Delete chroma/notebooks

chroma/notebooks/.cif

@@ -1,1464 +0,0 @@
-data_GNR8
-#
-_entry.id   system
-#
-loop_
-_entity.id 
-_entity.type 
-_entity.pdbx_description 
-_entity.pdbx_number_of_molecules 
-1 polymer 'chain A' 1
-#
-loop_
-_entity_poly_seq.entity_id 
-_entity_poly_seq.num 
-_entity_poly_seq.mon_id 
-_entity_poly_seq.hetero 
-1 1 MET n
-1 2 ARG n
-1 3 ILE n
-1 4 GLU n
-1 5 ALA n
-1 6 ARG n
-1 7 THR n
-1 8 PRO n
-1 9 GLU n
-1 10 ALA n
-1 11 ALA n
-1 12 ARG n
-1 13 ARG n
-1 14 ALA n
-1 15 VAL n
-1 16 ASP n
-1 17 LEU n
-1 18 ALA n
-1 19 ILE n
-1 20 LYS n
-1 21 LEU n
-1 22 LYS n
-1 23 GLU n
-1 24 LYS n
-1 25 GLY n
-1 26 TYR n
-1 27 GLU n
-1 28 VAL n
-1 29 LEU n
-1 30 LEU n
-1 31 VAL n
-1 32 LEU n
-1 33 ILE n
-1 34 GLY n
-1 35 ASP n
-1 36 PRO n
-1 37 SER n
-1 38 ASN n
-1 39 PRO n
-1 40 GLU n
-1 41 LEU n
-1 42 LEU n
-1 43 GLU n
-1 44 ILE n
-1 45 ALA n
-1 46 ARG n
-1 47 ARG n
-1 48 LEU n
-1 49 ALA n
-1 50 GLU n
-1 51 ALA n
-1 52 GLY n
-1 53 ALA n
-1 54 LYS n
-1 55 ILE n
-1 56 ARG n
-1 57 VAL n
-1 58 ILE n
-1 59 ALA n
-1 60 LEU n
-1 61 VAL n
-1 62 ASP n
-1 63 ASP n
-1 64 SER n
-1 65 PRO n
-1 66 GLU n
-1 67 ALA n
-1 68 GLN n
-1 69 ALA n
-1 70 GLY n
-1 71 VAL n
-1 72 GLU n
-1 73 ARG n
-1 74 LEU n
-1 75 ARG n
-1 76 GLN n
-1 77 VAL n
-1 78 CYS n
-1 79 GLU n
-1 80 GLU n
-1 81 LEU n
-1 82 ARG n
-1 83 GLU n
-1 84 LYS n
-1 85 GLY n
-1 86 ALA n
-1 87 ASP n
-1 88 VAL n
-1 89 GLU n
-1 90 LEU n
-1 91 ASP n
-1 92 VAL n
-1 93 ILE n
-1 94 THR n
-1 95 ALA n
-1 96 PRO n
-1 97 LEU n
-1 98 ASP n
-1 99 ASP n
-1 100 PRO n
-1 101 GLU n
-1 102 ALA n
-1 103 GLN n
-1 104 GLN n
-1 105 ARG n
-1 106 ALA n
-1 107 ARG n
-1 108 GLU n
-1 109 LEU n
-1 110 ALA n
-1 111 GLU n
-1 112 LYS n
-1 113 TYR n
-1 114 ILE n
-1 115 SER n
-1 116 GLU n
-1 117 GLY n
-1 118 GLU n
-1 119 GLU n
-1 120 GLU n
-1 121 ALA n
-1 122 LYS n
-1 123 LYS n
-1 124 LYS n
-1 125 ASN n
-1 126 LYS n
-1 127 PRO n
-1 128 PHE n
-1 129 ILE n
-1 130 LEU n
-1 131 ILE n
-1 132 LEU n
-1 133 VAL n
-1 134 ARG n
-1 135 PRO n
-1 136 SER n
-1 137 THR n
-1 138 ASP n
-1 139 GLU n
-1 140 GLU n
-1 141 GLU n
-1 142 ALA n
-1 143 GLN n
-1 144 ARG n
-1 145 GLU n
-1 146 ALA n
-1 147 ASP n
-1 148 GLU n
-1 149 ALA n
-1 150 GLU n
-1 151 LYS n
-1 152 LYS n
-1 153 ILE n
-1 154 GLU n
-1 155 GLU n
-1 156 TYR n
-1 157 LEU n
-1 158 LYS n
-1 159 SER n
-1 160 LEU n
-#
-loop_
-_entity_poly.entity_id 
-_entity_poly.type 
-1 polypeptide(L)
-#
-loop_
-_atom_site.group_PDB 
-_atom_site.id 
-_atom_site.label_atom_id 
-_atom_site.label_alt_id 
-_atom_site.label_comp_id 
-_atom_site.label_asym_id 
-_atom_site.label_entity_id 
-_atom_site.label_seq_id 
-_atom_site.pdbx_PDB_ins_code 
-_atom_site.Cartn_x 
-_atom_site.Cartn_y 
-_atom_site.Cartn_z 
-_atom_site.occupancy 
-_atom_site.B_iso_or_equiv 
-_atom_site.pdbx_PDB_model_num 
-_atom_site.auth_seq_id 
-_atom_site.auth_asym_id 
-ATOM 1 N . MET A 1 1 . 9.86662 10.8696 1.77786 1 0 0 1 A
-ATOM 2 CA . MET A 1 1 . 10.5548 9.82069 0.960829 1 0 0 1 A
-ATOM 3 C . MET A 1 1 . 9.53969 8.72122 0.611796 1 0 0 1 A
-ATOM 4 O . MET A 1 1 . 8.76264 8.29311 1.46204 1 0 0 1 A
-ATOM 5 CB . MET A 1 1 . 11.7709 9.25789 1.73973 1 0 0 1 A
-ATOM 6 CG . MET A 1 1 . 12.6448 8.22799 0.979378 1 0 0 1 A
-ATOM 7 SD . MET A 1 1 . 13.4954 9.03009 -0.415436 1 0 0 1 A
-ATOM 8 CE . MET A 1 1 . 14.2128 7.55143 -1.19732 1 0 0 1 A
-ATOM 9 N . ARG A 1 2 . 9.57918 8.27518 -0.637448 1 0 0 2 A
-ATOM 10 CA . ARG A 1 2 . 8.65245 7.2685 -1.1492 1 0 0 2 A
-ATOM 11 C . ARG A 1 2 . 9.37923 5.95788 -1.38684 1 0 0 2 A
-ATOM 12 O . ARG A 1 2 . 10.4848 5.95374 -1.9524 1 0 0 2 A
-ATOM 13 CB . ARG A 1 2 . 7.9366 7.78865 -2.43395 1 0 0 2 A
-ATOM 14 CG . ARG A 1 2 . 6.95546 8.97147 -2.23196 1 0 0 2 A
-ATOM 15 CD . ARG A 1 2 . 6.48027 9.62254 -3.54417 1 0 0 2 A
-ATOM 16 NE . ARG A 1 2 . 5.37052 10.5678 -3.19064 1 0 0 2 A
-ATOM 17 CZ . ARG A 1 2 . 4.07779 10.292 -3.41067 1 0 0 2 A
-ATOM 18 NH1 . ARG A 1 2 . 3.77346 9.12381 -3.96881 1 0 0 2 A
-ATOM 19 NH2 . ARG A 1 2 . 3.1064 11.1325 -3.06576 1 0 0 2 A
-ATOM 20 N . ILE A 1 3 . 8.78165 4.8666 -0.944303 1 0 0 3 A
-ATOM 21 CA . ILE A 1 3 . 9.29611 3.52131 -1.15042 1 0 0 3 A
-ATOM 22 C . ILE A 1 3 . 8.19835 2.64138 -1.72 1 0 0 3 A
-ATOM 23 O . ILE A 1 3 . 7.09857 2.5733 -1.15659 1 0 0 3 A
-ATOM 24 CB . ILE A 1 3 . 9.91562 2.94694 0.172911 1 0 0 3 A
-ATOM 25 CG1 . ILE A 1 3 . 11.1036 3.78137 0.716031 1 0 0 3 A
-ATOM 26 CG2 . ILE A 1 3 . 10.2476 1.43434 0.1069 1 0 0 3 A
-ATOM 27 CD1 . ILE A 1 3 . 11.549 3.38982 2.13726 1 0 0 3 A
-ATOM 28 N . GLU A 1 4 . 8.48734 1.9687 -2.83548 1 0 0 4 A
-ATOM 29 CA . GLU A 1 4 . 7.51572 1.1202 -3.51302 1 0 0 4 A
-ATOM 30 C . GLU A 1 4 . 7.88734 -0.347253 -3.33608 1 0 0 4 A
-ATOM 31 O . GLU A 1 4 . 9.05921 -0.727482 -3.48861 1 0 0 4 A
-ATOM 32 CB . GLU A 1 4 . 7.43846 1.51565 -5.00973 1 0 0 4 A
-ATOM 33 CG . GLU A 1 4 . 7.00924 2.98726 -5.2991 1 0 0 4 A
-ATOM 34 CD . GLU A 1 4 . 6.77959 3.33491 -6.77128 1 0 0 4 A
-ATOM 35 OE1 . GLU A 1 4 . 6.70805 2.34472 -7.54716 1 0 0 4 A
-ATOM 36 OE2 . GLU A 1 4 . 6.69444 4.53025 -7.12683 1 0 0 4 A
-ATOM 37 N . ALA A 1 5 . 6.88808 -1.16879 -3.01861 1 0 0 5 A
-ATOM 38 CA . ALA A 1 5 . 7.03838 -2.61324 -2.91861 1 0 0 5 A
-ATOM 39 C . ALA A 1 5 . 5.97338 -3.26549 -3.77673 1 0 0 5 A
-ATOM 40 O . ALA A 1 5 . 4.80475 -2.87305 -3.74101 1 0 0 5 A
-ATOM 41 CB . ALA A 1 5 . 6.94781 -3.10143 -1.45028 1 0 0 5 A
-ATOM 42 N . ARG A 1 6 . 6.37574 -4.27538 -4.54905 1 0 0 6 A
-ATOM 43 CA . ARG A 1 6 . 5.48203 -4.96919 -5.46834 1 0 0 6 A
-ATOM 44 C . ARG A 1 6 . 5.09999 -6.35608 -4.96964 1 0 0 6 A
-ATOM 45 O . ARG A 1 6 . 4.42796 -7.09915 -5.70049 1 0 0 6 A
-ATOM 46 CB . ARG A 1 6 . 6.13202 -5.00923 -6.88591 1 0 0 6 A
-ATOM 47 CG . ARG A 1 6 . 6.39518 -3.63389 -7.55049 1 0 0 6 A
-ATOM 48 CD . ARG A 1 6 . 7.15101 -3.71935 -8.88953 1 0 0 6 A
-ATOM 49 NE . ARG A 1 6 . 7.38342 -2.31251 -9.35511 1 0 0 6 A
-ATOM 50 CZ . ARG A 1 6 . 8.38193 -1.54615 -8.89546 1 0 0 6 A
-ATOM 51 NH1 . ARG A 1 6 . 9.2002 -2.0649 -7.98429 1 0 0 6 A
-ATOM 52 NH2 . ARG A 1 6 . 8.58733 -0.309736 -9.3404 1 0 0 6 A
-ATOM 53 N . THR A 1 7 . 5.4953 -6.72411 -3.75558 1 0 0 7 A
-ATOM 54 CA . THR A 1 7 . 5.18529 -8.03999 -3.20298 1 0 0 7 A
-ATOM 55 C . THR A 1 7 . 4.85782 -7.92135 -1.7251 1 0 0 7 A
-ATOM 56 O . THR A 1 7 . 5.27079 -6.97073 -1.04978 1 0 0 7 A
-ATOM 57 CB . THR A 1 7 . 6.31377 -9.09258 -3.49193 1 0 0 7 A
-ATOM 58 OG1 . THR A 1 7 . 7.45105 -8.91051 -2.64437 1 0 0 7 A
-ATOM 59 CG2 . THR A 1 7 . 6.81723 -9.15373 -4.93543 1 0 0 7 A
-ATOM 60 N . PRO A 1 8 . 4.12166 -8.91182 -1.2292 1 0 0 8 A
-ATOM 61 CA . PRO A 1 8 . 3.76147 -8.94543 0.186206 1 0 0 8 A
-ATOM 62 C . PRO A 1 8 . 5.00625 -8.88767 1.06927 1 0 0 8 A
-ATOM 63 O . PRO A 1 8 . 5.08295 -8.08401 2.00423 1 0 0 8 A
-ATOM 64 CB . PRO A 1 8 . 3.03437 -10.297 0.313011 1 0 0 8 A
-ATOM 65 CG . PRO A 1 8 . 2.54764 -10.6015 -1.10519 1 0 0 8 A
-ATOM 66 CD . PRO A 1 8 . 3.67632 -10.0614 -1.9857 1 0 0 8 A
-ATOM 67 N . GLU A 1 9 . 6.0081 -9.71792 0.762127 1 0 0 9 A
-ATOM 68 CA . GLU A 1 9 . 7.22885 -9.71382 1.55787 1 0 0 9 A
-ATOM 69 C . GLU A 1 9 . 7.91684 -8.35766 1.51414 1 0 0 9 A
-ATOM 70 O . GLU A 1 9 . 8.38095 -7.83884 2.54076 1 0 0 9 A
-ATOM 71 CB . GLU A 1 9 . 8.15881 -10.8451 1.05015 1 0 0 9 A
-ATOM 72 CG . GLU A 1 9 . 9.58907 -10.8752 1.67229 1 0 0 9 A
-ATOM 73 CD . GLU A 1 9 . 10.5015 -12.0028 1.18563 1 0 0 9 A
-ATOM 74 OE1 . GLU A 1 9 . 9.91331 -12.9429 0.587536 1 0 0 9 A
-ATOM 75 OE2 . GLU A 1 9 . 11.7308 -11.9538 1.40721 1 0 0 9 A
-ATOM 76 N . ALA A 1 10 . 7.99331 -7.76512 0.322255 1 0 0 10 A
-ATOM 77 CA . ALA A 1 10 . 8.58855 -6.42859 0.21269 1 0 0 10 A
-ATOM 78 C . ALA A 1 10 . 7.81497 -5.37963 0.984886 1 0 0 10 A
-ATOM 79 O . ALA A 1 10 . 8.397 -4.48016 1.59717 1 0 0 10 A
-ATOM 80 CB . ALA A 1 10 . 8.71435 -6.04051 -1.28266 1 0 0 10 A
-ATOM 81 N . ALA A 1 11 . 6.48325 -5.46691 0.968436 1 0 0 11 A
-ATOM 82 CA . ALA A 1 11 . 5.67803 -4.52279 1.74006 1 0 0 11 A
-ATOM 83 C . ALA A 1 11 . 5.93785 -4.67852 3.2331 1 0 0 11 A
-ATOM 84 O . ALA A 1 11 . 6.04886 -3.68173 3.95931 1 0 0 11 A
-ATOM 85 CB . ALA A 1 11 . 4.17342 -4.70269 1.41403 1 0 0 11 A
-ATOM 86 N . ARG A 1 12 . 6.04896 -5.91996 3.70938 1 0 0 12 A
-ATOM 87 CA . ARG A 1 12 . 6.34781 -6.145 5.12361 1 0 0 12 A
-ATOM 88 C . ARG A 1 12 . 7.69243 -5.51846 5.49587 1 0 0 12 A
-ATOM 89 O . ARG A 1 12 . 7.82087 -4.87532 6.54361 1 0 0 12 A
-ATOM 90 CB . ARG A 1 12 . 6.2951 -7.66924 5.45149 1 0 0 12 A
-ATOM 91 CG . ARG A 1 12 . 6.40492 -8.04457 6.95135 1 0 0 12 A
-ATOM 92 CD . ARG A 1 12 . 6.15644 -9.53597 7.24389 1 0 0 12 A
-ATOM 93 NE . ARG A 1 12 . 4.74938 -9.83949 6.82195 1 0 0 12 A
-ATOM 94 CZ . ARG A 1 12 . 4.45243 -10.5499 5.72527 1 0 0 12 A
-ATOM 95 NH1 . ARG A 1 12 . 5.45804 -11.0031 4.98215 1 0 0 12 A
-ATOM 96 NH2 . ARG A 1 12 . 3.19851 -10.831 5.38232 1 0 0 12 A
-ATOM 97 N . ARG A 1 13 . 8.70581 -5.70427 4.64578 1 0 0 13 A
-ATOM 98 CA . ARG A 1 13 . 10.0011 -5.11533 4.91978 1 0 0 13 A
-ATOM 99 C . ARG A 1 13 . 9.93128 -3.59559 4.92396 1 0 0 13 A
-ATOM 100 O . ARG A 1 13 . 10.5584 -2.93753 5.76599 1 0 0 13 A
-ATOM 101 CB . ARG A 1 13 . 11.0531 -5.6558 3.90262 1 0 0 13 A
-ATOM 102 CG . ARG A 1 13 . 11.3267 -7.18054 3.95555 1 0 0 13 A
-ATOM 103 CD . ARG A 1 13 . 12.3791 -7.66394 2.94045 1 0 0 13 A
-ATOM 104 NE . ARG A 1 13 . 12.5006 -9.1499 3.10528 1 0 0 13 A
-ATOM 105 CZ . ARG A 1 13 . 13.3322 -9.72183 3.98678 1 0 0 13 A
-ATOM 106 NH1 . ARG A 1 13 . 14.0809 -8.92768 4.74681 1 0 0 13 A
-ATOM 107 NH2 . ARG A 1 13 . 13.4062 -11.0413 4.13644 1 0 0 13 A
-ATOM 108 N . ALA A 1 14 . 9.17642 -3.00689 3.99454 1 0 0 14 A
-ATOM 109 CA . ALA A 1 14 . 9.06166 -1.55217 3.96718 1 0 0 14 A
-ATOM 110 C . ALA A 1 14 . 8.31725 -1.03809 5.19233 1 0 0 14 A
-ATOM 111 O . ALA A 1 14 . 8.67671 -0.00264808 5.75979 1 0 0 14 A
-ATOM 112 CB . ALA A 1 14 . 8.3691 -1.09087 2.65949 1 0 0 14 A
-ATOM 113 N . VAL A 1 15 . 7.26489 -1.74787 5.61271 1 0 0 15 A
-ATOM 114 CA . VAL A 1 15 . 6.53816 -1.33755 6.81629 1 0 0 15 A
-ATOM 115 C . VAL A 1 15 . 7.43937 -1.41618 8.04359 1 0 0 15 A
-ATOM 116 O . VAL A 1 15 . 7.3909 -0.537647 8.91986 1 0 0 15 A
-ATOM 117 CB . VAL A 1 15 . 5.25018 -2.21645 6.99948 1 0 0 15 A
-ATOM 118 CG1 . VAL A 1 15 . 4.60765 -2.10171 8.39432 1 0 0 15 A
-ATOM 119 CG2 . VAL A 1 15 . 4.1793 -1.90667 5.93701 1 0 0 15 A
-ATOM 120 N . ASP A 1 16 . 8.25756 -2.46109 8.13784 1 0 0 16 A
-ATOM 121 CA . ASP A 1 16 . 9.18892 -2.56952 9.24691 1 0 0 16 A
-ATOM 122 C . ASP A 1 16 . 10.2071 -1.42306 9.23654 1 0 0 16 A
-ATOM 123 O . ASP A 1 16 . 10.5605 -0.871968 10.2939 1 0 0 16 A
-ATOM 124 CB . ASP A 1 16 . 9.82955 -3.99093 9.19414 1 0 0 16 A
-ATOM 125 CG . ASP A 1 16 . 8.89526 -5.07232 9.7119 1 0 0 16 A
-ATOM 126 OD1 . ASP A 1 16 . 7.93385 -4.72106 10.4467 1 0 0 16 A
-ATOM 127 OD2 . ASP A 1 16 . 9.23269 -6.26341 9.53888 1 0 0 16 A
-ATOM 128 N . LEU A 1 17 . 10.6698 -1.04162 8.04524 1 0 0 17 A
-ATOM 129 CA . LEU A 1 17 . 11.5602 0.10168 7.94263 1 0 0 17 A
-ATOM 130 C . LEU A 1 17 . 10.8698 1.39438 8.3413 1 0 0 17 A
-ATOM 131 O . LEU A 1 17 . 11.4489 2.23867 9.02581 1 0 0 17 A
-ATOM 132 CB . LEU A 1 17 . 12.1066 0.154812 6.4931 1 0 0 17 A
-ATOM 133 CG . LEU A 1 17 . 13.0712 1.31401 6.1349 1 0 0 17 A
-ATOM 134 CD1 . LEU A 1 17 . 14.3723 1.20411 6.95141 1 0 0 17 A
-ATOM 135 CD2 . LEU A 1 17 . 13.4626 1.31838 4.64549 1 0 0 17 A
-ATOM 136 N . ALA A 1 18 . 9.63282 1.56889 7.90722 1 0 0 18 A
-ATOM 137 CA . ALA A 1 18 . 8.84133 2.7397 8.29803 1 0 0 18 A
-ATOM 138 C . ALA A 1 18 . 8.67978 2.80036 9.81245 1 0 0 18 A
-ATOM 139 O . ALA A 1 18 . 8.75789 3.87946 10.4133 1 0 0 18 A
-ATOM 140 CB . ALA A 1 18 . 7.46248 2.72503 7.59018 1 0 0 18 A
-ATOM 141 N . ILE A 1 19 . 8.40101 1.65163 10.4319 1 0 0 19 A
-ATOM 142 CA . ILE A 1 19 . 8.28323 1.6214 11.8891 1 0 0 19 A
-ATOM 143 C . ILE A 1 19 . 9.60196 2.00363 12.567 1 0 0 19 A
-ATOM 144 O . ILE A 1 19 . 9.60655 2.71309 13.5779 1 0 0 19 A
-ATOM 145 CB . ILE A 1 19 . 7.74152 0.221885 12.3505 1 0 0 19 A
-ATOM 146 CG1 . ILE A 1 19 . 6.27615 -0.0485433 11.9238 1 0 0 19 A
-ATOM 147 CG2 . ILE A 1 19 . 7.97631 -0.0790987 13.8527 1 0 0 19 A
-ATOM 148 CD1 . ILE A 1 19 . 5.8848 -1.53798 11.9284 1 0 0 19 A
-ATOM 149 N . LYS A 1 20 . 10.7322 1.52939 12.0304 1 0 0 20 A
-ATOM 150 CA . LYS A 1 20 . 12.022 1.93205 12.5692 1 0 0 20 A
-ATOM 151 C . LYS A 1 20 . 12.2276 3.43779 12.451 1 0 0 20 A
-ATOM 152 O . LYS A 1 20 . 12.7329 4.07766 13.3829 1 0 0 20 A
-ATOM 153 CB . LYS A 1 20 . 13.1533 1.14496 11.8384 1 0 0 20 A
-ATOM 154 CG . LYS A 1 20 . 13.3391 -0.320086 12.2751 1 0 0 20 A
-ATOM 155 CD . LYS A 1 20 . 14.5425 -1.00749 11.6036 1 0 0 20 A
-ATOM 156 CE . LYS A 1 20 . 14.8064 -2.4032 12.1721 1 0 0 20 A
-ATOM 157 NZ . LYS A 1 20 . 15.985 -2.99491 11.5458 1 0 0 20 A
-ATOM 158 N . LEU A 1 21 . 11.8031 4.02618 11.3343 1 0 0 21 A
-ATOM 159 CA . LEU A 1 21 . 11.9192 5.47012 11.1756 1 0 0 21 A
-ATOM 160 C . LEU A 1 21 . 10.9769 6.19143 12.1464 1 0 0 21 A
-ATOM 161 O . LEU A 1 21 . 11.3641 7.19453 12.7728 1 0 0 21 A
-ATOM 162 CB . LEU A 1 21 . 11.6268 5.83627 9.69807 1 0 0 21 A
-ATOM 163 CG . LEU A 1 21 . 12.583 5.26847 8.61834 1 0 0 21 A
-ATOM 164 CD1 . LEU A 1 21 . 12.0601 5.59883 7.20802 1 0 0 21 A
-ATOM 165 CD2 . LEU A 1 21 . 14.0067 5.84551 8.72714 1 0 0 21 A
-ATOM 166 N . LYS A 1 22 . 9.75279 5.67945 12.2946 1 0 0 22 A
-ATOM 167 CA . LYS A 1 22 . 8.82154 6.27174 13.2463 1 0 0 22 A
-ATOM 168 C . LYS A 1 22 . 9.40231 6.31824 14.6453 1 0 0 22 A
-ATOM 169 O . LYS A 1 22 . 9.23845 7.30868 15.3759 1 0 0 22 A
-ATOM 170 CB . LYS A 1 22 . 7.48241 5.47221 13.2132 1 0 0 22 A
-ATOM 171 CG . LYS A 1 22 . 6.3547 6.01814 14.1087 1 0 0 22 A
-ATOM 172 CD . LYS A 1 22 . 5.05253 5.20153 14.0134 1 0 0 22 A
-ATOM 173 CE . LYS A 1 22 . 3.97356 5.71423 14.9694 1 0 0 22 A
-ATOM 174 NZ . LYS A 1 22 . 3.55286 7.05976 14.5897 1 0 0 22 A
-ATOM 175 N . GLU A 1 23 . 10.0803 5.24567 15.0548 1 0 0 23 A
-ATOM 176 CA . GLU A 1 23 . 10.7303 5.20399 16.3875 1 0 0 23 A
-ATOM 177 C . GLU A 1 23 . 11.7872 6.29431 16.5049 1 0 0 23 A
-ATOM 178 O . GLU A 1 23 . 12.1557 6.63874 17.6587 1 0 0 23 A
-ATOM 179 CB . GLU A 1 23 . 11.3328 3.79438 16.6166 1 0 0 23 A
-ATOM 180 CG . GLU A 1 23 . 10.3005 2.63889 16.7975 1 0 0 23 A
-ATOM 181 CD . GLU A 1 23 . 10.8915 1.23254 16.915 1 0 0 23 A
-ATOM 182 OE1 . GLU A 1 23 . 12.0905 1.12617 16.5427 1 0 0 23 A
-ATOM 183 OE2 . GLU A 1 23 . 10.1875 0.290543 17.3388 1 0 0 23 A
-ATOM 184 N . LYS A 1 24 . 12.3132 6.81066 15.3938 1 0 0 24 A
-ATOM 185 CA . LYS A 1 24 . 13.3001 7.87839 15.4305 1 0 0 24 A
-ATOM 186 C . LYS A 1 24 . 12.6924 9.25275 15.1684 1 0 0 24 A
-ATOM 187 O . LYS A 1 24 . 13.4553 10.2053 14.9236 1 0 0 24 A
-ATOM 188 CB . LYS A 1 24 . 14.4245 7.54853 14.4007 1 0 0 24 A
-ATOM 189 CG . LYS A 1 24 . 15.3264 6.35157 14.7549 1 0 0 24 A
-ATOM 190 CD . LYS A 1 24 . 16.5319 6.19699 13.8092 1 0 0 24 A
-ATOM 191 CE . LYS A 1 24 . 17.5028 5.11132 14.2777 1 0 0 24 A
-ATOM 192 NZ . LYS A 1 24 . 18.6862 5.08153 13.4231 1 0 0 24 A
-ATOM 193 N . GLY A 1 25 . 11.3684 9.36577 15.1946 1 0 0 25 A
-ATOM 194 CA . GLY A 1 25 . 10.6929 10.6391 15.1033 1 0 0 25 A
-ATOM 195 C . GLY A 1 25 . 10.073 10.9538 13.7731 1 0 0 25 A
-ATOM 196 O . GLY A 1 25 . 9.66891 12.1187 13.556 1 0 0 25 A
-ATOM 197 N . TYR A 1 26 . 9.98783 9.98694 12.8698 1 0 0 26 A
-ATOM 198 CA . TYR A 1 26 . 9.38042 10.1772 11.5675 1 0 0 26 A
-ATOM 199 C . TYR A 1 26 . 7.97864 9.59019 11.5203 1 0 0 26 A
-ATOM 200 O . TYR A 1 26 . 7.68998 8.57446 12.1652 1 0 0 26 A
-ATOM 201 CB . TYR A 1 26 . 10.3174 9.56299 10.482 1 0 0 26 A
-ATOM 202 CG . TYR A 1 26 . 11.6067 10.3309 10.3146 1 0 0 26 A
-ATOM 203 CD1 . TYR A 1 26 . 12.6318 10.2262 11.277 1 0 0 26 A
-ATOM 204 CD2 . TYR A 1 26 . 11.774 11.2199 9.23298 1 0 0 26 A
-ATOM 205 CE1 . TYR A 1 26 . 13.7871 11.0098 11.1696 1 0 0 26 A
-ATOM 206 CE2 . TYR A 1 26 . 12.9283 12.0052 9.12903 1 0 0 26 A
-ATOM 207 CZ . TYR A 1 26 . 13.9334 11.9017 10.1005 1 0 0 26 A
-ATOM 208 OH . TYR A 1 26 . 15.0862 12.7094 10.0187 1 0 0 26 A
-ATOM 209 N . GLU A 1 27 . 7.10077 10.2299 10.7559 1 0 0 27 A
-ATOM 210 CA . GLU A 1 27 . 5.75467 9.71459 10.5337 1 0 0 27 A
-ATOM 211 C . GLU A 1 27 . 5.70757 8.85634 9.28462 1 0 0 27 A
-ATOM 212 O . GLU A 1 27 . 6.38639 9.13795 8.29857 1 0 0 27 A
-ATOM 213 CB . GLU A 1 27 . 4.76256 10.9026 10.4508 1 0 0 27 A
-ATOM 214 CG . GLU A 1 27 . 4.63895 11.7717 11.7404 1 0 0 27 A
-ATOM 215 CD . GLU A 1 27 . 4.04942 11.0658 12.9631 1 0 0 27 A
-ATOM 216 OE1 . GLU A 1 27 . 3.25213 10.1257 12.702 1 0 0 27 A
-ATOM 217 OE2 . GLU A 1 27 . 4.35585 11.4454 14.1139 1 0 0 27 A
-ATOM 218 N . VAL A 1 28 . 4.90228 7.79965 9.34145 1 0 0 28 A
-ATOM 219 CA . VAL A 1 28 . 4.80416 6.83298 8.25419 1 0 0 28 A
-ATOM 220 C . VAL A 1 28 . 3.37068 6.75596 7.75199 1 0 0 28 A
-ATOM 221 O . VAL A 1 28 . 2.42994 6.63602 8.55219 1 0 0 28 A
-ATOM 222 CB . VAL A 1 28 . 5.32029 5.42484 8.71859 1 0 0 28 A
-ATOM 223 CG1 . VAL A 1 28 . 5.16828 4.32099 7.65557 1 0 0 28 A
-ATOM 224 CG2 . VAL A 1 28 . 6.78952 5.46699 9.17812 1 0 0 28 A
-ATOM 225 N . LEU A 1 29 . 3.20966 6.82634 6.43537 1 0 0 29 A
-ATOM 226 CA . LEU A 1 29 . 1.93212 6.60275 5.77136 1 0 0 29 A
-ATOM 227 C . LEU A 1 29 . 2.09286 5.43283 4.81195 1 0 0 29 A
-ATOM 228 O . LEU A 1 29 . 3.02652 5.41186 4.00212 1 0 0 29 A
-ATOM 229 CB . LEU A 1 29 . 1.47826 7.89482 5.04536 1 0 0 29 A
-ATOM 230 CG . LEU A 1 29 . 0.26675 7.78685 4.08459 1 0 0 29 A
-ATOM 231 CD1 . LEU A 1 29 . -0.992902 7.34631 4.85323 1 0 0 29 A
-ATOM 232 CD2 . LEU A 1 29 . -0.0607937 9.12368 3.39381 1 0 0 29 A
-ATOM 233 N . LEU A 1 30 . 1.18608 4.46163 4.90608 1 0 0 30 A
-ATOM 234 CA . LEU A 1 30 . 1.24479 3.24343 4.10015 1 0 0 30 A
-ATOM 235 C . LEU A 1 30 . 0.0397279 3.20807 3.16853 1 0 0 30 A
-ATOM 236 O . LEU A 1 30 . -1.10898 3.28263 3.62787 1 0 0 30 A
-ATOM 237 CB . LEU A 1 30 . 1.29922 2.00545 5.03124 1 0 0 30 A
-ATOM 238 CG . LEU A 1 30 . 1.33001 0.608048 4.3613 1 0 0 30 A
-ATOM 239 CD1 . LEU A 1 30 . 2.62939 0.42552 3.55514 1 0 0 30 A
-ATOM 240 CD2 . LEU A 1 30 . 1.25972 -0.540038 5.38529 1 0 0 30 A
-ATOM 241 N . VAL A 1 31 . 0.301547 3.09439 1.86985 1 0 0 31 A
-ATOM 242 CA . VAL A 1 31 . -0.738376 2.96073 0.852813 1 0 0 31 A
-ATOM 243 C . VAL A 1 31 . -0.666225 1.55474 0.272467 1 0 0 31 A
-ATOM 244 O . VAL A 1 31 . 0.35569 1.17483 -0.31592 1 0 0 31 A
-ATOM 245 CB . VAL A 1 31 . -0.588186 4.04767 -0.270087 1 0 0 31 A
-ATOM 246 CG1 . VAL A 1 31 . -1.6085 3.90928 -1.41526 1 0 0 31 A
-ATOM 247 CG2 . VAL A 1 31 . -0.669983 5.47908 0.292028 1 0 0 31 A
-ATOM 248 N . LEU A 1 32 . -1.73882 0.787879 0.439311 1 0 0 32 A
-ATOM 249 CA . LEU A 1 32 . -1.81596 -0.581377 -0.0602142 1 0 0 32 A
-ATOM 250 C . LEU A 1 32 . -2.79512 -0.609563 -1.22732 1 0 0 32 A
-ATOM 251 O . LEU A 1 32 . -3.98479 -0.296292 -1.05864 1 0 0 32 A
-ATOM 252 CB . LEU A 1 32 . -2.24154 -1.53892 1.08193 1 0 0 32 A
-ATOM 253 CG . LEU A 1 32 . -1.36228 -1.56443 2.35815 1 0 0 32 A
-ATOM 254 CD1 . LEU A 1 32 . -1.98612 -2.48447 3.42396 1 0 0 32 A
-ATOM 255 CD2 . LEU A 1 32 . 0.0628155 -2.07968 2.0839 1 0 0 32 A
-ATOM 256 N . ILE A 1 33 . -2.30716 -0.985096 -2.40664 1 0 0 33 A
-ATOM 257 CA . ILE A 1 33 . -3.11087 -1.04667 -3.62431 1 0 0 33 A
-ATOM 258 C . ILE A 1 33 . -3.17595 -2.49051 -4.08916 1 0 0 33 A
-ATOM 259 O . ILE A 1 33 . -2.13608 -3.13578 -4.27811 1 0 0 33 A
-ATOM 260 CB . ILE A 1 33 . -2.56102 -0.0733509 -4.72668 1 0 0 33 A
-ATOM 261 CG1 . ILE A 1 33 . -2.35634 1.37945 -4.2267 1 0 0 33 A
-ATOM 262 CG2 . ILE A 1 33 . -3.34847 -0.125311 -6.06074 1 0 0 33 A
-ATOM 263 CD1 . ILE A 1 33 . -1.56786 2.27429 -5.20095 1 0 0 33 A
-ATOM 264 N . GLY A 1 34 . -4.38785 -2.99217 -4.28135 1 0 0 34 A
-ATOM 265 CA . GLY A 1 34 . -4.6018 -4.33924 -4.76465 1 0 0 34 A
-ATOM 266 C . GLY A 1 34 . -5.84829 -4.94217 -4.15708 1 0 0 34 A
-ATOM 267 O . GLY A 1 34 . -6.66637 -4.24382 -3.54858 1 0 0 34 A
-ATOM 268 N . ASP A 1 35 . -5.97355 -6.25159 -4.32081 1 0 0 35 A
-ATOM 269 CA . ASP A 1 35 . -7.13938 -6.96532 -3.8125 1 0 0 35 A
-ATOM 270 C . ASP A 1 35 . -7.07899 -7.04537 -2.28758 1 0 0 35 A
-ATOM 271 O . ASP A 1 35 . -6.17688 -7.67621 -1.72908 1 0 0 35 A
-ATOM 272 CB . ASP A 1 35 . -7.22141 -8.353 -4.52047 1 0 0 35 A
-ATOM 273 CG . ASP A 1 35 . -8.46238 -9.13732 -4.12646 1 0 0 35 A
-ATOM 274 OD1 . ASP A 1 35 . -9.06706 -8.79807 -3.07438 1 0 0 35 A
-ATOM 275 OD2 . ASP A 1 35 . -8.7108 -10.1873 -4.75751 1 0 0 35 A
-ATOM 276 N . PRO A 1 36 . -8.0428 -6.41628 -1.6263 1 0 0 36 A
-ATOM 277 CA . PRO A 1 36 . -8.05834 -6.36898 -0.168266 1 0 0 36 A
-ATOM 278 C . PRO A 1 36 . -8.20849 -7.75448 0.456676 1 0 0 36 A
-ATOM 279 O . PRO A 1 36 . -7.91565 -7.92068 1.64676 1 0 0 36 A
-ATOM 280 CB . PRO A 1 36 . -9.28812 -5.4834 0.105556 1 0 0 36 A
-ATOM 281 CG . PRO A 1 36 . -10.1363 -5.60823 -1.16167 1 0 0 36 A
-ATOM 282 CD . PRO A 1 36 . -9.091 -5.6754 -2.27687 1 0 0 36 A
-ATOM 283 N . SER A 1 37 . -8.65092 -8.7495 -0.316343 1 0 0 37 A
-ATOM 284 CA . SER A 1 37 . -8.7297 -10.1086 0.17484 1 0 0 37 A
-ATOM 285 C . SER A 1 37 . -7.40398 -10.8133 0.330243 1 0 0 37 A
-ATOM 286 O . SER A 1 37 . -7.38232 -11.9361 0.834149 1 0 0 37 A
-ATOM 287 CB . SER A 1 37 . -9.70285 -10.9207 -0.734587 1 0 0 37 A
-ATOM 288 OG . SER A 1 37 . -9.11742 -11.2607 -1.99418 1 0 0 37 A
-ATOM 289 N . ASN A 1 38 . -6.29367 -10.1982 -0.0788474 1 0 0 38 A
-ATOM 290 CA . ASN A 1 38 . -4.98588 -10.8231 0.0349752 1 0 0 38 A
-ATOM 291 C . ASN A 1 38 . -4.55161 -10.8622 1.4986 1 0 0 38 A
-ATOM 292 O . ASN A 1 38 . -4.40179 -9.81279 2.13526 1 0 0 38 A
-ATOM 293 CB . ASN A 1 38 . -3.98926 -10.0428 -0.876909 1 0 0 38 A
-ATOM 294 CG . ASN A 1 38 . -2.58835 -10.654 -0.945939 1 0 0 38 A
-ATOM 295 OD1 . ASN A 1 38 . -1.99628 -11.0665 0.0501544 1 0 0 38 A
-ATOM 296 ND2 . ASN A 1 38 . -2.0203 -10.7032 -2.16962 1 0 0 38 A
-ATOM 297 N . PRO A 1 39 . -4.34246 -12.0765 2.02693 1 0 0 39 A
-ATOM 298 CA . PRO A 1 39 . -3.94744 -12.2094 3.42865 1 0 0 39 A
-ATOM 299 C . PRO A 1 39 . -2.64159 -11.4841 3.72201 1 0 0 39 A
-ATOM 300 O . PRO A 1 39 . -2.48242 -10.8915 4.79716 1 0 0 39 A
-ATOM 301 CB . PRO A 1 39 . -3.79852 -13.7349 3.57744 1 0 0 39 A
-ATOM 302 CG . PRO A 1 39 . -4.71647 -14.3136 2.49882 1 0 0 39 A
-ATOM 303 CD . PRO A 1 39 . -4.6866 -13.245 1.4042 1 0 0 39 A
-ATOM 304 N . GLU A 1 40 . -1.69094 -11.4959 2.78175 1 0 0 40 A
-ATOM 305 CA . GLU A 1 40 . -0.423418 -10.8139 3.0078 1 0 0 40 A
-ATOM 306 C . GLU A 1 40 . -0.617946 -9.31262 3.13861 1 0 0 40 A
-ATOM 307 O . GLU A 1 40 . 0.00665698 -8.66883 3.99636 1 0 0 40 A
-ATOM 308 CB . GLU A 1 40 . 0.547368 -11.1678 1.85243 1 0 0 40 A
-ATOM 309 CG . GLU A 1 40 . 1.06887 -12.6379 1.83362 1 0 0 40 A
-ATOM 310 CD . GLU A 1 40 . 2.09614 -12.9921 2.91072 1 0 0 40 A
-ATOM 311 OE1 . GLU A 1 40 . 2.77125 -12.0199 3.34268 1 0 0 40 A
-ATOM 312 OE2 . GLU A 1 40 . 2.22759 -14.1773 3.28555 1 0 0 40 A
-ATOM 313 N . LEU A 1 41 . -1.47738 -8.72169 2.30044 1 0 0 41 A
-ATOM 314 CA . LEU A 1 41 . -1.7512 -7.29586 2.38274 1 0 0 41 A
-ATOM 315 C . LEU A 1 41 . -2.44595 -6.93178 3.69393 1 0 0 41 A
-ATOM 316 O . LEU A 1 41 . -2.11486 -5.92607 4.32789 1 0 0 41 A
-ATOM 317 CB . LEU A 1 41 . -2.59263 -6.893 1.14493 1 0 0 41 A
-ATOM 318 CG . LEU A 1 41 . -1.90935 -6.98188 -0.243496 1 0 0 41 A
-ATOM 319 CD1 . LEU A 1 41 . -2.79944 -6.34034 -1.32413 1 0 0 41 A
-ATOM 320 CD2 . LEU A 1 41 . -0.549569 -6.25991 -0.280378 1 0 0 41 A
-ATOM 321 N . LEU A 1 42 . -3.41267 -7.75071 4.11208 1 0 0 42 A
-ATOM 322 CA . LEU A 1 42 . -4.09991 -7.49185 5.37327 1 0 0 42 A
-ATOM 323 C . LEU A 1 42 . -3.13025 -7.5526 6.54791 1 0 0 42 A
-ATOM 324 O . LEU A 1 42 . -3.18252 -6.70871 7.44896 1 0 0 42 A
-ATOM 325 CB . LEU A 1 42 . -5.25826 -8.51136 5.51933 1 0 0 42 A
-ATOM 326 CG . LEU A 1 42 . -6.59874 -8.17556 4.8173 1 0 0 42 A
-ATOM 327 CD1 . LEU A 1 42 . -6.42979 -8.21321 3.28706 1 0 0 42 A
-ATOM 328 CD2 . LEU A 1 42 . -7.7204 -9.16647 5.18005 1 0 0 42 A
-ATOM 329 N . GLU A 1 43 . -2.224 -8.52661 6.53099 1 0 0 43 A
-ATOM 330 CA . GLU A 1 43 . -1.22899 -8.64589 7.59844 1 0 0 43 A
-ATOM 331 C . GLU A 1 43 . -0.346235 -7.3968 7.63524 1 0 0 43 A
-ATOM 332 O . GLU A 1 43 . -0.0457435 -6.86848 8.70816 1 0 0 43 A
-ATOM 333 CB . GLU A 1 43 . -0.392348 -9.93318 7.38529 1 0 0 43 A
-ATOM 334 CG . GLU A 1 43 . 0.851695 -10.0925 8.31296 1 0 0 43 A
-ATOM 335 CD . GLU A 1 43 . 1.73326 -11.3125 8.03818 1 0 0 43 A
-ATOM 336 OE1 . GLU A 1 43 . 1.23581 -12.1625 7.25233 1 0 0 43 A
-ATOM 337 OE2 . GLU A 1 43 . 2.84873 -11.417 8.59252 1 0 0 43 A
-ATOM 338 N . ILE A 1 44 . 0.0894719 -6.929 6.46119 1 0 0 44 A
-ATOM 339 CA . ILE A 1 44 . 0.929804 -5.73743 6.40965 1 0 0 44 A
-ATOM 340 C . ILE A 1 44 . 0.1939 -4.5197 6.9636 1 0 0 44 A
-ATOM 341 O . ILE A 1 44 . 0.756819 -3.73562 7.73882 1 0 0 44 A
-ATOM 342 CB . ILE A 1 44 . 1.46252 -5.51809 4.94917 1 0 0 44 A
-ATOM 343 CG1 . ILE A 1 44 . 2.40247 -6.64697 4.4546 1 0 0 44 A
-ATOM 344 CG2 . ILE A 1 44 . 2.06275 -4.11027 4.70368 1 0 0 44 A
-ATOM 345 CD1 . ILE A 1 44 . 2.47126 -6.78133 2.92202 1 0 0 44 A
-ATOM 346 N . ALA A 1 45 . -1.06943 -4.34033 6.5686 1 0 0 45 A
-ATOM 347 CA . ALA A 1 45 . -1.85194 -3.20763 7.06659 1 0 0 45 A
-ATOM 348 C . ALA A 1 45 . -1.99871 -3.27162 8.58462 1 0 0 45 A
-ATOM 349 O . ALA A 1 45 . -1.85818 -2.26694 9.28075 1 0 0 45 A
-ATOM 350 CB . ALA A 1 45 . -3.23768 -3.16113 6.37373 1 0 0 45 A
-ATOM 351 N . ARG A 1 46 . -2.29935 -4.46562 9.10305 1 0 0 46 A
-ATOM 352 CA . ARG A 1 46 . -2.44489 -4.62177 10.5449 1 0 0 46 A
-ATOM 353 C . ARG A 1 46 . -1.14642 -4.25925 11.2548 1 0 0 46 A
-ATOM 354 O . ARG A 1 46 . -1.16463 -3.59834 12.3103 1 0 0 46 A
-ATOM 355 CB . ARG A 1 46 . -2.92261 -6.06659 10.8883 1 0 0 46 A
-ATOM 356 CG . ARG A 1 46 . -3.32829 -6.31421 12.3636 1 0 0 46 A
-ATOM 357 CD . ARG A 1 46 . -3.65492 -7.78437 12.6854 1 0 0 46 A
-ATOM 358 NE . ARG A 1 46 . -4.90458 -8.13323 11.9326 1 0 0 46 A
-ATOM 359 CZ . ARG A 1 46 . -6.13175 -7.81314 12.3653 1 0 0 46 A
-ATOM 360 NH1 . ARG A 1 46 . -6.23749 -7.15561 13.5165 1 0 0 46 A
-ATOM 361 NH2 . ARG A 1 46 . -7.22647 -8.10827 11.67 1 0 0 46 A
-ATOM 362 N . ARG A 1 47 . -0.0129812 -4.70017 10.7069 1 0 0 47 A
-ATOM 363 CA . ARG A 1 47 . 1.27202 -4.37847 11.3224 1 0 0 47 A
-ATOM 364 C . ARG A 1 47 . 1.51922 -2.87581 11.3186 1 0 0 47 A
-ATOM 365 O . ARG A 1 47 . 1.96484 -2.30583 12.3243 1 0 0 47 A
-ATOM 366 CB . ARG A 1 47 . 2.41622 -5.16739 10.6139 1 0 0 47 A
-ATOM 367 CG . ARG A 1 47 . 2.48015 -6.68647 10.9152 1 0 0 47 A
-ATOM 368 CD . ARG A 1 47 . 3.55594 -7.44005 10.1112 1 0 0 47 A
-ATOM 369 NE . ARG A 1 47 . 3.59837 -8.84347 10.6391 1 0 0 47 A
-ATOM 370 CZ . ARG A 1 47 . 4.39552 -9.22105 11.6478 1 0 0 47 A
-ATOM 371 NH1 . ARG A 1 47 . 5.18237 -8.30244 12.2009 1 0 0 47 A
-ATOM 372 NH2 . ARG A 1 47 . 4.39935 -10.4647 12.1192 1 0 0 47 A
-ATOM 373 N . LEU A 1 48 . 1.23464 -2.21508 10.2011 1 0 0 48 A
-ATOM 374 CA . LEU A 1 48 . 1.42875 -0.769163 10.1103 1 0 0 48 A
-ATOM 375 C . LEU A 1 48 . 0.543971 -0.0378866 11.1264 1 0 0 48 A
-ATOM 376 O . LEU A 1 48 . 0.994216 0.894678 11.7951 1 0 0 48 A
-ATOM 377 CB . LEU A 1 48 . 1.13927 -0.32084 8.65507 1 0 0 48 A
-ATOM 378 CG . LEU A 1 48 . 1.67361 1.06591 8.21471 1 0 0 48 A
-ATOM 379 CD1 . LEU A 1 48 . 3.21352 1.07817 8.22531 1 0 0 48 A
-ATOM 380 CD2 . LEU A 1 48 . 1.22103 1.44967 6.79362 1 0 0 48 A
-ATOM 381 N . ALA A 1 49 . -0.723536 -0.441137 11.2154 1 0 0 49 A
-ATOM 382 CA . ALA A 1 49 . -1.62102 0.181063 12.2023 1 0 0 49 A
-ATOM 383 C . ALA A 1 49 . -1.1082 -0.0190563 13.6096 1 0 0 49 A
-ATOM 384 O . ALA A 1 49 . -1.12985 0.912775 14.4178 1 0 0 49 A
-ATOM 385 CB . ALA A 1 49 . -3.0588 -0.377033 12.048 1 0 0 49 A
-ATOM 386 N . GLU A 1 50 . -0.64796 -1.23228 13.9269 1 0 0 50 A
-ATOM 387 CA . GLU A 1 50 . -0.129265 -1.48228 15.269 1 0 0 50 A
-ATOM 388 C . GLU A 1 50 . 1.09285 -0.626396 15.5652 1 0 0 50 A
-ATOM 389 O . GLU A 1 50 . 1.33053 -0.276373 16.7352 1 0 0 50 A
-ATOM 390 CB . GLU A 1 50 . 0.182502 -2.9943 15.4071 1 0 0 50 A
-ATOM 391 CG . GLU A 1 50 . -1.05071 -3.92036 15.6421 1 0 0 50 A
-ATOM 392 CD . GLU A 1 50 . -0.754412 -5.42046 15.6949 1 0 0 50 A
-ATOM 393 OE1 . GLU A 1 50 . 0.451776 -5.73178 15.5057 1 0 0 50 A
-ATOM 394 OE2 . GLU A 1 50 . -1.68065 -6.23532 15.8963 1 0 0 50 A
-ATOM 395 N . ALA A 1 51 . 1.86906 -0.277767 14.543 1 0 0 51 A
-ATOM 396 CA . ALA A 1 51 . 3.04925 0.559109 14.7221 1 0 0 51 A
-ATOM 397 C . ALA A 1 51 . 2.72872 2.04999 14.7297 1 0 0 51 A
-ATOM 398 O . ALA A 1 51 . 3.65233 2.86519 14.8437 1 0 0 51 A
-ATOM 399 CB . ALA A 1 51 . 4.08875 0.2177 13.6242 1 0 0 51 A
-ATOM 400 N . GLY A 1 52 . 1.45933 2.42044 14.5994 1 0 0 52 A
-ATOM 401 CA . GLY A 1 52 . 1.05511 3.80983 14.646 1 0 0 52 A
-ATOM 402 C . GLY A 1 52 . 1.03377 4.51998 13.3171 1 0 0 52 A
-ATOM 403 O . GLY A 1 52 . 0.775186 5.7227 13.2738 1 0 0 52 A
-ATOM 404 N . ALA A 1 53 . 1.27906 3.81121 12.2187 1 0 0 53 A
-ATOM 405 CA . ALA A 1 53 . 1.28959 4.44492 10.9231 1 0 0 53 A
-ATOM 406 C . ALA A 1 53 . -0.1312 4.67407 10.4269 1 0 0 53 A
-ATOM 407 O . ALA A 1 53 . -1.07464 3.96411 10.7687 1 0 0 53 A
-ATOM 408 CB . ALA A 1 53 . 2.10495 3.60146 9.91007 1 0 0 53 A
-ATOM 409 N . LYS A 1 54 . -0.27942 5.68331 9.57583 1 0 0 54 A
-ATOM 410 CA . LYS A 1 54 . -1.53528 5.91375 8.87414 1 0 0 54 A
-ATOM 411 C . LYS A 1 54 . -1.60695 5.00787 7.65157 1 0 0 54 A
-ATOM 412 O . LYS A 1 54 . -0.626826 4.85732 6.90884 1 0 0 54 A
-ATOM 413 CB . LYS A 1 54 . -1.66524 7.41653 8.47622 1 0 0 54 A
-ATOM 414 CG . LYS A 1 54 . -2.86142 7.76854 7.57242 1 0 0 54 A
-ATOM 415 CD . LYS A 1 54 . -2.94664 9.26805 7.23215 1 0 0 54 A
-ATOM 416 CE . LYS A 1 54 . -4.00783 9.56381 6.1704 1 0 0 54 A
-ATOM 417 NZ . LYS A 1 54 . -3.9328 10.9596 5.74879 1 0 0 54 A
-ATOM 418 N . ILE A 1 55 . -2.7654 4.38071 7.43616 1 0 0 55 A
-ATOM 419 CA . ILE A 1 55 . -2.94356 3.40001 6.36295 1 0 0 55 A
-ATOM 420 C . ILE A 1 55 . -4.08696 3.84277 5.45255 1 0 0 55 A
-ATOM 421 O . ILE A 1 55 . -5.19542 4.13103 5.92136 1 0 0 55 A
-ATOM 422 CB . ILE A 1 55 . -3.15067 1.95778 6.94773 1 0 0 55 A
-ATOM 423 CG1 . ILE A 1 55 . -2.08308 1.55323 7.99611 1 0 0 55 A
-ATOM 424 CG2 . ILE A 1 55 . -3.3509 0.864204 5.86769 1 0 0 55 A
-ATOM 425 CD1 . ILE A 1 55 . -2.52976 1.75088 9.45659 1 0 0 55 A
-ATOM 426 N . ARG A 1 56 . -3.80409 3.88871 4.15407 1 0 0 56 A
-ATOM 427 CA . ARG A 1 56 . -4.80686 4.10149 3.11742 1 0 0 56 A
-ATOM 428 C . ARG A 1 56 . -4.8216 2.85359 2.24811 1 0 0 56 A
-ATOM 429 O . ARG A 1 56 . -3.79382 2.50286 1.64237 1 0 0 56 A
-ATOM 430 CB . ARG A 1 56 . -4.53579 5.39542 2.28926 1 0 0 56 A
-ATOM 431 CG . ARG A 1 56 . -4.38614 6.70439 3.10578 1 0 0 56 A
-ATOM 432 CD . ARG A 1 56 . -5.69339 7.18682 3.76149 1 0 0 56 A
-ATOM 433 NE . ARG A 1 56 . -5.41333 8.53053 4.36649 1 0 0 56 A
-ATOM 434 CZ . ARG A 1 56 . -4.94798 8.68803 5.61318 1 0 0 56 A
-ATOM 435 NH1 . ARG A 1 56 . -4.72694 7.59698 6.34096 1 0 0 56 A
-ATOM 436 NH2 . ARG A 1 56 . -4.68082 9.88726 6.12245 1 0 0 56 A
-ATOM 437 N . VAL A 1 57 . -5.96102 2.17462 2.18885 1 0 0 57 A
-ATOM 438 CA . VAL A 1 57 . -6.09045 0.900007 1.48655 1 0 0 57 A
-ATOM 439 C . VAL A 1 57 . -7.01376 1.08131 0.290667 1 0 0 57 A
-ATOM 440 O . VAL A 1 57 . -8.21159 1.38148 0.454375 1 0 0 57 A
-ATOM 441 CB . VAL A 1 57 . -6.61827 -0.224185 2.44702 1 0 0 57 A
-ATOM 442 CG1 . VAL A 1 57 . -6.69583 -1.61768 1.79605 1 0 0 57 A
-ATOM 443 CG2 . VAL A 1 57 . -5.78082 -0.328366 3.73521 1 0 0 57 A
-ATOM 444 N . ILE A 1 58 . -6.47013 0.899571 -0.907906 1 0 0 58 A
-ATOM 445 CA . ILE A 1 58 . -7.23919 0.895168 -2.14901 1 0 0 58 A
-ATOM 446 C . ILE A 1 58 . -7.43287 -0.557413 -2.56077 1 0 0 58 A
-ATOM 447 O . ILE A 1 58 . -6.46514 -1.26755 -2.84802 1 0 0 58 A
-ATOM 448 CB . ILE A 1 58 . -6.56222 1.76322 -3.26842 1 0 0 58 A
-ATOM 449 CG1 . ILE A 1 58 . -6.49962 3.27452 -2.92999 1 0 0 58 A
-ATOM 450 CG2 . ILE A 1 58 . -7.12536 1.50685 -4.68957 1 0 0 58 A
-ATOM 451 CD1 . ILE A 1 58 . -5.33374 3.66307 -2.0019 1 0 0 58 A
-ATOM 452 N . ALA A 1 59 . -8.68795 -1.00753 -2.5778 1 0 0 59 A
-ATOM 453 CA . ALA A 1 59 . -9.01212 -2.40632 -2.83972 1 0 0 59 A
-ATOM 454 C . ALA A 1 59 . -9.74394 -2.52635 -4.17574 1 0 0 59 A
-ATOM 455 O . ALA A 1 59 . -10.8075 -1.93235 -4.36561 1 0 0 59 A
-ATOM 456 CB . ALA A 1 59 . -9.85464 -3.00812 -1.68625 1 0 0 59 A
-ATOM 457 N . LEU A 1 60 . -9.16318 -3.30103 -5.08093 1 0 0 60 A
-ATOM 458 CA . LEU A 1 60 . -9.77012 -3.64251 -6.3644 1 0 0 60 A
-ATOM 459 C . LEU A 1 60 . -10.1917 -5.09765 -6.28329 1 0 0 60 A
-ATOM 460 O . LEU A 1 60 . -9.3716 -5.98855 -6.05433 1 0 0 60 A
-ATOM 461 CB . LEU A 1 60 . -8.77516 -3.38696 -7.52511 1 0 0 60 A
-ATOM 462 CG . LEU A 1 60 . -8.28222 -1.93277 -7.73687 1 0 0 60 A
-ATOM 463 CD1 . LEU A 1 60 . -7.20208 -1.88428 -8.83347 1 0 0 60 A
-ATOM 464 CD2 . LEU A 1 60 . -9.41475 -0.981248 -8.16533 1 0 0 60 A
-ATOM 465 N . VAL A 1 61 . -11.4883 -5.35369 -6.52828 1 0 0 61 A
-ATOM 466 CA . VAL A 1 61 . -12.0613 -6.68397 -6.39917 1 0 0 61 A
-ATOM 467 C . VAL A 1 61 . -13.1012 -6.95507 -7.47978 1 0 0 61 A
-ATOM 468 O . VAL A 1 61 . -13.7345 -6.03632 -7.99 1 0 0 61 A
-ATOM 469 CB . VAL A 1 61 . -12.6732 -6.86085 -4.96418 1 0 0 61 A
-ATOM 470 CG1 . VAL A 1 61 . -11.6999 -6.5148 -3.82201 1 0 0 61 A
-ATOM 471 CG2 . VAL A 1 61 . -13.9632 -6.04073 -4.77734 1 0 0 61 A
-ATOM 472 N . ASP A 1 62 . -13.2938 -8.24548 -7.78271 1 0 0 62 A
-ATOM 473 CA . ASP A 1 62 . -14.3537 -8.67456 -8.68083 1 0 0 62 A
-ATOM 474 C . ASP A 1 62 . -15.6606 -8.90057 -7.89747 1 0 0 62 A
-ATOM 475 O . ASP A 1 62 . -15.7084 -8.77024 -6.69058 1 0 0 62 A
-ATOM 476 CB . ASP A 1 62 . -13.8569 -9.92763 -9.46603 1 0 0 62 A
-ATOM 477 CG . ASP A 1 62 . -13.5166 -11.093 -8.55144 1 0 0 62 A
-ATOM 478 OD1 . ASP A 1 62 . -14.2673 -11.3073 -7.56244 1 0 0 62 A
-ATOM 479 OD2 . ASP A 1 62 . -12.4146 -11.6593 -8.71727 1 0 0 62 A
-ATOM 480 N . ASP A 1 63 . -16.705 -9.28256 -8.63424 1 0 0 63 A
-ATOM 481 CA . ASP A 1 63 . -18.0181 -9.53316 -7.97237 1 0 0 63 A
-ATOM 482 C . ASP A 1 63 . -18.197 -11.0022 -7.53813 1 0 0 63 A
-ATOM 483 O . ASP A 1 63 . -19.3073 -11.3562 -7.08266 1 0 0 63 A
-ATOM 484 CB . ASP A 1 63 . -19.124 -9.01696 -8.94405 1 0 0 63 A
-ATOM 485 CG . ASP A 1 63 . -19.1977 -9.82684 -10.2282 1 0 0 63 A
-ATOM 486 OD1 . ASP A 1 63 . -18.2487 -10.6146 -10.4858 1 0 0 63 A
-ATOM 487 OD2 . ASP A 1 63 . -20.0951 -9.5356 -11.0481 1 0 0 63 A
-ATOM 488 N . SER A 1 64 . -17.1605 -11.7883 -7.65329 1 0 0 64 A
-ATOM 489 CA . SER A 1 64 . -17.3119 -13.2124 -7.26964 1 0 0 64 A
-ATOM 490 C . SER A 1 64 . -17.4101 -13.3186 -5.75154 1 0 0 64 A
-ATOM 491 O . SER A 1 64 . -17.0176 -12.4599 -4.99312 1 0 0 64 A
-ATOM 492 CB . SER A 1 64 . -16.1596 -14.1027 -7.82919 1 0 0 64 A
-ATOM 493 OG . SER A 1 64 . -14.9645 -14.0021 -7.05051 1 0 0 64 A
-ATOM 494 N . PRO A 1 65 . -18.0069 -14.4414 -5.30947 1 0 0 65 A
-ATOM 495 CA . PRO A 1 65 . -18.2116 -14.6848 -3.86403 1 0 0 65 A
-ATOM 496 C . PRO A 1 65 . -16.8533 -14.7127 -3.13923 1 0 0 65 A
-ATOM 497 O . PRO A 1 65 . -16.8015 -14.1588 -2.05369 1 0 0 65 A
-ATOM 498 CB . PRO A 1 65 . -18.9004 -16.0619 -3.83802 1 0 0 65 A
-ATOM 499 CG . PRO A 1 65 . -19.5173 -16.2049 -5.23079 1 0 0 65 A
-ATOM 500 CD . PRO A 1 65 . -18.4481 -15.6103 -6.14954 1 0 0 65 A
-ATOM 501 N . GLU A 1 66 . -15.8317 -15.306 -3.73539 1 0 0 66 A
-ATOM 502 CA . GLU A 1 66 . -14.4867 -15.3852 -3.08968 1 0 0 66 A
-ATOM 503 C . GLU A 1 66 . -13.9275 -13.9846 -2.93797 1 0 0 66 A
-ATOM 504 O . GLU A 1 66 . -13.3197 -13.6724 -1.88253 1 0 0 66 A
-ATOM 505 CB . GLU A 1 66 . -13.547 -16.2902 -3.92666 1 0 0 66 A
-ATOM 506 CG . GLU A 1 66 . -14.0173 -17.7661 -4.11113 1 0 0 66 A
-ATOM 507 CD . GLU A 1 66 . -14.9043 -18.0334 -5.32884 1 0 0 66 A
-ATOM 508 OE1 . GLU A 1 66 . -15.3867 -17.004 -5.8722 1 0 0 66 A
-ATOM 509 OE2 . GLU A 1 66 . -15.1164 -19.2067 -5.70397 1 0 0 66 A
-ATOM 510 N . ALA A 1 67 . -14.0851 -13.1682 -3.96162 1 0 0 67 A
-ATOM 511 CA . ALA A 1 67 . -13.6241 -11.7702 -3.85413 1 0 0 67 A
-ATOM 512 C . ALA A 1 67 . -14.3877 -10.9956 -2.77991 1 0 0 67 A
-ATOM 513 O . ALA A 1 67 . -13.7923 -10.2371 -2.02565 1 0 0 67 A
-ATOM 514 CB . ALA A 1 67 . -13.7387 -11.0717 -5.23304 1 0 0 67 A
-ATOM 515 N . GLN A 1 68 . -15.6853 -11.1968 -2.68091 1 0 0 68 A
-ATOM 516 CA . GLN A 1 68 . -16.473 -10.5443 -1.6389 1 0 0 68 A
-ATOM 517 C . GLN A 1 68 . -16.0834 -10.9801 -0.244198 1 0 0 68 A
-ATOM 518 O . GLN A 1 68 . -15.9278 -10.138 0.671657 1 0 0 68 A
-ATOM 519 CB . GLN A 1 68 . -17.9703 -10.8215 -1.9282 1 0 0 68 A
-ATOM 520 CG . GLN A 1 68 . -18.5438 -10.1359 -3.19453 1 0 0 68 A
-ATOM 521 CD . GLN A 1 68 . -20.0221 -10.461 -3.41767 1 0 0 68 A
-ATOM 522 OE1 . GLN A 1 68 . -20.7186 -10.9351 -2.52158 1 0 0 68 A
-ATOM 523 NE2 . GLN A 1 68 . -20.5269 -10.1945 -4.64104 1 0 0 68 A
-ATOM 524 N . ALA A 1 69 . -15.847 -12.2845 -0.0575993 1 0 0 69 A
-ATOM 525 CA . ALA A 1 69 . -15.3753 -12.7849 1.23232 1 0 0 69 A
-ATOM 526 C . ALA A 1 69 . -14.0055 -12.1979 1.58553 1 0 0 69 A
-ATOM 527 O . ALA A 1 69 . -13.7405 -11.8648 2.74906 1 0 0 69 A
-ATOM 528 CB . ALA A 1 69 . -15.3331 -14.3343 1.22522 1 0 0 69 A
-ATOM 529 N . GLY A 1 70 . -13.1297 -12.0612 0.593273 1 0 0 70 A
-ATOM 530 CA . GLY A 1 70 . -11.8306 -11.4814 0.84792 1 0 0 70 A
-ATOM 531 C . GLY A 1 70 . -11.9381 -9.98916 1.24237 1 0 0 70 A
-ATOM 532 O . GLY A 1 70 . -11.2411 -9.5372 2.1397 1 0 0 70 A
-ATOM 533 N . VAL A 1 71 . -12.8288 -9.25493 0.566787 1 0 0 71 A
-ATOM 534 CA . VAL A 1 71 . -13.0408 -7.86514 0.920102 1 0 0 71 A
-ATOM 535 C . VAL A 1 71 . -13.6009 -7.73025 2.3318 1 0 0 71 A
-ATOM 536 O . VAL A 1 71 . -13.1995 -6.81671 3.07686 1 0 0 71 A
-ATOM 537 CB . VAL A 1 71 . -13.9847 -7.18408 -0.133513 1 0 0 71 A
-ATOM 538 CG1 . VAL A 1 71 . -14.3798 -5.7388 0.222404 1 0 0 71 A
-ATOM 539 CG2 . VAL A 1 71 . -13.3786 -7.19447 -1.54918 1 0 0 71 A
-ATOM 540 N . GLU A 1 72 . -14.5186 -8.62297 2.71636 1 0 0 72 A
-ATOM 541 CA . GLU A 1 72 . -15.0528 -8.55285 4.06345 1 0 0 72 A
-ATOM 542 C . GLU A 1 72 . -13.9975 -8.81799 5.12193 1 0 0 72 A
-ATOM 543 O . GLU A 1 72 . -13.9792 -8.14669 6.16558 1 0 0 72 A
-ATOM 544 CB . GLU A 1 72 . -16.2333 -9.55186 4.1679 1 0 0 72 A
-ATOM 545 CG . GLU A 1 72 . -17.5552 -9.11252 3.46561 1 0 0 72 A
-ATOM 546 CD . GLU A 1 72 . -18.1711 -7.805 3.96749 1 0 0 72 A
-ATOM 547 OE1 . GLU A 1 72 . -18.2223 -7.68735 5.22094 1 0 0 72 A
-ATOM 548 OE2 . GLU A 1 72 . -18.5932 -6.95747 3.15138 1 0 0 72 A
-ATOM 549 N . ARG A 1 73 . -13.1185 -9.7803 4.8635 1 0 0 73 A
-ATOM 550 CA . ARG A 1 73 . -11.9933 -9.97617 5.76504 1 0 0 73 A
-ATOM 551 C . ARG A 1 73 . -11.0995 -8.75922 5.86716 1 0 0 73 A
-ATOM 552 O . ARG A 1 73 . -10.6531 -8.38842 6.96744 1 0 0 73 A
-ATOM 553 CB . ARG A 1 73 . -11.2085 -11.2505 5.32493 1 0 0 73 A
-ATOM 554 CG . ARG A 1 73 . -11.8659 -12.6084 5.68037 1 0 0 73 A
-ATOM 555 CD . ARG A 1 73 . -10.8883 -13.7984 5.67487 1 0 0 73 A
-ATOM 556 NE . ARG A 1 73 . -10.1628 -13.7668 4.36237 1 0 0 73 A
-ATOM 557 CZ . ARG A 1 73 . -10.6089 -14.3941 3.26551 1 0 0 73 A
-ATOM 558 NH1 . ARG A 1 73 . -11.7486 -15.074 3.35352 1 0 0 73 A
-ATOM 559 NH2 . ARG A 1 73 . -9.96452 -14.3322 2.10367 1 0 0 73 A
-ATOM 560 N . LEU A 1 74 . -10.8117 -8.1062 4.73334 1 0 0 74 A
-ATOM 561 CA . LEU A 1 74 . -9.99794 -6.89851 4.76766 1 0 0 74 A
-ATOM 562 C . LEU A 1 74 . -10.6807 -5.78589 5.55275 1 0 0 74 A
-ATOM 563 O . LEU A 1 74 . -10.0322 -5.06348 6.31845 1 0 0 74 A
-ATOM 564 CB . LEU A 1 74 . -9.69232 -6.47939 3.30703 1 0 0 74 A
-ATOM 565 CG . LEU A 1 74 . -9.22777 -5.0207 3.06432 1 0 0 74 A
-ATOM 566 CD1 . LEU A 1 74 . -7.74195 -4.85953 3.43575 1 0 0 74 A
-ATOM 567 CD2 . LEU A 1 74 . -9.38339 -4.58761 1.59469 1 0 0 74 A
-ATOM 568 N . ARG A 1 75 . -11.9885 -5.63871 5.38289 1 0 0 75 A
-ATOM 569 CA . ARG A 1 75 . -12.7241 -4.62304 6.1359 1 0 0 75 A
-ATOM 570 C . ARG A 1 75 . -12.6646 -4.90706 7.62991 1 0 0 75 A
-ATOM 571 O . ARG A 1 75 . -12.4871 -3.98412 8.43964 1 0 0 75 A
-ATOM 572 CB . ARG A 1 75 . -14.1898 -4.5224 5.61137 1 0 0 75 A
-ATOM 573 CG . ARG A 1 75 . -15.0627 -3.41032 6.24679 1 0 0 75 A
-ATOM 574 CD . ARG A 1 75 . -16.4706 -3.29203 5.63412 1 0 0 75 A
-ATOM 575 NE . ARG A 1 75 . -16.2963 -2.85444 4.21 1 0 0 75 A
-ATOM 576 CZ . ARG A 1 75 . -16.4127 -3.69035 3.16917 1 0 0 75 A
-ATOM 577 NH1 . ARG A 1 75 . -16.6961 -4.96547 3.41948 1 0 0 75 A
-ATOM 578 NH2 . ARG A 1 75 . -16.2805 -3.27741 1.91183 1 0 0 75 A
-ATOM 579 N . GLN A 1 76 . -12.7879 -6.18204 8.00985 1 0 0 76 A
-ATOM 580 CA . GLN A 1 76 . -12.6828 -6.53692 9.40921 1 0 0 76 A
-ATOM 581 C . GLN A 1 76 . -11.3192 -6.22036 9.98237 1 0 0 76 A
-ATOM 582 O . GLN A 1 76 . -11.1999 -5.69808 11.1045 1 0 0 76 A
-ATOM 583 CB . GLN A 1 76 . -13.0313 -8.03998 9.55716 1 0 0 76 A
-ATOM 584 CG . GLN A 1 76 . -14.4798 -8.43107 9.16837 1 0 0 76 A
-ATOM 585 CD . GLN A 1 76 . -14.7005 -9.94504 9.17908 1 0 0 76 A
-ATOM 586 OE1 . GLN A 1 76 . -13.851 -10.7155 9.62355 1 0 0 76 A
-ATOM 587 NE2 . GLN A 1 76 . -15.8746 -10.3934 8.68614 1 0 0 76 A
-ATOM 588 N . VAL A 1 77 . -10.2568 -6.52433 9.21864 1 0 0 77 A
-ATOM 589 CA . VAL A 1 77 . -8.90615 -6.20041 9.64795 1 0 0 77 A
-ATOM 590 C . VAL A 1 77 . -8.74467 -4.69292 9.79574 1 0 0 77 A
-ATOM 591 O . VAL A 1 77 . -8.1625 -4.21004 10.7816 1 0 0 77 A
-ATOM 592 CB . VAL A 1 77 . -7.85455 -6.78887 8.64159 1 0 0 77 A
-ATOM 593 CG1 . VAL A 1 77 . -6.41998 -6.27498 8.86411 1 0 0 77 A
-ATOM 594 CG2 . VAL A 1 77 . -7.83397 -8.32866 8.65688 1 0 0 77 A
-ATOM 595 N . CYS A 1 78 . -9.22368 -3.93127 8.81664 1 0 0 78 A
-ATOM 596 CA . CYS A 1 78 . -9.14842 -2.47763 8.8872 1 0 0 78 A
-ATOM 597 C . CYS A 1 78 . -9.87611 -1.94285 10.1132 1 0 0 78 A
-ATOM 598 O . CYS A 1 78 . -9.37822 -1.02924 10.7849 1 0 0 78 A
-ATOM 599 CB . CYS A 1 78 . -9.72263 -1.88565 7.56302 1 0 0 78 A
-ATOM 600 SG . CYS A 1 78 . -8.58181 -2.03002 6.1266 1 0 0 78 A
-ATOM 601 N . GLU A 1 79 . -11.0537 -2.48542 10.3936 1 0 0 79 A
-ATOM 602 CA . GLU A 1 79 . -11.8015 -2.03408 11.5759 1 0 0 79 A
-ATOM 603 C . GLU A 1 79 . -11.0671 -2.34628 12.8561 1 0 0 79 A
-ATOM 604 O . GLU A 1 79 . -11.0974 -1.53876 13.7977 1 0 0 79 A
-ATOM 605 CB . GLU A 1 79 . -13.208 -2.68487 11.5484 1 0 0 79 A
-ATOM 606 CG . GLU A 1 79 . -14.2106 -2.08514 10.5146 1 0 0 79 A
-ATOM 607 CD . GLU A 1 79 . -15.5104 -2.86818 10.3186 1 0 0 79 A
-ATOM 608 OE1 . GLU A 1 79 . -15.5776 -3.95532 10.952 1 0 0 79 A
-ATOM 609 OE2 . GLU A 1 79 . -16.4003 -2.42541 9.56061 1 0 0 79 A
-ATOM 610 N . GLU A 1 80 . -10.4217 -3.51417 12.9334 1 0 0 80 A
-ATOM 611 CA . GLU A 1 80 . -9.65619 -3.83994 14.122 1 0 0 80 A
-ATOM 612 C . GLU A 1 80 . -8.50794 -2.85944 14.3068 1 0 0 80 A
-ATOM 613 O . GLU A 1 80 . -8.2173 -2.44202 15.4387 1 0 0 80 A
-ATOM 614 CB . GLU A 1 80 . -9.15091 -5.30157 14.0179 1 0 0 80 A
-ATOM 615 CG . GLU A 1 80 . -10.2574 -6.40121 14.0176 1 0 0 80 A
-ATOM 616 CD . GLU A 1 80 . -9.77118 -7.83273 13.7826 1 0 0 80 A
-ATOM 617 OE1 . GLU A 1 80 . -8.55848 -7.93622 13.4567 1 0 0 80 A
-ATOM 618 OE2 . GLU A 1 80 . -10.5646 -8.79132 13.9013 1 0 0 80 A
-ATOM 619 N . LEU A 1 81 . -7.83886 -2.48297 13.2258 1 0 0 81 A
-ATOM 620 CA . LEU A 1 81 . -6.74334 -1.52248 13.34 1 0 0 81 A
-ATOM 621 C . LEU A 1 81 . -7.2319 -0.163606 13.805 1 0 0 81 A
-ATOM 622 O . LEU A 1 81 . -6.60826 0.467361 14.6668 1 0 0 81 A
-ATOM 623 CB . LEU A 1 81 . -6.02598 -1.44666 11.9681 1 0 0 81 A
-ATOM 624 CG . LEU A 1 81 . -5.33694 -2.73467 11.4497 1 0 0 81 A
-ATOM 625 CD1 . LEU A 1 81 . -4.71878 -2.49307 10.06 1 0 0 81 A
-ATOM 626 CD2 . LEU A 1 81 . -4.20605 -3.21473 12.3782 1 0 0 81 A
-ATOM 627 N . ARG A 1 82 . -8.34192 0.30223 13.2475 1 0 0 82 A
-ATOM 628 CA . ARG A 1 82 . -8.94189 1.55482 13.7029 1 0 0 82 A
-ATOM 629 C . ARG A 1 82 . -9.26964 1.48016 15.1901 1 0 0 82 A
-ATOM 630 O . ARG A 1 82 . -9.04789 2.43401 15.9482 1 0 0 82 A
-ATOM 631 CB . ARG A 1 82 . -10.1933 1.90232 12.8387 1 0 0 82 A
-ATOM 632 CG . ARG A 1 82 . -9.9174 2.24414 11.3523 1 0 0 82 A
-ATOM 633 CD . ARG A 1 82 . -11.1057 2.90654 10.6306 1 0 0 82 A
-ATOM 634 NE . ARG A 1 82 . -10.6818 3.14607 9.21185 1 0 0 82 A
-ATOM 635 CZ . ARG A 1 82 . -10.8875 2.25974 8.22813 1 0 0 82 A
-ATOM 636 NH1 . ARG A 1 82 . -11.4964 1.11721 8.53266 1 0 0 82 A
-ATOM 637 NH2 . ARG A 1 82 . -10.5278 2.50201 6.97082 1 0 0 82 A
-ATOM 638 N . GLU A 1 83 . -9.82088 0.341207 15.6235 1 0 0 83 A
-ATOM 639 CA . GLU A 1 83 . -10.1272 0.176592 17.0479 1 0 0 83 A
-ATOM 640 C . GLU A 1 83 . -8.87377 0.228167 17.9172 1 0 0 83 A
-ATOM 641 O . GLU A 1 83 . -8.92936 0.66964 19.0681 1 0 0 83 A
-ATOM 642 CB . GLU A 1 83 . -10.8971 -1.15622 17.2305 1 0 0 83 A
-ATOM 643 CG . GLU A 1 83 . -12.4016 -1.13003 16.8187 1 0 0 83 A
-ATOM 644 CD . GLU A 1 83 . -13.0415 -2.49426 16.5536 1 0 0 83 A
-ATOM 645 OE1 . GLU A 1 83 . -12.325 -3.48591 16.855 1 0 0 83 A
-ATOM 646 OE2 . GLU A 1 83 . -14.1864 -2.5633 16.0567 1 0 0 83 A
-ATOM 647 N . LYS A 1 84 . -7.74633 -0.21436 17.3793 1 0 0 84 A
-ATOM 648 CA . LYS A 1 84 . -6.4872 -0.174135 18.1152 1 0 0 84 A
-ATOM 649 C . LYS A 1 84 . -5.8458 1.20646 18.1089 1 0 0 84 A
-ATOM 650 O . LYS A 1 84 . -4.82347 1.38925 18.7601 1 0 0 84 A
-ATOM 651 CB . LYS A 1 84 . -5.52865 -1.24873 17.5152 1 0 0 84 A
-ATOM 652 CG . LYS A 1 84 . -5.93832 -2.71507 17.7467 1 0 0 84 A
-ATOM 653 CD . LYS A 1 84 . -5.09675 -3.71754 16.9353 1 0 0 84 A
-ATOM 654 CE . LYS A 1 84 . -5.6033 -5.15387 17.0812 1 0 0 84 A
-ATOM 655 NZ . LYS A 1 84 . -4.80087 -6.06307 16.2681 1 0 0 84 A
-ATOM 656 N . GLY A 1 85 . -6.39657 2.16693 17.3679 1 0 0 85 A
-ATOM 657 CA . GLY A 1 85 . -5.8841 3.52644 17.3396 1 0 0 85 A
-ATOM 658 C . GLY A 1 85 . -5.28214 3.95359 16.0281 1 0 0 85 A
-ATOM 659 O . GLY A 1 85 . -4.85066 5.11116 15.9026 1 0 0 85 A
-ATOM 660 N . ALA A 1 86 . -5.21911 3.06496 15.0411 1 0 0 86 A
-ATOM 661 CA . ALA A 1 86 . -4.65179 3.42493 13.7331 1 0 0 86 A
-ATOM 662 C . ALA A 1 86 . -5.66849 4.18923 12.8926 1 0 0 86 A
-ATOM 663 O . ALA A 1 86 . -6.8702 3.92091 12.9401 1 0 0 86 A
-ATOM 664 CB . ALA A 1 86 . -4.15397 2.15847 12.991 1 0 0 86 A
-ATOM 665 N . ASP A 1 87 . -5.16662 5.15651 12.1335 1 0 0 87 A
-ATOM 666 CA . ASP A 1 87 . -5.99629 5.91526 11.1969 1 0 0 87 A
-ATOM 667 C . ASP A 1 87 . -6.00958 5.16804 9.86809 1 0 0 87 A
-ATOM 668 O . ASP A 1 87 . -5.01323 5.16164 9.13971 1 0 0 87 A
-ATOM 669 CB . ASP A 1 87 . -5.47396 7.38187 11.0978 1 0 0 87 A
-ATOM 670 CG . ASP A 1 87 . -6.39342 8.2755 10.2814 1 0 0 87 A
-ATOM 671 OD1 . ASP A 1 87 . -7.25831 7.7234 9.55015 1 0 0 87 A
-ATOM 672 OD2 . ASP A 1 87 . -6.1251 9.49538 10.2327 1 0 0 87 A
-ATOM 673 N . VAL A 1 88 . -7.14244 4.53867 9.55596 1 0 0 88 A
-ATOM 674 CA . VAL A 1 88 . -7.25882 3.68876 8.38023 1 0 0 88 A
-ATOM 675 C . VAL A 1 88 . -8.41198 4.17939 7.50498 1 0 0 88 A
-ATOM 676 O . VAL A 1 88 . -9.54026 4.35866 7.9981 1 0 0 88 A
-ATOM 677 CB . VAL A 1 88 . -7.45757 2.18715 8.79321 1 0 0 88 A
-ATOM 678 CG1 . VAL A 1 88 . -7.51679 1.21318 7.60179 1 0 0 88 A
-ATOM 679 CG2 . VAL A 1 88 . -6.36962 1.7043 9.77036 1 0 0 88 A
-ATOM 680 N . GLU A 1 89 . -8.12871 4.40273 6.22182 1 0 0 89 A
-ATOM 681 CA . GLU A 1 89 . -9.11725 4.78368 5.22829 1 0 0 89 A
-ATOM 682 C . GLU A 1 89 . -9.14374 3.71736 4.14881 1 0 0 89 A
-ATOM 683 O . GLU A 1 89 . -8.12574 3.47903 3.4912 1 0 0 89 A
-ATOM 684 CB . GLU A 1 89 . -8.78916 6.18183 4.64518 1 0 0 89 A
-ATOM 685 CG . GLU A 1 89 . -8.93703 7.37886 5.63455 1 0 0 89 A
-ATOM 686 CD . GLU A 1 89 . -8.67751 8.7657 5.04274 1 0 0 89 A
-ATOM 687 OE1 . GLU A 1 89 . -9.1711 8.95741 3.8994 1 0 0 89 A
-ATOM 688 OE2 . GLU A 1 89 . -8.004 9.60323 5.68103 1 0 0 89 A
-ATOM 689 N . LEU A 1 90 . -10.2952 3.07764 3.95215 1 0 0 90 A
-ATOM 690 CA . LEU A 1 90 . -10.4202 1.98901 2.98868 1 0 0 90 A
-ATOM 691 C . LEU A 1 90 . -11.3452 2.42899 1.8654 1 0 0 90 A
-ATOM 692 O . LEU A 1 90 . -12.4717 2.88854 2.12126 1 0 0 90 A
-ATOM 693 CB . LEU A 1 90 . -10.9372 0.71568 3.7055 1 0 0 90 A
-ATOM 694 CG . LEU A 1 90 . -11.1884 -0.542226 2.83538 1 0 0 90 A
-ATOM 695 CD1 . LEU A 1 90 . -9.86493 -1.06003 2.24213 1 0 0 90 A
-ATOM 696 CD2 . LEU A 1 90 . -11.8166 -1.69849 3.63538 1 0 0 90 A
-ATOM 697 N . ASP A 1 91 . -10.8823 2.28214 0.628337 1 0 0 91 A
-ATOM 698 CA . ASP A 1 91 . -11.6462 2.62364 -0.56388 1 0 0 91 A
-ATOM 699 C . ASP A 1 91 . -11.7436 1.38338 -1.44006 1 0 0 91 A
-ATOM 700 O . ASP A 1 91 . -10.7238 0.889232 -1.93271 1 0 0 91 A
-ATOM 701 CB . ASP A 1 91 . -10.9935 3.85235 -1.26944 1 0 0 91 A
-ATOM 702 CG . ASP A 1 91 . -11.3568 5.16945 -0.6034 1 0 0 91 A
-ATOM 703 OD1 . ASP A 1 91 . -12.5523 5.34031 -0.243926 1 0 0 91 A
-ATOM 704 OD2 . ASP A 1 91 . -10.5023 6.08168 -0.615138 1 0 0 91 A
-ATOM 705 N . VAL A 1 92 . -12.9757 0.882974 -1.63705 1 0 0 92 A
-ATOM 706 CA . VAL A 1 92 . -13.2031 -0.341638 -2.40193 1 0 0 92 A
-ATOM 707 C . VAL A 1 92 . -13.7904 -0.00129842 -3.76621 1 0 0 92 A
-ATOM 708 O . VAL A 1 92 . -14.8259 0.655453 -3.85343 1 0 0 92 A
-ATOM 709 CB . VAL A 1 92 . -14.1371 -1.32418 -1.61001 1 0 0 92 A
-ATOM 710 CG1 . VAL A 1 92 . -14.4871 -2.61139 -2.37953 1 0 0 92 A
-ATOM 711 CG2 . VAL A 1 92 . -13.5451 -1.71344 -0.242664 1 0 0 92 A
-ATOM 712 N . ILE A 1 93 . -13.1085 -0.460651 -4.81111 1 0 0 93 A
-ATOM 713 CA . ILE A 1 93 . -13.541 -0.256447 -6.19445 1 0 0 93 A
-ATOM 714 C . ILE A 1 93 . -13.785 -1.62367 -6.81212 1 0 0 93 A
-ATOM 715 O . ILE A 1 93 . -12.8764 -2.45083 -6.91463 1 0 0 93 A
-ATOM 716 CB . ILE A 1 93 . -12.5144 0.608277 -7.00884 1 0 0 93 A
-ATOM 717 CG1 . ILE A 1 93 . -12.2407 1.99999 -6.38377 1 0 0 93 A
-ATOM 718 CG2 . ILE A 1 93 . -12.8326 0.701594 -8.52295 1 0 0 93 A
-ATOM 719 CD1 . ILE A 1 93 . -10.9697 2.68859 -6.91483 1 0 0 93 A
-ATOM 720 N . THR A 1 94 . -15.0273 -1.85269 -7.2448 1 0 0 94 A
-ATOM 721 CA . THR A 1 94 . -15.4146 -3.09251 -7.9152 1 0 0 94 A
-ATOM 722 C . THR A 1 94 . -15.1279 -2.91983 -9.40001 1 0 0 94 A
-ATOM 723 O . THR A 1 94 . -15.9524 -2.30386 -10.1186 1 0 0 94 A
-ATOM 724 CB . THR A 1 94 . -16.8933 -3.53647 -7.63018 1 0 0 94 A
-ATOM 725 OG1 . THR A 1 94 . -17.1958 -3.53893 -6.23255 1 0 0 94 A
-ATOM 726 CG2 . THR A 1 94 . -17.3032 -4.89804 -8.19498 1 0 0 94 A
-ATOM 727 N . ALA A 1 95 . -14.0299 -3.48284 -9.87134 1 0 0 95 A
-ATOM 728 CA . ALA A 1 95 . -13.6009 -3.33481 -11.2801 1 0 0 95 A
-ATOM 729 C . ALA A 1 95 . -12.6203 -4.44861 -11.6014 1 0 0 95 A
-ATOM 730 O . ALA A 1 95 . -12.0769 -5.1237 -10.708 1 0 0 95 A
-ATOM 731 CB . ALA A 1 95 . -12.9721 -1.94363 -11.5479 1 0 0 95 A
-ATOM 732 N . PRO A 1 96 . -12.4101 -4.65729 -12.8825 1 0 0 96 A
-ATOM 733 CA . PRO A 1 96 . -11.4196 -5.62747 -13.3474 1 0 0 96 A
-ATOM 734 C . PRO A 1 96 . -10.0073 -5.12224 -13.0266 1 0 0 96 A
-ATOM 735 O . PRO A 1 96 . -9.68161 -3.94864 -13.2454 1 0 0 96 A
-ATOM 736 CB . PRO A 1 96 . -11.6737 -5.68522 -14.8652 1 0 0 96 A
-ATOM 737 CG . PRO A 1 96 . -13.0376 -5.01656 -15.0481 1 0 0 96 A
-ATOM 738 CD . PRO A 1 96 . -13.1727 -4.14933 -13.7948 1 0 0 96 A
-ATOM 739 N . LEU A 1 97 . -9.15079 -6.02579 -12.5589 1 0 0 97 A
-ATOM 740 CA . LEU A 1 97 . -7.81008 -5.64552 -12.1362 1 0 0 97 A
-ATOM 741 C . LEU A 1 97 . -7.01805 -5.00193 -13.2834 1 0 0 97 A
-ATOM 742 O . LEU A 1 97 . -6.31487 -4.00686 -13.1056 1 0 0 97 A
-ATOM 743 CB . LEU A 1 97 . -7.10414 -6.90608 -11.5749 1 0 0 97 A
-ATOM 744 CG . LEU A 1 97 . -5.72687 -6.70934 -10.8915 1 0 0 97 A
-ATOM 745 CD1 . LEU A 1 97 . -5.88167 -5.90051 -9.5902 1 0 0 97 A
-ATOM 746 CD2 . LEU A 1 97 . -5.05281 -8.04458 -10.5249 1 0 0 97 A
-ATOM 747 N . ASP A 1 98 . -7.12941 -5.5583 -14.4842 1 0 0 98 A
-ATOM 748 CA . ASP A 1 98 . -6.33132 -5.10736 -15.6425 1 0 0 98 A
-ATOM 749 C . ASP A 1 98 . -7.0101 -3.9645 -16.3986 1 0 0 98 A
-ATOM 750 O . ASP A 1 98 . -6.41201 -3.46497 -17.3789 1 0 0 98 A
-ATOM 751 CB . ASP A 1 98 . -6.03231 -6.36238 -16.5195 1 0 0 98 A
-ATOM 752 CG . ASP A 1 98 . -7.29089 -6.97246 -17.1146 1 0 0 98 A
-ATOM 753 OD1 . ASP A 1 98 . -8.40351 -6.59218 -16.6618 1 0 0 98 A
-ATOM 754 OD2 . ASP A 1 98 . -7.15576 -7.94796 -17.8844 1 0 0 98 A
-ATOM 755 N . ASP A 1 99 . -8.21272 -3.55699 -15.9563 1 0 0 99 A
-ATOM 756 CA . ASP A 1 99 . -8.88068 -2.46927 -16.6653 1 0 0 99 A
-ATOM 757 C . ASP A 1 99 . -8.0827 -1.18331 -16.5123 1 0 0 99 A
-ATOM 758 O . ASP A 1 99 . -7.7891 -0.761638 -15.3897 1 0 0 99 A
-ATOM 759 CB . ASP A 1 99 . -10.3517 -2.37064 -16.1553 1 0 0 99 A
-ATOM 760 CG . ASP A 1 99 . -11.1498 -1.2979 -16.8781 1 0 0 99 A
-ATOM 761 OD1 . ASP A 1 99 . -11.3808 -1.45938 -18.1062 1 0 0 99 A
-ATOM 762 OD2 . ASP A 1 99 . -11.3737 -0.230085 -16.2681 1 0 0 99 A
-ATOM 763 N . PRO A 1 100 . -7.75988 -0.530642 -17.6377 1 0 0 100 A
-ATOM 764 CA . PRO A 1 100 . -6.99149 0.708352 -17.5578 1 0 0 100 A
-ATOM 765 C . PRO A 1 100 . -7.72836 1.78402 -16.7381 1 0 0 100 A
-ATOM 766 O . PRO A 1 100 . -7.11355 2.48572 -15.9399 1 0 0 100 A
-ATOM 767 CB . PRO A 1 100 . -6.86536 1.10746 -19.0398 1 0 0 100 A
-ATOM 768 CG . PRO A 1 100 . -7.00317 -0.212011 -19.802 1 0 0 100 A
-ATOM 769 CD . PRO A 1 100 . -8.01671 -0.995037 -18.965 1 0 0 100 A
-ATOM 770 N . GLU A 1 101 . -9.01032 1.91079 -16.9461 1 0 0 101 A
-ATOM 771 CA . GLU A 1 101 . -9.76897 2.91364 -16.1836 1 0 0 101 A
-ATOM 772 C . GLU A 1 101 . -9.778 2.63638 -14.6564 1 0 0 101 A
-ATOM 773 O . GLU A 1 101 . -9.6544 3.56917 -13.8794 1 0 0 101 A
-ATOM 774 CB . GLU A 1 101 . -11.2048 2.96746 -16.765 1 0 0 101 A
-ATOM 775 CG . GLU A 1 101 . -11.3208 3.47986 -18.2339 1 0 0 101 A
-ATOM 776 CD . GLU A 1 101 . -12.744 3.70529 -18.7483 1 0 0 101 A
-ATOM 777 OE1 . GLU A 1 101 . -13.6526 3.53517 -17.8922 1 0 0 101 A
-ATOM 778 OE2 . GLU A 1 101 . -12.9362 4.0166 -19.9436 1 0 0 101 A
-ATOM 779 N . ALA A 1 102 . -9.89213 1.37081 -14.2818 1 0 0 102 A
-ATOM 780 CA . ALA A 1 102 . -9.82414 1.01909 -12.897 1 0 0 102 A
-ATOM 781 C . ALA A 1 102 . -8.4398 1.31987 -12.3111 1 0 0 102 A
-ATOM 782 O . ALA A 1 102 . -8.32795 1.85165 -11.211 1 0 0 102 A
-ATOM 783 CB . ALA A 1 102 . -10.1988 -0.472693 -12.7053 1 0 0 102 A
-ATOM 784 N . GLN A 1 103 . -7.38679 0.985997 -13.0466 1 0 0 103 A
-ATOM 785 CA . GLN A 1 103 . -6.03382 1.27694 -12.5921 1 0 0 103 A
-ATOM 786 C . GLN A 1 103 . -5.81169 2.78194 -12.4437 1 0 0 103 A
-ATOM 787 O . GLN A 1 103 . -5.16883 3.23278 -11.4838 1 0 0 103 A
-ATOM 788 CB . GLN A 1 103 . -5.02389 0.644071 -13.5831 1 0 0 103 A
-ATOM 789 CG . GLN A 1 103 . -5.11806 -0.895023 -13.7406 1 0 0 103 A
-ATOM 790 CD . GLN A 1 103 . -4.12535 -1.44011 -14.7693 1 0 0 103 A
-ATOM 791 OE1 . GLN A 1 103 . -3.41055 -0.690766 -15.433 1 0 0 103 A
-ATOM 792 NE2 . GLN A 1 103 . -4.06533 -2.78173 -14.9071 1 0 0 103 A
-ATOM 793 N . GLN A 1 104 . -6.32697 3.56365 -13.3872 1 0 0 104 A
-ATOM 794 CA . GLN A 1 104 . -6.19637 5.01367 -13.2957 1 0 0 104 A
-ATOM 795 C . GLN A 1 104 . -6.91005 5.57382 -12.073 1 0 0 104 A
-ATOM 796 O . GLN A 1 104 . -6.39296 6.47606 -11.3984 1 0 0 104 A
-ATOM 797 CB . GLN A 1 104 . -6.73251 5.63963 -14.6084 1 0 0 104 A
-ATOM 798 CG . GLN A 1 104 . -6.65298 7.18531 -14.6924 1 0 0 104 A
-ATOM 799 CD . GLN A 1 104 . -5.21148 7.69542 -14.745 1 0 0 104 A
-ATOM 800 OE1 . GLN A 1 104 . -4.29974 7.00148 -15.1923 1 0 0 104 A
-ATOM 801 NE2 . GLN A 1 104 . -4.99012 8.94549 -14.2859 1 0 0 104 A
-ATOM 802 N . ARG A 1 105 . -8.0987 5.04254 -11.7606 1 0 0 105 A
-ATOM 803 CA . ARG A 1 105 . -8.81283 5.49391 -10.606 1 0 0 105 A
-ATOM 804 C . ARG A 1 105 . -8.08321 5.13946 -9.28775 1 0 0 105 A
-ATOM 805 O . ARG A 1 105 . -8.04626 5.931 -8.35261 1 0 0 105 A
-ATOM 806 CB . ARG A 1 105 . -10.267 4.93053 -10.6465 1 0 0 105 A
-ATOM 807 CG . ARG A 1 105 . -11.182 5.32892 -9.46055 1 0 0 105 A
-ATOM 808 CD . ARG A 1 105 . -11.2184 6.84235 -9.17806 1 0 0 105 A
-ATOM 809 NE . ARG A 1 105 . -12.2962 7.07518 -8.1612 1 0 0 105 A
-ATOM 810 CZ . ARG A 1 105 . -12.3787 8.19275 -7.42646 1 0 0 105 A
-ATOM 811 NH1 . ARG A 1 105 . -11.458 9.13408 -7.61395 1 0 0 105 A
-ATOM 812 NH2 . ARG A 1 105 . -13.3576 8.39163 -6.54841 1 0 0 105 A
-ATOM 813 N . ALA A 1 106 . -7.47235 3.96064 -9.28302 1 0 0 106 A
-ATOM 814 CA . ALA A 1 106 . -6.70568 3.56868 -8.07688 1 0 0 106 A
-ATOM 815 C . ALA A 1 106 . -5.49658 4.47396 -7.88881 1 0 0 106 A
-ATOM 816 O . ALA A 1 106 . -5.21415 4.92382 -6.7671 1 0 0 106 A
-ATOM 817 CB . ALA A 1 106 . -6.28032 2.08068 -8.16295 1 0 0 106 A
-ATOM 818 N . ARG A 1 107 . -4.77209 4.74481 -8.98666 1 0 0 107 A
-ATOM 819 CA . ARG A 1 107 . -3.59105 5.60575 -8.90042 1 0 0 107 A
-ATOM 820 C . ARG A 1 107 . -3.96927 7.01372 -8.44568 1 0 0 107 A
-ATOM 821 O . ARG A 1 107 . -3.25902 7.62524 -7.65355 1 0 0 107 A
-ATOM 822 CB . ARG A 1 107 . -2.8324 5.60884 -10.2635 1 0 0 107 A
-ATOM 823 CG . ARG A 1 107 . -2.06916 4.30715 -10.6179 1 0 0 107 A
-ATOM 824 CD . ARG A 1 107 . -1.08225 4.45887 -11.7903 1 0 0 107 A
-ATOM 825 NE . ARG A 1 107 . -1.89645 4.74029 -13.0183 1 0 0 107 A
-ATOM 826 CZ . ARG A 1 107 . -2.39572 3.77428 -13.8013 1 0 0 107 A
-ATOM 827 NH1 . ARG A 1 107 . -2.15331 2.51005 -13.4669 1 0 0 107 A
-ATOM 828 NH2 . ARG A 1 107 . -3.1378 4.0439 -14.8716 1 0 0 107 A
-ATOM 829 N . GLU A 1 108 . -5.08206 7.53185 -8.95653 1 0 0 108 A
-ATOM 830 CA . GLU A 1 108 . -5.52257 8.89472 -8.58699 1 0 0 108 A
-ATOM 831 C . GLU A 1 108 . -5.87835 8.91909 -7.10491 1 0 0 108 A
-ATOM 832 O . GLU A 1 108 . -5.55548 9.88967 -6.40379 1 0 0 108 A
-ATOM 833 CB . GLU A 1 108 . -6.72085 9.32414 -9.47142 1 0 0 108 A
-ATOM 834 CG . GLU A 1 108 . -6.3747 9.6903 -10.9478 1 0 0 108 A
-ATOM 835 CD . GLU A 1 108 . -7.56023 10.0902 -11.8284 1 0 0 108 A
-ATOM 836 OE1 . GLU A 1 108 . -8.69306 9.93221 -11.2999 1 0 0 108 A
-ATOM 837 OE2 . GLU A 1 108 . -7.36418 10.5195 -12.9859 1 0 0 108 A
-ATOM 838 N . LEU A 1 109 . -6.55994 7.88242 -6.59846 1 0 0 109 A
-ATOM 839 CA . LEU A 1 109 . -6.89525 7.82567 -5.18174 1 0 0 109 A
-ATOM 840 C . LEU A 1 109 . -5.63798 7.72971 -4.31698 1 0 0 109 A
-ATOM 841 O . LEU A 1 109 . -5.53139 8.38622 -3.2756 1 0 0 109 A
-ATOM 842 CB . LEU A 1 109 . -7.85244 6.62782 -4.95495 1 0 0 109 A
-ATOM 843 CG . LEU A 1 109 . -9.3067 6.76697 -5.4729 1 0 0 109 A
-ATOM 844 CD1 . LEU A 1 109 . -10.0248 5.40517 -5.43501 1 0 0 109 A
-ATOM 845 CD2 . LEU A 1 109 . -10.1421 7.75024 -4.6321 1 0 0 109 A
-ATOM 846 N . ALA A 1 110 . -4.6806 6.9033 -4.72891 1 0 0 110 A
-ATOM 847 CA . ALA A 1 110 . -3.43619 6.75256 -3.97669 1 0 0 110 A
-ATOM 848 C . ALA A 1 110 . -2.66917 8.06941 -3.95186 1 0 0 110 A
-ATOM 849 O . ALA A 1 110 . -2.14666 8.47396 -2.90994 1 0 0 110 A
-ATOM 850 CB . ALA A 1 110 . -2.56952 5.61343 -4.57146 1 0 0 110 A
-ATOM 851 N . GLU A 1 111 . -2.59255 8.75565 -5.09617 1 0 0 111 A
-ATOM 852 CA . GLU A 1 111 . -1.90023 10.0372 -5.14929 1 0 0 111 A
-ATOM 853 C . GLU A 1 111 . -2.55189 11.0444 -4.21296 1 0 0 111 A
-ATOM 854 O . GLU A 1 111 . -1.8612 11.7878 -3.49982 1 0 0 111 A
-ATOM 855 CB . GLU A 1 111 . -1.88306 10.5438 -6.61408 1 0 0 111 A
-ATOM 856 CG . GLU A 1 111 . -0.806439 9.89828 -7.54028 1 0 0 111 A
-ATOM 857 CD . GLU A 1 111 . -1.06469 10.0192 -9.04347 1 0 0 111 A
-ATOM 858 OE1 . GLU A 1 111 . -2.01715 10.7807 -9.36038 1 0 0 111 A
-ATOM 859 OE2 . GLU A 1 111 . -0.364279 9.37417 -9.85335 1 0 0 111 A
-ATOM 860 N . LYS A 1 112 . -3.88234 11.1029 -4.22047 1 0 0 112 A
-ATOM 861 CA . LYS A 1 112 . -4.57562 12.0543 -3.36336 1 0 0 112 A
-ATOM 862 C . LYS A 1 112 . -4.33337 11.7413 -1.89699 1 0 0 112 A
-ATOM 863 O . LYS A 1 112 . -4.13474 12.6417 -1.07343 1 0 0 112 A
-ATOM 864 CB . LYS A 1 112 . -6.09839 12.0462 -3.70205 1 0 0 112 A
-ATOM 865 CG . LYS A 1 112 . -6.98478 12.9461 -2.82109 1 0 0 112 A
-ATOM 866 CD . LYS A 1 112 . -8.44769 13.0131 -3.29751 1 0 0 112 A
-ATOM 867 CE . LYS A 1 112 . -9.34261 13.7787 -2.32087 1 0 0 112 A
-ATOM 868 NZ . LYS A 1 112 . -9.49545 13.0317 -1.0758 1 0 0 112 A
-ATOM 869 N . TYR A 1 113 . -4.35772 10.4336 -1.53851 1 0 0 113 A
-ATOM 870 CA . TYR A 1 113 . -4.08743 10.0577 -0.158125 1 0 0 113 A
-ATOM 871 C . TYR A 1 113 . -2.6626 10.3988 0.257718 1 0 0 113 A
-ATOM 872 O . TYR A 1 113 . -2.42711 10.8715 1.37259 1 0 0 113 A
-ATOM 873 CB . TYR A 1 113 . -4.40703 8.54005 0.0101727 1 0 0 113 A
-ATOM 874 CG . TYR A 1 113 . -5.88573 8.26015 0.133459 1 0 0 113 A
-ATOM 875 CD1 . TYR A 1 113 . -6.70863 9.0937 0.918382 1 0 0 113 A
-ATOM 876 CD2 . TYR A 1 113 . -6.45038 7.11969 -0.473692 1 0 0 113 A
-ATOM 877 CE1 . TYR A 1 113 . -8.05973 8.77973 1.10795 1 0 0 113 A
-ATOM 878 CE2 . TYR A 1 113 . -7.80082 6.80525 -0.280212 1 0 0 113 A
-ATOM 879 CZ . TYR A 1 113 . -8.60429 7.6348 0.51415 1 0 0 113 A
-ATOM 880 OH . TYR A 1 113 . -9.95816 7.31016 0.737173 1 0 0 113 A
-ATOM 881 N . ILE A 1 114 . -1.69786 10.1185 -0.61878 1 0 0 114 A
-ATOM 882 CA . ILE A 1 114 . -0.30896 10.4754 -0.313732 1 0 0 114 A
-ATOM 883 C . ILE A 1 114 . -0.149454 11.9733 -0.122365 1 0 0 114 A
-ATOM 884 O . ILE A 1 114 . 0.536267 12.4282 0.804983 1 0 0 114 A
-ATOM 885 CB . ILE A 1 114 . 0.645198 9.89464 -1.41701 1 0 0 114 A
-ATOM 886 CG1 . ILE A 1 114 . 0.62353 8.34732 -1.50539 1 0 0 114 A
-ATOM 887 CG2 . ILE A 1 114 . 2.08913 10.4551 -1.35791 1 0 0 114 A
-ATOM 888 CD1 . ILE A 1 114 . 1.33516 7.7786 -2.74705 1 0 0 114 A
-ATOM 889 N . SER A 1 115 . -0.764974 12.7823 -1.0014 1 0 0 115 A
-ATOM 890 CA . SER A 1 115 . -0.688033 14.2259 -0.857701 1 0 0 115 A
-ATOM 891 C . SER A 1 115 . -1.28971 14.6857 0.467852 1 0 0 115 A
-ATOM 892 O . SER A 1 115 . -0.752826 15.5765 1.13545 1 0 0 115 A
-ATOM 893 CB . SER A 1 115 . -1.35645 14.9491 -2.06755 1 0 0 115 A
-ATOM 894 OG . SER A 1 115 . -0.638117 14.7496 -3.28783 1 0 0 115 A
-ATOM 895 N . GLU A 1 116 . -2.41717 14.0778 0.856316 1 0 0 116 A
-ATOM 896 CA . GLU A 1 116 . -3.05979 14.4331 2.12005 1 0 0 116 A
-ATOM 897 C . GLU A 1 116 . -2.16208 14.0769 3.29602 1 0 0 116 A
-ATOM 898 O . GLU A 1 116 . -2.00641 14.8619 4.24276 1 0 0 116 A
-ATOM 899 CB . GLU A 1 116 . -4.43399 13.722 2.21171 1 0 0 116 A
-ATOM 900 CG . GLU A 1 116 . -5.58462 14.3639 1.37642 1 0 0 116 A
-ATOM 901 CD . GLU A 1 116 . -6.91798 13.6138 1.39625 1 0 0 116 A
-ATOM 902 OE1 . GLU A 1 116 . -6.91341 12.5372 2.05093 1 0 0 116 A
-ATOM 903 OE2 . GLU A 1 116 . -7.90303 14.0705 0.776925 1 0 0 116 A
-ATOM 904 N . GLY A 1 117 . -1.56425 12.8816 3.25416 1 0 0 117 A
-ATOM 905 CA . GLY A 1 117 . -0.684346 12.4711 4.33456 1 0 0 117 A
-ATOM 906 C . GLY A 1 117 . 0.530879 13.3729 4.45441 1 0 0 117 A
-ATOM 907 O . GLY A 1 117 . 0.930124 13.7465 5.56326 1 0 0 117 A
-ATOM 908 N . GLU A 1 118 . 1.14161 13.7186 3.32275 1 0 0 118 A
-ATOM 909 CA . GLU A 1 118 . 2.31763 14.5808 3.3405 1 0 0 118 A
-ATOM 910 C . GLU A 1 118 . 1.97101 15.9418 3.9227 1 0 0 118 A
-ATOM 911 O . GLU A 1 118 . 2.72588 16.4967 4.73325 1 0 0 118 A
-ATOM 912 CB . GLU A 1 118 . 2.887 14.7 1.90379 1 0 0 118 A
-ATOM 913 CG . GLU A 1 118 . 4.27155 15.4083 1.78165 1 0 0 118 A
-ATOM 914 CD . GLU A 1 118 . 4.90759 15.388 0.390264 1 0 0 118 A
-ATOM 915 OE1 . GLU A 1 118 . 4.12065 15.0996 -0.550581 1 0 0 118 A
-ATOM 916 OE2 . GLU A 1 118 . 6.12654 15.6296 0.255019 1 0 0 118 A
-ATOM 917 N . GLU A 1 119 . 0.839639 16.5131 3.5118 1 0 0 119 A
-ATOM 918 CA . GLU A 1 119 . 0.430126 17.8544 4.03649 1 0 0 119 A
-ATOM 919 C . GLU A 1 119 . 0.224777 17.7317 5.54738 1 0 0 119 A
-ATOM 920 O . GLU A 1 119 . 0.594679 18.7141 6.25814 1 0 0 119 A
-ATOM 921 CB . GLU A 1 119 . -0.852713 18.3506 3.32192 1 0 0 119 A
-ATOM 922 CG . GLU A 1 119 . -0.729387 18.5636 1.78145 1 0 0 119 A
-ATOM 923 CD . GLU A 1 119 . 0.264822 19.6382 1.33694 1 0 0 119 A
-ATOM 924 OE1 . GLU A 1 119 . 0.523652 20.5152 2.20384 1 0 0 119 A
-ATOM 925 OE2 . GLU A 1 119 . 0.741536 19.6113 0.181724 1 0 0 119 A
-ATOM 926 N . GLU A 1 120 . -0.354094 16.6349 6.02799 1 0 0 120 A
-ATOM 927 CA . GLU A 1 120 . -0.572794 16.5014 7.46321 1 0 0 120 A
-ATOM 928 C . GLU A 1 120 . 0.746846 16.3638 8.2092 1 0 0 120 A
-ATOM 929 O . GLU A 1 120 . 0.924047 16.943 9.28928 1 0 0 120 A
-ATOM 930 CB . GLU A 1 120 . -1.50526 15.29 7.71934 1 0 0 120 A
-ATOM 931 CG . GLU A 1 120 . -2.96912 15.4422 7.20208 1 0 0 120 A
-ATOM 932 CD . GLU A 1 120 . -3.82571 14.1754 7.25044 1 0 0 120 A
-ATOM 933 OE1 . GLU A 1 120 . -3.31405 13.2105 7.87879 1 0 0 120 A
-ATOM 934 OE2 . GLU A 1 120 . -4.93596 14.1475 6.6768 1 0 0 120 A
-ATOM 935 N . ALA A 1 121 . 1.6823 15.574 7.66091 1 0 0 121 A
-ATOM 936 CA . ALA A 1 121 . 2.99106 15.4528 8.29558 1 0 0 121 A
-ATOM 937 C . ALA A 1 121 . 3.70368 16.7829 8.36376 1 0 0 121 A
-ATOM 938 O . ALA A 1 121 . 4.29167 17.1499 9.39943 1 0 0 121 A
-ATOM 939 CB . ALA A 1 121 . 3.84736 14.3989 7.54812 1 0 0 121 A
-ATOM 940 N . LYS A 1 122 . 3.65383 17.5567 7.26857 1 0 0 122 A
-ATOM 941 CA . LYS A 1 122 . 4.30042 18.862 7.27363 1 0 0 122 A
-ATOM 942 C . LYS A 1 122 . 3.66563 19.764 8.31943 1 0 0 122 A
-ATOM 943 O . LYS A 1 122 . 4.37731 20.4558 9.07078 1 0 0 122 A
-ATOM 944 CB . LYS A 1 122 . 4.21931 19.497 5.851 1 0 0 122 A
-ATOM 945 CG . LYS A 1 122 . 5.1501 18.8818 4.78947 1 0 0 122 A
-ATOM 946 CD . LYS A 1 122 . 5.1518 19.657 3.45879 1 0 0 122 A
-ATOM 947 CE . LYS A 1 122 . 6.18302 19.1109 2.46922 1 0 0 122 A
-ATOM 948 NZ . LYS A 1 122 . 6.31295 20.0048 1.32222 1 0 0 122 A
-ATOM 949 N . LYS A 1 123 . 2.34051 19.7998 8.3735 1 0 0 123 A
-ATOM 950 CA . LYS A 1 123 . 1.65467 20.6962 9.33606 1 0 0 123 A
-ATOM 951 C . LYS A 1 123 . 2.02058 20.2756 10.7573 1 0 0 123 A
-ATOM 952 O . LYS A 1 123 . 2.01137 21.1526 11.6458 1 0 0 123 A
-ATOM 953 CB . LYS A 1 123 . 0.111211 20.6601 9.11239 1 0 0 123 A
-ATOM 954 CG . LYS A 1 123 . -0.400709 21.3929 7.85844 1 0 0 123 A
-ATOM 955 CD . LYS A 1 123 . -1.93567 21.387 7.73411 1 0 0 123 A
-ATOM 956 CE . LYS A 1 123 . -2.43004 22.2801 6.59445 1 0 0 123 A
-ATOM 957 NZ . LYS A 1 123 . -3.88796 22.3577 6.60253 1 0 0 123 A
-ATOM 958 N . LYS A 1 124 . 2.33569 19.0116 11.0346 1 0 0 124 A
-ATOM 959 CA . LYS A 1 124 . 2.71223 18.5518 12.3844 1 0 0 124 A
-ATOM 960 C . LYS A 1 124 . 4.22823 18.5652 12.5909 1 0 0 124 A
-ATOM 961 O . LYS A 1 124 . 4.68531 18.1241 13.648 1 0 0 124 A
-ATOM 962 CB . LYS A 1 124 . 2.11951 17.1279 12.618 1 0 0 124 A
-ATOM 963 CG . LYS A 1 124 . 0.582394 17.0401 12.6522 1 0 0 124 A
-ATOM 964 CD . LYS A 1 124 . 0.061132 15.6515 13.0666 1 0 0 124 A
-ATOM 965 CE . LYS A 1 124 . 0.425576 14.5669 12.0508 1 0 0 124 A
-ATOM 966 NZ . LYS A 1 124 . -0.129633 13.2793 12.4576 1 0 0 124 A
-ATOM 967 N . ASN A 1 125 . 4.98268 19.104 11.6118 1 0 0 125 A
-ATOM 968 CA . ASN A 1 125 . 6.43508 19.3571 11.7292 1 0 0 125 A
-ATOM 969 C . ASN A 1 125 . 7.15071 18.0377 11.9381 1 0 0 125 A
-ATOM 970 O . ASN A 1 125 . 8.05391 17.9213 12.8006 1 0 0 125 A
-ATOM 971 CB . ASN A 1 125 . 6.67741 20.3732 12.8878 1 0 0 125 A
-ATOM 972 CG . ASN A 1 125 . 8.08159 20.9805 12.9093 1 0 0 125 A
-ATOM 973 OD1 . ASN A 1 125 . 8.80899 21.0014 11.9177 1 0 0 125 A
-ATOM 974 ND2 . ASN A 1 125 . 8.49403 21.484 14.0921 1 0 0 125 A
-ATOM 975 N . LYS A 1 126 . 6.73731 17.0106 11.1963 1 0 0 126 A
-ATOM 976 CA . LYS A 1 126 . 7.38444 15.6687 11.2507 1 0 0 126 A
-ATOM 977 C . LYS A 1 126 . 7.78816 15.2502 9.86267 1 0 0 126 A
-ATOM 978 O . LYS A 1 126 . 7.12609 15.5547 8.87771 1 0 0 126 A
-ATOM 979 CB . LYS A 1 126 . 6.41994 14.6286 11.8999 1 0 0 126 A
-ATOM 980 CG . LYS A 1 126 . 6.03767 14.8953 13.3676 1 0 0 126 A
-ATOM 981 CD . LYS A 1 126 . 7.21449 14.7179 14.345 1 0 0 126 A
-ATOM 982 CE . LYS A 1 126 . 6.78306 14.8592 15.8061 1 0 0 126 A
-ATOM 983 NZ . LYS A 1 126 . 7.90814 14.5949 16.6983 1 0 0 126 A
-ATOM 984 N . PRO A 1 127 . 8.88049 14.4816 9.78753 1 0 0 127 A
-ATOM 985 CA . PRO A 1 127 . 9.31662 13.8841 8.52721 1 0 0 127 A
-ATOM 986 C . PRO A 1 127 . 8.28224 12.8912 8.03715 1 0 0 127 A
-ATOM 987 O . PRO A 1 127 . 7.70622 12.1253 8.81885 1 0 0 127 A
-ATOM 988 CB . PRO A 1 127 . 10.6361 13.1898 8.91265 1 0 0 127 A
-ATOM 989 CG . PRO A 1 127 . 11.1791 14.0235 10.075 1 0 0 127 A
-ATOM 990 CD . PRO A 1 127 . 9.91745 14.4005 10.8541 1 0 0 127 A
-ATOM 991 N . PHE A 1 128 . 8.03351 12.8993 6.73068 1 0 0 128 A
-ATOM 992 CA . PHE A 1 128 . 7.01901 12.0563 6.11793 1 0 0 128 A
-ATOM 993 C . PHE A 1 128 . 7.66061 10.9549 5.28696 1 0 0 128 A
-ATOM 994 O . PHE A 1 128 . 8.53586 11.2173 4.45181 1 0 0 128 A
-ATOM 995 CB . PHE A 1 128 . 6.05055 12.9472 5.28013 1 0 0 128 A
-ATOM 996 CG . PHE A 1 128 . 5.08287 12.1379 4.45028 1 0 0 128 A
-ATOM 997 CD1 . PHE A 1 128 . 3.98078 11.5033 5.05917 1 0 0 128 A
-ATOM 998 CD2 . PHE A 1 128 . 5.28725 11.9679 3.06557 1 0 0 128 A
-ATOM 999 CE1 . PHE A 1 128 . 3.11061 10.7065 4.3055 1 0 0 128 A
-ATOM 1000 CE2 . PHE A 1 128 . 4.42089 11.1691 2.30966 1 0 0 128 A
-ATOM 1001 CZ . PHE A 1 128 . 3.33058 10.5369 2.93334 1 0 0 128 A
-ATOM 1002 N . ILE A 1 129 . 7.23374 9.71581 5.52769 1 0 0 129 A
-ATOM 1003 CA . ILE A 1 129 . 7.65509 8.55521 4.75525 1 0 0 129 A
-ATOM 1004 C . ILE A 1 129 . 6.42631 7.86637 4.1794 1 0 0 129 A
-ATOM 1005 O . ILE A 1 129 . 5.47328 7.58289 4.91844 1 0 0 129 A
-ATOM 1006 CB . ILE A 1 129 . 8.548 7.59342 5.61697 1 0 0 129 A
-ATOM 1007 CG1 . ILE A 1 129 . 9.73192 8.30679 6.31835 1 0 0 129 A
-ATOM 1008 CG2 . ILE A 1 129 . 8.99974 6.31445 4.86685 1 0 0 129 A
-ATOM 1009 CD1 . ILE A 1 129 . 10.7376 8.95605 5.34952 1 0 0 129 A
-ATOM 1010 N . LEU A 1 130 . 6.4314 7.62739 2.87166 1 0 0 130 A
-ATOM 1011 CA . LEU A 1 130 . 5.29666 7.0311 2.16749 1 0 0 130 A
-ATOM 1012 C . LEU A 1 130 . 5.69407 5.67243 1.61675 1 0 0 130 A
-ATOM 1013 O . LEU A 1 130 . 6.67477 5.56185 0.864106 1 0 0 130 A
-ATOM 1014 CB . LEU A 1 130 . 4.823 7.99728 1.05185 1 0 0 130 A
-ATOM 1015 CG . LEU A 1 130 . 3.77466 7.4642 0.0422404 1 0 0 130 A
-ATOM 1016 CD1 . LEU A 1 130 . 2.44158 7.16961 0.754783 1 0 0 130 A
-ATOM 1017 CD2 . LEU A 1 130 . 3.4793 8.46742 -1.08821 1 0 0 130 A
-ATOM 1018 N . ILE A 1 131 . 4.94562 4.64181 1.99369 1 0 0 131 A
-ATOM 1019 CA . ILE A 1 131 . 5.20617 3.2716 1.55392 1 0 0 131 A
-ATOM 1020 C . ILE A 1 131 . 4.03542 2.81888 0.692566 1 0 0 131 A
-ATOM 1021 O . ILE A 1 131 . 2.8929 2.75078 1.16766 1 0 0 131 A
-ATOM 1022 CB . ILE A 1 131 . 5.47969 2.31318 2.76698 1 0 0 131 A
-ATOM 1023 CG1 . ILE A 1 131 . 6.37268 2.94219 3.86671 1 0 0 131 A
-ATOM 1024 CG2 . ILE A 1 131 . 5.96956 0.901537 2.35491 1 0 0 131 A
-ATOM 1025 CD1 . ILE A 1 131 . 7.81218 3.24473 3.41073 1 0 0 131 A
-ATOM 1026 N . LEU A 1 132 . 4.31727 2.50254 -0.570663 1 0 0 132 A
-ATOM 1027 CA . LEU A 1 132 . 3.31678 2.02785 -1.51915 1 0 0 132 A
-ATOM 1028 C . LEU A 1 132 . 3.54136 0.541953 -1.77361 1 0 0 132 A
-ATOM 1029 O . LEU A 1 132 . 4.66019 0.124301 -2.08443 1 0 0 132 A
-ATOM 1030 CB . LEU A 1 132 . 3.39859 2.86216 -2.82289 1 0 0 132 A
-ATOM 1031 CG . LEU A 1 132 . 2.98294 4.35333 -2.74448 1 0 0 132 A
-ATOM 1032 CD1 . LEU A 1 132 . 3.68392 5.16684 -3.8483 1 0 0 132 A
-ATOM 1033 CD2 . LEU A 1 132 . 1.4661 4.55409 -2.91902 1 0 0 132 A
-ATOM 1034 N . VAL A 1 133 . 2.47343 -0.24931 -1.64859 1 0 0 133 A
-ATOM 1035 CA . VAL A 1 133 . 2.54609 -1.70152 -1.78032 1 0 0 133 A
-ATOM 1036 C . VAL A 1 133 . 1.56734 -2.19103 -2.83048 1 0 0 133 A
-ATOM 1037 O . VAL A 1 133 . 0.426622 -1.72253 -2.90376 1 0 0 133 A
-ATOM 1038 CB . VAL A 1 133 . 2.28288 -2.38886 -0.393527 1 0 0 133 A
-ATOM 1039 CG1 . VAL A 1 133 . 2.52466 -3.90976 -0.393151 1 0 0 133 A
-ATOM 1040 CG2 . VAL A 1 133 . 3.11777 -1.75723 0.735893 1 0 0 133 A
-ATOM 1041 N . ARG A 1 134 . 2.02124 -3.14355 -3.64627 1 0 0 134 A
-ATOM 1042 CA . ARG A 1 134 . 1.17015 -3.87262 -4.57987 1 0 0 134 A
-ATOM 1043 C . ARG A 1 134 . 1.36582 -5.36742 -4.36373 1 0 0 134 A
-ATOM 1044 O . ARG A 1 134 . 2.42396 -5.80988 -3.90674 1 0 0 134 A
-ATOM 1045 CB . ARG A 1 134 . 1.45404 -3.44645 -6.05343 1 0 0 134 A
-ATOM 1046 CG . ARG A 1 134 . 0.800595 -2.11826 -6.51323 1 0 0 134 A
-ATOM 1047 CD . ARG A 1 134 . 0.94897 -1.83554 -8.01977 1 0 0 134 A
-ATOM 1048 NE . ARG A 1 134 . 0.164239 -0.591558 -8.31421 1 0 0 134 A
-ATOM 1049 CZ . ARG A 1 134 . 0.682962 0.640071 -8.21614 1 0 0 134 A
-ATOM 1050 NH1 . ARG A 1 134 . 1.95329 0.755742 -7.83961 1 0 0 134 A
-ATOM 1051 NH2 . ARG A 1 134 . -0.0217235 1.72984 -8.5072 1 0 0 134 A
-ATOM 1052 N . PRO A 1 135 . 0.329623 -6.14064 -4.68325 1 0 0 135 A
-ATOM 1053 CA . PRO A 1 135 . 0.32173 -7.56688 -4.34963 1 0 0 135 A
-ATOM 1054 C . PRO A 1 135 . 1.29686 -8.31861 -5.24225 1 0 0 135 A
-ATOM 1055 O . PRO A 1 135 . 1.27325 -8.18824 -6.4751 1 0 0 135 A
-ATOM 1056 CB . PRO A 1 135 . -1.13675 -7.97706 -4.62566 1 0 0 135 A
-ATOM 1057 CG . PRO A 1 135 . -1.66018 -6.90151 -5.57965 1 0 0 135 A
-ATOM 1058 CD . PRO A 1 135 . -1.0012 -5.62231 -5.05976 1 0 0 135 A
-ATOM 1059 N . SER A 1 136 . 2.14354 -9.11168 -4.61864 1 0 0 136 A
-ATOM 1060 CA . SER A 1 136 . 3.08504 -9.97412 -5.32631 1 0 0 136 A
-ATOM 1061 C . SER A 1 136 . 3.62245 -11.041 -4.39733 1 0 0 136 A
-ATOM 1062 O . SER A 1 136 . 3.69601 -10.8595 -3.18757 1 0 0 136 A
-ATOM 1063 CB . SER A 1 136 . 4.24002 -9.15479 -5.98076 1 0 0 136 A
-ATOM 1064 OG . SER A 1 136 . 5.12055 -9.97411 -6.75423 1 0 0 136 A
-ATOM 1065 N . THR A 1 137 . 4.00261 -12.173 -4.99558 1 0 0 137 A
-ATOM 1066 CA . THR A 1 137 . 4.52688 -13.3122 -4.24687 1 0 0 137 A
-ATOM 1067 C . THR A 1 137 . 5.97309 -13.6459 -4.60021 1 0 0 137 A
-ATOM 1068 O . THR A 1 137 . 6.509 -14.64 -4.09099 1 0 0 137 A
-ATOM 1069 CB . THR A 1 137 . 3.56906 -14.5492 -4.37847 1 0 0 137 A
-ATOM 1070 OG1 . THR A 1 137 . 3.30513 -14.8842 -5.74339 1 0 0 137 A
-ATOM 1071 CG2 . THR A 1 137 . 2.22235 -14.4311 -3.66201 1 0 0 137 A
-ATOM 1072 N . ASP A 1 138 . 6.6152 -12.8448 -5.44819 1 0 0 138 A
-ATOM 1073 CA . ASP A 1 138 . 8.00141 -13.0795 -5.83485 1 0 0 138 A
-ATOM 1074 C . ASP A 1 138 . 8.90456 -12.6052 -4.70242 1 0 0 138 A
-ATOM 1075 O . ASP A 1 138 . 9.03404 -11.3969 -4.45759 1 0 0 138 A
-ATOM 1076 CB . ASP A 1 138 . 8.2837 -12.3908 -7.20582 1 0 0 138 A
-ATOM 1077 CG . ASP A 1 138 . 9.64149 -12.7638 -7.77827 1 0 0 138 A
-ATOM 1078 OD1 . ASP A 1 138 . 10.5333 -13.1545 -6.97854 1 0 0 138 A
-ATOM 1079 OD2 . ASP A 1 138 . 9.86206 -12.4883 -8.97742 1 0 0 138 A
-ATOM 1080 N . GLU A 1 139 . 9.57039 -13.5612 -4.02635 1 0 0 139 A
-ATOM 1081 CA . GLU A 1 139 . 10.4648 -13.1751 -2.93218 1 0 0 139 A
-ATOM 1082 C . GLU A 1 139 . 11.6337 -12.3272 -3.42324 1 0 0 139 A
-ATOM 1083 O . GLU A 1 139 . 12.0312 -11.3643 -2.74448 1 0 0 139 A
-ATOM 1084 CB . GLU A 1 139 . 10.9504 -14.4617 -2.21714 1 0 0 139 A
-ATOM 1085 CG . GLU A 1 139 . 9.83702 -15.3223 -1.54378 1 0 0 139 A
-ATOM 1086 CD . GLU A 1 139 . 10.3178 -16.5808 -0.818453 1 0 0 139 A
-ATOM 1087 OE1 . GLU A 1 139 . 11.5692 -16.7092 -0.747857 1 0 0 139 A
-ATOM 1088 OE2 . GLU A 1 139 . 9.48787 -17.3976 -0.364037 1 0 0 139 A
-ATOM 1089 N . GLU A 1 140 . 12.1941 -12.6613 -4.58452 1 0 0 140 A
-ATOM 1090 CA . GLU A 1 140 . 13.293 -11.866 -5.11274 1 0 0 140 A
-ATOM 1091 C . GLU A 1 140 . 12.865 -10.4225 -5.35365 1 0 0 140 A
-ATOM 1092 O . GLU A 1 140 . 13.5912 -9.47952 -5.01724 1 0 0 140 A
-ATOM 1093 CB . GLU A 1 140 . 13.8161 -12.5331 -6.41037 1 0 0 140 A
-ATOM 1094 CG . GLU A 1 140 . 15.0381 -11.8357 -7.08411 1 0 0 140 A
-ATOM 1095 CD . GLU A 1 140 . 15.5678 -12.5049 -8.35395 1 0 0 140 A
-ATOM 1096 OE1 . GLU A 1 140 . 15.0761 -13.6378 -8.60344 1 0 0 140 A
-ATOM 1097 OE2 . GLU A 1 140 . 16.4374 -11.9338 -9.04699 1 0 0 140 A
-ATOM 1098 N . GLU A 1 141 . 11.6861 -10.2282 -5.94918 1 0 0 141 A
-ATOM 1099 CA . GLU A 1 141 . 11.2038 -8.89059 -6.19466 1 0 0 141 A
-ATOM 1100 C . GLU A 1 141 . 10.9056 -8.15959 -4.89153 1 0 0 141 A
-ATOM 1101 O . GLU A 1 141 . 11.1756 -6.95952 -4.76551 1 0 0 141 A
-ATOM 1102 CB . GLU A 1 141 . 9.953 -8.9701 -7.10664 1 0 0 141 A
-ATOM 1103 CG . GLU A 1 141 . 9.37897 -7.60176 -7.58804 1 0 0 141 A
-ATOM 1104 CD . GLU A 1 141 . 10.324 -6.7454 -8.43325 1 0 0 141 A
-ATOM 1105 OE1 . GLU A 1 141 . 11.3448 -7.34572 -8.86374 1 0 0 141 A
-ATOM 1106 OE2 . GLU A 1 141 . 10.0643 -5.53964 -8.63614 1 0 0 141 A
-ATOM 1107 N . ALA A 1 142 . 10.3562 -8.86514 -3.91069 1 0 0 142 A
-ATOM 1108 CA . ALA A 1 142 . 10.0904 -8.22782 -2.62332 1 0 0 142 A
-ATOM 1109 C . ALA A 1 142 . 11.3478 -7.78339 -1.91172 1 0 0 142 A
-ATOM 1110 O . ALA A 1 142 . 11.3916 -6.70136 -1.33278 1 0 0 142 A
-ATOM 1111 CB . ALA A 1 142 . 9.25965 -9.19165 -1.73822 1 0 0 142 A
-ATOM 1112 N . GLN A 1 143 . 12.3982 -8.61885 -1.93922 1 0 0 143 A
-ATOM 1113 CA . GLN A 1 143 . 13.6686 -8.23429 -1.30524 1 0 0 143 A
-ATOM 1114 C . GLN A 1 143 . 14.3016 -7.0575 -2.01853 1 0 0 143 A
-ATOM 1115 O . GLN A 1 143 . 14.8111 -6.14341 -1.368 1 0 0 143 A
-ATOM 1116 CB . GLN A 1 143 . 14.6116 -9.46416 -1.28136 1 0 0 143 A
-ATOM 1117 CG . GLN A 1 143 . 15.9154 -9.29013 -0.461346 1 0 0 143 A
-ATOM 1118 CD . GLN A 1 143 . 15.6521 -9.18843 1.04239 1 0 0 143 A
-ATOM 1119 OE1 . GLN A 1 143 . 15.0525 -10.0729 1.6515 1 0 0 143 A
-ATOM 1120 NE2 . GLN A 1 143 . 16.1168 -8.08688 1.66942 1 0 0 143 A
-ATOM 1121 N . ARG A 1 144 . 14.2671 -7.05837 -3.34877 1 0 0 144 A
-ATOM 1122 CA . ARG A 1 144 . 14.8297 -5.93336 -4.09982 1 0 0 144 A
-ATOM 1123 C . ARG A 1 144 . 14.1016 -4.63411 -3.76897 1 0 0 144 A
-ATOM 1124 O . ARG A 1 144 . 14.7411 -3.59662 -3.55431 1 0 0 144 A
-ATOM 1125 CB . ARG A 1 144 . 14.8111 -6.2487 -5.6275 1 0 0 144 A
-ATOM 1126 CG . ARG A 1 144 . 15.5722 -5.24949 -6.53565 1 0 0 144 A
-ATOM 1127 CD . ARG A 1 144 . 15.418 -5.52917 -8.04216 1 0 0 144 A
-ATOM 1128 NE . ARG A 1 144 . 13.9569 -5.4198 -8.36347 1 0 0 144 A
-ATOM 1129 CZ . ARG A 1 144 . 13.3668 -4.26437 -8.69877 1 0 0 144 A
-ATOM 1130 NH1 . ARG A 1 144 . 14.119 -3.16853 -8.74644 1 0 0 144 A
-ATOM 1131 NH2 . ARG A 1 144 . 12.0748 -4.19275 -9.006 1 0 0 144 A
-ATOM 1132 N . GLU A 1 145 . 12.7743 -4.68802 -3.69843 1 0 0 145 A
-ATOM 1133 CA . GLU A 1 145 . 12.0077 -3.49346 -3.35678 1 0 0 145 A
-ATOM 1134 C . GLU A 1 145 . 12.3447 -3.01398 -1.9437 1 0 0 145 A
-ATOM 1135 O . GLU A 1 145 . 12.4988 -1.80559 -1.70719 1 0 0 145 A
-ATOM 1136 CB . GLU A 1 145 . 10.4964 -3.80001 -3.51306 1 0 0 145 A
-ATOM 1137 CG . GLU A 1 145 . 9.99417 -3.99723 -4.97679 1 0 0 145 A
-ATOM 1138 CD . GLU A 1 145 . 9.79849 -2.7162 -5.79016 1 0 0 145 A
-ATOM 1139 OE1 . GLU A 1 145 . 10.0897 -1.65087 -5.18364 1 0 0 145 A
-ATOM 1140 OE2 . GLU A 1 145 . 9.36215 -2.77731 -6.95994 1 0 0 145 A
-ATOM 1141 N . ALA A 1 146 . 12.4569 -3.94843 -0.998744 1 0 0 146 A
-ATOM 1142 CA . ALA A 1 146 . 12.83 -3.55611 0.356709 1 0 0 146 A
-ATOM 1143 C . ALA A 1 146 . 14.1889 -2.89494 0.406516 1 0 0 146 A
-ATOM 1144 O . ALA A 1 146 . 14.3747 -1.87636 1.08298 1 0 0 146 A
-ATOM 1145 CB . ALA A 1 146 . 12.7759 -4.79082 1.29215 1 0 0 146 A
-ATOM 1146 N . ASP A 1 147 . 15.1594 -3.46915 -0.303449 1 0 0 147 A
-ATOM 1147 CA . ASP A 1 147 . 16.5062 -2.87562 -0.327947 1 0 0 147 A
-ATOM 1148 C . ASP A 1 147 . 16.5042 -1.49159 -0.960154 1 0 0 147 A
-ATOM 1149 O . ASP A 1 147 . 17.079 -0.557037 -0.452464 1 0 0 147 A
-ATOM 1150 CB . ASP A 1 147 . 17.4559 -3.89508 -1.0297 1 0 0 147 A
-ATOM 1151 CG . ASP A 1 147 . 17.7064 -5.13535 -0.187447 1 0 0 147 A
-ATOM 1152 OD1 . ASP A 1 147 . 17.4776 -5.06617 1.04967 1 0 0 147 A
-ATOM 1153 OD2 . ASP A 1 147 . 18.2989 -6.09446 -0.727405 1 0 0 147 A
-ATOM 1154 N . GLU A 1 148 . 15.7664 -1.35501 -2.07526 1 0 0 148 A
-ATOM 1155 CA . GLU A 1 148 . 15.6742 -0.0527212 -2.71831 1 0 0 148 A
-ATOM 1156 C . GLU A 1 148 . 15.0155 0.969171 -1.79895 1 0 0 148 A
-ATOM 1157 O . GLU A 1 148 . 15.4698 2.12078 -1.71683 1 0 0 148 A
-ATOM 1158 CB . GLU A 1 148 . 14.9015 -0.204746 -4.0534 1 0 0 148 A
-ATOM 1159 CG . GLU A 1 148 . 15.6594 -0.955478 -5.19164 1 0 0 148 A
-ATOM 1160 CD . GLU A 1 148 . 14.8432 -1.24863 -6.4521 1 0 0 148 A
-ATOM 1161 OE1 . GLU A 1 148 . 13.6264 -0.928602 -6.38472 1 0 0 148 A
-ATOM 1162 OE2 . GLU A 1 148 . 15.3887 -1.78377 -7.44134 1 0 0 148 A
-ATOM 1163 N . ALA A 1 149 . 13.9637 0.566227 -1.09354 1 0 0 149 A
-ATOM 1164 CA . ALA A 1 149 . 13.3141 1.47744 -0.156386 1 0 0 149 A
-ATOM 1165 C . ALA A 1 149 . 14.2589 1.89702 0.962616 1 0 0 149 A
-ATOM 1166 O . ALA A 1 149 . 14.2996 3.07246 1.34207 1 0 0 149 A
-ATOM 1167 CB . ALA A 1 149 . 12.0283 0.826417 0.414016 1 0 0 149 A
-ATOM 1168 N . GLU A 1 150 . 15.0269 0.951827 1.50881 1 0 0 150 A
-ATOM 1169 CA . GLU A 1 150 . 15.9607 1.2843 2.5589 1 0 0 150 A
-ATOM 1170 C . GLU A 1 150 . 17.0296 2.25773 2.04279 1 0 0 150 A
-ATOM 1171 O . GLU A 1 150 . 17.3876 3.21802 2.72908 1 0 0 150 A
-ATOM 1172 CB . GLU A 1 150 . 16.5914 -0.0187572 3.11281 1 0 0 150 A
-ATOM 1173 CG . GLU A 1 150 . 17.6145 0.166375 4.27576 1 0 0 150 A
-ATOM 1174 CD . GLU A 1 150 . 18.1372 -1.12308 4.91217 1 0 0 150 A
-ATOM 1175 OE1 . GLU A 1 150 . 17.6833 -2.18615 4.41077 1 0 0 150 A
-ATOM 1176 OE2 . GLU A 1 150 . 18.9405 -1.06892 5.86837 1 0 0 150 A
-ATOM 1177 N . LYS A 1 151 . 17.5118 2.00769 0.833164 1 0 0 151 A
-ATOM 1178 CA . LYS A 1 151 . 18.5721 2.89212 0.253788 1 0 0 151 A
-ATOM 1179 C . LYS A 1 151 . 17.9917 4.27891 0.0315155 1 0 0 151 A
-ATOM 1180 O . LYS A 1 151 . 18.7031 5.27826 0.279401 1 0 0 151 A
-ATOM 1181 CB . LYS A 1 151 . 19.1245 2.28781 -1.07411 1 0 0 151 A
-ATOM 1182 CG . LYS A 1 151 . 20.0343 1.05482 -0.920812 1 0 0 151 A
-ATOM 1183 CD . LYS A 1 151 . 20.4225 0.413836 -2.26618 1 0 0 151 A
-ATOM 1184 CE . LYS A 1 151 . 21.3031 -0.824505 -2.08747 1 0 0 151 A
-ATOM 1185 NZ . LYS A 1 151 . 21.5492 -1.46597 -3.37572 1 0 0 151 A
-ATOM 1186 N . LYS A 1 152 . 16.7494 4.38878 -0.468832 1 0 0 152 A
-ATOM 1187 CA . LYS A 1 152 . 16.1341 5.68934 -0.670309 1 0 0 152 A
-ATOM 1188 C . LYS A 1 152 . 15.9356 6.41353 0.656375 1 0 0 152 A
-ATOM 1189 O . LYS A 1 152 . 16.1733 7.63512 0.751296 1 0 0 152 A
-ATOM 1190 CB . LYS A 1 152 . 14.7823 5.51163 -1.42841 1 0 0 152 A
-ATOM 1191 CG . LYS A 1 152 . 14.8938 5.22597 -2.93757 1 0 0 152 A
-ATOM 1192 CD . LYS A 1 152 . 13.5296 5.17731 -3.65027 1 0 0 152 A
-ATOM 1193 CE . LYS A 1 152 . 13.6687 4.95392 -5.15746 1 0 0 152 A
-ATOM 1194 NZ . LYS A 1 152 . 12.3529 4.85284 -5.78202 1 0 0 152 A
-ATOM 1195 N . ILE A 1 153 . 15.4799 5.69391 1.68715 1 0 0 153 A
-ATOM 1196 CA . ILE A 1 153 . 15.329 6.31391 2.99657 1 0 0 153 A
-ATOM 1197 C . ILE A 1 153 . 16.6196 6.89074 3.53662 1 0 0 153 A
-ATOM 1198 O . ILE A 1 153 . 16.6541 8.01456 4.05995 1 0 0 153 A
-ATOM 1199 CB . ILE A 1 153 . 14.6659 5.27855 3.97296 1 0 0 153 A
-ATOM 1200 CG1 . ILE A 1 153 . 13.1736 4.99841 3.66152 1 0 0 153 A
-ATOM 1201 CG2 . ILE A 1 153 . 14.8999 5.59014 5.47319 1 0 0 153 A
-ATOM 1202 CD1 . ILE A 1 153 . 12.2581 6.22714 3.81497 1 0 0 153 A
-ATOM 1203 N . GLU A 1 154 . 17.6879 6.1458 3.40385 1 0 0 154 A
-ATOM 1204 CA . GLU A 1 154 . 18.9885 6.64467 3.85578 1 0 0 154 A
-ATOM 1205 C . GLU A 1 154 . 19.3903 7.87936 3.07178 1 0 0 154 A
-ATOM 1206 O . GLU A 1 154 . 19.8487 8.87283 3.64741 1 0 0 154 A
-ATOM 1207 CB . GLU A 1 154 . 20.0412 5.5146 3.72482 1 0 0 154 A
-ATOM 1208 CG . GLU A 1 154 . 19.8123 4.26834 4.63477 1 0 0 154 A
-ATOM 1209 CD . GLU A 1 154 . 20.8288 3.13559 4.4778 1 0 0 154 A
-ATOM 1210 OE1 . GLU A 1 154 . 21.6566 3.28935 3.54044 1 0 0 154 A
-ATOM 1211 OE2 . GLU A 1 154 . 20.7853 2.14494 5.23886 1 0 0 154 A
-ATOM 1212 N . GLU A 1 155 . 19.2238 7.83875 1.75502 1 0 0 155 A
-ATOM 1213 CA . GLU A 1 155 . 19.5727 8.98162 0.917553 1 0 0 155 A
-ATOM 1214 C . GLU A 1 155 . 18.8087 10.2142 1.32743 1 0 0 155 A
-ATOM 1215 O . GLU A 1 155 . 19.3887 11.3179 1.45148 1 0 0 155 A
-ATOM 1216 CB . GLU A 1 155 . 19.3136 8.61319 -0.565553 1 0 0 155 A
-ATOM 1217 CG . GLU A 1 155 . 19.5445 9.76003 -1.59756 1 0 0 155 A
-ATOM 1218 CD . GLU A 1 155 . 19.1162 9.45652 -3.0347 1 0 0 155 A
-ATOM 1219 OE1 . GLU A 1 155 . 18.6773 8.29077 -3.22442 1 0 0 155 A
-ATOM 1220 OE2 . GLU A 1 155 . 19.2311 10.3309 -3.92059 1 0 0 155 A
-ATOM 1221 N . TYR A 1 156 . 17.5044 10.0817 1.53653 1 0 0 156 A
-ATOM 1222 CA . TYR A 1 156 . 16.6855 11.2185 1.94044 1 0 0 156 A
-ATOM 1223 C . TYR A 1 156 . 17.1394 11.7656 3.28683 1 0 0 156 A
-ATOM 1224 O . TYR A 1 156 . 17.176 13.0049 3.4872 1 0 0 156 A
-ATOM 1225 CB . TYR A 1 156 . 15.1867 10.7859 1.95096 1 0 0 156 A
-ATOM 1226 CG . TYR A 1 156 . 14.2768 11.8309 2.55101 1 0 0 156 A
-ATOM 1227 CD1 . TYR A 1 156 . 13.7353 12.8548 1.74698 1 0 0 156 A
-ATOM 1228 CD2 . TYR A 1 156 . 14.0157 11.8408 3.93659 1 0 0 156 A
-ATOM 1229 CE1 . TYR A 1 156 . 12.9688 13.876 2.32124 1 0 0 156 A
-ATOM 1230 CE2 . TYR A 1 156 . 13.252 12.8646 4.50974 1 0 0 156 A
-ATOM 1231 CZ . TYR A 1 156 . 12.7315 13.8843 3.70095 1 0 0 156 A
-ATOM 1232 OH . TYR A 1 156 . 11.9851 14.9343 4.27404 1 0 0 156 A
-ATOM 1233 N . LEU A 1 157 . 17.4918 10.8748 4.23072 1 0 0 157 A
-ATOM 1234 CA . LEU A 1 157 . 18.0126 11.3002 5.5314 1 0 0 157 A
-ATOM 1235 C . LEU A 1 157 . 19.3139 12.0474 5.37767 1 0 0 157 A
-ATOM 1236 O . LEU A 1 157 . 19.5653 13.0511 6.05089 1 0 0 157 A
-ATOM 1237 CB . LEU A 1 157 . 18.1615 10.0482 6.43293 1 0 0 157 A
-ATOM 1238 CG . LEU A 1 157 . 16.8727 9.26045 6.78064 1 0 0 157 A
-ATOM 1239 CD1 . LEU A 1 157 . 17.2234 7.94026 7.49176 1 0 0 157 A
-ATOM 1240 CD2 . LEU A 1 157 . 15.9318 10.0477 7.71158 1 0 0 157 A
-ATOM 1241 N . LYS A 1 158 . 20.181 11.533 4.51286 1 0 0 158 A
-ATOM 1242 CA . LYS A 1 158 . 21.4983 12.2165 4.29941 1 0 0 158 A
-ATOM 1243 C . LYS A 1 158 . 21.2463 13.6189 3.6552 1 0 0 158 A
-ATOM 1244 O . LYS A 1 158 . 21.9572 14.5398 3.99007 1 0 0 158 A
-ATOM 1245 CB . LYS A 1 158 . 22.4311 11.3406 3.40707 1 0 0 158 A
-ATOM 1246 CG . LYS A 1 158 . 22.8796 10.0012 4.02054 1 0 0 158 A
-ATOM 1247 CD . LYS A 1 158 . 23.7801 9.1741 3.0843 1 0 0 158 A
-ATOM 1248 CE . LYS A 1 158 . 24.0734 7.77985 3.64192 1 0 0 158 A
-ATOM 1249 NZ . LYS A 1 158 . 24.7268 6.9531 2.63138 1 0 0 158 A
-ATOM 1250 N . SER A 1 159 . 20.339 13.6979 2.71765 1 0 0 159 A
-ATOM 1251 CA . SER A 1 159 . 20.0615 14.9607 2.02695 1 0 0 159 A
-ATOM 1252 C . SER A 1 159 . 19.3746 15.9842 2.92541 1 0 0 159 A
-ATOM 1253 O . SER A 1 159 . 19.4022 17.1902 2.56933 1 0 0 159 A
-ATOM 1254 CB . SER A 1 159 . 19.2384 14.7007 0.727505 1 0 0 159 A
-ATOM 1255 OG . SER A 1 159 . 17.8462 14.5091 0.99208 1 0 0 159 A
-ATOM 1256 N . LEU A 1 160 . 18.8849 15.5849 4.08927 1 0 0 160 A
-ATOM 1257 CA . LEU A 1 160 . 18.2755 16.4912 5.03188 1 0 0 160 A
-ATOM 1258 C . LEU A 1 160 . 19.318 17.5496 5.52884 1 0 0 160 A
-ATOM 1259 O . LEU A 1 160 . 20.5868 17.5475 4.75071 1 0 0 160 A
-ATOM 1260 CB . LEU A 1 160 . 17.678 15.6671 6.20075 1 0 0 160 A
-ATOM 1261 CG . LEU A 1 160 . 16.3112 14.976 5.96258 1 0 0 160 A
-ATOM 1262 CD1 . LEU A 1 160 . 15.9217 14.1181 7.18073 1 0 0 160 A
-ATOM 1263 CD2 . LEU A 1 160 . 15.1716 15.985 5.72814 1 0 0 160 A
-#

chroma/notebooks/Chroma.ipynb

@@ -1,145 +0,0 @@
-{
- "cells": [
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "# API"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "from chroma import api\n",
-    "api.register_key(\"2cdade6d058b4fd1b85fa5badb501312\")"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "# unconditional sample"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "from chroma import Chroma\n",
-    "\n",
-    "chroma = Chroma()\n",
-    "protein = chroma.sample(chain_lengths=[300])\n",
-    "\n",
-    "protein.to(\"sample.cif\")\n",
-    "\n",
-    "display(protein)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "# conditional sample"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {
-    "scrolled": true
-   },
-   "outputs": [],
-   "source": [
-    "from chroma import Chroma, conditioners\n",
-    "\n",
-    "chroma = Chroma()\n",
-    "conditioner = conditioners.SymmetryConditioner(G=\"C_3\", num_chain_neighbors=2)\n",
-    "protein = chroma.sample(\n",
-    "    chain_lengths=[100],\n",
-    "    conditioner=conditioner,\n",
-    "    langevin_factor=8,\n",
-    "    inverse_temperature=8,\n",
-    "    sde_func=\"langevin\",\n",
-    "    potts_symmetry_order=conditioner.potts_symmetry_order)\n",
-    "\n",
-    "protein.to(\"sample-C3.cif\")\n",
-    "display(protein)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "# design"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Redesign a Protein\n",
-    "from chroma import Protein, Chroma\n",
-    "chroma = Chroma()\n",
-    "\n",
-    "protein = Protein('1GFP',device='cuda')\n",
-    "protein = chroma.design(protein)\n",
-    "\n",
-    "\n",
-    "protein.to(\"1GFP-redesign.cif\")\n",
-    "display(protein)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "# Redesign"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Redesign a Protein\n",
-    "from chroma import Protein, Chroma\n",
-    "chroma = Chroma()\n",
-    "\n",
-    "protein = Protein('sample.cif',device='cuda') # PDB is fine too\n",
-    "protein = chroma.design(protein, design_selection=\"resid 20-50 around 5.0\") #  5 angstrom bubble around indices 20-50\n",
-    "\n",
-    "protein.to(\"my_favorite_protein_redesign.cif\")\n",
-    "display(protein)"
-   ]
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.8.0"
-  }
- },
- "nbformat": 4,
- "nbformat_minor": 4
-}

chroma/notebooks/ChromaAPI.ipynb

@@ -1,719 +0,0 @@
-{
-  "cells": [
-    {
-      "cell_type": "markdown",
-      "id": "b01cd0d5",
-      "metadata": {
-        "id": "b01cd0d5"
-      },
-      "source": [
-        "# Start using Chroma\n",
-        "\n",
-        "<div style=\"border:2px solid #f7e097; padding:10px; margin-top:20px; background-color:#fefcd5; border-radius: 5px;\">\n",
-        "    🔑 <b>Note:</b> To generate proteins with Chroma, you'll need an API key from <a href=\"https://chroma-weights.generatebiomedicines.com\">chroma-weights.generatebiomedicines.com</a>. Execute the cell below and enter your key after accepting the license.\n",
-        "</div>\n",
-        "\n",
-        "\n"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 1,
-      "id": "c6db90e2",
-      "metadata": {
-        "id": "c6db90e2"
-      },
-      "outputs": [
-        {
-          "name": "stdout",
-          "output_type": "stream",
-          "text": [
-            "Note: you may need to restart the kernel to use updated packages.\n"
-          ]
-        }
-      ],
-      "source": [
-        "import locale\n",
-        "locale.getpreferredencoding = lambda: \"UTF-8\"\n",
-        "%pip install generate-chroma > /dev/null 2>&1"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 2,
-      "id": "f15f2198",
-      "metadata": {
-        "id": "f15f2198"
-      },
-      "outputs": [
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "f8e1ed8ac9014799ad87d5e27c84b5c3",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": []
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        }
-      ],
-      "source": [
-        "import torch\n",
-        "from chroma import Chroma, Protein, conditioners, api\n",
-        "device = 'cuda' if torch.cuda.is_available() else 'cpu'\n",
-        "api.register_key(input(\"2cdade6d058b4fd1b85fa5badb501312\"))"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "f46c2848",
-      "metadata": {
-        "id": "f46c2848"
-      },
-      "source": [
-        "To generate protein samples with Chroma, initialize the model and call the sample method. The sample method generates a protein backbone, designs a sequence, and returns a `Protein` object."
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 3,
-      "id": "9728242e",
-      "metadata": {
-        "id": "9728242e"
-      },
-      "outputs": [
-        {
-          "name": "stdout",
-          "output_type": "stream",
-          "text": [
-            "Using cached data from /tmp/chroma_weights/90e339502ae6b372797414167ce5a632/weights.pt\n",
-            "Loaded from cache\n",
-            "Using cached data from /tmp/chroma_weights/03a3a9af343ae74998768a2711c8b7ce/weights.pt\n",
-            "Loaded from cache\n"
-          ]
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "d52be95afc3b4846a21ef28ccae8729b",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "Integrating SDE:   0%|          | 0/500 [00:00<?, ?it/s]"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        },
-        {
-          "ename": "RuntimeError",
-          "evalue": "CUDA out of memory. Tried to allocate 30.00 MiB (GPU 0; 23.69 GiB total capacity; 127.36 MiB already allocated; 13.19 MiB free; 140.00 MiB reserved in total by PyTorch) If reserved memory is >> allocated memory try setting max_split_size_mb to avoid fragmentation.  See documentation for Memory Management and PYTORCH_CUDA_ALLOC_CONF",
-          "output_type": "error",
-          "traceback": [
-            "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-            "\u001b[0;31mRuntimeError\u001b[0m                              Traceback (most recent call last)",
-            "Cell \u001b[0;32mIn[3], line 5\u001b[0m\n\u001b[1;32m      2\u001b[0m chroma \u001b[38;5;241m=\u001b[39m Chroma()\n\u001b[1;32m      4\u001b[0m \u001b[38;5;66;03m# Sample a Protein\u001b[39;00m\n\u001b[0;32m----> 5\u001b[0m protein \u001b[38;5;241m=\u001b[39m \u001b[43mchroma\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msample\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/chroma.py:229\u001b[0m, in \u001b[0;36mChroma.sample\u001b[0;34m(self, samples, steps, chain_lengths, tspan, protein_init, conditioner, langevin_factor, langevin_isothermal, inverse_temperature, initialize_noise, integrate_func, sde_func, trajectory_length, full_output, design_ban_S, design_method, design_selection, design_t, temperature_S, temperature_chi, top_p_S, regularization, potts_mcmc_depth, potts_proposal, potts_symmetry_order, verbose)\u001b[0m\n\u001b[1;32m    226\u001b[0m design_kwargs \u001b[38;5;241m=\u001b[39m {k: input_args[k] \u001b[38;5;28;01mfor\u001b[39;00m k \u001b[38;5;129;01min\u001b[39;00m input_args \u001b[38;5;28;01mif\u001b[39;00m k \u001b[38;5;129;01min\u001b[39;00m design_keys}\n\u001b[1;32m    228\u001b[0m \u001b[38;5;66;03m# Perform Sampling\u001b[39;00m\n\u001b[0;32m--> 229\u001b[0m sample_output \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_sample\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mbackbone_kwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    231\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m full_output:\n\u001b[1;32m    232\u001b[0m     protein_sample, output_dictionary \u001b[38;5;241m=\u001b[39m sample_output\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/chroma.py:355\u001b[0m, in \u001b[0;36mChroma._sample\u001b[0;34m(self, samples, steps, chain_lengths, tspan, protein_init, conditioner, langevin_factor, langevin_isothermal, inverse_temperature, initialize_noise, integrate_func, sde_func, trajectory_length, full_output, **kwargs)\u001b[0m\n\u001b[1;32m    352\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[1;32m    353\u001b[0m     X_unc, C_unc, S_unc \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_init_backbones(samples, chain_lengths)\n\u001b[0;32m--> 355\u001b[0m outs \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbackbone_network\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msample_sde\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    356\u001b[0m \u001b[43m    \u001b[49m\u001b[43mC_unc\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    357\u001b[0m \u001b[43m    \u001b[49m\u001b[43mX_init\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mX_unc\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    358\u001b[0m \u001b[43m    \u001b[49m\u001b[43mconditioner\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mconditioner\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    359\u001b[0m \u001b[43m    \u001b[49m\u001b[43mtspan\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtspan\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    360\u001b[0m \u001b[43m    \u001b[49m\u001b[43mlangevin_isothermal\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mlangevin_isothermal\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    361\u001b[0m \u001b[43m    \u001b[49m\u001b[43mintegrate_func\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mintegrate_func\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    362\u001b[0m \u001b[43m    \u001b[49m\u001b[43msde_func\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43msde_func\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    363\u001b[0m \u001b[43m    \u001b[49m\u001b[43mlangevin_factor\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mlangevin_factor\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    364\u001b[0m \u001b[43m    \u001b[49m\u001b[43minverse_temperature\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43minverse_temperature\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    365\u001b[0m \u001b[43m    \u001b[49m\u001b[43mN\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43msteps\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    366\u001b[0m \u001b[43m    \u001b[49m\u001b[43minitialize_noise\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43minitialize_noise\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    367\u001b[0m \u001b[43m    \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    368\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    370\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m S_unc\u001b[38;5;241m.\u001b[39mshape \u001b[38;5;241m!=\u001b[39m outs[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mC\u001b[39m\u001b[38;5;124m\"\u001b[39m]\u001b[38;5;241m.\u001b[39mshape:\n\u001b[1;32m    371\u001b[0m     S \u001b[38;5;241m=\u001b[39m torch\u001b[38;5;241m.\u001b[39mzeros_like(outs[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mC\u001b[39m\u001b[38;5;124m\"\u001b[39m])\u001b[38;5;241m.\u001b[39mlong()\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/graph_backbone.py:187\u001b[0m, in \u001b[0;36mGraphBackbone.__init__.<locals>.<lambda>\u001b[0;34m(C, **kwargs)\u001b[0m\n\u001b[1;32m    185\u001b[0m \u001b[38;5;66;03m# Wrap sampling functions\u001b[39;00m\n\u001b[1;32m    186\u001b[0m _X0_func \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mlambda\u001b[39;00m X, C, t: \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mdenoise(X, C, t)\n\u001b[0;32m--> 187\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39msample_sde \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mlambda\u001b[39;00m C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs: \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mnoise_perturb\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msample_sde\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    188\u001b[0m \u001b[43m    \u001b[49m\u001b[43m_X0_func\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\n\u001b[1;32m    189\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    190\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39msample_baoab \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mlambda\u001b[39;00m C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs: \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39msample_baoab(\n\u001b[1;32m    191\u001b[0m     _X0_func, C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs\n\u001b[1;32m    192\u001b[0m )\n\u001b[1;32m    193\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39msample_ode \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mlambda\u001b[39;00m C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs: \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39msample_ode(\n\u001b[1;32m    194\u001b[0m     _X0_func, C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs\n\u001b[1;32m    195\u001b[0m )\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/torch/autograd/grad_mode.py:28\u001b[0m, in \u001b[0;36m_DecoratorContextManager.__call__.<locals>.decorate_context\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m     25\u001b[0m \u001b[38;5;129m@functools\u001b[39m\u001b[38;5;241m.\u001b[39mwraps(func)\n\u001b[1;32m     26\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mdecorate_context\u001b[39m(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs):\n\u001b[1;32m     27\u001b[0m     \u001b[38;5;28;01mwith\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m\u001b[38;5;18m__class__\u001b[39m():\n\u001b[0;32m---> 28\u001b[0m         \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/diffusion.py:1213\u001b[0m, in \u001b[0;36mDiffusionChainCov.sample_sde\u001b[0;34m(self, X0_func, C, X_init, conditioner, N, tspan, inverse_temperature, langevin_factor, langevin_isothermal, sde_func, integrate_func, initialize_noise, remap_time, remove_drift_translate, remove_noise_translate, align_X0)\u001b[0m\n\u001b[1;32m   1210\u001b[0m     Ct \u001b[38;5;241m=\u001b[39m C\n\u001b[1;32m   1212\u001b[0m \u001b[38;5;66;03m# Integrate\u001b[39;00m\n\u001b[0;32m-> 1213\u001b[0m X_trajectory \u001b[38;5;241m=\u001b[39m \u001b[43mintegrate_func\u001b[49m\u001b[43m(\u001b[49m\u001b[43msdefun\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mX_init\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mtspan\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mN\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mN\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mT_grid\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mT_grid\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1215\u001b[0m \u001b[38;5;66;03m# Return constrained coordinates\u001b[39;00m\n\u001b[1;32m   1216\u001b[0m outputs \u001b[38;5;241m=\u001b[39m {\n\u001b[1;32m   1217\u001b[0m     \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mC\u001b[39m\u001b[38;5;124m\"\u001b[39m: Ct,\n\u001b[1;32m   1218\u001b[0m     \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mX_sample\u001b[39m\u001b[38;5;124m\"\u001b[39m: Xt_trajectory[\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m],\n\u001b[0;32m   (...)\u001b[0m\n\u001b[1;32m   1221\u001b[0m     \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mXunc_trajectory\u001b[39m\u001b[38;5;124m\"\u001b[39m: X_trajectory,\n\u001b[1;32m   1222\u001b[0m }\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/sde.py:64\u001b[0m, in \u001b[0;36msde_integrate\u001b[0;34m(sde_func, y0, tspan, N, project_func, T_grid)\u001b[0m\n\u001b[1;32m     61\u001b[0m t \u001b[38;5;241m=\u001b[39m t0\n\u001b[1;32m     62\u001b[0m dT \u001b[38;5;241m=\u001b[39m t1 \u001b[38;5;241m-\u001b[39m t0\n\u001b[0;32m---> 64\u001b[0m f, gZ \u001b[38;5;241m=\u001b[39m \u001b[43msde_func\u001b[49m\u001b[43m(\u001b[49m\u001b[43mt\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43my\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m     65\u001b[0m y \u001b[38;5;241m=\u001b[39m y \u001b[38;5;241m+\u001b[39m dT \u001b[38;5;241m*\u001b[39m f \u001b[38;5;241m+\u001b[39m dT\u001b[38;5;241m.\u001b[39mabs()\u001b[38;5;241m.\u001b[39msqrt() \u001b[38;5;241m*\u001b[39m gZ\n\u001b[1;32m     66\u001b[0m y \u001b[38;5;241m=\u001b[39m y \u001b[38;5;28;01mif\u001b[39;00m project_func \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m \u001b[38;5;28;01melse\u001b[39;00m project_func(t, y)\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/diffusion.py:1174\u001b[0m, in \u001b[0;36mDiffusionChainCov.sample_sde.<locals>.sdefun\u001b[0;34m(_t, _X)\u001b[0m\n\u001b[1;32m   1173\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21msdefun\u001b[39m(_t, _X):\n\u001b[0;32m-> 1174\u001b[0m     f, gZ \u001b[38;5;241m=\u001b[39m \u001b[43msde_func\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m   1175\u001b[0m \u001b[43m        \u001b[49m\u001b[43m_X\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1176\u001b[0m \u001b[43m        \u001b[49m\u001b[43m_X0_func\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1177\u001b[0m \u001b[43m        \u001b[49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1178\u001b[0m \u001b[43m        \u001b[49m\u001b[43m_t\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1179\u001b[0m \u001b[43m        \u001b[49m\u001b[43mconditioner\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mconditioner\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1180\u001b[0m \u001b[43m        \u001b[49m\u001b[43minverse_temperature\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43minverse_temperature\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1181\u001b[0m \u001b[43m        \u001b[49m\u001b[43mlangevin_factor\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mlangevin_factor\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1182\u001b[0m \u001b[43m        \u001b[49m\u001b[43mlangevin_isothermal\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mlangevin_isothermal\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1183\u001b[0m \u001b[43m        \u001b[49m\u001b[43malign_X0\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43malign_X0\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1184\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1185\u001b[0m     \u001b[38;5;66;03m# Remove net translational component\u001b[39;00m\n\u001b[1;32m   1186\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m remove_drift_translate:\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/data/xcs.py:114\u001b[0m, in \u001b[0;36mvalidate_XCS.<locals>.decorator.<locals>.new_func\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m    112\u001b[0m         \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m torch\u001b[38;5;241m.\u001b[39mallclose(tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mO\u001b[39m\u001b[38;5;124m\"\u001b[39m]\u001b[38;5;241m.\u001b[39margmax(dim\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m2\u001b[39m), tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS\u001b[39m\u001b[38;5;124m\"\u001b[39m]):\n\u001b[1;32m    113\u001b[0m             \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mValueError\u001b[39;00m(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS and O are both provided but don\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mt match!\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m--> 114\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/diffusion.py:785\u001b[0m, in \u001b[0;36mDiffusionChainCov.reverse_sde\u001b[0;34m(self, X, X0_func, C, t, conditioner, Z, inverse_temperature, langevin_factor, langevin_isothermal, align_X0)\u001b[0m\n\u001b[1;32m    782\u001b[0m Z \u001b[38;5;241m=\u001b[39m torch\u001b[38;5;241m.\u001b[39mrandn_like(X) \u001b[38;5;28;01mif\u001b[39;00m Z \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m \u001b[38;5;28;01melse\u001b[39;00m Z\n\u001b[1;32m    784\u001b[0m \u001b[38;5;66;03m# X = backbone.center_X(X, C)\u001b[39;00m\n\u001b[0;32m--> 785\u001b[0m score \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mscore\u001b[49m\u001b[43m(\u001b[49m\u001b[43mX\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mX0_func\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mt\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mconditioner\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43malign_X0\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43malign_X0\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    786\u001b[0m score_transformed \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbase_gaussian\u001b[38;5;241m.\u001b[39mmultiply_covariance(score, C)\n\u001b[1;32m    788\u001b[0m f \u001b[38;5;241m=\u001b[39m (\n\u001b[1;32m    789\u001b[0m     beta \u001b[38;5;241m*\u001b[39m (\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m \u001b[38;5;241m/\u001b[39m \u001b[38;5;241m2\u001b[39m) \u001b[38;5;241m*\u001b[39m backbone\u001b[38;5;241m.\u001b[39mcenter_X(X, C)\n\u001b[1;32m    790\u001b[0m     \u001b[38;5;241m-\u001b[39m g\u001b[38;5;241m.\u001b[39mpow(\u001b[38;5;241m2\u001b[39m) \u001b[38;5;241m*\u001b[39m score_scale_t \u001b[38;5;241m*\u001b[39m score_transformed\n\u001b[1;32m    791\u001b[0m )\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/data/xcs.py:114\u001b[0m, in \u001b[0;36mvalidate_XCS.<locals>.decorator.<locals>.new_func\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m    112\u001b[0m         \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m torch\u001b[38;5;241m.\u001b[39mallclose(tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mO\u001b[39m\u001b[38;5;124m\"\u001b[39m]\u001b[38;5;241m.\u001b[39margmax(dim\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m2\u001b[39m), tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS\u001b[39m\u001b[38;5;124m\"\u001b[39m]):\n\u001b[1;32m    113\u001b[0m             \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mValueError\u001b[39;00m(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS and O are both provided but don\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mt match!\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m--> 114\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/diffusion.py:952\u001b[0m, in \u001b[0;36mDiffusionChainCov.score\u001b[0;34m(self, X, X0_func, C, t, conditioner, detach_X0, align_X0, U_traj)\u001b[0m\n\u001b[1;32m    949\u001b[0m U_conditioner \u001b[38;5;241m=\u001b[39m torch\u001b[38;5;241m.\u001b[39mas_tensor(U_conditioner)\n\u001b[1;32m    951\u001b[0m \u001b[38;5;66;03m# Compute system energy\u001b[39;00m\n\u001b[0;32m--> 952\u001b[0m U_diffusion \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43menergy\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    953\u001b[0m \u001b[43m    \u001b[49m\u001b[43mXt\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mX0_func\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mCt\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mt\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mdetach_X0\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mdetach_X0\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43malign_X0\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43malign_X0\u001b[49m\n\u001b[1;32m    954\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    956\u001b[0m U_traj\u001b[38;5;241m.\u001b[39mappend(U_diffusion\u001b[38;5;241m.\u001b[39mdetach()\u001b[38;5;241m.\u001b[39mcpu())\n\u001b[1;32m    958\u001b[0m \u001b[38;5;66;03m# Compute score function as negative energy gradient\u001b[39;00m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/data/xcs.py:114\u001b[0m, in \u001b[0;36mvalidate_XCS.<locals>.decorator.<locals>.new_func\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m    112\u001b[0m         \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m torch\u001b[38;5;241m.\u001b[39mallclose(tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mO\u001b[39m\u001b[38;5;124m\"\u001b[39m]\u001b[38;5;241m.\u001b[39margmax(dim\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m2\u001b[39m), tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS\u001b[39m\u001b[38;5;124m\"\u001b[39m]):\n\u001b[1;32m    113\u001b[0m             \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mValueError\u001b[39;00m(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS and O are both provided but don\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mt match!\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m--> 114\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/diffusion.py:892\u001b[0m, in \u001b[0;36mDiffusionChainCov.energy\u001b[0;34m(self, X, X0_func, C, t, detach_X0, align_X0)\u001b[0m\n\u001b[1;32m    890\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m detach_X0:\n\u001b[1;32m    891\u001b[0m     \u001b[38;5;28;01mwith\u001b[39;00m torch\u001b[38;5;241m.\u001b[39mno_grad():\n\u001b[0;32m--> 892\u001b[0m         X0 \u001b[38;5;241m=\u001b[39m \u001b[43mX0_func\u001b[49m\u001b[43m(\u001b[49m\u001b[43mX\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mt\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mt\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    893\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[1;32m    894\u001b[0m     X0 \u001b[38;5;241m=\u001b[39m X0_func(X, C, t\u001b[38;5;241m=\u001b[39mt)\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/diffusion.py:1168\u001b[0m, in \u001b[0;36mDiffusionChainCov.sample_sde.<locals>._X0_func\u001b[0;34m(_X, _C, t)\u001b[0m\n\u001b[1;32m   1167\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21m_X0_func\u001b[39m(_X, _C, t):\n\u001b[0;32m-> 1168\u001b[0m     _X0 \u001b[38;5;241m=\u001b[39m \u001b[43mX0_func\u001b[49m\u001b[43m(\u001b[49m\u001b[43m_X\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43m_C\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mt\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1169\u001b[0m     Xt_trajectory\u001b[38;5;241m.\u001b[39mappend(_X\u001b[38;5;241m.\u001b[39mdetach())\n\u001b[1;32m   1170\u001b[0m     Xhat_trajectory\u001b[38;5;241m.\u001b[39mappend(_X0\u001b[38;5;241m.\u001b[39mdetach())\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/graph_backbone.py:186\u001b[0m, in \u001b[0;36mGraphBackbone.__init__.<locals>.<lambda>\u001b[0;34m(X, C, t)\u001b[0m\n\u001b[1;32m    181\u001b[0m     \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mmlp_W \u001b[38;5;241m=\u001b[39m graph\u001b[38;5;241m.\u001b[39mMLP(\n\u001b[1;32m    182\u001b[0m         dim_in\u001b[38;5;241m=\u001b[39margs\u001b[38;5;241m.\u001b[39mdim_nodes, num_layers_hidden\u001b[38;5;241m=\u001b[39margs\u001b[38;5;241m.\u001b[39mnode_mlp_layers, dim_out\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m1\u001b[39m\n\u001b[1;32m    183\u001b[0m     )\n\u001b[1;32m    185\u001b[0m \u001b[38;5;66;03m# Wrap sampling functions\u001b[39;00m\n\u001b[0;32m--> 186\u001b[0m _X0_func \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mlambda\u001b[39;00m X, C, t: \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mdenoise\u001b[49m\u001b[43m(\u001b[49m\u001b[43mX\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mt\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    187\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39msample_sde \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mlambda\u001b[39;00m C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs: \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39msample_sde(\n\u001b[1;32m    188\u001b[0m     _X0_func, C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs\n\u001b[1;32m    189\u001b[0m )\n\u001b[1;32m    190\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39msample_baoab \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mlambda\u001b[39;00m C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs: \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39msample_baoab(\n\u001b[1;32m    191\u001b[0m     _X0_func, C, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs\n\u001b[1;32m    192\u001b[0m )\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/data/xcs.py:114\u001b[0m, in \u001b[0;36mvalidate_XCS.<locals>.decorator.<locals>.new_func\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m    112\u001b[0m         \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m torch\u001b[38;5;241m.\u001b[39mallclose(tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mO\u001b[39m\u001b[38;5;124m\"\u001b[39m]\u001b[38;5;241m.\u001b[39margmax(dim\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m2\u001b[39m), tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS\u001b[39m\u001b[38;5;124m\"\u001b[39m]):\n\u001b[1;32m    113\u001b[0m             \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mValueError\u001b[39;00m(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS and O are both provided but don\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mt match!\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m--> 114\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/graph_backbone.py:239\u001b[0m, in \u001b[0;36mGraphBackbone.denoise\u001b[0;34m(self, X, C, t, return_geometry)\u001b[0m\n\u001b[1;32m    235\u001b[0m X_update \u001b[38;5;241m=\u001b[39m X\n\u001b[1;32m    237\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m i \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28mrange\u001b[39m(\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnum_graph_cycles):\n\u001b[1;32m    238\u001b[0m     \u001b[38;5;66;03m# Encode as graph\u001b[39;00m\n\u001b[0;32m--> 239\u001b[0m     node_h, edge_h, edge_idx, mask_i, mask_ij \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mencoders\u001b[49m\u001b[43m[\u001b[49m\u001b[43mi\u001b[49m\u001b[43m]\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    240\u001b[0m \u001b[43m        \u001b[49m\u001b[43mX_update\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    241\u001b[0m \u001b[43m        \u001b[49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    242\u001b[0m \u001b[43m        \u001b[49m\u001b[43mnode_h_aux\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mnode_h\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    243\u001b[0m \u001b[43m        \u001b[49m\u001b[43medge_h_aux\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43medge_h\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    244\u001b[0m \u001b[43m        \u001b[49m\u001b[43medge_idx\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43medge_idx\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    245\u001b[0m \u001b[43m        \u001b[49m\u001b[43mmask_ij\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mmask_ij\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    246\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    247\u001b[0m     \u001b[38;5;66;03m# Update backbone\u001b[39;00m\n\u001b[1;32m    248\u001b[0m     X_update, R_ji, t_ji, logit_ji \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbackbone_updates[i](\n\u001b[1;32m    249\u001b[0m         X_update, C, node_h, edge_h, edge_idx, mask_i, mask_ij\n\u001b[1;32m    250\u001b[0m     )\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/torch/nn/modules/module.py:1102\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *input, **kwargs)\u001b[0m\n\u001b[1;32m   1098\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m   1099\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m   1100\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m   1101\u001b[0m         \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1102\u001b[0m     \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;28;43minput\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1103\u001b[0m \u001b[38;5;66;03m# Do not call functions when jit is used\u001b[39;00m\n\u001b[1;32m   1104\u001b[0m full_backward_hooks, non_full_backward_hooks \u001b[38;5;241m=\u001b[39m [], []\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/data/xcs.py:114\u001b[0m, in \u001b[0;36mvalidate_XCS.<locals>.decorator.<locals>.new_func\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m    112\u001b[0m         \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m torch\u001b[38;5;241m.\u001b[39mallclose(tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mO\u001b[39m\u001b[38;5;124m\"\u001b[39m]\u001b[38;5;241m.\u001b[39margmax(dim\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m2\u001b[39m), tensors[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS\u001b[39m\u001b[38;5;124m\"\u001b[39m]):\n\u001b[1;32m    113\u001b[0m             \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mValueError\u001b[39;00m(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS and O are both provided but don\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mt match!\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m--> 114\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/graph_design.py:1237\u001b[0m, in \u001b[0;36mBackboneEncoderGNN.forward\u001b[0;34m(self, X, C, node_h_aux, edge_h_aux, edge_idx, mask_ij)\u001b[0m\n\u001b[1;32m   1234\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mcheckpoint_gradients \u001b[38;5;129;01mand\u001b[39;00m (\u001b[38;5;129;01mnot\u001b[39;00m X\u001b[38;5;241m.\u001b[39mrequires_grad):\n\u001b[1;32m   1235\u001b[0m     X\u001b[38;5;241m.\u001b[39mrequires_grad \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mTrue\u001b[39;00m\n\u001b[0;32m-> 1237\u001b[0m node_h, edge_h, edge_idx, mask_i, mask_ij \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_checkpoint\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m   1238\u001b[0m \u001b[43m    \u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mfeature_graph\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mX\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43medge_idx\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mmask_ij\u001b[49m\n\u001b[1;32m   1239\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1241\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m node_h_aux \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m:\n\u001b[1;32m   1242\u001b[0m     node_h \u001b[38;5;241m=\u001b[39m node_h \u001b[38;5;241m+\u001b[39m mask_i\u001b[38;5;241m.\u001b[39munsqueeze(\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m) \u001b[38;5;241m*\u001b[39m node_h_aux\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/graph_design.py:1251\u001b[0m, in \u001b[0;36mBackboneEncoderGNN._checkpoint\u001b[0;34m(self, module, *args)\u001b[0m\n\u001b[1;32m   1249\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21m_checkpoint\u001b[39m(\u001b[38;5;28mself\u001b[39m, module: nn\u001b[38;5;241m.\u001b[39mModule, \u001b[38;5;241m*\u001b[39margs) \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m>\u001b[39m nn\u001b[38;5;241m.\u001b[39mModule:\n\u001b[1;32m   1250\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mcheckpoint_gradients:\n\u001b[0;32m-> 1251\u001b[0m         \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mcheckpoint\u001b[49m\u001b[43m(\u001b[49m\u001b[43mmodule\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1252\u001b[0m     \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[1;32m   1253\u001b[0m         \u001b[38;5;28;01mreturn\u001b[39;00m module(\u001b[38;5;241m*\u001b[39margs)\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/torch/utils/checkpoint.py:211\u001b[0m, in \u001b[0;36mcheckpoint\u001b[0;34m(function, *args, **kwargs)\u001b[0m\n\u001b[1;32m    208\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m kwargs:\n\u001b[1;32m    209\u001b[0m     \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mValueError\u001b[39;00m(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mUnexpected keyword arguments: \u001b[39m\u001b[38;5;124m\"\u001b[39m \u001b[38;5;241m+\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m,\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;241m.\u001b[39mjoin(arg \u001b[38;5;28;01mfor\u001b[39;00m arg \u001b[38;5;129;01min\u001b[39;00m kwargs))\n\u001b[0;32m--> 211\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mCheckpointFunction\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mapply\u001b[49m\u001b[43m(\u001b[49m\u001b[43mfunction\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mpreserve\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m)\u001b[49m\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/torch/utils/checkpoint.py:90\u001b[0m, in \u001b[0;36mCheckpointFunction.forward\u001b[0;34m(ctx, run_function, preserve_rng_state, *args)\u001b[0m\n\u001b[1;32m     87\u001b[0m ctx\u001b[38;5;241m.\u001b[39msave_for_backward(\u001b[38;5;241m*\u001b[39mtensor_inputs)\n\u001b[1;32m     89\u001b[0m \u001b[38;5;28;01mwith\u001b[39;00m torch\u001b[38;5;241m.\u001b[39mno_grad():\n\u001b[0;32m---> 90\u001b[0m     outputs \u001b[38;5;241m=\u001b[39m \u001b[43mrun_function\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m     91\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m outputs\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/torch/nn/modules/module.py:1102\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *input, **kwargs)\u001b[0m\n\u001b[1;32m   1098\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m   1099\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m   1100\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m   1101\u001b[0m         \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1102\u001b[0m     \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;28;43minput\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1103\u001b[0m \u001b[38;5;66;03m# Do not call functions when jit is used\u001b[39;00m\n\u001b[1;32m   1104\u001b[0m full_backward_hooks, non_full_backward_hooks \u001b[38;5;241m=\u001b[39m [], []\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/protein_graph.py:232\u001b[0m, in \u001b[0;36mProteinFeatureGraph.forward\u001b[0;34m(self, X, C, edge_idx, mask_ij, custom_D, custom_mask_2D)\u001b[0m\n\u001b[1;32m    230\u001b[0m edge_h \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m\n\u001b[1;32m    231\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m i, layer \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28menumerate\u001b[39m(\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39medge_layers):\n\u001b[0;32m--> 232\u001b[0m     edge_h_l \u001b[38;5;241m=\u001b[39m \u001b[43mlayer\u001b[49m\u001b[43m(\u001b[49m\u001b[43mX\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43medge_idx\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mC\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    233\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mcentered:\n\u001b[1;32m    234\u001b[0m         edge_h_l \u001b[38;5;241m=\u001b[39m edge_h_l \u001b[38;5;241m-\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m\u001b[38;5;21m__getattr__\u001b[39m(\u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124medge_means_\u001b[39m\u001b[38;5;132;01m{\u001b[39;00mi\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m\"\u001b[39m)\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/torch/nn/modules/module.py:1102\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *input, **kwargs)\u001b[0m\n\u001b[1;32m   1098\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m   1099\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m   1100\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m   1101\u001b[0m         \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1102\u001b[0m     \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;28;43minput\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1103\u001b[0m \u001b[38;5;66;03m# Do not call functions when jit is used\u001b[39;00m\n\u001b[1;32m   1104\u001b[0m full_backward_hooks, non_full_backward_hooks \u001b[38;5;241m=\u001b[39m [], []\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/protein_graph.py:988\u001b[0m, in \u001b[0;36mEdgeDistance2mer.forward\u001b[0;34m(self, X, edge_idx, C)\u001b[0m\n\u001b[1;32m    986\u001b[0m shape_flat \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mlist\u001b[39m(D_ij\u001b[38;5;241m.\u001b[39mshape[:\u001b[38;5;241m3\u001b[39m]) \u001b[38;5;241m+\u001b[39m [\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m]\n\u001b[1;32m    987\u001b[0m D_ij \u001b[38;5;241m=\u001b[39m D_ij\u001b[38;5;241m.\u001b[39mreshape(shape_flat)\n\u001b[0;32m--> 988\u001b[0m feature_ij \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mfeaturize\u001b[49m\u001b[43m(\u001b[49m\u001b[43mD_ij\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    990\u001b[0m \u001b[38;5;66;03m# DEBGUG\u001b[39;00m\n\u001b[1;32m    991\u001b[0m \u001b[38;5;66;03m# _debug_plot_edges(edge_idx, feature_ij, unravel=True)\u001b[39;00m\n\u001b[1;32m    992\u001b[0m \u001b[38;5;66;03m# exit(0)\u001b[39;00m\n\u001b[1;32m    993\u001b[0m edge_h \u001b[38;5;241m=\u001b[39m mask_ij \u001b[38;5;241m*\u001b[39m feature_ij\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/protein_graph.py:973\u001b[0m, in \u001b[0;36mEdgeDistance2mer.featurize\u001b[0;34m(self, D)\u001b[0m\n\u001b[1;32m    971\u001b[0m h_list \u001b[38;5;241m=\u001b[39m []\n\u001b[1;32m    972\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m feature \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mfeatures:\n\u001b[0;32m--> 973\u001b[0m     h \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mfeature_funcs\u001b[49m\u001b[43m[\u001b[49m\u001b[43mfeature\u001b[49m\u001b[43m]\u001b[49m\u001b[43m(\u001b[49m\u001b[43mD\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    974\u001b[0m     h_list\u001b[38;5;241m.\u001b[39mappend(h)\n\u001b[1;32m    975\u001b[0m h \u001b[38;5;241m=\u001b[39m torch\u001b[38;5;241m.\u001b[39mcat(h_list, \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m)\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/protein_graph.py:967\u001b[0m, in \u001b[0;36mEdgeDistance2mer.__init__.<locals>.<lambda>\u001b[0;34m(D)\u001b[0m\n\u001b[1;32m    960\u001b[0m \u001b[38;5;66;03m# Public attribute\u001b[39;00m\n\u001b[1;32m    961\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mdim_out \u001b[38;5;241m=\u001b[39m \u001b[38;5;28msum\u001b[39m([feature_dims[d] \u001b[38;5;28;01mfor\u001b[39;00m d \u001b[38;5;129;01min\u001b[39;00m features])\n\u001b[1;32m    963\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mfeature_funcs \u001b[38;5;241m=\u001b[39m {\n\u001b[1;32m    964\u001b[0m     \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mlog\u001b[39m\u001b[38;5;124m\"\u001b[39m: \u001b[38;5;28;01mlambda\u001b[39;00m D: torch\u001b[38;5;241m.\u001b[39mlog(D \u001b[38;5;241m+\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mdistance_eps),\n\u001b[1;32m    965\u001b[0m     \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124minverse\u001b[39m\u001b[38;5;124m\"\u001b[39m: \u001b[38;5;28;01mlambda\u001b[39;00m D: \u001b[38;5;241m1.0\u001b[39m \u001b[38;5;241m/\u001b[39m (D \u001b[38;5;241m+\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mdistance_eps),\n\u001b[1;32m    966\u001b[0m     \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mraw\u001b[39m\u001b[38;5;124m\"\u001b[39m: \u001b[38;5;28;01mlambda\u001b[39;00m D: D,\n\u001b[0;32m--> 967\u001b[0m     \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mrbf\u001b[39m\u001b[38;5;124m\"\u001b[39m: \u001b[38;5;28;01mlambda\u001b[39;00m D: \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mrbf_function\u001b[49m\u001b[43m(\u001b[49m\u001b[43mD\u001b[49m\u001b[43m)\u001b[49m,\n\u001b[1;32m    968\u001b[0m }\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/torch/nn/modules/module.py:1102\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *input, **kwargs)\u001b[0m\n\u001b[1;32m   1098\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m   1099\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m   1100\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m   1101\u001b[0m         \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1102\u001b[0m     \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;28;43minput\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1103\u001b[0m \u001b[38;5;66;03m# Do not call functions when jit is used\u001b[39;00m\n\u001b[1;32m   1104\u001b[0m full_backward_hooks, non_full_backward_hooks \u001b[38;5;241m=\u001b[39m [], []\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/protein_graph.py:1439\u001b[0m, in \u001b[0;36mRBFExpansion.forward\u001b[0;34m(self, h)\u001b[0m\n\u001b[1;32m   1437\u001b[0m shape_ones \u001b[38;5;241m=\u001b[39m [\u001b[38;5;241m1\u001b[39m \u001b[38;5;28;01mfor\u001b[39;00m _ \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28mrange\u001b[39m(\u001b[38;5;28mlen\u001b[39m(shape))] \u001b[38;5;241m+\u001b[39m [\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m]\n\u001b[1;32m   1438\u001b[0m rbf_centers \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mrbf_centers\u001b[38;5;241m.\u001b[39mview(shape_ones)\n\u001b[0;32m-> 1439\u001b[0m h \u001b[38;5;241m=\u001b[39m torch\u001b[38;5;241m.\u001b[39mexp(\u001b[38;5;241m-\u001b[39m(((\u001b[43mh\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43munsqueeze\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m-\u001b[39;49m\u001b[38;5;241;43m1\u001b[39;49m\u001b[43m)\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m-\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mrbf_centers\u001b[49m) \u001b[38;5;241m/\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mstd) \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39m \u001b[38;5;241m2\u001b[39m))\n\u001b[1;32m   1440\u001b[0m h \u001b[38;5;241m=\u001b[39m h\u001b[38;5;241m.\u001b[39mview(shape[:\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m] \u001b[38;5;241m+\u001b[39m [\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m])\n\u001b[1;32m   1441\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m h\n",
-            "\u001b[0;31mRuntimeError\u001b[0m: CUDA out of memory. Tried to allocate 30.00 MiB (GPU 0; 23.69 GiB total capacity; 127.36 MiB already allocated; 13.19 MiB free; 140.00 MiB reserved in total by PyTorch) If reserved memory is >> allocated memory try setting max_split_size_mb to avoid fragmentation.  See documentation for Memory Management and PYTORCH_CUDA_ALLOC_CONF"
-          ]
-        }
-      ],
-      "source": [
-        "# Initialize the Model\n",
-        "chroma = Chroma()\n",
-        "\n",
-        "# Sample a Protein\n",
-        "protein = chroma.sample()"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "95f44aa7",
-      "metadata": {
-        "id": "95f44aa7"
-      },
-      "source": [
-        "The `Protein` object enables one line inspection, saving, and loading of proteins."
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "cd620ec7",
-      "metadata": {
-        "id": "cd620ec7"
-      },
-      "outputs": [
-        {
-          "name": "stdout",
-          "output_type": "stream",
-          "text": [
-            "Protein: system\n",
-            "> Chain A (100 residues)\n",
-            "MKSIEEKLKEIIDKAKELGCDDCANRLKQVLDEIKRNKENKCEAYKKAIDALKSIVDELERRAQELASRDPELGKQAREQVENIKKEIDELIKEIKKSCA\n",
-            "\n",
-            "\n"
-          ]
-        }
-      ],
-      "source": [
-        "print(protein) # Inspect the sequence of the protein sample\n",
-        "protein.to('chroma_sample.cif') # Save the sample to disk\n",
-        "protein = Protein('chroma_sample.cif') # Load a protein from disk"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "93c6ea6b",
-      "metadata": {
-        "id": "93c6ea6b"
-      },
-      "outputs": [
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "136cf83c3a85456ab08156c857b5f64e",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "NGLWidget()"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        }
-      ],
-      "source": [
-        "display(protein)"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "ab969fef",
-      "metadata": {
-        "id": "ab969fef"
-      },
-      "outputs": [
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "47fc2f8daa9742de98ced4285e0164d9",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "Integrating diffusion metrics:   0%|          | 0/50 [00:00<?, ?it/s]"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        },
-        {
-          "ename": "TypeError",
-          "evalue": "unsupported operand type(s) for |: 'dict' and 'dict'",
-          "output_type": "error",
-          "traceback": [
-            "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-            "\u001b[0;31mTypeError\u001b[0m                                 Traceback (most recent call last)",
-            "Cell \u001b[0;32mIn[5], line 2\u001b[0m\n\u001b[1;32m      1\u001b[0m \u001b[38;5;66;03m# Calculate sample scores\u001b[39;00m\n\u001b[0;32m----> 2\u001b[0m elbo \u001b[38;5;241m=\u001b[39m \u001b[43mchroma\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mscore\u001b[49m\u001b[43m(\u001b[49m\u001b[43mprotein\u001b[49m\u001b[43m)\u001b[49m[\u001b[38;5;124m'\u001b[39m\u001b[38;5;124melbo\u001b[39m\u001b[38;5;124m'\u001b[39m]\u001b[38;5;241m.\u001b[39mscore\n\u001b[1;32m      3\u001b[0m \u001b[38;5;28mprint\u001b[39m(\u001b[38;5;124mf\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124msample elbo: \u001b[39m\u001b[38;5;132;01m{\u001b[39;00melbo\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m'\u001b[39m)\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/chroma.py:722\u001b[0m, in \u001b[0;36mChroma.score\u001b[0;34m(self, proteins, num_samples, tspan)\u001b[0m\n\u001b[1;32m    720\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[1;32m    721\u001b[0m     sequence_scores[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mt_seq\u001b[39m\u001b[38;5;124m\"\u001b[39m] \u001b[38;5;241m=\u001b[39m sequence_scores\u001b[38;5;241m.\u001b[39mpop(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mt\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m--> 722\u001b[0m     \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mbackbone_scores\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m|\u001b[39;49m\u001b[43m \u001b[49m\u001b[43msequence_scores\u001b[49m\n",
-            "\u001b[0;31mTypeError\u001b[0m: unsupported operand type(s) for |: 'dict' and 'dict'"
-          ]
-        }
-      ],
-      "source": [
-        "# Calculate sample scores\n",
-        "elbo = chroma.score(protein)['elbo'].score\n",
-        "print(f'sample elbo: {elbo}')"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "06688f25",
-      "metadata": {
-        "id": "06688f25"
-      },
-      "source": [
-        "---"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "1be29dbb",
-      "metadata": {
-        "id": "1be29dbb",
-        "pycharm": {
-          "name": "#%% md\n"
-        }
-      },
-      "source": [
-        "# Conditioning"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "26d19c04",
-      "metadata": {
-        "id": "26d19c04"
-      },
-      "source": [
-        "Chroma conditioners allow us to program proteins. In the following examples we will show conditional generation for `Infilling`, `Symmetry`, `Shape`, `Protein Classes`, and `Natural Language`."
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "baf8ed65",
-      "metadata": {
-        "id": "baf8ed65",
-        "pycharm": {
-          "name": "#%% md\n"
-        }
-      },
-      "source": [
-        "## Symmetry\n",
-        "\n",
-        "Chroma can generate symmetric proteins with the help of the symmetry conditioner. We demonstrate a minimal example of conditioning on the cyclic point group with a 7-fold rotation axis. This point group has 7 asymmetric units arranged in a circle. The subunits are of size 50 in this example. The following parameters can be adjusted below:\n",
-        "\n",
-        "* `SYMMETRY_GROUP`: symmetry group, choose from {'C_2', 'C_3', ..., \"D_2\", \"D_3\", ..., \"T\", \"O\", \"I\"}\n",
-        "* `SUBUNIT_SIZES`: chain lengths for asymmetric unit: e.g [100], [100, 150], more than one chain is allowed for the asymmetric unit\n",
-        "* `KNBR`: number of neighbors to pay attention to during sampling. max allowed is total number of asymetric units in the protein complex - 1.\n"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "4e060bd9",
-      "metadata": {
-        "id": "4e060bd9",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "SYMMETRY_GROUP = \"C_7\"\n",
-        "SUBUNIT_SIZES = [100]\n",
-        "KNBR = 2"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "87903f39",
-      "metadata": {
-        "id": "87903f39",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "# Draw a Sample\n",
-        "torch.manual_seed(0)\n",
-        "conditioner = conditioners.SymmetryConditioner(G=SYMMETRY_GROUP, num_chain_neighbors=KNBR)\n",
-        "symmetric_protein = chroma.sample(\n",
-        "    chain_lengths=SUBUNIT_SIZES,\n",
-        "    conditioner=conditioner,\n",
-        "    langevin_factor=8,\n",
-        "    inverse_temperature=8,\n",
-        "    sde_func=\"langevin\",\n",
-        "    potts_symmetry_order=conditioner.potts_symmetry_order)"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "2f5d7eef",
-      "metadata": {
-        "id": "2f5d7eef",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "display(symmetric_protein)"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "20bcee17",
-      "metadata": {
-        "id": "20bcee17",
-        "pycharm": {
-          "name": "#%% md\n"
-        }
-      },
-      "source": [
-        "## Infilling\n",
-        "\n",
-        "Many protein design tasks including imputation of missing structural data, redesign of an enzyme scaffold given an active site, or redesign of the CDRs of a known antibody framework require exact specification of the known structural coordinates. The substructure conditioner enables this type of design. By specifiying the set of residues that are designable, and a protein to redesign, the user can perform infilling. In this example, a plane split is used which cuts a protein into two portions, a designable portion and a fixed portion. The following parameters can be set by the user:\n",
-        "\n",
-        "* `MASK_FRACTION`: the fraction of the protein to redesign.\n",
-        "* `PDB_ID`: The pdb to use for a infilling. There are also a set of `TESTED_PDBS` that you can use as examples."
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "4f2478d5",
-      "metadata": {
-        "id": "4f2478d5"
-      },
-      "outputs": [],
-      "source": [
-        "TESTED_PDBS = ['3bdi', '5sv5','6qaz','2e0q','5xb0','6bde','1a8q','5o0t','1drf','1shg']\n",
-        "MASK_PERCENT = 0.5 # Allow about 50% of the Protein to be designed\n",
-        "PDB_ID = TESTED_PDBS[0]"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "59e2d4b8",
-      "metadata": {
-        "id": "59e2d4b8"
-      },
-      "outputs": [],
-      "source": [
-        "# Configure Substructure Conditioner\n",
-        "from chroma.utility.chroma import plane_split_protein\n",
-        "protein = Protein(PDB_ID, canonicalize=True, device=device)\n",
-        "\n",
-        "X, C, _ = protein.to_XCS()\n",
-        "residues_to_design = plane_split_protein(X, C, protein, 0.5).nonzero()[:,1].tolist()\n",
-        "protein.sys.save_selection(gti=residues_to_design, selname=\"infilling_selection\")\n",
-        "\n",
-        "conditioner = conditioners.SubstructureConditioner(\n",
-        "        protein,\n",
-        "        backbone_model=chroma.backbone_network,\n",
-        "        selection = 'namesel infilling_selection').to(device)"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "c03aeb4b",
-      "metadata": {
-        "id": "c03aeb4b"
-      },
-      "outputs": [],
-      "source": [
-        "# Draw a Sample\n",
-        "torch.manual_seed(0)\n",
-        "infilled_protein = chroma.sample(\n",
-        "             protein_init=protein,\n",
-        "             conditioner=conditioner,\n",
-        "             langevin_factor=4.0,\n",
-        "             langevin_isothermal=True,\n",
-        "             inverse_temperature=8.0,\n",
-        "             sde_func='langevin',\n",
-        "             steps=500)"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "f2f8d76f",
-      "metadata": {
-        "id": "f2f8d76f"
-      },
-      "outputs": [],
-      "source": [
-        "display(infilled_protein)"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "269d8f5e",
-      "metadata": {
-        "id": "269d8f5e",
-        "pycharm": {
-          "name": "#%% md\n"
-        }
-      },
-      "source": [
-        "## Shape\n",
-        "\n",
-        "The shape conditioner enforces adherance to a predefined volumetric shape as represented by a point cloud. In the below example we use the Python Imaging Library to render a 3D point cloud from letters, and then we use the ShapeConditioner to sample backbones consistent with this point cloud. The user can set hyperparameters and vary the letter and the number of residues. For faster feedback, the number of steps has been decreased from that used in the manuscript. In this example both the choice of `LETTER` and the number of protein residues that fill the point cloud.\n",
-        " * `LETTER`: a single character string containing the letter that will be made by the conditioner.\n",
-        " * `NUM_RESIDUES`: the number of protein residues to fill the point cloud.\n"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "4736bb86",
-      "metadata": {
-        "id": "4736bb86"
-      },
-      "outputs": [],
-      "source": [
-        "LETTER = \"G\"\n",
-        "NUM_RESIDUES = 1000"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "2a2e109a",
-      "metadata": {
-        "id": "2a2e109a",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "# Configure Shape Conditioner\n",
-        "from chroma.utility.chroma import letter_to_point_cloud\n",
-        "letter_point_cloud = letter_to_point_cloud(LETTER)\n",
-        "\n",
-        "conditioner = conditioners.ShapeConditioner(\n",
-        "        letter_point_cloud,\n",
-        "        chroma.backbone_network.noise_schedule,\n",
-        "        autoscale_num_residues=NUM_RESIDUES).to(device)"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "adbe3e70",
-      "metadata": {
-        "id": "adbe3e70",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "# Draw a Sample\n",
-        "torch.manual_seed(0)\n",
-        "shaped_protein = chroma.sample(chain_lengths=[NUM_RESIDUES], conditioner=conditioner)"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "111c8b74",
-      "metadata": {
-        "id": "111c8b74"
-      },
-      "outputs": [],
-      "source": [
-        "display(shaped_protein)"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "27e1fcce",
-      "metadata": {
-        "id": "27e1fcce",
-        "pycharm": {
-          "name": "#%% md\n"
-        }
-      },
-      "source": [
-        "## CATH class\n",
-        "\n",
-        "Proteins can be conditionally generated with specified folds according to CATH class annotations.  This conditioner uses the ProClass Model. Below we show a minimal example conditioning on generating a protein with mostly beta content.\n",
-        "\n",
-        "The ProClass Conditioner can set CATH class annotations at 3 levels.\n",
-        "\n",
-        "* `CATH_ANNOTATION`: `X`, e.g. `2` Selects a C level annotation, in this case \"Mostly Beta\"\n",
-        "* `CATH_ANNOTATION`: `X.X`, e.g. `2.60` Selects a CA level annotation, in this case \"Sandwich\"\n",
-        "* `CATH_ANNOTATION`: `X.X.X` e.g. `2.60.40` Selects a CAT level annotation, in this case \"Immunoglobulin-like\"\n",
-        "\n",
-        "In general C level annotations are most robust.  CA and CAT level annotations typically require many more samples to get good results. See the paper experiments for details."
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "48107807",
-      "metadata": {
-        "id": "48107807",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "CATH_ANNOTATION = '2.60.40'"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "24d5e164",
-      "metadata": {
-        "id": "24d5e164",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "# Draw a Sample\n",
-        "torch.manual_seed(0)\n",
-        "conditioner = conditioners.ProClassConditioner('cath', CATH_ANNOTATION)\n",
-        "cath_conditioned_protein = chroma.sample(conditioner=conditioner)"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "2fa3492b",
-      "metadata": {
-        "id": "2fa3492b",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "display(cath_conditioned_protein)"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "4f09cb2e",
-      "metadata": {
-        "id": "4f09cb2e",
-        "pycharm": {
-          "name": "#%% md\n"
-        }
-      },
-      "source": [
-        "## Natural language"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "af8201d4",
-      "metadata": {
-        "id": "af8201d4"
-      },
-      "source": [
-        "Here, we demonstrate backbone generation conditioned on natural language prompts. The sampling is guided by the gradients of a structure to text model. To condition, we define a `ProCapConditioner` with the following inputs:\n",
-        "- a caption\n",
-        "- the chain ID, specifying the (1-indexed) caption refers to; captions corresponding to the entire protein can be indicated with `chain_id = -1`\n",
-        "- the weight with which to use the conditioner\n",
-        "\n",
-        "Training was performed with individual chain captions drawn from UniProt, and complex-level captions taken from the PDB.\n",
-        "\n",
-        "Below, we demonstrate caption-guided sampling to obtain a single chain backbone corresponding to an SH2 domain."
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "8d9dfce9",
-      "metadata": {
-        "id": "8d9dfce9",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "CAPTION = \"Crystal structure of SH2 domain\""
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "05e02265",
-      "metadata": {
-        "id": "05e02265",
-        "pycharm": {
-          "name": "#%%\n"
-        }
-      },
-      "outputs": [],
-      "source": [
-        "# Draw a Sample\n",
-        "torch.manual_seed(0)\n",
-        "conditioner = conditioners.ProCapConditioner(CAPTION, -1)\n",
-        "caption_conditioned_protein = chroma.sample(steps=200, chain_lengths=[110], conditioner=conditioner)"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": null,
-      "id": "bb43c861",
-      "metadata": {
-        "id": "bb43c861",
-        "pycharm": {
-          "name": "#%%\n"
-        },
-        "scrolled": true
-      },
-      "outputs": [],
-      "source": [
-        "display(caption_conditioned_protein)"
-      ]
-    }
-  ],
-  "metadata": {
-    "accelerator": "GPU",
-    "colab": {
-      "gpuType": "T4",
-      "provenance": []
-    },
-    "kernelspec": {
-      "display_name": "Python 3",
-      "name": "python3"
-    },
-    "language_info": {
-      "codemirror_mode": {
-        "name": "ipython",
-        "version": 3
-      },
-      "file_extension": ".py",
-      "mimetype": "text/x-python",
-      "name": "python",
-      "nbconvert_exporter": "python",
-      "pygments_lexer": "ipython3",
-      "version": "3.8.0"
-    }
-  },
-  "nbformat": 4,
-  "nbformat_minor": 5
-}

chroma/notebooks/ChromaConditioners.ipynb

@@ -1,425 +0,0 @@
-{
-  "cells": [
-    {
-      "cell_type": "markdown",
-      "id": "6db2e2b4",
-      "metadata": {
-        "id": "6db2e2b4"
-      },
-      "source": [
-        "## Build and Compose Conditioners\n",
-        "\n",
-        "### Overview\n",
-        "Protein design via Chroma is highly customizable and programmable. Our robust Conditioner framework enables automatic conditional sampling tailored to a diverse array of protein specifications. This can involve either restraints (which bias the distribution of states using classifier guidance) or constraints (that directly limit the scope of the underlying sampling process). For a detailed explanation, refer to Supplementary Appendix M in our paper. We offer a variety of pre-defined conditioners, including those for managing substructure, symmetry, shape, semantics, and even natural-language prompts (see `chroma.layers.structure.conditioners`). These conditioners can be utilized in any combination to suit your specific needs."
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "3b4c35a7",
-      "metadata": {
-        "id": "3b4c35a7"
-      },
-      "source": [
-        "### Composing Conditioners\n",
-        "\n",
-        "Conditioners in Chroma can be combined seamlessly using `conditioners.ComposedConditioner`, akin to how layers are sequenced in `torch.nn.Sequential`. You can define individual conditioners and then aggregate them into a single collective list which will sequentially apply constrained transformations.\n",
-        "\n",
-        "```python\n",
-        "composed_conditioner = conditioners.ComposedConditioner([conditioner1, conditioner2, conditioner3])\n",
-        "```"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "b2lOsBQFhypc",
-      "metadata": {
-        "id": "b2lOsBQFhypc"
-      },
-      "source": [
-        "#### Setup"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 1,
-      "id": "4db56efd",
-      "metadata": {
-        "id": "4db56efd"
-      },
-      "outputs": [
-        {
-          "name": "stdout",
-          "output_type": "stream",
-          "text": [
-            "Note: you may need to restart the kernel to use updated packages.\n"
-          ]
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "0854e7da4ca04f71a86260c2e66bbfcc",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": []
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        }
-      ],
-      "source": [
-        "import locale\n",
-        "locale.getpreferredencoding = lambda: \"UTF-8\"\n",
-        "%pip install generate-chroma > /dev/null 2>&1\n",
-        "from chroma import api\n",
-        "api.register_key(input(\"Enter API key: \"))"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "f3ee7c51",
-      "metadata": {
-        "id": "f3ee7c51"
-      },
-      "source": [
-        "#### Example 1: Combining Symmetry and Secondary Structure\n",
-        "In this scenario, we initially apply guidance for secondary structure to condition the content accordingly. This is followed by incorporating Cyclic symmetry. This approach involves adding a secondary structure classifier to conditionally sample an Asymmetric unit (AU) that is beta-rich, followed by symmetrization."
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 10,
-      "id": "37b9c48f",
-      "metadata": {
-        "id": "37b9c48f"
-      },
-      "outputs": [
-        {
-          "name": "stdout",
-          "output_type": "stream",
-          "text": [
-            "Using cached data from /tmp/chroma_weights/90e339502ae6b372797414167ce5a632/weights.pt\n",
-            "Loaded from cache\n",
-            "Using cached data from /tmp/chroma_weights/03a3a9af343ae74998768a2711c8b7ce/weights.pt\n",
-            "Loaded from cache\n",
-            "Data saved to /tmp/chroma_weights/3262b44702040b1dcfccd71ebbcf451d/weights.pt\n",
-            "Computing reference stats for 2g3n\n"
-          ]
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "c67d34c17a45442cb2804cc3c8060222",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "Integrating SDE:   0%|          | 0/500 [00:00<?, ?it/s]"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "760cbac8cf3746919bff0644fd797491",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "Potts Sampling:   0%|          | 0/500 [00:00<?, ?it/s]"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "a65f9ce5a38f4c21a66a0aacfe76b99d",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "Sequential decoding:   0%|          | 0/300 [00:00<?, ?it/s]"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "dbbe249b2a304c30b440602527330c95",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "NGLWidget()"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        }
-      ],
-      "source": [
-        "from chroma.models import Chroma\n",
-        "from chroma.layers.structure import conditioners\n",
-        "\n",
-        "chroma = Chroma()\n",
-        "# Conditional on C=2 (mostly beta)\n",
-        "beta = conditioners.ProClassConditioner('cath', \"2\", weight=5, max_norm=20)\n",
-        "c_symmetry = conditioners.SymmetryConditioner(G=\"C_3\", num_chain_neighbors=2)\n",
-        "composed_cond = conditioners.ComposedConditioner([beta, c_symmetry])\n",
-        "\n",
-        "symm_beta = chroma.sample(chain_lengths=[100],\n",
-        "    conditioner=composed_cond,\n",
-        "    langevin_factor=8,\n",
-        "    inverse_temperature=8,\n",
-        "    sde_func=\"langevin\",\n",
-        "    steps=500)\n",
-        "\n",
-        "symm_beta"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "8b97d729",
-      "metadata": {
-        "id": "8b97d729"
-      },
-      "source": [
-        "#### Example 2: Merging Symmetry and Substructure\n",
-        "Here, our goal is to construct symmetric assemblies from a single-chain protein, partially redesigning it to merge three identical AUs into a Cyclic complex. We begin by defining the backbones targeted for redesign and then reposition the AU to prevent clashes during symmetrization. This is followed by the symmetrization operation itself.\n"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 14,
-      "id": "35c78aad",
-      "metadata": {
-        "id": "35c78aad"
-      },
-      "outputs": [
-        {
-          "name": "stdout",
-          "output_type": "stream",
-          "text": [
-            "Using cached data from /tmp/chroma_weights/90e339502ae6b372797414167ce5a632/weights.pt\n",
-            "Loaded from cache\n",
-            "Using cached data from /tmp/chroma_weights/03a3a9af343ae74998768a2711c8b7ce/weights.pt\n",
-            "Loaded from cache\n"
-          ]
-        },
-        {
-          "ename": "RuntimeError",
-          "evalue": "torch.linalg.cholesky: The factorization could not be completed because the input is not positive-definite (the leading minor of order 27 is not positive-definite).",
-          "output_type": "error",
-          "traceback": [
-            "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-            "\u001b[0;31mRuntimeError\u001b[0m                              Traceback (most recent call last)",
-            "Cell \u001b[0;32mIn[14], line 8\u001b[0m\n\u001b[1;32m      6\u001b[0m protein \u001b[38;5;241m=\u001b[39m Protein(PDB_ID, canonicalize\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mTrue\u001b[39;00m, device\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mcuda\u001b[39m\u001b[38;5;124m'\u001b[39m)\n\u001b[1;32m      7\u001b[0m \u001b[38;5;66;03m# regenerate residues with X coord < 25 A and y coord < 25 A\u001b[39;00m\n\u001b[0;32m----> 8\u001b[0m substruct_conditioner \u001b[38;5;241m=\u001b[39m \u001b[43mconditioners\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mSubstructureConditioner\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m      9\u001b[0m \u001b[43m    \u001b[49m\u001b[43mprotein\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mbackbone_model\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mchroma\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbackbone_network\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mselection\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mx < 25 and y < 25\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m)\u001b[49m\n\u001b[1;32m     11\u001b[0m \u001b[38;5;66;03m# C_3 symmetry\u001b[39;00m\n\u001b[1;32m     12\u001b[0m c_symmetry \u001b[38;5;241m=\u001b[39m conditioners\u001b[38;5;241m.\u001b[39mSymmetryConditioner(G\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mC_3\u001b[39m\u001b[38;5;124m\"\u001b[39m, num_chain_neighbors\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m3\u001b[39m)\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/conditioners.py:881\u001b[0m, in \u001b[0;36mSubstructureConditioner.__init__\u001b[0;34m(self, protein, backbone_model, selection, rg, weight, tspan, weight_max, gamma, center_init)\u001b[0m\n\u001b[1;32m    879\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbase_distribution \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbackbone_model\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39mbase_gaussian\n\u001b[1;32m    880\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnoise_schedule \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbackbone_model\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39mnoise_schedule\n\u001b[0;32m--> 881\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mconditional_distribution \u001b[38;5;241m=\u001b[39m \u001b[43mmvn\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mConditionalBackboneMVNGlobular\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    882\u001b[0m \u001b[43m    \u001b[49m\u001b[43mcovariance_model\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbase_distribution\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcovariance_model\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    883\u001b[0m \u001b[43m    \u001b[49m\u001b[43mcomplex_scaling\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbase_distribution\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcomplex_scaling\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    884\u001b[0m \u001b[43m    \u001b[49m\u001b[43mX\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mX\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    885\u001b[0m \u001b[43m    \u001b[49m\u001b[43mC\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    886\u001b[0m \u001b[43m    \u001b[49m\u001b[43mD\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mD\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    887\u001b[0m \u001b[43m    \u001b[49m\u001b[43mgamma\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mgamma\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    888\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    889\u001b[0m X \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mconditional_distribution\u001b[38;5;241m.\u001b[39msample(\u001b[38;5;241m1\u001b[39m)\n\u001b[1;32m    890\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mtspan \u001b[38;5;241m=\u001b[39m tspan\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/mvn.py:563\u001b[0m, in \u001b[0;36mConditionalBackboneMVNGlobular.__init__\u001b[0;34m(self, covariance_model, complex_scaling, sigma_translation, X, C, D, gamma, **kwargs)\u001b[0m\n\u001b[1;32m    560\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mR\u001b[39m\u001b[38;5;124m\"\u001b[39m, R)\n\u001b[1;32m    561\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mRRt\u001b[39m\u001b[38;5;124m\"\u001b[39m, RRt)\n\u001b[0;32m--> 563\u001b[0m R_clamp, RRt_clamp \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_condition_RRt\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mRRt\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mD\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    564\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mR_clamp\u001b[39m\u001b[38;5;124m\"\u001b[39m, R_clamp)\n\u001b[1;32m    565\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mRRt_clamp\u001b[39m\u001b[38;5;124m\"\u001b[39m, RRt_clamp)\n",
-            "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/mvn.py:712\u001b[0m, in \u001b[0;36mConditionalBackboneMVNGlobular._condition_RRt\u001b[0;34m(self, RRt, D)\u001b[0m\n\u001b[1;32m    709\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mS22\u001b[39m\u001b[38;5;124m\"\u001b[39m, RRt[\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnonzero_indices][:, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnonzero_indices])\n\u001b[1;32m    711\u001b[0m S_clamp \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mS11 \u001b[38;5;241m-\u001b[39m ((\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mS12 \u001b[38;5;241m@\u001b[39m torch\u001b[38;5;241m.\u001b[39mlinalg\u001b[38;5;241m.\u001b[39mpinv(\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mS22) \u001b[38;5;241m@\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mS21))\n\u001b[0;32m--> 712\u001b[0m R_clamp \u001b[38;5;241m=\u001b[39m \u001b[43mtorch\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mlinalg\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcholesky\u001b[49m\u001b[43m(\u001b[49m\u001b[43mS_clamp\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    713\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mRRt_clamp_restricted\u001b[39m\u001b[38;5;124m\"\u001b[39m, R_clamp \u001b[38;5;241m@\u001b[39m R_clamp\u001b[38;5;241m.\u001b[39mt())\n\u001b[1;32m    714\u001b[0m RRt_clamp \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_scatter(\n\u001b[1;32m    715\u001b[0m     torch\u001b[38;5;241m.\u001b[39mzeros_like(RRt), \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mzero_indices, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mRRt_clamp_restricted\n\u001b[1;32m    716\u001b[0m )\n",
-            "\u001b[0;31mRuntimeError\u001b[0m: torch.linalg.cholesky: The factorization could not be completed because the input is not positive-definite (the leading minor of order 27 is not positive-definite)."
-          ]
-        }
-      ],
-      "source": [
-        "from chroma.data import Protein\n",
-        "\n",
-        "PDB_ID = '3BDI'\n",
-        "chroma = Chroma()\n",
-        "\n",
-        "protein = Protein(PDB_ID, canonicalize=True, device='cuda')\n",
-        "# regenerate residues with X coord < 25 A and y coord < 25 A\n",
-        "substruct_conditioner = conditioners.SubstructureConditioner(\n",
-        "    protein, backbone_model=chroma.backbone_network, selection=\"x < 25 and y < 25\")\n",
-        "\n",
-        "# C_3 symmetry\n",
-        "c_symmetry = conditioners.SymmetryConditioner(G=\"C_3\", num_chain_neighbors=3)\n",
-        "\n",
-        "# Composing\n",
-        "composed_cond = conditioners.ComposedConditioner([substruct_conditioner, c_symmetry])\n",
-        "\n",
-        "protein, trajectories = chroma.sample(\n",
-        "    protein_init=protein,\n",
-        "    conditioner=composed_cond,\n",
-        "    langevin_factor=4.0,\n",
-        "    langevin_isothermal=True,\n",
-        "    inverse_temperature=8.0,\n",
-        "    sde_func='langevin',\n",
-        "    steps=500,\n",
-        "    full_output=True,\n",
-        ")\n",
-        "\n",
-        "protein"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "de3c2b97",
-      "metadata": {
-        "id": "de3c2b97"
-      },
-      "source": [
-        "### Build your own conditioners: 2D protein lattices\n",
-        "\n",
-        "An attractive aspect of this conditioner framework is that it is very general, enabling both constraints (which involve operations on $x$) and restraints (which amount to changes to $U$). At the same time, generation under restraints can still be (and often is) challenging, as the resulting effective energy landscape can become arbitrarily rugged and difficult to integrate. We therefore advise caution when using and developing new conditioners or conditioner combinations. We find that inspecting diffusition trajectories (including unconstrained and denoised trajectories, $\\hat{x}_t$ and $\\tilde{x}_t$) can be a good tool for identifying integration challenges and defining either better conditioner forms or better sampling regimes.\n",
-        "\n",
-        "Here we present how to build a conditioner that generates a periodic 2D lattice. You can easily extend this code snippet to generate 3D protein materials."
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 13,
-      "id": "2bb9dcf3",
-      "metadata": {
-        "id": "2bb9dcf3"
-      },
-      "outputs": [
-        {
-          "name": "stdout",
-          "output_type": "stream",
-          "text": [
-            "Using cached data from /tmp/chroma_weights/90e339502ae6b372797414167ce5a632/weights.pt\n",
-            "Loaded from cache\n",
-            "Using cached data from /tmp/chroma_weights/03a3a9af343ae74998768a2711c8b7ce/weights.pt\n",
-            "Loaded from cache\n"
-          ]
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "14663b93ee8a48d3932635b073d60eda",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "Integrating SDE:   0%|          | 0/500 [00:00<?, ?it/s]"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "4a123abffdcc4b6b84062d85ba3d4ead",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "Potts Sampling:   0%|          | 0/500 [00:00<?, ?it/s]"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "3cc618db756747d1993075205fa455cd",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "Sequential decoding:   0%|          | 0/720 [00:00<?, ?it/s]"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        },
-        {
-          "data": {
-            "application/vnd.jupyter.widget-view+json": {
-              "model_id": "08f4338906a744d6bfcf78868f4853f3",
-              "version_major": 2,
-              "version_minor": 0
-            },
-            "text/plain": [
-              "NGLWidget()"
-            ]
-          },
-          "metadata": {},
-          "output_type": "display_data"
-        }
-      ],
-      "source": [
-        "import torch\n",
-        "\n",
-        "class Lattice2DConditioner(conditioners.Conditioner):\n",
-        "    def __init__(self, M, N, cell):\n",
-        "        super().__init__()\n",
-        "        # Setup the coordinates of a 2D lattice\n",
-        "        self.order = M*N\n",
-        "        x = torch.arange(M) * cell[0]\n",
-        "        y = torch.arange(N) * cell[1]\n",
-        "        xx, yy = torch.meshgrid(x, y, indexing=\"ij\")\n",
-        "        dX = torch.stack([xx.flatten(), yy.flatten(), torch.zeros(M * N)], dim=1)\n",
-        "        self.register_buffer(\"dX\", dX)\n",
-        "\n",
-        "    def forward(self, X, C, O, U, t):\n",
-        "        # Tesselate the unit cell on the lattice\n",
-        "        X = (X[:,None,...] + self.dX[None,:,None,None]).reshape(1, -1, 4, 3)\n",
-        "        C = torch.cat([C + C.unique().max() * i for i in range(self.dX.shape[0])], dim=1)\n",
-        "        # Average the gradient\n",
-        "        X.register_hook(lambda gradX: gradX / self.order)\n",
-        "        return X, C, O, U, t\n",
-        "\n",
-        "chroma = Chroma()\n",
-        "M, N = 3, 3\n",
-        "conditioner = Lattice2DConditioner(M=M, N=N, cell=[25., 25.]).cuda()\n",
-        "protein, trajectories = chroma.sample(\n",
-        "    chain_lengths=[80], conditioner=conditioner, sde_func='langevin',\n",
-        "    potts_symmetry_order=conditioner.order,\n",
-        "    full_output=True\n",
-        ")\n",
-        "\n",
-        "protein"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "id": "4ecf48ff",
-      "metadata": {
-        "id": "4ecf48ff"
-      },
-      "source": [
-        "#### Notes on Troubleshooting\n",
-        "1. The sequence in which you apply conditioners is crucial. Generally, it's best to apply stringent and all-encompassing constraints towards the end. For instance, symmetry, a constraint that affects the entire complex, should be implemented last in the conditioner list.\n",
-        "When troubleshooting a conditioner, it's helpful to test it on a singular protein state. This helps in verifying if the resulting transformation aligns with your expectations.\n",
-        "2. If your conditioner, like the SymmetryConditioner, make copies of a single protein multiple times, it's important to divide the pull-back gradients by the number of protein copies. This prevents excessive gradient accumulation on the protein asymmetric unit, similar to what occurs in the Lattice2DConditioner. Refer to Appendix M for more details.\n",
-        "3. Adjusting sampling hyperparameters may be necessary when experimenting with new conditioners. Key parameters to consider include the langevin_factor, inverse_temperature, isothermal settings, steps, and guidance scale (especially when applying restraints). For dealing with hard constraints, it's usually advisable to use sde_func='langevin'."
-      ]
-    }
-  ],
-  "metadata": {
-    "accelerator": "GPU",
-    "colab": {
-      "gpuType": "T4",
-      "provenance": [],
-      "toc_visible": true
-    },
-    "kernelspec": {
-      "display_name": "Python 3",
-      "name": "python3"
-    },
-    "language_info": {
-      "codemirror_mode": {
-        "name": "ipython",
-        "version": 3
-      },
-      "file_extension": ".py",
-      "mimetype": "text/x-python",
-      "name": "python",
-      "nbconvert_exporter": "python",
-      "pygments_lexer": "ipython3",
-      "version": "3.8.0"
-    }
-  },
-  "nbformat": 4,
-  "nbformat_minor": 5
-}

chroma/notebooks/ChromaDemo.ipynb

@@ -1,705 +0,0 @@
-{
- "cells": [
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "id": "zb9d5N92iMz2"
-   },
-   "source": [
-    "# Chroma quickstart\n",
-    "\n",
-    "First, run the [setup cell](#setup) below. Then, run [this cell](#unconditional-chain) to get a Chroma sample. Further examples are below."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 2,
-   "metadata": {
-    "cellView": "form",
-    "id": "KaT878cbeOQm"
-   },
-   "outputs": [],
-   "source": [
-    "# @title Setup\n",
-    "\n",
-    "# @markdown [Get your API key here](https://chroma-weights.generatebiomedicines.com) and enter it below before running.\n",
-    "\n",
-    "import os\n",
-    "\n",
-    "os.environ[\"CUBLAS_WORKSPACE_CONFIG\"] = \":4096:8\"\n",
-    "import contextlib\n",
-    "\n",
-    "api_key = \"2cdade6d058b4fd1b85fa5badb501312\"  # @param {type:\"string\"}\n",
-    "\n",
-    "\n",
-    "import torch\n",
-    "\n",
-    "# torch.use_deterministic_algorithms(False)\n",
-    "\n",
-    "import warnings\n",
-    "from tqdm import tqdm, TqdmExperimentalWarning\n",
-    "\n",
-    "warnings.filterwarnings(\"ignore\", category=TqdmExperimentalWarning)\n",
-    "from functools import partialmethod\n",
-    "\n",
-    "tqdm.__init__ = partialmethod(tqdm.__init__, leave=False)\n",
-    "\n",
-    "import ipywidgets as widgets\n",
-    "\n",
-    "\n",
-    "def create_button(filename, description=\"\"):\n",
-    "    button = widgets.Button(description=description)\n",
-    "    display(button)\n",
-    "\n",
-    "    def on_button_click(b):\n",
-    "        files.download(filename)\n",
-    "\n",
-    "    button.on_click(on_button_click)\n",
-    "\n",
-    "\n",
-    "def render(protein, trajectories, output=\"protein.cif\"):\n",
-    "    display(protein)\n",
-    "    print(protein)\n",
-    "    protein.to_CIF(output)\n",
-    "    traj_output = output.replace(\".cif\", \"_trajectory.cif\")\n",
-    "    trajectories[\"trajectory\"].to_CIF(traj_output)\n",
-    "    create_button(output, description=\"Download sample\")\n",
-    "    create_button(traj_output, description=\"Download trajectory\")\n",
-    "\n",
-    "\n",
-    "import locale\n",
-    "\n",
-    "locale.getpreferredencoding = lambda: \"UTF-8\"\n",
-    "\n",
-    "from chroma import Chroma, Protein, conditioners\n",
-    "from chroma.models import graph_classifier, procap\n",
-    "from chroma.utility.api import register_key\n",
-    "from chroma.utility.chroma import letter_to_point_cloud, plane_split_protein\n",
-    "\n",
-    "register_key(api_key)\n",
-    "device = \"cuda\"\n",
-    "with contextlib.redirect_stdout(None):\n",
-    "    chroma = Chroma(device=device)\n",
-    "\n"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 3,
-   "metadata": {
-    "id": "sfNODIk5BZEH"
-   },
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Integrating SDE:   0%|          | 0/200 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Potts Sampling:   0%|          | 0/500 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Sequential decoding:   0%|          | 0/160 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "57f832c5197d4f4ebfa2ed5fae343db3",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "NGLWidget()"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Protein: system\n",
-      "> Chain A (160 residues)\n",
-      "MRIEARTPEAARRAVDLAIKLKEKGYEVLLVLIGDPSNPELLEIARRLAEAGAKIRVIALVDDSPEAQAGVERLRQVCEELREKGADVELDVITAPLDDPEAQQRARELAEKYISEGEEEAKKKNKPFILILVRPSTDEEEAQREADEAEKKIEEYLKSL\n",
-      "\n",
-      "\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "3385daceb5b0490092690b7f8bcbaccd",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Button(description='Download sample', style=ButtonStyle())"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "12e79378174b42f2890daf1102bfecea",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Button(description='Download trajectory', style=ButtonStyle())"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "# @title Get a protein! <a name=\"unconditional-chain\"></a> {display-mode: \"form\"}\n",
-    "\n",
-    "# @markdown Specify the desired length. Chroma will output a fully designed single chain protein.\n",
-    "# @markdown As with all examples in this notebook, the trajectory can also be downloaded.\n",
-    "\n",
-    "length = 160  # @param {type:\"slider\", min:50, max:250, step:10}\n",
-    "\n",
-    "protein, trajectories = chroma.sample(\n",
-    "    chain_lengths=[length], steps=200, full_output=True\n",
-    ")\n",
-    "render(protein, trajectories, output=\" .cif\")"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "id": "14AUlQHIxPle"
-   },
-   "source": [
-    "## Conditional generation\n",
-    "\n",
-    "After running the setup at the top of the notebook, all examples are completely independent.\n",
-    "\n",
-    "[Single chain](#unconditional-chain): the simplest example of protein generation with Chroma.\n",
-    "\n",
-    "[Complex](#unconditional-complex): a protein with multiple chains.\n",
-    "\n",
-    "[Symmetry](#symmetry): a symmetric complex, where the symmetry group and subunit size can be input by the user.\n",
-    "\n",
-    "[Substructure](#substructure): infilling a PDB structure, where the residues to design can be specified by a PyMOL-style string.\n",
-    "\n",
-    "[Shape](#shape): Chroma generation conditioned on shape, using letters as an example.\n",
-    "\n",
-    "[Topology](#proclass-chain): chain-level conditioning using ProClass, where a CAT code can be specified.\n",
-    "\n",
-    "[Secondary structure](#proclass-residue): ProClass also provides conditioning of secondary structure, which can be input as a per-residue string.\n",
-    "\n",
-    "[Natural language](#procap): ProCap takes a user caption in order to condition Chroma generation.\n",
-    "\n"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {
-    "id": "KLbZia40CQhK"
-   },
-   "outputs": [],
-   "source": [
-    "# @title Complexes <a name=\"unconditional-complex\"></a> {display-mode: \"form\"}\n",
-    "\n",
-    "# @markdown Given the lengths of individual chains, Chroma can generate a complex.\n",
-    "\n",
-    "chain1_length = 400  # @param {type:\"slider\", min:100, max:500, step:10}\n",
-    "chain2_length = 100  # @param {type:\"slider\", min:0, max:200, step:10}\n",
-    "chain3_length = 100  # @param {type:\"slider\", min:0, max:200, step:10}\n",
-    "chain4_length = 100  # @param {type:\"slider\", min:0, max:200, step:10}\n",
-    "\n",
-    "protein, trajectories = chroma.sample(\n",
-    "    chain_lengths=[chain1_length, chain2_length, chain3_length, chain4_length],\n",
-    "    steps=200,\n",
-    "    full_output=True,\n",
-    ")\n",
-    "render(protein, trajectories, output=\"complex.cif\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {
-    "id": "7FpA3VzWWTM_"
-   },
-   "outputs": [],
-   "source": [
-    "# @title Symmetry <a name=\"symmetry\"></a> {display-mode: \"form\"}\n",
-    "\n",
-    "# @markdown Specify the desired symmetry type and the size of a single subunit.\n",
-    "\n",
-    "symmetry_group = \"C_7\"  # @param [\"C_2\", \"C_3\", \"C_4\", \"C_5\", \"C_6\", \"C_7\", \"C_8\", \"D_2\", \"D_3\", \"D_4\", \"D_5\", \"D_6\", \"D_7\", \"D_8\", \"T\", \"O\", \"I\"]\n",
-    "subunit_size = 100  # @param {type:\"slider\", min:10, max:150, step:5}\n",
-    "knbr = 2\n",
-    "\n",
-    "conditioner = conditioners.SymmetryConditioner(\n",
-    "    G=symmetry_group, num_chain_neighbors=knbr\n",
-    ")\n",
-    "symmetric_protein, trajectories = chroma.sample(\n",
-    "    chain_lengths=[subunit_size],\n",
-    "    conditioner=conditioner,\n",
-    "    langevin_factor=8,\n",
-    "    inverse_temperature=8,\n",
-    "    sde_func=\"langevin\",\n",
-    "    potts_symmetry_order=conditioner.potts_symmetry_order,\n",
-    "    full_output=True,\n",
-    ")\n",
-    "render(symmetric_protein, trajectories, output=\"symmetric_protein.cif\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 9,
-   "metadata": {
-    "id": "BCTxghg19meL"
-   },
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "29438c75064c436aa3cffff6876f9bf3",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "NGLWidget()"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Split protein by plane, masking 52.38 percent of residues.\n",
-      "Error initializing conditioner! Falling back to masking 50% of residues.\n"
-     ]
-    },
-    {
-     "ename": "RuntimeError",
-     "evalue": "expected scalar type Double but found Float",
-     "output_type": "error",
-     "traceback": [
-      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-      "\u001b[0;31mRuntimeError\u001b[0m                              Traceback (most recent call last)",
-      "Cell \u001b[0;32mIn[9], line 24\u001b[0m\n\u001b[1;32m     23\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[0;32m---> 24\u001b[0m     conditioner \u001b[38;5;241m=\u001b[39m \u001b[43mconditioners\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mSubstructureConditioner\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m     25\u001b[0m \u001b[43m        \u001b[49m\u001b[43mprotein\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mbackbone_model\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mchroma\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbackbone_network\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mselection\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mselection_string\u001b[49m\n\u001b[1;32m     26\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\u001b[38;5;241m.\u001b[39mto(device)\n\u001b[1;32m     27\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m \u001b[38;5;167;01mException\u001b[39;00m:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/conditioners.py:881\u001b[0m, in \u001b[0;36mSubstructureConditioner.__init__\u001b[0;34m(self, protein, backbone_model, selection, rg, weight, tspan, weight_max, gamma, center_init)\u001b[0m\n\u001b[1;32m    880\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnoise_schedule \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbackbone_model\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39mnoise_schedule\n\u001b[0;32m--> 881\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mconditional_distribution \u001b[38;5;241m=\u001b[39m \u001b[43mmvn\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mConditionalBackboneMVNGlobular\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    882\u001b[0m \u001b[43m    \u001b[49m\u001b[43mcovariance_model\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbase_distribution\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcovariance_model\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    883\u001b[0m \u001b[43m    \u001b[49m\u001b[43mcomplex_scaling\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbase_distribution\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcomplex_scaling\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    884\u001b[0m \u001b[43m    \u001b[49m\u001b[43mX\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mX\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    885\u001b[0m \u001b[43m    \u001b[49m\u001b[43mC\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    886\u001b[0m \u001b[43m    \u001b[49m\u001b[43mD\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mD\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    887\u001b[0m \u001b[43m    \u001b[49m\u001b[43mgamma\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mgamma\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    888\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    889\u001b[0m X \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mconditional_distribution\u001b[38;5;241m.\u001b[39msample(\u001b[38;5;241m1\u001b[39m)\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/mvn.py:559\u001b[0m, in \u001b[0;36mConditionalBackboneMVNGlobular.__init__\u001b[0;34m(self, covariance_model, complex_scaling, sigma_translation, X, C, D, gamma, **kwargs)\u001b[0m\n\u001b[1;32m    558\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_check_C(\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mC\u001b[38;5;241m.\u001b[39mabs())\n\u001b[0;32m--> 559\u001b[0m R, RRt \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_materialize_RRt\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mC\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    560\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mR\u001b[39m\u001b[38;5;124m\"\u001b[39m, R)\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/mvn.py:648\u001b[0m, in \u001b[0;36mConditionalBackboneMVNGlobular._materialize_RRt\u001b[0;34m(self, C)\u001b[0m\n\u001b[1;32m    646\u001b[0m R_init \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_build_R_init(C_atom, b)\n\u001b[0;32m--> 648\u001b[0m R \u001b[38;5;241m=\u001b[39m \u001b[43ma\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mR_center\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m@\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mR_sum\u001b[49m \u001b[38;5;241m@\u001b[39m R_init\n\u001b[1;32m    649\u001b[0m RRt \u001b[38;5;241m=\u001b[39m R \u001b[38;5;241m@\u001b[39m R\u001b[38;5;241m.\u001b[39mt()\n",
-      "\u001b[0;31mRuntimeError\u001b[0m: expected scalar type Double but found Float",
-      "\nDuring handling of the above exception, another exception occurred:\n",
-      "\u001b[0;31mRuntimeError\u001b[0m                              Traceback (most recent call last)",
-      "Cell \u001b[0;32mIn[9], line 30\u001b[0m\n\u001b[1;32m     28\u001b[0m     \u001b[38;5;28mprint\u001b[39m(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mError initializing conditioner! Falling back to masking 50\u001b[39m\u001b[38;5;132;01m% o\u001b[39;00m\u001b[38;5;124mf residues.\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[1;32m     29\u001b[0m     selection_string \u001b[38;5;241m=\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mnamesel infilling_selection\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[0;32m---> 30\u001b[0m     conditioner \u001b[38;5;241m=\u001b[39m \u001b[43mconditioners\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mSubstructureConditioner\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m     31\u001b[0m \u001b[43m        \u001b[49m\u001b[43mprotein\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m     32\u001b[0m \u001b[43m        \u001b[49m\u001b[43mbackbone_model\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mchroma\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbackbone_network\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m     33\u001b[0m \u001b[43m        \u001b[49m\u001b[43mselection\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mselection_string\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m     34\u001b[0m \u001b[43m        \u001b[49m\u001b[43mrg\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mTrue\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m     35\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\u001b[38;5;241m.\u001b[39mto(device)\n\u001b[1;32m     37\u001b[0m infilled_protein, trajectories \u001b[38;5;241m=\u001b[39m chroma\u001b[38;5;241m.\u001b[39msample(\n\u001b[1;32m     38\u001b[0m     protein_init\u001b[38;5;241m=\u001b[39mprotein,\n\u001b[1;32m     39\u001b[0m     conditioner\u001b[38;5;241m=\u001b[39mconditioner,\n\u001b[0;32m   (...)\u001b[0m\n\u001b[1;32m     45\u001b[0m     full_output\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mTrue\u001b[39;00m,\n\u001b[1;32m     46\u001b[0m )\n\u001b[1;32m     47\u001b[0m render(infilled_protein, trajectories, output\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124minfilled_protein.cif\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/conditioners.py:881\u001b[0m, in \u001b[0;36mSubstructureConditioner.__init__\u001b[0;34m(self, protein, backbone_model, selection, rg, weight, tspan, weight_max, gamma, center_init)\u001b[0m\n\u001b[1;32m    879\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbase_distribution \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbackbone_model\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39mbase_gaussian\n\u001b[1;32m    880\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnoise_schedule \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mbackbone_model\u001b[38;5;241m.\u001b[39mnoise_perturb\u001b[38;5;241m.\u001b[39mnoise_schedule\n\u001b[0;32m--> 881\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mconditional_distribution \u001b[38;5;241m=\u001b[39m \u001b[43mmvn\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mConditionalBackboneMVNGlobular\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    882\u001b[0m \u001b[43m    \u001b[49m\u001b[43mcovariance_model\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbase_distribution\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcovariance_model\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    883\u001b[0m \u001b[43m    \u001b[49m\u001b[43mcomplex_scaling\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbase_distribution\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcomplex_scaling\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    884\u001b[0m \u001b[43m    \u001b[49m\u001b[43mX\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mX\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    885\u001b[0m \u001b[43m    \u001b[49m\u001b[43mC\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mC\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    886\u001b[0m \u001b[43m    \u001b[49m\u001b[43mD\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mD\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    887\u001b[0m \u001b[43m    \u001b[49m\u001b[43mgamma\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mgamma\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    888\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    889\u001b[0m X \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mconditional_distribution\u001b[38;5;241m.\u001b[39msample(\u001b[38;5;241m1\u001b[39m)\n\u001b[1;32m    890\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mtspan \u001b[38;5;241m=\u001b[39m tspan\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/mvn.py:559\u001b[0m, in \u001b[0;36mConditionalBackboneMVNGlobular.__init__\u001b[0;34m(self, covariance_model, complex_scaling, sigma_translation, X, C, D, gamma, **kwargs)\u001b[0m\n\u001b[1;32m    556\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mD\u001b[39m\u001b[38;5;124m\"\u001b[39m, D\u001b[38;5;241m.\u001b[39mfloat())\n\u001b[1;32m    558\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_check_C(\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mC\u001b[38;5;241m.\u001b[39mabs())\n\u001b[0;32m--> 559\u001b[0m R, RRt \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_materialize_RRt\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mC\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    560\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mR\u001b[39m\u001b[38;5;124m\"\u001b[39m, R)\n\u001b[1;32m    561\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mregister_buffer(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mRRt\u001b[39m\u001b[38;5;124m\"\u001b[39m, RRt)\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/layers/structure/mvn.py:648\u001b[0m, in \u001b[0;36mConditionalBackboneMVNGlobular._materialize_RRt\u001b[0;34m(self, C)\u001b[0m\n\u001b[1;32m    645\u001b[0m R_sum \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_build_R_sum(C_atom, b)\n\u001b[1;32m    646\u001b[0m R_init \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_build_R_init(C_atom, b)\n\u001b[0;32m--> 648\u001b[0m R \u001b[38;5;241m=\u001b[39m \u001b[43ma\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mR_center\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m@\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mR_sum\u001b[49m \u001b[38;5;241m@\u001b[39m R_init\n\u001b[1;32m    649\u001b[0m RRt \u001b[38;5;241m=\u001b[39m R \u001b[38;5;241m@\u001b[39m R\u001b[38;5;241m.\u001b[39mt()\n\u001b[1;32m    650\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m R, RRt\n",
-      "\u001b[0;31mRuntimeError\u001b[0m: expected scalar type Double but found Float"
-     ]
-    }
-   ],
-   "source": [
-    "# @title Substructure <a name=\"substructure\"></a> {display-mode: \"form\"}\n",
-    "\n",
-    "# @markdown Enter a PDB ID and a selection string corresponding to designable positions.\n",
-    "# @markdown Using a substructure conditioner, Chroma can design at these positions while holding the rest of the structure fixed.\n",
-    "# @markdown The default selection cuts the protein in half and fills it in.\n",
-    "# @markdown Other selections, by position or proximity, are also allowed.\n",
-    "\n",
-    "pdb_id = \"5SV5\"  # @param ['5SV5', '6QAZ', '3BDI'] {allow-input:true}\n",
-    "\n",
-    "try:\n",
-    "    protein = Protein.from_PDBID(pdb_id, canonicalize=True, device=device)\n",
-    "    display(protein)\n",
-    "except FileNotFoundError:\n",
-    "    print(\"Invalid PDB ID! Using 3BDI\")\n",
-    "    pdb_id = \"3BDI\"\n",
-    "    protein = Protein.from_PDBID(pdb_id, canonicalize=True, device=device)\n",
-    "\n",
-    "X, C, _ = protein.to_XCS()\n",
-    "selection_string = \"namesel infilling_selection\"  # @param ['namesel infilling_selection', 'z > 16', '(resid 50) around 10'] {allow-input:true}\n",
-    "residues_to_design = plane_split_protein(X, C, protein, 0.5).nonzero()[:, 1].tolist()\n",
-    "protein.sys.save_selection(gti=residues_to_design, selname=\"infilling_selection\")\n",
-    "\n",
-    "try:\n",
-    "    conditioner = conditioners.SubstructureConditioner(\n",
-    "        protein, backbone_model=chroma.backbone_network, selection=selection_string\n",
-    "    ).to(device)\n",
-    "except Exception:\n",
-    "    print(\"Error initializing conditioner! Falling back to masking 50% of residues.\")\n",
-    "    selection_string = \"namesel infilling_selection\"\n",
-    "    conditioner = conditioners.SubstructureConditioner(\n",
-    "        protein,\n",
-    "        backbone_model=chroma.backbone_network,\n",
-    "        selection=selection_string,\n",
-    "        rg=True,\n",
-    "    ).to(device)\n",
-    "\n",
-    "infilled_protein, trajectories = chroma.sample(\n",
-    "    protein_init=protein,\n",
-    "    conditioner=conditioner,\n",
-    "    langevin_factor=4.0,\n",
-    "    langevin_isothermal=True,\n",
-    "    inverse_temperature=8.0,\n",
-    "    steps=500,\n",
-    "    sde_func=\"langevin\",\n",
-    "    full_output=True,\n",
-    ")\n",
-    "render(infilled_protein, trajectories, output=\"infilled_protein.cif\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "print(device)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {
-    "id": "h5C-SrJEBqIs"
-   },
-   "outputs": [],
-   "source": [
-    "# @title Shape <a name=\"shape\"></a> {display-mode: \"form\"}\n",
-    "\n",
-    "# @markdown Create a protein in the shape of a desired character of arbitrary length.\n",
-    "\n",
-    "character = \"G\"  # @param {type:\"string\"}\n",
-    "if len(character) > 1:\n",
-    "    character = character[:1]\n",
-    "    print(f\"Keeping only first character ({character})!\")\n",
-    "length = 1000  # @param {type:\"slider\", min:100, max:1500, step:100}\n",
-    "\n",
-    "letter_point_cloud = letter_to_point_cloud(character)\n",
-    "conditioner = conditioners.ShapeConditioner(\n",
-    "    letter_point_cloud,\n",
-    "    chroma.backbone_network.noise_schedule,\n",
-    "    autoscale_num_residues=length,\n",
-    ").to(device)\n",
-    "\n",
-    "shaped_protein, trajectories = chroma.sample(\n",
-    "    chain_lengths=[length], conditioner=conditioner, full_output=True\n",
-    ")\n",
-    "\n",
-    "render(shaped_protein, trajectories, output=\"shaped_protein.cif\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {
-    "id": "M-5X_saooA6J"
-   },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Using cached data from /tmp/chroma_weights/3262b44702040b1dcfccd71ebbcf451d/weights.pt\n",
-      "Loaded from cache\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "9264434606184578a8bda0e8dcd33c0b",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Integrating SDE:   0%|          | 0/500 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "80717e8b2395434d8af0d2667bf9005a",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Potts Sampling:   0%|          | 0/500 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "743e20adbb814b01a94d92498c3f9a1f",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Sequential decoding:   0%|          | 0/130 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "46c25647fdc947128e4df00f6c343fd0",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "NGLWidget()"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Protein: system\n",
-      "> Chain A (130 residues)\n",
-      "MIPPFIPKKLLDELKKLAEKYGATIEFMPFEEAAQKHLSPEALARPIRDLLKELEDKINEAINEFYSLLPKDIEVKPVTLSIVFPEMPEEELKRFIDEIKTLINKVIDEYKSLPKEERQKEALELIKELF\n",
-      "\n",
-      "\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "2e40f62022b143ba83ee29b13831ceb7",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Button(description='Download sample', style=ButtonStyle())"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "542ef56229e8423dbb0069bddcb2fccd",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Button(description='Download trajectory', style=ButtonStyle())"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "# @title Fold <a name=\"proclass-chain\"></a> {display-mode: \"form\"}\n",
-    "\n",
-    "# @markdown Input a [CATH number](https://cathdb.info/browse) to get chain-level conditioning, e.g. `3.40.50` for a Rossmann fold or `2` for mainly beta.\n",
-    "\n",
-    "CATH = \"3.40.50\"  # @param {type:\"string\"}\n",
-    "length = 130  # @param {type:\"slider\", min:50, max:250, step:10}\n",
-    "\n",
-    "proclass_model = graph_classifier.load_model(\"named:public\", device=device)\n",
-    "conditioner = conditioners.ProClassConditioner(\"cath\", CATH, model=proclass_model)\n",
-    "cath_conditioned_protein, trajectories = chroma.sample(\n",
-    "    conditioner=conditioner, chain_lengths=[length], full_output=True\n",
-    ")\n",
-    "render(cath_conditioned_protein, trajectories, output=\"cath_conditioned_protein.cif\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {
-    "id": "A2012-PnoTHf"
-   },
-   "outputs": [],
-   "source": [
-    "# @title Secondary structure <a name=\"proclass-residue\"></a> {display-mode: \"form\"}\n",
-    "\n",
-    "# @markdown Enter a string to specify residue-level secondary structure conditioning: H = helix, E = strand, T = turn.\n",
-    "\n",
-    "SS = \"HHHHHHHTTTHHHHHHHTTTEEEEEETTTEEEEEEEETTTTHHHHHHHH\"  # @param {type:\"string\"}\n",
-    "\n",
-    "proclass_model = graph_classifier.load_model(\"named:public\", device=device)\n",
-    "conditioner = conditioners.ProClassConditioner(\n",
-    "    \"secondary_structure\", SS, max_norm=None, model=proclass_model\n",
-    ")\n",
-    "ss_conditioned_protein, trajectories = chroma.sample(\n",
-    "    steps=500, conditioner=conditioner, chain_lengths=[len(SS)], full_output=True\n",
-    ")\n",
-    "render(ss_conditioned_protein, trajectories, output=\"ss_conditioned_protein.cif\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 5,
-   "metadata": {
-    "id": "ix41mhyEbLTF"
-   },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Using cached data from /tmp/chroma_weights/87243729397de5f93afc4f392662d1b5/weights.pt\n"
-     ]
-    },
-    {
-     "ename": "OSError",
-     "evalue": "We couldn't connect to 'https://huggingface.co' to load this file, couldn't find it in the cached files and it looks like EleutherAI/gpt-neo-125m is not the path to a directory containing a file named config.json.\nCheckout your internet connection or see how to run the library in offline mode at 'https://huggingface.co/docs/transformers/installation#offline-mode'.",
-     "output_type": "error",
-     "traceback": [
-      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-      "\u001b[0;31mOSError\u001b[0m                                   Traceback (most recent call last)",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/connection.py:174\u001b[0m, in \u001b[0;36mHTTPConnection._new_conn\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m    173\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[0;32m--> 174\u001b[0m     conn \u001b[38;5;241m=\u001b[39m \u001b[43mconnection\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcreate_connection\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    175\u001b[0m \u001b[43m        \u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_dns_host\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mport\u001b[49m\u001b[43m)\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mtimeout\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mextra_kw\u001b[49m\n\u001b[1;32m    176\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    178\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m SocketTimeout:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/util/connection.py:95\u001b[0m, in \u001b[0;36mcreate_connection\u001b[0;34m(address, timeout, source_address, socket_options)\u001b[0m\n\u001b[1;32m     94\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m err \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m:\n\u001b[0;32m---> 95\u001b[0m     \u001b[38;5;28;01mraise\u001b[39;00m err\n\u001b[1;32m     97\u001b[0m \u001b[38;5;28;01mraise\u001b[39;00m socket\u001b[38;5;241m.\u001b[39merror(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mgetaddrinfo returns an empty list\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/util/connection.py:85\u001b[0m, in \u001b[0;36mcreate_connection\u001b[0;34m(address, timeout, source_address, socket_options)\u001b[0m\n\u001b[1;32m     84\u001b[0m     sock\u001b[38;5;241m.\u001b[39mbind(source_address)\n\u001b[0;32m---> 85\u001b[0m \u001b[43msock\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mconnect\u001b[49m\u001b[43m(\u001b[49m\u001b[43msa\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m     86\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m sock\n",
-      "\u001b[0;31mOSError\u001b[0m: [Errno 101] Network is unreachable",
-      "\nDuring handling of the above exception, another exception occurred:\n",
-      "\u001b[0;31mNewConnectionError\u001b[0m                        Traceback (most recent call last)",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/connectionpool.py:715\u001b[0m, in \u001b[0;36mHTTPConnectionPool.urlopen\u001b[0;34m(self, method, url, body, headers, retries, redirect, assert_same_host, timeout, pool_timeout, release_conn, chunked, body_pos, **response_kw)\u001b[0m\n\u001b[1;32m    714\u001b[0m \u001b[38;5;66;03m# Make the request on the httplib connection object.\u001b[39;00m\n\u001b[0;32m--> 715\u001b[0m httplib_response \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_make_request\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    716\u001b[0m \u001b[43m    \u001b[49m\u001b[43mconn\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    717\u001b[0m \u001b[43m    \u001b[49m\u001b[43mmethod\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    718\u001b[0m \u001b[43m    \u001b[49m\u001b[43murl\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    719\u001b[0m \u001b[43m    \u001b[49m\u001b[43mtimeout\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtimeout_obj\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    720\u001b[0m \u001b[43m    \u001b[49m\u001b[43mbody\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mbody\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    721\u001b[0m \u001b[43m    \u001b[49m\u001b[43mheaders\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mheaders\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    722\u001b[0m \u001b[43m    \u001b[49m\u001b[43mchunked\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mchunked\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    723\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    725\u001b[0m \u001b[38;5;66;03m# If we're going to release the connection in ``finally:``, then\u001b[39;00m\n\u001b[1;32m    726\u001b[0m \u001b[38;5;66;03m# the response doesn't need to know about the connection. Otherwise\u001b[39;00m\n\u001b[1;32m    727\u001b[0m \u001b[38;5;66;03m# it will also try to release it and we'll have a double-release\u001b[39;00m\n\u001b[1;32m    728\u001b[0m \u001b[38;5;66;03m# mess.\u001b[39;00m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/connectionpool.py:404\u001b[0m, in \u001b[0;36mHTTPConnectionPool._make_request\u001b[0;34m(self, conn, method, url, timeout, chunked, **httplib_request_kw)\u001b[0m\n\u001b[1;32m    403\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[0;32m--> 404\u001b[0m     \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_validate_conn\u001b[49m\u001b[43m(\u001b[49m\u001b[43mconn\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    405\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m (SocketTimeout, BaseSSLError) \u001b[38;5;28;01mas\u001b[39;00m e:\n\u001b[1;32m    406\u001b[0m     \u001b[38;5;66;03m# Py2 raises this as a BaseSSLError, Py3 raises it as socket timeout.\u001b[39;00m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/connectionpool.py:1058\u001b[0m, in \u001b[0;36mHTTPSConnectionPool._validate_conn\u001b[0;34m(self, conn)\u001b[0m\n\u001b[1;32m   1057\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28mgetattr\u001b[39m(conn, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124msock\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;28;01mNone\u001b[39;00m):  \u001b[38;5;66;03m# AppEngine might not have  `.sock`\u001b[39;00m\n\u001b[0;32m-> 1058\u001b[0m     \u001b[43mconn\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mconnect\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1060\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m conn\u001b[38;5;241m.\u001b[39mis_verified:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/connection.py:363\u001b[0m, in \u001b[0;36mHTTPSConnection.connect\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m    361\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mconnect\u001b[39m(\u001b[38;5;28mself\u001b[39m):\n\u001b[1;32m    362\u001b[0m     \u001b[38;5;66;03m# Add certificate verification\u001b[39;00m\n\u001b[0;32m--> 363\u001b[0m     \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39msock \u001b[38;5;241m=\u001b[39m conn \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_new_conn\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    364\u001b[0m     hostname \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mhost\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/connection.py:186\u001b[0m, in \u001b[0;36mHTTPConnection._new_conn\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m    185\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m SocketError \u001b[38;5;28;01mas\u001b[39;00m e:\n\u001b[0;32m--> 186\u001b[0m     \u001b[38;5;28;01mraise\u001b[39;00m NewConnectionError(\n\u001b[1;32m    187\u001b[0m         \u001b[38;5;28mself\u001b[39m, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mFailed to establish a new connection: \u001b[39m\u001b[38;5;132;01m%s\u001b[39;00m\u001b[38;5;124m\"\u001b[39m \u001b[38;5;241m%\u001b[39m e\n\u001b[1;32m    188\u001b[0m     )\n\u001b[1;32m    190\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m conn\n",
-      "\u001b[0;31mNewConnectionError\u001b[0m: <urllib3.connection.HTTPSConnection object at 0x7f7d6e2d6c70>: Failed to establish a new connection: [Errno 101] Network is unreachable",
-      "\nDuring handling of the above exception, another exception occurred:\n",
-      "\u001b[0;31mMaxRetryError\u001b[0m                             Traceback (most recent call last)",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/requests/adapters.py:486\u001b[0m, in \u001b[0;36mHTTPAdapter.send\u001b[0;34m(self, request, stream, timeout, verify, cert, proxies)\u001b[0m\n\u001b[1;32m    485\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[0;32m--> 486\u001b[0m     resp \u001b[38;5;241m=\u001b[39m \u001b[43mconn\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43murlopen\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    487\u001b[0m \u001b[43m        \u001b[49m\u001b[43mmethod\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mrequest\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmethod\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    488\u001b[0m \u001b[43m        \u001b[49m\u001b[43murl\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43murl\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    489\u001b[0m \u001b[43m        \u001b[49m\u001b[43mbody\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mrequest\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbody\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    490\u001b[0m \u001b[43m        \u001b[49m\u001b[43mheaders\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mrequest\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mheaders\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    491\u001b[0m \u001b[43m        \u001b[49m\u001b[43mredirect\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m    492\u001b[0m \u001b[43m        \u001b[49m\u001b[43massert_same_host\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m    493\u001b[0m \u001b[43m        \u001b[49m\u001b[43mpreload_content\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m    494\u001b[0m \u001b[43m        \u001b[49m\u001b[43mdecode_content\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m    495\u001b[0m \u001b[43m        \u001b[49m\u001b[43mretries\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmax_retries\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    496\u001b[0m \u001b[43m        \u001b[49m\u001b[43mtimeout\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtimeout\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    497\u001b[0m \u001b[43m        \u001b[49m\u001b[43mchunked\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mchunked\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    498\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    500\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m (ProtocolError, \u001b[38;5;167;01mOSError\u001b[39;00m) \u001b[38;5;28;01mas\u001b[39;00m err:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/connectionpool.py:799\u001b[0m, in \u001b[0;36mHTTPConnectionPool.urlopen\u001b[0;34m(self, method, url, body, headers, retries, redirect, assert_same_host, timeout, pool_timeout, release_conn, chunked, body_pos, **response_kw)\u001b[0m\n\u001b[1;32m    797\u001b[0m     e \u001b[38;5;241m=\u001b[39m ProtocolError(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mConnection aborted.\u001b[39m\u001b[38;5;124m\"\u001b[39m, e)\n\u001b[0;32m--> 799\u001b[0m retries \u001b[38;5;241m=\u001b[39m \u001b[43mretries\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mincrement\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    800\u001b[0m \u001b[43m    \u001b[49m\u001b[43mmethod\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43murl\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43merror\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43me\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43m_pool\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43m_stacktrace\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43msys\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mexc_info\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\u001b[43m[\u001b[49m\u001b[38;5;241;43m2\u001b[39;49m\u001b[43m]\u001b[49m\n\u001b[1;32m    801\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    802\u001b[0m retries\u001b[38;5;241m.\u001b[39msleep()\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/urllib3/util/retry.py:592\u001b[0m, in \u001b[0;36mRetry.increment\u001b[0;34m(self, method, url, response, error, _pool, _stacktrace)\u001b[0m\n\u001b[1;32m    591\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m new_retry\u001b[38;5;241m.\u001b[39mis_exhausted():\n\u001b[0;32m--> 592\u001b[0m     \u001b[38;5;28;01mraise\u001b[39;00m MaxRetryError(_pool, url, error \u001b[38;5;129;01mor\u001b[39;00m ResponseError(cause))\n\u001b[1;32m    594\u001b[0m log\u001b[38;5;241m.\u001b[39mdebug(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mIncremented Retry for (url=\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;132;01m%s\u001b[39;00m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m): \u001b[39m\u001b[38;5;132;01m%r\u001b[39;00m\u001b[38;5;124m\"\u001b[39m, url, new_retry)\n",
-      "\u001b[0;31mMaxRetryError\u001b[0m: HTTPSConnectionPool(host='huggingface.co', port=443): Max retries exceeded with url: /EleutherAI/gpt-neo-125m/resolve/main/config.json (Caused by NewConnectionError('<urllib3.connection.HTTPSConnection object at 0x7f7d6e2d6c70>: Failed to establish a new connection: [Errno 101] Network is unreachable'))",
-      "\nDuring handling of the above exception, another exception occurred:\n",
-      "\u001b[0;31mConnectionError\u001b[0m                           Traceback (most recent call last)",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/huggingface_hub/file_download.py:1238\u001b[0m, in \u001b[0;36mhf_hub_download\u001b[0;34m(repo_id, filename, subfolder, repo_type, revision, library_name, library_version, cache_dir, local_dir, local_dir_use_symlinks, user_agent, force_download, force_filename, proxies, etag_timeout, resume_download, token, local_files_only, legacy_cache_layout, endpoint)\u001b[0m\n\u001b[1;32m   1237\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[0;32m-> 1238\u001b[0m     metadata \u001b[38;5;241m=\u001b[39m \u001b[43mget_hf_file_metadata\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m   1239\u001b[0m \u001b[43m        \u001b[49m\u001b[43murl\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43murl\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1240\u001b[0m \u001b[43m        \u001b[49m\u001b[43mtoken\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtoken\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1241\u001b[0m \u001b[43m        \u001b[49m\u001b[43mproxies\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mproxies\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1242\u001b[0m \u001b[43m        \u001b[49m\u001b[43mtimeout\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43metag_timeout\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1243\u001b[0m \u001b[43m        \u001b[49m\u001b[43mlibrary_name\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mlibrary_name\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1244\u001b[0m \u001b[43m        \u001b[49m\u001b[43mlibrary_version\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mlibrary_version\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1245\u001b[0m \u001b[43m        \u001b[49m\u001b[43muser_agent\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43muser_agent\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1246\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1247\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m EntryNotFoundError \u001b[38;5;28;01mas\u001b[39;00m http_error:\n\u001b[1;32m   1248\u001b[0m     \u001b[38;5;66;03m# Cache the non-existence of the file and raise\u001b[39;00m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/huggingface_hub/utils/_validators.py:118\u001b[0m, in \u001b[0;36mvalidate_hf_hub_args.<locals>._inner_fn\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m    116\u001b[0m     kwargs \u001b[38;5;241m=\u001b[39m smoothly_deprecate_use_auth_token(fn_name\u001b[38;5;241m=\u001b[39mfn\u001b[38;5;241m.\u001b[39m\u001b[38;5;18m__name__\u001b[39m, has_token\u001b[38;5;241m=\u001b[39mhas_token, kwargs\u001b[38;5;241m=\u001b[39mkwargs)\n\u001b[0;32m--> 118\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfn\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/huggingface_hub/file_download.py:1631\u001b[0m, in \u001b[0;36mget_hf_file_metadata\u001b[0;34m(url, token, proxies, timeout, library_name, library_version, user_agent)\u001b[0m\n\u001b[1;32m   1630\u001b[0m \u001b[38;5;66;03m# Retrieve metadata\u001b[39;00m\n\u001b[0;32m-> 1631\u001b[0m r \u001b[38;5;241m=\u001b[39m \u001b[43m_request_wrapper\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m   1632\u001b[0m \u001b[43m    \u001b[49m\u001b[43mmethod\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mHEAD\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1633\u001b[0m \u001b[43m    \u001b[49m\u001b[43murl\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43murl\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1634\u001b[0m \u001b[43m    \u001b[49m\u001b[43mheaders\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mheaders\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1635\u001b[0m \u001b[43m    \u001b[49m\u001b[43mallow_redirects\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m   1636\u001b[0m \u001b[43m    \u001b[49m\u001b[43mfollow_relative_redirects\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mTrue\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m   1637\u001b[0m \u001b[43m    \u001b[49m\u001b[43mproxies\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mproxies\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1638\u001b[0m \u001b[43m    \u001b[49m\u001b[43mtimeout\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtimeout\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m   1639\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m   1640\u001b[0m hf_raise_for_status(r)\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/huggingface_hub/file_download.py:385\u001b[0m, in \u001b[0;36m_request_wrapper\u001b[0;34m(method, url, follow_relative_redirects, **params)\u001b[0m\n\u001b[1;32m    384\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m follow_relative_redirects:\n\u001b[0;32m--> 385\u001b[0m     response \u001b[38;5;241m=\u001b[39m \u001b[43m_request_wrapper\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    386\u001b[0m \u001b[43m        \u001b[49m\u001b[43mmethod\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mmethod\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    387\u001b[0m \u001b[43m        \u001b[49m\u001b[43murl\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43murl\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    388\u001b[0m \u001b[43m        \u001b[49m\u001b[43mfollow_relative_redirects\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m    389\u001b[0m \u001b[43m        \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mparams\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    390\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    392\u001b[0m     \u001b[38;5;66;03m# If redirection, we redirect only relative paths.\u001b[39;00m\n\u001b[1;32m    393\u001b[0m     \u001b[38;5;66;03m# This is useful in case of a renamed repository.\u001b[39;00m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/huggingface_hub/file_download.py:408\u001b[0m, in \u001b[0;36m_request_wrapper\u001b[0;34m(method, url, follow_relative_redirects, **params)\u001b[0m\n\u001b[1;32m    407\u001b[0m \u001b[38;5;66;03m# Perform request and return if status_code is not in the retry list.\u001b[39;00m\n\u001b[0;32m--> 408\u001b[0m response \u001b[38;5;241m=\u001b[39m \u001b[43mget_session\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mrequest\u001b[49m\u001b[43m(\u001b[49m\u001b[43mmethod\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mmethod\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43murl\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43murl\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mparams\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    409\u001b[0m hf_raise_for_status(response)\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/requests/sessions.py:589\u001b[0m, in \u001b[0;36mSession.request\u001b[0;34m(self, method, url, params, data, headers, cookies, files, auth, timeout, allow_redirects, proxies, hooks, stream, verify, cert, json)\u001b[0m\n\u001b[1;32m    588\u001b[0m send_kwargs\u001b[38;5;241m.\u001b[39mupdate(settings)\n\u001b[0;32m--> 589\u001b[0m resp \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msend\u001b[49m\u001b[43m(\u001b[49m\u001b[43mprep\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43msend_kwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    591\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m resp\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/requests/sessions.py:703\u001b[0m, in \u001b[0;36mSession.send\u001b[0;34m(self, request, **kwargs)\u001b[0m\n\u001b[1;32m    702\u001b[0m \u001b[38;5;66;03m# Send the request\u001b[39;00m\n\u001b[0;32m--> 703\u001b[0m r \u001b[38;5;241m=\u001b[39m \u001b[43madapter\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msend\u001b[49m\u001b[43m(\u001b[49m\u001b[43mrequest\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    705\u001b[0m \u001b[38;5;66;03m# Total elapsed time of the request (approximately)\u001b[39;00m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/huggingface_hub/utils/_http.py:67\u001b[0m, in \u001b[0;36mUniqueRequestIdAdapter.send\u001b[0;34m(self, request, *args, **kwargs)\u001b[0m\n\u001b[1;32m     66\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[0;32m---> 67\u001b[0m     \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43msuper\u001b[39;49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43msend\u001b[49m\u001b[43m(\u001b[49m\u001b[43mrequest\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m     68\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m requests\u001b[38;5;241m.\u001b[39mRequestException \u001b[38;5;28;01mas\u001b[39;00m e:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/requests/adapters.py:519\u001b[0m, in \u001b[0;36mHTTPAdapter.send\u001b[0;34m(self, request, stream, timeout, verify, cert, proxies)\u001b[0m\n\u001b[1;32m    517\u001b[0m         \u001b[38;5;28;01mraise\u001b[39;00m SSLError(e, request\u001b[38;5;241m=\u001b[39mrequest)\n\u001b[0;32m--> 519\u001b[0m     \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mConnectionError\u001b[39;00m(e, request\u001b[38;5;241m=\u001b[39mrequest)\n\u001b[1;32m    521\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m ClosedPoolError \u001b[38;5;28;01mas\u001b[39;00m e:\n",
-      "\u001b[0;31mConnectionError\u001b[0m: (MaxRetryError(\"HTTPSConnectionPool(host='huggingface.co', port=443): Max retries exceeded with url: /EleutherAI/gpt-neo-125m/resolve/main/config.json (Caused by NewConnectionError('<urllib3.connection.HTTPSConnection object at 0x7f7d6e2d6c70>: Failed to establish a new connection: [Errno 101] Network is unreachable'))\"), '(Request ID: ecd4f2fa-3a5d-4a13-b144-91df9440bd15)')",
-      "\nThe above exception was the direct cause of the following exception:\n",
-      "\u001b[0;31mLocalEntryNotFoundError\u001b[0m                   Traceback (most recent call last)",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/transformers/utils/hub.py:409\u001b[0m, in \u001b[0;36mcached_file\u001b[0;34m(path_or_repo_id, filename, cache_dir, force_download, resume_download, proxies, use_auth_token, revision, local_files_only, subfolder, user_agent, _raise_exceptions_for_missing_entries, _raise_exceptions_for_connection_errors, _commit_hash)\u001b[0m\n\u001b[1;32m    407\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[1;32m    408\u001b[0m     \u001b[38;5;66;03m# Load from URL or cache if already cached\u001b[39;00m\n\u001b[0;32m--> 409\u001b[0m     resolved_file \u001b[38;5;241m=\u001b[39m \u001b[43mhf_hub_download\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    410\u001b[0m \u001b[43m        \u001b[49m\u001b[43mpath_or_repo_id\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    411\u001b[0m \u001b[43m        \u001b[49m\u001b[43mfilename\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    412\u001b[0m \u001b[43m        \u001b[49m\u001b[43msubfolder\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mNone\u001b[39;49;00m\u001b[43m \u001b[49m\u001b[38;5;28;43;01mif\u001b[39;49;00m\u001b[43m \u001b[49m\u001b[38;5;28;43mlen\u001b[39;49m\u001b[43m(\u001b[49m\u001b[43msubfolder\u001b[49m\u001b[43m)\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m==\u001b[39;49m\u001b[43m \u001b[49m\u001b[38;5;241;43m0\u001b[39;49m\u001b[43m \u001b[49m\u001b[38;5;28;43;01melse\u001b[39;49;00m\u001b[43m \u001b[49m\u001b[43msubfolder\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    413\u001b[0m \u001b[43m        \u001b[49m\u001b[43mrevision\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mrevision\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    414\u001b[0m \u001b[43m        \u001b[49m\u001b[43mcache_dir\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mcache_dir\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    415\u001b[0m \u001b[43m        \u001b[49m\u001b[43muser_agent\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43muser_agent\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    416\u001b[0m \u001b[43m        \u001b[49m\u001b[43mforce_download\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mforce_download\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    417\u001b[0m \u001b[43m        \u001b[49m\u001b[43mproxies\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mproxies\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    418\u001b[0m \u001b[43m        \u001b[49m\u001b[43mresume_download\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mresume_download\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    419\u001b[0m \u001b[43m        \u001b[49m\u001b[43muse_auth_token\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43muse_auth_token\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    420\u001b[0m \u001b[43m        \u001b[49m\u001b[43mlocal_files_only\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mlocal_files_only\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    421\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    423\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m RepositoryNotFoundError:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/huggingface_hub/utils/_validators.py:118\u001b[0m, in \u001b[0;36mvalidate_hf_hub_args.<locals>._inner_fn\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m    116\u001b[0m     kwargs \u001b[38;5;241m=\u001b[39m smoothly_deprecate_use_auth_token(fn_name\u001b[38;5;241m=\u001b[39mfn\u001b[38;5;241m.\u001b[39m\u001b[38;5;18m__name__\u001b[39m, has_token\u001b[38;5;241m=\u001b[39mhas_token, kwargs\u001b[38;5;241m=\u001b[39mkwargs)\n\u001b[0;32m--> 118\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfn\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/huggingface_hub/file_download.py:1371\u001b[0m, in \u001b[0;36mhf_hub_download\u001b[0;34m(repo_id, filename, subfolder, repo_type, revision, library_name, library_version, cache_dir, local_dir, local_dir_use_symlinks, user_agent, force_download, force_filename, proxies, etag_timeout, resume_download, token, local_files_only, legacy_cache_layout, endpoint)\u001b[0m\n\u001b[1;32m   1369\u001b[0m     \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[1;32m   1370\u001b[0m         \u001b[38;5;66;03m# Otherwise: most likely a connection issue or Hub downtime => let's warn the user\u001b[39;00m\n\u001b[0;32m-> 1371\u001b[0m         \u001b[38;5;28;01mraise\u001b[39;00m LocalEntryNotFoundError(\n\u001b[1;32m   1372\u001b[0m             \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mAn error happened while trying to locate the file on the Hub and we cannot find the requested files\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m   1373\u001b[0m             \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m in the local cache. Please check your connection and try again or make sure your Internet connection\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m   1374\u001b[0m             \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m is on.\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m   1375\u001b[0m         ) \u001b[38;5;28;01mfrom\u001b[39;00m \u001b[38;5;21;01mhead_call_error\u001b[39;00m\n\u001b[1;32m   1377\u001b[0m \u001b[38;5;66;03m# From now on, etag and commit_hash are not None.\u001b[39;00m\n",
-      "\u001b[0;31mLocalEntryNotFoundError\u001b[0m: An error happened while trying to locate the file on the Hub and we cannot find the requested files in the local cache. Please check your connection and try again or make sure your Internet connection is on.",
-      "\nDuring handling of the above exception, another exception occurred:\n",
-      "\u001b[0;31mOSError\u001b[0m                                   Traceback (most recent call last)",
-      "Cell \u001b[0;32mIn[5], line 8\u001b[0m\n\u001b[1;32m      5\u001b[0m length \u001b[38;5;241m=\u001b[39m \u001b[38;5;241m110\u001b[39m  \u001b[38;5;66;03m# @param {type:\"slider\", min:50, max:250, step:10}\u001b[39;00m\n\u001b[1;32m      6\u001b[0m caption \u001b[38;5;241m=\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mCrystal structure of SH2 domain\u001b[39m\u001b[38;5;124m\"\u001b[39m  \u001b[38;5;66;03m# @param {type:\"string\"}\u001b[39;00m\n\u001b[0;32m----> 8\u001b[0m procap_model \u001b[38;5;241m=\u001b[39m \u001b[43mprocap\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mload_model\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mnamed:public\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mdevice\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mdevice\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m      9\u001b[0m conditioner \u001b[38;5;241m=\u001b[39m conditioners\u001b[38;5;241m.\u001b[39mProCapConditioner(caption, \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m, model\u001b[38;5;241m=\u001b[39mprocap_model)\n\u001b[1;32m     10\u001b[0m caption_conditioned_protein, trajectories \u001b[38;5;241m=\u001b[39m chroma\u001b[38;5;241m.\u001b[39msample(\n\u001b[1;32m     11\u001b[0m     steps\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m200\u001b[39m, chain_lengths\u001b[38;5;241m=\u001b[39m[length], conditioner\u001b[38;5;241m=\u001b[39mconditioner, full_output\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mTrue\u001b[39;00m\n\u001b[1;32m     12\u001b[0m )\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/procap.py:729\u001b[0m, in \u001b[0;36mload_model\u001b[0;34m(weight_file, device, strict, strict_unexpected)\u001b[0m\n\u001b[1;32m    704\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mload_model\u001b[39m(\n\u001b[1;32m    705\u001b[0m     weight_file: \u001b[38;5;28mstr\u001b[39m,\n\u001b[1;32m    706\u001b[0m     device: \u001b[38;5;28mstr\u001b[39m \u001b[38;5;241m=\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mcpu\u001b[39m\u001b[38;5;124m\"\u001b[39m,\n\u001b[1;32m    707\u001b[0m     strict: \u001b[38;5;28mbool\u001b[39m \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mFalse\u001b[39;00m,\n\u001b[1;32m    708\u001b[0m     strict_unexpected: \u001b[38;5;28mbool\u001b[39m \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mTrue\u001b[39;00m,\n\u001b[1;32m    709\u001b[0m ) \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m>\u001b[39m ProteinCaption:\n\u001b[1;32m    710\u001b[0m \u001b[38;5;250m    \u001b[39m\u001b[38;5;124;03m\"\"\"Loads a ProCap model.\u001b[39;00m\n\u001b[1;32m    711\u001b[0m \n\u001b[1;32m    712\u001b[0m \u001b[38;5;124;03m    Args:\u001b[39;00m\n\u001b[0;32m   (...)\u001b[0m\n\u001b[1;32m    727\u001b[0m \u001b[38;5;124;03m            with `model.eval()`.\u001b[39;00m\n\u001b[1;32m    728\u001b[0m \u001b[38;5;124;03m    \"\"\"\u001b[39;00m\n\u001b[0;32m--> 729\u001b[0m     \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mutility_load_model\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    730\u001b[0m \u001b[43m        \u001b[49m\u001b[43mweight_file\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    731\u001b[0m \u001b[43m        \u001b[49m\u001b[43mProteinCaption\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    732\u001b[0m \u001b[43m        \u001b[49m\u001b[43mdevice\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mdevice\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    733\u001b[0m \u001b[43m        \u001b[49m\u001b[43mstrict\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mstrict\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    734\u001b[0m \u001b[43m        \u001b[49m\u001b[43mstrict_unexpected\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mstrict_unexpected\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    735\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/utility/model.py:107\u001b[0m, in \u001b[0;36mload_model\u001b[0;34m(weights, model_class, device, strict, strict_unexpected, verbose)\u001b[0m\n\u001b[1;32m    105\u001b[0m \u001b[38;5;66;03m# load model weights\u001b[39;00m\n\u001b[1;32m    106\u001b[0m params \u001b[38;5;241m=\u001b[39m torch\u001b[38;5;241m.\u001b[39mload(weights, map_location\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mcpu\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m--> 107\u001b[0m model \u001b[38;5;241m=\u001b[39m \u001b[43mmodel_class\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mparams\u001b[49m\u001b[43m[\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43minit_kwargs\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m]\u001b[49m\u001b[43m)\u001b[49m\u001b[38;5;241m.\u001b[39mto(device)\n\u001b[1;32m    108\u001b[0m missing_keys, unexpected_keys \u001b[38;5;241m=\u001b[39m model\u001b[38;5;241m.\u001b[39mload_state_dict(\n\u001b[1;32m    109\u001b[0m     params[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mmodel_state_dict\u001b[39m\u001b[38;5;124m\"\u001b[39m], strict\u001b[38;5;241m=\u001b[39mstrict\n\u001b[1;32m    110\u001b[0m )\n\u001b[1;32m    111\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m strict_unexpected \u001b[38;5;129;01mand\u001b[39;00m \u001b[38;5;28mlen\u001b[39m(unexpected_keys) \u001b[38;5;241m>\u001b[39m \u001b[38;5;241m0\u001b[39m:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/chroma/models/procap.py:198\u001b[0m, in \u001b[0;36mProteinCaption.__init__\u001b[0;34m(self, lm_id, gnn_dim_edges, context_size, context_per_chain, gnn_num_neighbors, gnn_num_layers, only_encode_caption_chain, gnn_embed_ratio, graph_criterion, node_mlp_layers, node_mlp_dim, noise_schedule, covariance_model, noise_complex_scaling, noiseless, normalize_context_embeddings, standardize_context_embeddings, time_feature_type, time_log_feature_scaling, use_transformer, classifier_checkpoint, direct_gnn, classifier_kwargs)\u001b[0m\n\u001b[1;32m    195\u001b[0m     \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mnormalize_context_embeddings \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mFalse\u001b[39;00m\n\u001b[1;32m    197\u001b[0m \u001b[38;5;66;03m# Use Pretrained Tokenizer From Hugging Face\u001b[39;00m\n\u001b[0;32m--> 198\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mtokenizer \u001b[38;5;241m=\u001b[39m \u001b[43mtransformers\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mAutoTokenizer\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mfrom_pretrained\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    199\u001b[0m \u001b[43m    \u001b[49m\u001b[43mlm_id\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    200\u001b[0m \u001b[43m    \u001b[49m\u001b[43madditional_special_tokens\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m[\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m<|pdb|>\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m<|unconditioned|>\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m]\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    201\u001b[0m \u001b[43m    \u001b[49m\u001b[43meos_token\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m<|endoftext|>\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\n\u001b[1;32m    202\u001b[0m \u001b[43m    \u001b[49m\u001b[43mpad_token\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m<|pad|>\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\n\u001b[1;32m    203\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    205\u001b[0m \u001b[38;5;66;03m# Use Pretrained Language Model From Hugging Face\u001b[39;00m\n\u001b[1;32m    206\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mlanguage_model \u001b[38;5;241m=\u001b[39m transformers\u001b[38;5;241m.\u001b[39mAutoModelForCausalLM\u001b[38;5;241m.\u001b[39mfrom_pretrained(lm_id)\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/transformers/models/auto/tokenization_auto.py:575\u001b[0m, in \u001b[0;36mAutoTokenizer.from_pretrained\u001b[0;34m(cls, pretrained_model_name_or_path, *inputs, **kwargs)\u001b[0m\n\u001b[1;32m    573\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m config_tokenizer_class \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m:\n\u001b[1;32m    574\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28misinstance\u001b[39m(config, PretrainedConfig):\n\u001b[0;32m--> 575\u001b[0m         config \u001b[38;5;241m=\u001b[39m \u001b[43mAutoConfig\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mfrom_pretrained\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    576\u001b[0m \u001b[43m            \u001b[49m\u001b[43mpretrained_model_name_or_path\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mtrust_remote_code\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtrust_remote_code\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\n\u001b[1;32m    577\u001b[0m \u001b[43m        \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    578\u001b[0m     config_tokenizer_class \u001b[38;5;241m=\u001b[39m config\u001b[38;5;241m.\u001b[39mtokenizer_class\n\u001b[1;32m    579\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mhasattr\u001b[39m(config, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mauto_map\u001b[39m\u001b[38;5;124m\"\u001b[39m) \u001b[38;5;129;01mand\u001b[39;00m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mAutoTokenizer\u001b[39m\u001b[38;5;124m\"\u001b[39m \u001b[38;5;129;01min\u001b[39;00m config\u001b[38;5;241m.\u001b[39mauto_map:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/transformers/models/auto/configuration_auto.py:776\u001b[0m, in \u001b[0;36mAutoConfig.from_pretrained\u001b[0;34m(cls, pretrained_model_name_or_path, **kwargs)\u001b[0m\n\u001b[1;32m    774\u001b[0m kwargs[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mname_or_path\u001b[39m\u001b[38;5;124m\"\u001b[39m] \u001b[38;5;241m=\u001b[39m pretrained_model_name_or_path\n\u001b[1;32m    775\u001b[0m trust_remote_code \u001b[38;5;241m=\u001b[39m kwargs\u001b[38;5;241m.\u001b[39mpop(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mtrust_remote_code\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;28;01mFalse\u001b[39;00m)\n\u001b[0;32m--> 776\u001b[0m config_dict, unused_kwargs \u001b[38;5;241m=\u001b[39m \u001b[43mPretrainedConfig\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mget_config_dict\u001b[49m\u001b[43m(\u001b[49m\u001b[43mpretrained_model_name_or_path\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    777\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mauto_map\u001b[39m\u001b[38;5;124m\"\u001b[39m \u001b[38;5;129;01min\u001b[39;00m config_dict \u001b[38;5;129;01mand\u001b[39;00m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mAutoConfig\u001b[39m\u001b[38;5;124m\"\u001b[39m \u001b[38;5;129;01min\u001b[39;00m config_dict[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mauto_map\u001b[39m\u001b[38;5;124m\"\u001b[39m]:\n\u001b[1;32m    778\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m trust_remote_code:\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/transformers/configuration_utils.py:559\u001b[0m, in \u001b[0;36mPretrainedConfig.get_config_dict\u001b[0;34m(cls, pretrained_model_name_or_path, **kwargs)\u001b[0m\n\u001b[1;32m    557\u001b[0m original_kwargs \u001b[38;5;241m=\u001b[39m copy\u001b[38;5;241m.\u001b[39mdeepcopy(kwargs)\n\u001b[1;32m    558\u001b[0m \u001b[38;5;66;03m# Get config dict associated with the base config file\u001b[39;00m\n\u001b[0;32m--> 559\u001b[0m config_dict, kwargs \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mcls\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_get_config_dict\u001b[49m\u001b[43m(\u001b[49m\u001b[43mpretrained_model_name_or_path\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    560\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m_commit_hash\u001b[39m\u001b[38;5;124m\"\u001b[39m \u001b[38;5;129;01min\u001b[39;00m config_dict:\n\u001b[1;32m    561\u001b[0m     original_kwargs[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m_commit_hash\u001b[39m\u001b[38;5;124m\"\u001b[39m] \u001b[38;5;241m=\u001b[39m config_dict[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m_commit_hash\u001b[39m\u001b[38;5;124m\"\u001b[39m]\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/transformers/configuration_utils.py:614\u001b[0m, in \u001b[0;36mPretrainedConfig._get_config_dict\u001b[0;34m(cls, pretrained_model_name_or_path, **kwargs)\u001b[0m\n\u001b[1;32m    610\u001b[0m configuration_file \u001b[38;5;241m=\u001b[39m kwargs\u001b[38;5;241m.\u001b[39mpop(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m_configuration_file\u001b[39m\u001b[38;5;124m\"\u001b[39m, CONFIG_NAME)\n\u001b[1;32m    612\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[1;32m    613\u001b[0m     \u001b[38;5;66;03m# Load from local folder or from cache or download from model Hub and cache\u001b[39;00m\n\u001b[0;32m--> 614\u001b[0m     resolved_config_file \u001b[38;5;241m=\u001b[39m \u001b[43mcached_file\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    615\u001b[0m \u001b[43m        \u001b[49m\u001b[43mpretrained_model_name_or_path\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    616\u001b[0m \u001b[43m        \u001b[49m\u001b[43mconfiguration_file\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    617\u001b[0m \u001b[43m        \u001b[49m\u001b[43mcache_dir\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mcache_dir\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    618\u001b[0m \u001b[43m        \u001b[49m\u001b[43mforce_download\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mforce_download\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    619\u001b[0m \u001b[43m        \u001b[49m\u001b[43mproxies\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mproxies\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    620\u001b[0m \u001b[43m        \u001b[49m\u001b[43mresume_download\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mresume_download\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    621\u001b[0m \u001b[43m        \u001b[49m\u001b[43mlocal_files_only\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mlocal_files_only\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    622\u001b[0m \u001b[43m        \u001b[49m\u001b[43muse_auth_token\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43muse_auth_token\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    623\u001b[0m \u001b[43m        \u001b[49m\u001b[43muser_agent\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43muser_agent\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    624\u001b[0m \u001b[43m        \u001b[49m\u001b[43mrevision\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mrevision\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    625\u001b[0m \u001b[43m        \u001b[49m\u001b[43msubfolder\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43msubfolder\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    626\u001b[0m \u001b[43m        \u001b[49m\u001b[43m_commit_hash\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mcommit_hash\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    627\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    628\u001b[0m     commit_hash \u001b[38;5;241m=\u001b[39m extract_commit_hash(resolved_config_file, commit_hash)\n\u001b[1;32m    629\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m \u001b[38;5;167;01mEnvironmentError\u001b[39;00m:\n\u001b[1;32m    630\u001b[0m     \u001b[38;5;66;03m# Raise any environment error raise by `cached_file`. It will have a helpful error message adapted to\u001b[39;00m\n\u001b[1;32m    631\u001b[0m     \u001b[38;5;66;03m# the original exception.\u001b[39;00m\n",
-      "File \u001b[0;32m~/anaconda3/envs/mlfold/lib/python3.8/site-packages/transformers/utils/hub.py:443\u001b[0m, in \u001b[0;36mcached_file\u001b[0;34m(path_or_repo_id, filename, cache_dir, force_download, resume_download, proxies, use_auth_token, revision, local_files_only, subfolder, user_agent, _raise_exceptions_for_missing_entries, _raise_exceptions_for_connection_errors, _commit_hash)\u001b[0m\n\u001b[1;32m    441\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m _raise_exceptions_for_missing_entries \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m _raise_exceptions_for_connection_errors:\n\u001b[1;32m    442\u001b[0m         \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m\n\u001b[0;32m--> 443\u001b[0m     \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mEnvironmentError\u001b[39;00m(\n\u001b[1;32m    444\u001b[0m         \u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mWe couldn\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mt connect to \u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;132;01m{\u001b[39;00mHUGGINGFACE_CO_RESOLVE_ENDPOINT\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m to load this file, couldn\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mt find it in the\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m    445\u001b[0m         \u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m cached files and it looks like \u001b[39m\u001b[38;5;132;01m{\u001b[39;00mpath_or_repo_id\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m is not the path to a directory containing a file named\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m    446\u001b[0m         \u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m \u001b[39m\u001b[38;5;132;01m{\u001b[39;00mfull_filename\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m.\u001b[39m\u001b[38;5;130;01m\\n\u001b[39;00m\u001b[38;5;124mCheckout your internet connection or see how to run the library in offline mode at\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m    447\u001b[0m         \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m \u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mhttps://huggingface.co/docs/transformers/installation#offline-mode\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m.\u001b[39m\u001b[38;5;124m\"\u001b[39m\n\u001b[1;32m    448\u001b[0m     )\n\u001b[1;32m    449\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m EntryNotFoundError:\n\u001b[1;32m    450\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m _raise_exceptions_for_missing_entries:\n",
-      "\u001b[0;31mOSError\u001b[0m: We couldn't connect to 'https://huggingface.co' to load this file, couldn't find it in the cached files and it looks like EleutherAI/gpt-neo-125m is not the path to a directory containing a file named config.json.\nCheckout your internet connection or see how to run the library in offline mode at 'https://huggingface.co/docs/transformers/installation#offline-mode'."
-     ]
-    }
-   ],
-   "source": [
-    "# @title Natural text <a name=\"procap\"></a> {display-mode: \"form\"}\n",
-    "\n",
-    "# @markdown ProCap uses natural language captions to condition samples.\n",
-    "\n",
-    "length = 110  # @param {type:\"slider\", min:50, max:250, step:10}\n",
-    "caption = \"Crystal structure of SH2 domain\"  # @param {type:\"string\"}\n",
-    "\n",
-    "procap_model = procap.load_model(\"named:public\", device=device)\n",
-    "conditioner = conditioners.ProCapConditioner(caption, -1, model=procap_model)\n",
-    "caption_conditioned_protein, trajectories = chroma.sample(\n",
-    "    steps=200, chain_lengths=[length], conditioner=conditioner, full_output=True\n",
-    ")\n",
-    "render(\n",
-    "    caption_conditioned_protein, trajectories, output=\"caption_conditioned_protein.cif\"\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": []
-  }
- ],
- "metadata": {
-  "accelerator": "GPU",
-  "colab": {
-   "gpuType": "T4",
-   "provenance": [],
-   "toc_visible": true
-  },
-  "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.8.0"
-  }
- },
- "nbformat": 4,
- "nbformat_minor": 4
-}

chroma/notebooks/cath_conditioned_protein.cif

@@ -1,1245 +0,0 @@
-data_GNR8
-#
-_entry.id   system
-#
-loop_
-_entity.id 
-_entity.type 
-_entity.pdbx_description 
-_entity.pdbx_number_of_molecules 
-1 polymer 'chain A' 1
-#
-loop_
-_entity_poly_seq.entity_id 
-_entity_poly_seq.num 
-_entity_poly_seq.mon_id 
-_entity_poly_seq.hetero 
-1 1 MET n
-1 2 ILE n
-1 3 PRO n
-1 4 PRO n
-1 5 PHE n
-1 6 ILE n
-1 7 PRO n
-1 8 LYS n
-1 9 LYS n
-1 10 LEU n
-1 11 LEU n
-1 12 ASP n
-1 13 GLU n
-1 14 LEU n
-1 15 LYS n
-1 16 LYS n
-1 17 LEU n
-1 18 ALA n
-1 19 GLU n
-1 20 LYS n
-1 21 TYR n
-1 22 GLY n
-1 23 ALA n
-1 24 THR n
-1 25 ILE n
-1 26 GLU n
-1 27 PHE n
-1 28 MET n
-1 29 PRO n
-1 30 PHE n
-1 31 GLU n
-1 32 GLU n
-1 33 ALA n
-1 34 ALA n
-1 35 GLN n
-1 36 LYS n
-1 37 HIS n
-1 38 LEU n
-1 39 SER n
-1 40 PRO n
-1 41 GLU n
-1 42 ALA n
-1 43 LEU n
-1 44 ALA n
-1 45 ARG n
-1 46 PRO n
-1 47 ILE n
-1 48 ARG n
-1 49 ASP n
-1 50 LEU n
-1 51 LEU n
-1 52 LYS n
-1 53 GLU n
-1 54 LEU n
-1 55 GLU n
-1 56 ASP n
-1 57 LYS n
-1 58 ILE n
-1 59 ASN n
-1 60 GLU n
-1 61 ALA n
-1 62 ILE n
-1 63 ASN n
-1 64 GLU n
-1 65 PHE n
-1 66 TYR n
-1 67 SER n
-1 68 LEU n
-1 69 LEU n
-1 70 PRO n
-1 71 LYS n
-1 72 ASP n
-1 73 ILE n
-1 74 GLU n
-1 75 VAL n
-1 76 LYS n
-1 77 PRO n
-1 78 VAL n
-1 79 THR n
-1 80 LEU n
-1 81 SER n
-1 82 ILE n
-1 83 VAL n
-1 84 PHE n
-1 85 PRO n
-1 86 GLU n
-1 87 MET n
-1 88 PRO n
-1 89 GLU n
-1 90 GLU n
-1 91 GLU n
-1 92 LEU n
-1 93 LYS n
-1 94 ARG n
-1 95 PHE n
-1 96 ILE n
-1 97 ASP n
-1 98 GLU n
-1 99 ILE n
-1 100 LYS n
-1 101 THR n
-1 102 LEU n
-1 103 ILE n
-1 104 ASN n
-1 105 LYS n
-1 106 VAL n
-1 107 ILE n
-1 108 ASP n
-1 109 GLU n
-1 110 TYR n
-1 111 LYS n
-1 112 SER n
-1 113 LEU n
-1 114 PRO n
-1 115 LYS n
-1 116 GLU n
-1 117 GLU n
-1 118 ARG n
-1 119 GLN n
-1 120 LYS n
-1 121 GLU n
-1 122 ALA n
-1 123 LEU n
-1 124 GLU n
-1 125 LEU n
-1 126 ILE n
-1 127 LYS n
-1 128 GLU n
-1 129 LEU n
-1 130 PHE n
-#
-loop_
-_entity_poly.entity_id 
-_entity_poly.type 
-1 polypeptide(L)
-#
-loop_
-_atom_site.group_PDB 
-_atom_site.id 
-_atom_site.label_atom_id 
-_atom_site.label_alt_id 
-_atom_site.label_comp_id 
-_atom_site.label_asym_id 
-_atom_site.label_entity_id 
-_atom_site.label_seq_id 
-_atom_site.pdbx_PDB_ins_code 
-_atom_site.Cartn_x 
-_atom_site.Cartn_y 
-_atom_site.Cartn_z 
-_atom_site.occupancy 
-_atom_site.B_iso_or_equiv 
-_atom_site.pdbx_PDB_model_num 
-_atom_site.auth_seq_id 
-_atom_site.auth_asym_id 
-ATOM 1 N . MET A 1 1 . 12.1293 -11.7419 0.335409 1 0 0 1 A
-ATOM 2 CA . MET A 1 1 . 11.4865 -10.6633 -0.406504 1 0 0 1 A
-ATOM 3 C . MET A 1 1 . 10.0813 -10.4145 0.131101 1 0 0 1 A
-ATOM 4 O . MET A 1 1 . 9.26965 -11.3367 0.245137 1 0 0 1 A
-ATOM 5 CB . MET A 1 1 . 11.4728 -11.0236 -1.91397 1 0 0 1 A
-ATOM 6 CG . MET A 1 1 . 10.8288 -9.9743 -2.8556 1 0 0 1 A
-ATOM 7 SD . MET A 1 1 . 11.841 -8.46245 -2.90147 1 0 0 1 A
-ATOM 8 CE . MET A 1 1 . 13.2682 -9.10568 -3.82982 1 0 0 1 A
-ATOM 9 N . ILE A 1 2 . 9.80848 -9.15829 0.458908 1 0 0 2 A
-ATOM 10 CA . ILE A 1 2 . 8.5198 -8.75325 0.992091 1 0 0 2 A
-ATOM 11 C . ILE A 1 2 . 7.9027 -7.69093 0.09506 1 0 0 2 A
-ATOM 12 O . ILE A 1 2 . 8.60535 -6.85436 -0.482345 1 0 0 2 A
-ATOM 13 CB . ILE A 1 2 . 8.65446 -8.28948 2.48597 1 0 0 2 A
-ATOM 14 CG1 . ILE A 1 2 . 9.52878 -7.02245 2.66676 1 0 0 2 A
-ATOM 15 CG2 . ILE A 1 2 . 9.0615 -9.42282 3.46187 1 0 0 2 A
-ATOM 16 CD1 . ILE A 1 2 . 9.65007 -6.54538 4.12597 1 0 0 2 A
-ATOM 17 N . PRO A 1 3 . 6.57098 -7.73857 -0.00961377 1 0 0 3 A
-ATOM 18 CA . PRO A 1 3 . 5.85234 -6.79251 -0.842218 1 0 0 3 A
-ATOM 19 C . PRO A 1 3 . 5.76708 -5.42532 -0.163119 1 0 0 3 A
-ATOM 20 O . PRO A 1 3 . 6.01281 -5.27747 1.0421 1 0 0 3 A
-ATOM 21 CB . PRO A 1 3 . 4.46625 -7.44992 -0.976942 1 0 0 3 A
-ATOM 22 CG . PRO A 1 3 . 4.21485 -8.09061 0.389517 1 0 0 3 A
-ATOM 23 CD . PRO A 1 3 . 5.60158 -8.58732 0.803236 1 0 0 3 A
-ATOM 24 N . PRO A 1 4 . 5.40885 -4.41687 -0.961032 1 0 0 4 A
-ATOM 25 CA . PRO A 1 4 . 5.31183 -3.06649 -0.440803 1 0 0 4 A
-ATOM 26 C . PRO A 1 4 . 4.1791 -2.95512 0.573409 1 0 0 4 A
-ATOM 27 O . PRO A 1 4 . 3.13006 -3.59552 0.436847 1 0 0 4 A
-ATOM 28 CB . PRO A 1 4 . 5.02629 -2.23923 -1.70796 1 0 0 4 A
-ATOM 29 CG . PRO A 1 4 . 4.40743 -3.24115 -2.68472 1 0 0 4 A
-ATOM 30 CD . PRO A 1 4 . 5.22484 -4.51233 -2.44636 1 0 0 4 A
-ATOM 31 N . PHE A 1 5 . 4.39672 -2.12037 1.59369 1 0 0 5 A
-ATOM 32 CA . PHE A 1 5 . 3.40669 -1.93025 2.63946 1 0 0 5 A
-ATOM 33 C . PHE A 1 5 . 3.4959 -0.501772 3.15879 1 0 0 5 A
-ATOM 34 O . PHE A 1 5 . 4.44338 0.235784 2.86362 1 0 0 5 A
-ATOM 35 CB . PHE A 1 5 . 3.60936 -2.98813 3.76791 1 0 0 5 A
-ATOM 36 CG . PHE A 1 5 . 5.00246 -2.96191 4.34987 1 0 0 5 A
-ATOM 37 CD1 . PHE A 1 5 . 6.05283 -3.65471 3.7136 1 0 0 5 A
-ATOM 38 CD2 . PHE A 1 5 . 5.26705 -2.28302 5.55701 1 0 0 5 A
-ATOM 39 CE1 . PHE A 1 5 . 7.33446 -3.68023 4.27644 1 0 0 5 A
-ATOM 40 CE2 . PHE A 1 5 . 6.54672 -2.30936 6.12424 1 0 0 5 A
-ATOM 41 CZ . PHE A 1 5 . 7.58178 -3.01114 5.48108 1 0 0 5 A
-ATOM 42 N . ILE A 1 6 . 2.48423 -0.119041 3.93638 1 0 0 6 A
-ATOM 43 CA . ILE A 1 6 . 2.41506 1.20463 4.52708 1 0 0 6 A
-ATOM 44 C . ILE A 1 6 . 2.27373 1.08844 6.0361 1 0 0 6 A
-ATOM 45 O . ILE A 1 6 . 1.72194 0.108356 6.54708 1 0 0 6 A
-ATOM 46 CB . ILE A 1 6 . 1.26768 2.05008 3.86855 1 0 0 6 A
-ATOM 47 CG1 . ILE A 1 6 . 1.37747 3.57067 4.14828 1 0 0 6 A
-ATOM 48 CG2 . ILE A 1 6 . -0.155898 1.50643 4.15203 1 0 0 6 A
-ATOM 49 CD1 . ILE A 1 6 . 0.325607 4.42248 3.4137 1 0 0 6 A
-ATOM 50 N . PRO A 1 7 . 2.77549 2.1045 6.74192 1 0 0 7 A
-ATOM 51 CA . PRO A 1 7 . 2.70593 2.10894 8.19553 1 0 0 7 A
-ATOM 52 C . PRO A 1 7 . 1.26034 1.99776 8.6647 1 0 0 7 A
-ATOM 53 O . PRO A 1 7 . 0.342923 2.57632 8.06267 1 0 0 7 A
-ATOM 54 CB . PRO A 1 7 . 3.32021 3.47357 8.55888 1 0 0 7 A
-ATOM 55 CG . PRO A 1 7 . 4.15924 3.85053 7.33625 1 0 0 7 A
-ATOM 56 CD . PRO A 1 7 . 3.32929 3.31991 6.16556 1 0 0 7 A
-ATOM 57 N . LYS A 1 8 . 1.06126 1.2406 9.74821 1 0 0 8 A
-ATOM 58 CA . LYS A 1 8 . -0.28586 0.998752 10.2414 1 0 0 8 A
-ATOM 59 C . LYS A 1 8 . -0.993898 2.30117 10.5848 1 0 0 8 A
-ATOM 60 O . LYS A 1 8 . -2.16793 2.4928 10.2336 1 0 0 8 A
-ATOM 61 CB . LYS A 1 8 . -0.218207 0.0463528 11.4751 1 0 0 8 A
-ATOM 62 CG . LYS A 1 8 . -1.57138 -0.321403 12.1117 1 0 0 8 A
-ATOM 63 CD . LYS A 1 8 . -1.43084 -1.08575 13.4412 1 0 0 8 A
-ATOM 64 CE . LYS A 1 8 . -2.78557 -1.38057 14.0883 1 0 0 8 A
-ATOM 65 NZ . LYS A 1 8 . -2.60446 -2.09403 15.3491 1 0 0 8 A
-ATOM 66 N . LYS A 1 9 . -0.298262 3.20492 11.2809 1 0 0 9 A
-ATOM 67 CA . LYS A 1 9 . -0.920309 4.47178 11.6484 1 0 0 9 A
-ATOM 68 C . LYS A 1 9 . -1.2713 5.29229 10.4063 1 0 0 9 A
-ATOM 69 O . LYS A 1 9 . -2.35488 5.89589 10.3441 1 0 0 9 A
-ATOM 70 CB . LYS A 1 9 . 0.0314331 5.26049 12.6001 1 0 0 9 A
-ATOM 71 CG . LYS A 1 9 . -0.426252 6.68178 12.977 1 0 0 9 A
-ATOM 72 CD . LYS A 1 9 . -1.7676 6.70882 13.7331 1 0 0 9 A
-ATOM 73 CE . LYS A 1 9 . -2.13257 8.11281 14.2194 1 0 0 9 A
-ATOM 74 NZ . LYS A 1 9 . -3.47305 8.12011 14.7979 1 0 0 9 A
-ATOM 75 N . LEU A 1 10 . -0.370241 5.3265 9.42409 1 0 0 10 A
-ATOM 76 CA . LEU A 1 10 . -0.657161 6.06336 8.20251 1 0 0 10 A
-ATOM 77 C . LEU A 1 10 . -1.80575 5.42433 7.42883 1 0 0 10 A
-ATOM 78 O . LEU A 1 10 . -2.69344 6.12933 6.92111 1 0 0 10 A
-ATOM 79 CB . LEU A 1 10 . 0.642436 6.13907 7.3612 1 0 0 10 A
-ATOM 80 CG . LEU A 1 10 . 0.533895 6.72223 5.92919 1 0 0 10 A
-ATOM 81 CD1 . LEU A 1 10 . -0.210814 8.07001 5.95128 1 0 0 10 A
-ATOM 82 CD2 . LEU A 1 10 . 1.91099 6.9689 5.28549 1 0 0 10 A
-ATOM 83 N . LEU A 1 11 . -1.80636 4.09069 7.3357 1 0 0 11 A
-ATOM 84 CA . LEU A 1 11 . -2.88001 3.41192 6.62082 1 0 0 11 A
-ATOM 85 C . LEU A 1 11 . -4.22856 3.63038 7.29669 1 0 0 11 A
-ATOM 86 O . LEU A 1 11 . -5.24902 3.82955 6.62164 1 0 0 11 A
-ATOM 87 CB . LEU A 1 11 . -2.51646 1.90882 6.51584 1 0 0 11 A
-ATOM 88 CG . LEU A 1 11 . -3.54292 0.971388 5.8302 1 0 0 11 A
-ATOM 89 CD1 . LEU A 1 11 . -3.97888 1.55137 4.47183 1 0 0 11 A
-ATOM 90 CD2 . LEU A 1 11 . -2.97502 -0.435823 5.5678 1 0 0 11 A
-ATOM 91 N . ASP A 1 12 . -4.25042 3.60001 8.63734 1 0 0 12 A
-ATOM 92 CA . ASP A 1 12 . -5.5065 3.79789 9.34886 1 0 0 12 A
-ATOM 93 C . ASP A 1 12 . -6.03031 5.21862 9.17002 1 0 0 12 A
-ATOM 94 O . ASP A 1 12 . -7.24787 5.42807 9.05266 1 0 0 12 A
-ATOM 95 CB . ASP A 1 12 . -5.28147 3.38445 10.8362 1 0 0 12 A
-ATOM 96 CG . ASP A 1 12 . -5.1702 1.87894 11.0135 1 0 0 12 A
-ATOM 97 OD1 . ASP A 1 12 . -5.56972 1.14161 10.0731 1 0 0 12 A
-ATOM 98 OD2 . ASP A 1 12 . -4.86532 1.44832 12.1467 1 0 0 12 A
-ATOM 99 N . GLU A 1 13 . -5.12713 6.20302 9.15426 1 0 0 13 A
-ATOM 100 CA . GLU A 1 13 . -5.55586 7.5792 8.9516 1 0 0 13 A
-ATOM 101 C . GLU A 1 13 . -6.03261 7.79786 7.515 1 0 0 13 A
-ATOM 102 O . GLU A 1 13 . -7.02812 8.50692 7.28816 1 0 0 13 A
-ATOM 103 CB . GLU A 1 13 . -4.38959 8.53141 9.31986 1 0 0 13 A
-ATOM 104 CG . GLU A 1 13 . -4.00987 8.58231 10.8321 1 0 0 13 A
-ATOM 105 CD . GLU A 1 13 . -5.07099 9.17105 11.7639 1 0 0 13 A
-ATOM 106 OE1 . GLU A 1 13 . -5.93105 9.89826 11.1991 1 0 0 13 A
-ATOM 107 OE2 . GLU A 1 13 . -5.0308 8.93105 12.99 1 0 0 13 A
-ATOM 108 N . LEU A 1 14 . -5.34528 7.19377 6.53711 1 0 0 14 A
-ATOM 109 CA . LEU A 1 14 . -5.78226 7.32776 5.15515 1 0 0 14 A
-ATOM 110 C . LEU A 1 14 . -7.1341 6.65404 4.93259 1 0 0 14 A
-ATOM 111 O . LEU A 1 14 . -8.00153 7.20464 4.24156 1 0 0 14 A
-ATOM 112 CB . LEU A 1 14 . -4.6798 6.74168 4.23668 1 0 0 14 A
-ATOM 113 CG . LEU A 1 14 . -3.4326 7.62135 3.96617 1 0 0 14 A
-ATOM 114 CD1 . LEU A 1 14 . -2.41518 6.86059 3.09572 1 0 0 14 A
-ATOM 115 CD2 . LEU A 1 14 . -3.77982 8.92879 3.23021 1 0 0 14 A
-ATOM 116 N . LYS A 1 15 . -7.33128 5.4681 5.52001 1 0 0 15 A
-ATOM 117 CA . LYS A 1 15 . -8.61766 4.79462 5.39635 1 0 0 15 A
-ATOM 118 C . LYS A 1 15 . -9.73503 5.61359 6.03658 1 0 0 15 A
-ATOM 119 O . LYS A 1 15 . -10.8604 5.66064 5.51609 1 0 0 15 A
-ATOM 120 CB . LYS A 1 15 . -8.51919 3.37334 6.03185 1 0 0 15 A
-ATOM 121 CG . LYS A 1 15 . -7.80572 2.3072 5.17984 1 0 0 15 A
-ATOM 122 CD . LYS A 1 15 . -7.77366 0.918367 5.84445 1 0 0 15 A
-ATOM 123 CE . LYS A 1 15 . -7.16968 -0.149661 4.93044 1 0 0 15 A
-ATOM 124 NZ . LYS A 1 15 . -7.04126 -1.41766 5.64267 1 0 0 15 A
-ATOM 125 N . LYS A 1 16 . -9.439 6.26378 7.16956 1 0 0 16 A
-ATOM 126 CA . LYS A 1 16 . -10.4466 7.09756 7.81109 1 0 0 16 A
-ATOM 127 C . LYS A 1 16 . -10.7908 8.31338 6.95666 1 0 0 16 A
-ATOM 128 O . LYS A 1 16 . -11.9698 8.68876 6.84324 1 0 0 16 A
-ATOM 129 CB . LYS A 1 16 . -9.93866 7.52138 9.22388 1 0 0 16 A
-ATOM 130 CG . LYS A 1 16 . -9.97564 6.42529 10.305 1 0 0 16 A
-ATOM 131 CD . LYS A 1 16 . -9.6305 6.94666 11.7124 1 0 0 16 A
-ATOM 132 CE . LYS A 1 16 . -8.17623 7.40962 11.8203 1 0 0 16 A
-ATOM 133 NZ . LYS A 1 16 . -7.84846 7.74416 13.2032 1 0 0 16 A
-ATOM 134 N . LEU A 1 17 . -9.77556 8.94465 6.35331 1 0 0 17 A
-ATOM 135 CA . LEU A 1 17 . -10.0427 10.0741 5.46973 1 0 0 17 A
-ATOM 136 C . LEU A 1 17 . -10.7929 9.63228 4.21955 1 0 0 17 A
-ATOM 137 O . LEU A 1 17 . -11.7456 10.3016 3.78604 1 0 0 17 A
-ATOM 138 CB . LEU A 1 17 . -8.69358 10.7574 5.1299 1 0 0 17 A
-ATOM 139 CG . LEU A 1 17 . -8.16793 11.8314 6.11617 1 0 0 17 A
-ATOM 140 CD1 . LEU A 1 17 . -6.90253 12.5057 5.55429 1 0 0 17 A
-ATOM 141 CD2 . LEU A 1 17 . -9.19969 12.9426 6.38488 1 0 0 17 A
-ATOM 142 N . ALA A 1 18 . -10.386 8.5002 3.63444 1 0 0 18 A
-ATOM 143 CA . ALA A 1 18 . -11.0817 7.99927 2.45485 1 0 0 18 A
-ATOM 144 C . ALA A 1 18 . -12.534 7.6497 2.77213 1 0 0 18 A
-ATOM 145 O . ALA A 1 18 . -13.4255 7.88063 1.94293 1 0 0 18 A
-ATOM 146 CB . ALA A 1 18 . -10.3292 6.7775 1.86873 1 0 0 18 A
-ATOM 147 N . GLU A 1 19 . -12.7865 7.09527 3.9621 1 0 0 19 A
-ATOM 148 CA . GLU A 1 19 . -14.1539 6.7562 4.32872 1 0 0 19 A
-ATOM 149 C . GLU A 1 19 . -14.9903 8.00849 4.56295 1 0 0 19 A
-ATOM 150 O . GLU A 1 19 . -16.1859 8.04011 4.21755 1 0 0 19 A
-ATOM 151 CB . GLU A 1 19 . -14.1253 5.84334 5.58107 1 0 0 19 A
-ATOM 152 CG . GLU A 1 19 . -15.5067 5.28403 6.04196 1 0 0 19 A
-ATOM 153 CD . GLU A 1 19 . -15.46 4.22517 7.14537 1 0 0 19 A
-ATOM 154 OE1 . GLU A 1 19 . -14.31 3.97712 7.59669 1 0 0 19 A
-ATOM 155 OE2 . GLU A 1 19 . -16.5124 3.6655 7.52163 1 0 0 19 A
-ATOM 156 N . LYS A 1 20 . -14.3892 9.04191 5.15717 1 0 0 20 A
-ATOM 157 CA . LYS A 1 20 . -15.1235 10.2783 5.39211 1 0 0 20 A
-ATOM 158 C . LYS A 1 20 . -15.4424 10.9995 4.08814 1 0 0 20 A
-ATOM 159 O . LYS A 1 20 . -16.5049 11.6344 3.97145 1 0 0 20 A
-ATOM 160 CB . LYS A 1 20 . -14.2994 11.1861 6.35662 1 0 0 20 A
-ATOM 161 CG . LYS A 1 20 . -14.9135 12.5637 6.66734 1 0 0 20 A
-ATOM 162 CD . LYS A 1 20 . -13.9975 13.4598 7.52151 1 0 0 20 A
-ATOM 163 CE . LYS A 1 20 . -14.5646 14.8698 7.6986 1 0 0 20 A
-ATOM 164 NZ . LYS A 1 20 . -13.6485 15.6937 8.48181 1 0 0 20 A
-ATOM 165 N . TYR A 1 21 . -14.5434 10.906 3.09971 1 0 0 21 A
-ATOM 166 CA . TYR A 1 21 . -14.7479 11.5548 1.81394 1 0 0 21 A
-ATOM 167 C . TYR A 1 21 . -15.4047 10.6462 0.78413 1 0 0 21 A
-ATOM 168 O . TYR A 1 21 . -15.7012 11.1077 -0.326905 1 0 0 21 A
-ATOM 169 CB . TYR A 1 21 . -13.3681 12.0989 1.33048 1 0 0 21 A
-ATOM 170 CG . TYR A 1 21 . -12.8673 13.2554 2.16219 1 0 0 21 A
-ATOM 171 CD1 . TYR A 1 21 . -13.7736 14.1778 2.72414 1 0 0 21 A
-ATOM 172 CD2 . TYR A 1 21 . -11.4836 13.4713 2.3265 1 0 0 21 A
-ATOM 173 CE1 . TYR A 1 21 . -13.304 15.3011 3.41529 1 0 0 21 A
-ATOM 174 CE2 . TYR A 1 21 . -11.0157 14.5969 3.0149 1 0 0 21 A
-ATOM 175 CZ . TYR A 1 21 . -11.9274 15.5136 3.55636 1 0 0 21 A
-ATOM 176 OH . TYR A 1 21 . -11.4643 16.6644 4.2266 1 0 0 21 A
-ATOM 177 N . GLY A 1 22 . -15.6479 9.37943 1.11802 1 0 0 22 A
-ATOM 178 CA . GLY A 1 22 . -16.2497 8.46791 0.166909 1 0 0 22 A
-ATOM 179 C . GLY A 1 22 . -15.3435 8.07113 -0.979643 1 0 0 22 A
-ATOM 180 O . GLY A 1 22 . -15.8421 7.69428 -2.05151 1 0 0 22 A
-ATOM 181 N . ALA A 1 23 . -14.0319 8.14596 -0.784052 1 0 0 23 A
-ATOM 182 CA . ALA A 1 23 . -13.079 7.79075 -1.81761 1 0 0 23 A
-ATOM 183 C . ALA A 1 23 . -12.6261 6.3427 -1.65519 1 0 0 23 A
-ATOM 184 O . ALA A 1 23 . -12.9537 5.66073 -0.677235 1 0 0 23 A
-ATOM 185 CB . ALA A 1 23 . -11.8688 8.75899 -1.80015 1 0 0 23 A
-ATOM 186 N . THR A 1 24 . -11.8591 5.87681 -2.63861 1 0 0 24 A
-ATOM 187 CA . THR A 1 24 . -11.336 4.52 -2.64386 1 0 0 24 A
-ATOM 188 C . THR A 1 24 . -9.82072 4.56397 -2.73412 1 0 0 24 A
-ATOM 189 O . THR A 1 24 . -9.25899 5.36686 -3.49025 1 0 0 24 A
-ATOM 190 CB . THR A 1 24 . -11.9843 3.62053 -3.7554 1 0 0 24 A
-ATOM 191 OG1 . THR A 1 24 . -11.9072 4.22318 -5.04992 1 0 0 24 A
-ATOM 192 CG2 . THR A 1 24 . -13.4401 3.21277 -3.52059 1 0 0 24 A
-ATOM 193 N . ILE A 1 25 . -9.16515 3.70169 -1.95925 1 0 0 25 A
-ATOM 194 CA . ILE A 1 25 . -7.71448 3.60661 -1.94048 1 0 0 25 A
-ATOM 195 C . ILE A 1 25 . -7.2931 2.21174 -2.37524 1 0 0 25 A
-ATOM 196 O . ILE A 1 25 . -7.89743 1.21579 -1.96259 1 0 0 25 A
-ATOM 197 CB . ILE A 1 25 . -7.14185 4.00833 -0.534912 1 0 0 25 A
-ATOM 198 CG1 . ILE A 1 25 . -7.57559 5.42127 -0.0680591 1 0 0 25 A
-ATOM 199 CG2 . ILE A 1 25 . -5.61372 3.79102 -0.39311 1 0 0 25 A
-ATOM 200 CD1 . ILE A 1 25 . -7.13407 5.77294 1.36476 1 0 0 25 A
-ATOM 201 N . GLU A 1 26 . -6.25311 2.14846 -3.2077 1 0 0 26 A
-ATOM 202 CA . GLU A 1 26 . -5.74637 0.873543 -3.69092 1 0 0 26 A
-ATOM 203 C . GLU A 1 26 . -4.2796 1.01973 -4.04994 1 0 0 26 A
-ATOM 204 O . GLU A 1 26 . -3.80848 2.11283 -4.37654 1 0 0 26 A
-ATOM 205 CB . GLU A 1 26 . -6.58801 0.395051 -4.90137 1 0 0 26 A
-ATOM 206 CG . GLU A 1 26 . -6.45685 1.25296 -6.19767 1 0 0 26 A
-ATOM 207 CD . GLU A 1 26 . -7.34606 0.828249 -7.36806 1 0 0 26 A
-ATOM 208 OE1 . GLU A 1 26 . -7.10989 -0.32154 -7.82611 1 0 0 26 A
-ATOM 209 OE2 . GLU A 1 26 . -8.21561 1.60991 -7.81008 1 0 0 26 A
-ATOM 210 N . PHE A 1 27 . -3.55835 -0.103859 -3.98204 1 0 0 27 A
-ATOM 211 CA . PHE A 1 27 . -2.14812 -0.124407 -4.34482 1 0 0 27 A
-ATOM 212 C . PHE A 1 27 . -2.05454 -0.237527 -5.86011 1 0 0 27 A
-ATOM 213 O . PHE A 1 27 . -2.18407 -1.32639 -6.42625 1 0 0 27 A
-ATOM 214 CB . PHE A 1 27 . -1.40605 -1.28566 -3.61378 1 0 0 27 A
-ATOM 215 CG . PHE A 1 27 . -1.22549 -1.02561 -2.13735 1 0 0 27 A
-ATOM 216 CD1 . PHE A 1 27 . -0.163839 -0.217371 -1.68155 1 0 0 27 A
-ATOM 217 CD2 . PHE A 1 27 . -2.08555 -1.61837 -1.19023 1 0 0 27 A
-ATOM 218 CE1 . PHE A 1 27 . 0.0423475 -0.0164896 -0.311465 1 0 0 27 A
-ATOM 219 CE2 . PHE A 1 27 . -1.88012 -1.42223 0.180654 1 0 0 27 A
-ATOM 220 CZ . PHE A 1 27 . -0.812162 -0.619391 0.619299 1 0 0 27 A
-ATOM 221 N . MET A 1 28 . -1.83266 0.900035 -6.51808 1 0 0 28 A
-ATOM 222 CA . MET A 1 28 . -1.74992 0.934541 -7.97062 1 0 0 28 A
-ATOM 223 C . MET A 1 28 . -1.30715 2.3256 -8.3927 1 0 0 28 A
-ATOM 224 O . MET A 1 28 . -1.37563 3.28345 -7.60888 1 0 0 28 A
-ATOM 225 CB . MET A 1 28 . -3.1169 0.550099 -8.59198 1 0 0 28 A
-ATOM 226 CG . MET A 1 28 . -4.27313 1.55619 -8.36089 1 0 0 28 A
-ATOM 227 SD . MET A 1 28 . -5.79603 0.961577 -9.16065 1 0 0 28 A
-ATOM 228 CE . MET A 1 28 . -5.25751 1.05179 -10.8968 1 0 0 28 A
-ATOM 229 N . PRO A 1 29 . -0.856231 2.4211 -9.64605 1 0 0 29 A
-ATOM 230 CA . PRO A 1 29 . -0.448534 3.70601 -10.1929 1 0 0 29 A
-ATOM 231 C . PRO A 1 29 . -1.6107 4.6929 -10.162 1 0 0 29 A
-ATOM 232 O . PRO A 1 29 . -2.78014 4.3132 -10.2949 1 0 0 29 A
-ATOM 233 CB . PRO A 1 29 . -0.0424548 3.34795 -11.6346 1 0 0 29 A
-ATOM 234 CG . PRO A 1 29 . 0.325469 1.86432 -11.5687 1 0 0 29 A
-ATOM 235 CD . PRO A 1 29 . -0.72098 1.2867 -10.6136 1 0 0 29 A
-ATOM 236 N . PHE A 1 30 . -1.27539 5.97501 -9.9891 1 0 0 30 A
-ATOM 237 CA . PHE A 1 30 . -2.30608 7.00351 -9.94346 1 0 0 30 A
-ATOM 238 C . PHE A 1 30 . -3.0925 7.05739 -11.2482 1 0 0 30 A
-ATOM 239 O . PHE A 1 30 . -4.3305 7.09348 -11.2343 1 0 0 30 A
-ATOM 240 CB . PHE A 1 30 . -1.64093 8.37012 -9.59193 1 0 0 30 A
-ATOM 241 CG . PHE A 1 30 . -2.56916 9.54259 -9.80122 1 0 0 30 A
-ATOM 242 CD1 . PHE A 1 30 . -3.62978 9.77997 -8.90298 1 0 0 30 A
-ATOM 243 CD2 . PHE A 1 30 . -2.41849 10.3914 -10.9169 1 0 0 30 A
-ATOM 244 CE1 . PHE A 1 30 . -4.52708 10.8323 -9.12091 1 0 0 30 A
-ATOM 245 CE2 . PHE A 1 30 . -3.31603 11.4426 -11.1396 1 0 0 30 A
-ATOM 246 CZ . PHE A 1 30 . -4.37309 11.6615 -10.2384 1 0 0 30 A
-ATOM 247 N . GLU A 1 31 . -2.38634 7.0544 -12.3819 1 0 0 31 A
-ATOM 248 CA . GLU A 1 31 . -3.07185 7.11995 -13.6717 1 0 0 31 A
-ATOM 249 C . GLU A 1 31 . -3.97197 5.90893 -13.8832 1 0 0 31 A
-ATOM 250 O . GLU A 1 31 . -5.11099 6.04546 -14.352 1 0 0 31 A
-ATOM 251 CB . GLU A 1 31 . -2.01216 7.24996 -14.7954 1 0 0 31 A
-ATOM 252 CG . GLU A 1 31 . -1.09866 8.5123 -14.7207 1 0 0 31 A
-ATOM 253 CD . GLU A 1 31 . 0.110178 8.40323 -13.7892 1 0 0 31 A
-ATOM 254 OE1 . GLU A 1 31 . 0.20197 7.31458 -13.1615 1 0 0 31 A
-ATOM 255 OE2 . GLU A 1 31 . 0.907332 9.36015 -13.6826 1 0 0 31 A
-ATOM 256 N . GLU A 1 32 . -3.48408 4.71763 -13.5244 1 0 0 32 A
-ATOM 257 CA . GLU A 1 32 . -4.30875 3.5227 -13.6579 1 0 0 32 A
-ATOM 258 C . GLU A 1 32 . -5.48683 3.55414 -12.6968 1 0 0 32 A
-ATOM 259 O . GLU A 1 32 . -6.59995 3.13474 -13.0462 1 0 0 32 A
-ATOM 260 CB . GLU A 1 32 . -3.41944 2.27306 -13.4342 1 0 0 32 A
-ATOM 261 CG . GLU A 1 32 . -4.14383 0.896862 -13.5564 1 0 0 32 A
-ATOM 262 CD . GLU A 1 32 . -3.24034 -0.336613 -13.5004 1 0 0 32 A
-ATOM 263 OE1 . GLU A 1 32 . -2.00856 -0.100069 -13.6203 1 0 0 32 A
-ATOM 264 OE2 . GLU A 1 32 . -3.74052 -1.47383 -13.3624 1 0 0 32 A
-ATOM 265 N . ALA A 1 33 . -5.26457 4.04759 -11.474 1 0 0 33 A
-ATOM 266 CA . ALA A 1 33 . -6.35095 4.12124 -10.5052 1 0 0 33 A
-ATOM 267 C . ALA A 1 33 . -7.42811 5.10125 -10.9504 1 0 0 33 A
-ATOM 268 O . ALA A 1 33 . -8.62799 4.835 -10.7774 1 0 0 33 A
-ATOM 269 CB . ALA A 1 33 . -5.79582 4.49933 -9.10827 1 0 0 33 A
-ATOM 270 N . ALA A 1 34 . -7.02567 6.23732 -11.522 1 0 0 34 A
-ATOM 271 CA . ALA A 1 34 . -8.00572 7.20279 -11.9991 1 0 0 34 A
-ATOM 272 C . ALA A 1 34 . -8.77664 6.65783 -13.1948 1 0 0 34 A
-ATOM 273 O . ALA A 1 34 . -9.99273 6.87974 -13.3119 1 0 0 34 A
-ATOM 274 CB . ALA A 1 34 . -7.31347 8.54536 -12.3466 1 0 0 34 A
-ATOM 275 N . GLN A 1 35 . -8.09466 5.94021 -14.0928 1 0 0 35 A
-ATOM 276 CA . GLN A 1 35 . -8.75667 5.39321 -15.2651 1 0 0 35 A
-ATOM 277 C . GLN A 1 35 . -9.64864 4.20314 -14.9361 1 0 0 35 A
-ATOM 278 O . GLN A 1 35 . -10.4644 3.80851 -15.7847 1 0 0 35 A
-ATOM 279 CB . GLN A 1 35 . -7.66713 5.02244 -16.3034 1 0 0 35 A
-ATOM 280 CG . GLN A 1 35 . -6.85108 6.21266 -16.869 1 0 0 35 A
-ATOM 281 CD . GLN A 1 35 . -5.73334 5.76108 -17.8111 1 0 0 35 A
-ATOM 282 OE1 . GLN A 1 35 . -5.53051 4.5705 -18.0441 1 0 0 35 A
-ATOM 283 NE2 . GLN A 1 35 . -4.98712 6.73126 -18.3807 1 0 0 35 A
-ATOM 284 N . LYS A 1 36 . -9.51128 3.62813 -13.7418 1 0 0 36 A
-ATOM 285 CA . LYS A 1 36 . -10.2995 2.4722 -13.3567 1 0 0 36 A
-ATOM 286 C . LYS A 1 36 . -11.4536 2.81579 -12.4208 1 0 0 36 A
-ATOM 287 O . LYS A 1 36 . -12.4057 2.03001 -12.3267 1 0 0 36 A
-ATOM 288 CB . LYS A 1 36 . -9.3422 1.4203 -12.716 1 0 0 36 A
-ATOM 289 CG . LYS A 1 36 . -9.99088 0.0831358 -12.3125 1 0 0 36 A
-ATOM 290 CD . LYS A 1 36 . -8.99579 -0.911763 -11.6867 1 0 0 36 A
-ATOM 291 CE . LYS A 1 36 . -9.68869 -2.16326 -11.144 1 0 0 36 A
-ATOM 292 NZ . LYS A 1 36 . -8.72451 -3.02969 -10.4723 1 0 0 36 A
-ATOM 293 N . HIS A 1 37 . -11.3939 3.96858 -11.7373 1 0 0 37 A
-ATOM 294 CA . HIS A 1 37 . -12.4161 4.33692 -10.7697 1 0 0 37 A
-ATOM 295 C . HIS A 1 37 . -12.9243 5.75978 -10.9584 1 0 0 37 A
-ATOM 296 O . HIS A 1 37 . -13.6654 6.25452 -10.0992 1 0 0 37 A
-ATOM 297 CB . HIS A 1 37 . -11.8545 4.1606 -9.33582 1 0 0 37 A
-ATOM 298 CG . HIS A 1 37 . -11.6073 2.73301 -8.94734 1 0 0 37 A
-ATOM 299 ND1 . HIS A 1 37 . -12.6055 1.83064 -8.6411 1 0 0 37 A
-ATOM 300 CD2 . HIS A 1 37 . -10.4362 2.10137 -8.66623 1 0 0 37 A
-ATOM 301 CE1 . HIS A 1 37 . -12.0011 0.707646 -8.19833 1 0 0 37 A
-ATOM 302 NE2 . HIS A 1 37 . -10.6872 0.833614 -8.18231 1 0 0 37 A
-ATOM 303 N . LEU A 1 38 . -12.5478 6.43222 -12.0451 1 0 0 38 A
-ATOM 304 CA . LEU A 1 38 . -12.9829 7.79641 -12.2949 1 0 0 38 A
-ATOM 305 C . LEU A 1 38 . -13.6793 7.89323 -13.6399 1 0 0 38 A
-ATOM 306 O . LEU A 1 38 . -13.3351 7.19172 -14.5983 1 0 0 38 A
-ATOM 307 CB . LEU A 1 38 . -11.7541 8.73683 -12.2049 1 0 0 38 A
-ATOM 308 CG . LEU A 1 38 . -11.9946 10.1803 -11.6939 1 0 0 38 A
-ATOM 309 CD1 . LEU A 1 38 . -12.7868 10.1594 -10.3734 1 0 0 38 A
-ATOM 310 CD2 . LEU A 1 38 . -10.6815 10.9403 -11.4298 1 0 0 38 A
-ATOM 311 N . SER A 1 39 . -14.6784 8.77821 -13.6997 1 0 0 39 A
-ATOM 312 CA . SER A 1 39 . -15.3894 8.99926 -14.9439 1 0 0 39 A
-ATOM 313 C . SER A 1 39 . -14.4902 9.69536 -15.9623 1 0 0 39 A
-ATOM 314 O . SER A 1 39 . -13.5376 10.404 -15.615 1 0 0 39 A
-ATOM 315 CB . SER A 1 39 . -16.7121 9.79421 -14.7152 1 0 0 39 A
-ATOM 316 OG . SER A 1 39 . -16.4757 11.1236 -14.2441 1 0 0 39 A
-ATOM 317 N . PRO A 1 40 . -14.8036 9.47656 -17.2403 1 0 0 40 A
-ATOM 318 CA . PRO A 1 40 . -13.9913 10.054 -18.3021 1 0 0 40 A
-ATOM 319 C . PRO A 1 40 . -13.9528 11.5754 -18.2097 1 0 0 40 A
-ATOM 320 O . PRO A 1 40 . -12.8978 12.1889 -18.4276 1 0 0 40 A
-ATOM 321 CB . PRO A 1 40 . -14.7236 9.57797 -19.5704 1 0 0 40 A
-ATOM 322 CG . PRO A 1 40 . -15.3931 8.26697 -19.1535 1 0 0 40 A
-ATOM 323 CD . PRO A 1 40 . -15.7508 8.50847 -17.6856 1 0 0 40 A
-ATOM 324 N . GLU A 1 41 . -15.0862 12.1984 -17.8804 1 0 0 41 A
-ATOM 325 CA . GLU A 1 41 . -15.1101 13.6519 -17.7546 1 0 0 41 A
-ATOM 326 C . GLU A 1 41 . -14.2423 14.139 -16.598 1 0 0 41 A
-ATOM 327 O . GLU A 1 41 . -13.6103 15.2021 -16.7085 1 0 0 41 A
-ATOM 328 CB . GLU A 1 41 . -16.5834 14.1072 -17.5973 1 0 0 41 A
-ATOM 329 CG . GLU A 1 41 . -17.5334 13.7438 -18.7801 1 0 0 41 A
-ATOM 330 CD . GLU A 1 41 . -18.098 12.3219 -18.7659 1 0 0 41 A
-ATOM 331 OE1 . GLU A 1 41 . -17.8475 11.6601 -17.7233 1 0 0 41 A
-ATOM 332 OE2 . GLU A 1 41 . -18.7379 11.892 -19.7498 1 0 0 41 A
-ATOM 333 N . ALA A 1 42 . -14.1858 13.3783 -15.5034 1 0 0 42 A
-ATOM 334 CA . ALA A 1 42 . -13.3346 13.7702 -14.3867 1 0 0 42 A
-ATOM 335 C . ALA A 1 42 . -11.8575 13.6799 -14.7449 1 0 0 42 A
-ATOM 336 O . ALA A 1 42 . -11.0525 14.529 -14.3166 1 0 0 42 A
-ATOM 337 CB . ALA A 1 42 . -13.6608 12.9046 -13.1429 1 0 0 42 A
-ATOM 338 N . LEU A 1 43 . -11.4817 12.6622 -15.5348 1 0 0 43 A
-ATOM 339 CA . LEU A 1 43 . -10.0835 12.5084 -15.9106 1 0 0 43 A
-ATOM 340 C . LEU A 1 43 . -9.61589 13.6099 -16.8482 1 0 0 43 A
-ATOM 341 O . LEU A 1 43 . -8.40393 13.8693 -16.9265 1 0 0 43 A
-ATOM 342 CB . LEU A 1 43 . -9.91199 11.0996 -16.5339 1 0 0 43 A
-ATOM 343 CG . LEU A 1 43 . -10.1642 9.87644 -15.6159 1 0 0 43 A
-ATOM 344 CD1 . LEU A 1 43 . -9.95009 8.56517 -16.3946 1 0 0 43 A
-ATOM 345 CD2 . LEU A 1 43 . -9.2216 9.84678 -14.3984 1 0 0 43 A
-ATOM 346 N . ALA A 1 44 . -10.5363 14.2657 -17.5515 1 0 0 44 A
-ATOM 347 CA . ALA A 1 44 . -10.1845 15.3712 -18.4274 1 0 0 44 A
-ATOM 348 C . ALA A 1 44 . -9.95777 16.6741 -17.6774 1 0 0 44 A
-ATOM 349 O . ALA A 1 44 . -9.44131 17.6298 -18.2713 1 0 0 44 A
-ATOM 350 CB . ALA A 1 44 . -11.2809 15.5348 -19.5107 1 0 0 44 A
-ATOM 351 N . ARG A 1 45 . -10.3268 16.7315 -16.396 1 0 0 45 A
-ATOM 352 CA . ARG A 1 45 . -10.1471 17.9391 -15.6132 1 0 0 45 A
-ATOM 353 C . ARG A 1 45 . -8.678 18.1429 -15.2547 1 0 0 45 A
-ATOM 354 O . ARG A 1 45 . -7.89223 17.1918 -15.1691 1 0 0 45 A
-ATOM 355 CB . ARG A 1 45 . -11.0635 17.901 -14.3513 1 0 0 45 A
-ATOM 356 CG . ARG A 1 45 . -12.5898 17.898 -14.6214 1 0 0 45 A
-ATOM 357 CD . ARG A 1 45 . -13.1205 19.2082 -15.2323 1 0 0 45 A
-ATOM 358 NE . ARG A 1 45 . -12.8424 20.3005 -14.2427 1 0 0 45 A
-ATOM 359 CZ . ARG A 1 45 . -13.6102 20.5258 -13.1679 1 0 0 45 A
-ATOM 360 NH1 . ARG A 1 45 . -14.666 19.7397 -12.9773 1 0 0 45 A
-ATOM 361 NH2 . ARG A 1 45 . -13.3317 21.483 -12.2874 1 0 0 45 A
-ATOM 362 N . PRO A 1 46 . -8.32022 19.4028 -15.0291 1 0 0 46 A
-ATOM 363 CA . PRO A 1 46 . -6.9452 19.7534 -14.6945 1 0 0 46 A
-ATOM 364 C . PRO A 1 46 . -6.59687 19.3756 -13.2485 1 0 0 46 A
-ATOM 365 O . PRO A 1 46 . -6.12853 20.2035 -12.4671 1 0 0 46 A
-ATOM 366 CB . PRO A 1 46 . -6.94116 21.2793 -14.9022 1 0 0 46 A
-ATOM 367 CG . PRO A 1 46 . -8.34823 21.7221 -14.4959 1 0 0 46 A
-ATOM 368 CD . PRO A 1 46 . -9.23803 20.6037 -15.0422 1 0 0 46 A
-ATOM 369 N . ILE A 1 47 . -6.82365 18.1009 -12.912 1 0 0 47 A
-ATOM 370 CA . ILE A 1 47 . -6.51114 17.5852 -11.584 1 0 0 47 A
-ATOM 371 C . ILE A 1 47 . -5.47536 16.4676 -11.6218 1 0 0 47 A
-ATOM 372 O . ILE A 1 47 . -5.14816 15.9069 -10.5586 1 0 0 47 A
-ATOM 373 CB . ILE A 1 47 . -7.84201 17.1618 -10.8667 1 0 0 47 A
-ATOM 374 CG1 . ILE A 1 47 . -8.61736 16.042 -11.6066 1 0 0 47 A
-ATOM 375 CG2 . ILE A 1 47 . -8.75848 18.353 -10.4879 1 0 0 47 A
-ATOM 376 CD1 . ILE A 1 47 . -9.91952 15.611 -10.9064 1 0 0 47 A
-ATOM 377 N . ARG A 1 48 . -4.94858 16.1242 -12.8004 1 0 0 48 A
-ATOM 378 CA . ARG A 1 48 . -3.96816 15.0462 -12.8866 1 0 0 48 A
-ATOM 379 C . ARG A 1 48 . -2.69336 15.3958 -12.1302 1 0 0 48 A
-ATOM 380 O . ARG A 1 48 . -2.07534 14.518 -11.5127 1 0 0 48 A
-ATOM 381 CB . ARG A 1 48 . -3.69154 14.6992 -14.3822 1 0 0 48 A
-ATOM 382 CG . ARG A 1 48 . -4.78392 13.8644 -15.098 1 0 0 48 A
-ATOM 383 CD . ARG A 1 48 . -4.4441 13.5073 -16.557 1 0 0 48 A
-ATOM 384 NE . ARG A 1 48 . -5.65031 12.8306 -17.1376 1 0 0 48 A
-ATOM 385 CZ . ARG A 1 48 . -5.75646 11.4999 -17.2541 1 0 0 48 A
-ATOM 386 NH1 . ARG A 1 48 . -4.74053 10.752 -16.8329 1 0 0 48 A
-ATOM 387 NH2 . ARG A 1 48 . -6.84561 10.9175 -17.7475 1 0 0 48 A
-ATOM 388 N . ASP A 1 49 . -2.28297 16.6658 -12.1689 1 0 0 49 A
-ATOM 389 CA . ASP A 1 49 . -1.06267 17.0555 -11.4737 1 0 0 49 A
-ATOM 390 C . ASP A 1 49 . -1.20598 16.9071 -9.95727 1 0 0 49 A
-ATOM 391 O . ASP A 1 49 . -0.27625 16.437 -9.28388 1 0 0 49 A
-ATOM 392 CB . ASP A 1 49 . -0.691692 18.497 -11.9404 1 0 0 49 A
-ATOM 393 CG . ASP A 1 49 . -0.0964192 18.5232 -13.3388 1 0 0 49 A
-ATOM 394 OD1 . ASP A 1 49 . 0.514075 17.497 -13.7409 1 0 0 49 A
-ATOM 395 OD2 . ASP A 1 49 . -0.0797726 19.6175 -13.9428 1 0 0 49 A
-ATOM 396 N . LEU A 1 50 . -2.36757 17.2809 -9.41156 1 0 0 50 A
-ATOM 397 CA . LEU A 1 50 . -2.57246 17.1403 -7.97899 1 0 0 50 A
-ATOM 398 C . LEU A 1 50 . -2.61269 15.672 -7.5694 1 0 0 50 A
-ATOM 399 O . LEU A 1 50 . -2.0731 15.2973 -6.51431 1 0 0 50 A
-ATOM 400 CB . LEU A 1 50 . -3.87427 17.8891 -7.59543 1 0 0 50 A
-ATOM 401 CG . LEU A 1 50 . -3.91505 19.4201 -7.83424 1 0 0 50 A
-ATOM 402 CD1 . LEU A 1 50 . -5.33942 19.9621 -7.6131 1 0 0 50 A
-ATOM 403 CD2 . LEU A 1 50 . -2.97782 20.1913 -6.8864 1 0 0 50 A
-ATOM 404 N . LEU A 1 51 . -3.24142 14.8196 -8.38702 1 0 0 51 A
-ATOM 405 CA . LEU A 1 51 . -3.28021 13.4018 -8.06543 1 0 0 51 A
-ATOM 406 C . LEU A 1 51 . -1.89124 12.7767 -8.15178 1 0 0 51 A
-ATOM 407 O . LEU A 1 51 . -1.52321 11.9492 -7.30393 1 0 0 51 A
-ATOM 408 CB . LEU A 1 51 . -4.2905 12.7129 -9.0179 1 0 0 51 A
-ATOM 409 CG . LEU A 1 51 . -5.77675 13.1403 -8.91374 1 0 0 51 A
-ATOM 410 CD1 . LEU A 1 51 . -6.62772 12.3888 -9.95429 1 0 0 51 A
-ATOM 411 CD2 . LEU A 1 51 . -6.38059 12.8463 -7.5279 1 0 0 51 A
-ATOM 412 N . LYS A 1 52 . -1.1074 13.1677 -9.16101 1 0 0 52 A
-ATOM 413 CA . LYS A 1 52 . 0.245744 12.6404 -9.27018 1 0 0 52 A
-ATOM 414 C . LYS A 1 52 . 1.11432 13.1058 -8.10613 1 0 0 52 A
-ATOM 415 O . LYS A 1 52 . 1.94645 12.3415 -7.59689 1 0 0 52 A
-ATOM 416 CB . LYS A 1 52 . 0.857293 13.0656 -10.6409 1 0 0 52 A
-ATOM 417 CG . LYS A 1 52 . 2.21826 12.4356 -10.9908 1 0 0 52 A
-ATOM 418 CD . LYS A 1 52 . 2.2008 10.8959 -10.9652 1 0 0 52 A
-ATOM 419 CE . LYS A 1 52 . 3.54702 10.2924 -11.3707 1 0 0 52 A
-ATOM 420 NZ . LYS A 1 52 . 3.55897 8.85467 -11.1171 1 0 0 52 A
-ATOM 421 N . GLU A 1 53 . 0.939583 14.3604 -7.6763 1 0 0 53 A
-ATOM 422 CA . GLU A 1 53 . 1.70189 14.8456 -6.53479 1 0 0 53 A
-ATOM 423 C . GLU A 1 53 . 1.32918 14.0926 -5.26174 1 0 0 53 A
-ATOM 424 O . GLU A 1 53 . 2.20478 13.7649 -4.44644 1 0 0 53 A
-ATOM 425 CB . GLU A 1 53 . 1.46916 16.371 -6.38763 1 0 0 53 A
-ATOM 426 CG . GLU A 1 53 . 2.17123 17.2681 -7.4534 1 0 0 53 A
-ATOM 427 CD . GLU A 1 53 . 1.76592 18.7434 -7.45075 1 0 0 53 A
-ATOM 428 OE1 . GLU A 1 53 . 0.995592 19.0821 -6.51295 1 0 0 53 A
-ATOM 429 OE2 . GLU A 1 53 . 2.18248 19.5092 -8.34661 1 0 0 53 A
-ATOM 430 N . LEU A 1 54 . 0.0324524 13.8077 -5.07889 1 0 0 54 A
-ATOM 431 CA . LEU A 1 54 . -0.385515 13.0462 -3.91201 1 0 0 54 A
-ATOM 432 C . LEU A 1 54 . 0.142892 11.6169 -3.96692 1 0 0 54 A
-ATOM 433 O . LEU A 1 54 . 0.567087 11.0623 -2.93953 1 0 0 54 A
-ATOM 434 CB . LEU A 1 54 . -1.93242 13.0937 -3.82634 1 0 0 54 A
-ATOM 435 CG . LEU A 1 54 . -2.61484 12.2279 -2.73679 1 0 0 54 A
-ATOM 436 CD1 . LEU A 1 54 . -2.14283 12.6556 -1.33471 1 0 0 54 A
-ATOM 437 CD2 . LEU A 1 54 . -4.14989 12.3487 -2.76135 1 0 0 54 A
-ATOM 438 N . GLU A 1 55 . 0.128817 11.0039 -5.15725 1 0 0 55 A
-ATOM 439 CA . GLU A 1 55 . 0.644423 9.64608 -5.27828 1 0 0 55 A
-ATOM 440 C . GLU A 1 55 . 2.14687 9.59886 -5.02759 1 0 0 55 A
-ATOM 441 O . GLU A 1 55 . 2.64665 8.65701 -4.39302 1 0 0 55 A
-ATOM 442 CB . GLU A 1 55 . 0.279549 9.09575 -6.6806 1 0 0 55 A
-ATOM 443 CG . GLU A 1 55 . 0.575893 7.58158 -6.91097 1 0 0 55 A
-ATOM 444 CD . GLU A 1 55 . 0.657114 7.13547 -8.37223 1 0 0 55 A
-ATOM 445 OE1 . GLU A 1 55 . 1.37576 7.86036 -9.11093 1 0 0 55 A
-ATOM 446 OE2 . GLU A 1 55 . 0.0230603 6.12896 -8.75617 1 0 0 55 A
-ATOM 447 N . ASP A 1 56 . 2.87861 10.6132 -5.50433 1 0 0 56 A
-ATOM 448 CA . ASP A 1 56 . 4.31249 10.6501 -5.25587 1 0 0 56 A
-ATOM 449 C . ASP A 1 56 . 4.61314 10.8127 -3.76763 1 0 0 56 A
-ATOM 450 O . ASP A 1 56 . 5.5791 10.2226 -3.25658 1 0 0 56 A
-ATOM 451 CB . ASP A 1 56 . 4.92528 11.7676 -6.1554 1 0 0 56 A
-ATOM 452 CG . ASP A 1 56 . 4.96168 11.3804 -7.62478 1 0 0 56 A
-ATOM 453 OD1 . ASP A 1 56 . 4.79083 10.1677 -7.9211 1 0 0 56 A
-ATOM 454 OD2 . ASP A 1 56 . 5.34208 12.2443 -8.44414 1 0 0 56 A
-ATOM 455 N . LYS A 1 57 . 3.79824 11.6022 -3.06184 1 0 0 57 A
-ATOM 456 CA . LYS A 1 57 . 4.00522 11.7633 -1.62752 1 0 0 57 A
-ATOM 457 C . LYS A 1 57 . 3.70471 10.4712 -0.879211 1 0 0 57 A
-ATOM 458 O . LYS A 1 57 . 4.40763 10.1236 0.0813631 1 0 0 57 A
-ATOM 459 CB . LYS A 1 57 . 3.12302 12.9398 -1.1068 1 0 0 57 A
-ATOM 460 CG . LYS A 1 57 . 3.3017 13.3037 0.378893 1 0 0 57 A
-ATOM 461 CD . LYS A 1 57 . 4.70559 13.844 0.708605 1 0 0 57 A
-ATOM 462 CE . LYS A 1 57 . 4.96415 15.2138 0.0779089 1 0 0 57 A
-ATOM 463 NZ . LYS A 1 57 . 6.22413 15.7694 0.563048 1 0 0 57 A
-ATOM 464 N . ILE A 1 58 . 2.66526 9.74511 -1.30809 1 0 0 58 A
-ATOM 465 CA . ILE A 1 58 . 2.36012 8.46981 -0.671231 1 0 0 58 A
-ATOM 466 C . ILE A 1 58 . 3.46079 7.44526 -0.923432 1 0 0 58 A
-ATOM 467 O . ILE A 1 58 . 3.84261 6.69717 -0.0110104 1 0 0 58 A
-ATOM 468 CB . ILE A 1 58 . 0.94331 7.97032 -1.12735 1 0 0 58 A
-ATOM 469 CG1 . ILE A 1 58 . -0.212385 8.91572 -0.7113 1 0 0 58 A
-ATOM 470 CG2 . ILE A 1 58 . 0.649169 6.49339 -0.760382 1 0 0 58 A
-ATOM 471 CD1 . ILE A 1 58 . -1.58198 8.53181 -1.30158 1 0 0 58 A
-ATOM 472 N . ASN A 1 59 . 3.98328 7.39766 -2.15189 1 0 0 59 A
-ATOM 473 CA . ASN A 1 59 . 5.05989 6.46606 -2.44895 1 0 0 59 A
-ATOM 474 C . ASN A 1 59 . 6.32933 6.82232 -1.67569 1 0 0 59 A
-ATOM 475 O . ASN A 1 59 . 7.04555 5.92681 -1.19943 1 0 0 59 A
-ATOM 476 CB . ASN A 1 59 . 5.26749 6.46265 -3.99507 1 0 0 59 A
-ATOM 477 CG . ASN A 1 59 . 6.37509 5.52488 -4.47955 1 0 0 59 A
-ATOM 478 OD1 . ASN A 1 59 . 6.2661 4.30011 -4.44854 1 0 0 59 A
-ATOM 479 ND2 . ASN A 1 59 . 7.50003 6.11732 -4.93344 1 0 0 59 A
-ATOM 480 N . GLU A 1 60 . 6.62012 8.11962 -1.53998 1 0 0 60 A
-ATOM 481 CA . GLU A 1 60 . 7.79204 8.5259 -0.772782 1 0 0 60 A
-ATOM 482 C . GLU A 1 60 . 7.65233 8.13447 0.693688 1 0 0 60 A
-ATOM 483 O . GLU A 1 60 . 8.63625 7.71781 1.32657 1 0 0 60 A
-ATOM 484 CB . GLU A 1 60 . 7.99881 10.0528 -0.941474 1 0 0 60 A
-ATOM 485 CG . GLU A 1 60 . 8.4906 10.5174 -2.34713 1 0 0 60 A
-ATOM 486 CD . GLU A 1 60 . 8.69103 12.0248 -2.51592 1 0 0 60 A
-ATOM 487 OE1 . GLU A 1 60 . 8.49587 12.7075 -1.4751 1 0 0 60 A
-ATOM 488 OE2 . GLU A 1 60 . 9.00758 12.4938 -3.63052 1 0 0 60 A
-ATOM 489 N . ALA A 1 61 . 6.44467 8.26544 1.25 1 0 0 61 A
-ATOM 490 CA . ALA A 1 61 . 6.23356 7.85961 2.63128 1 0 0 61 A
-ATOM 491 C . ALA A 1 61 . 6.39745 6.35305 2.79464 1 0 0 61 A
-ATOM 492 O . ALA A 1 61 . 6.98648 5.89072 3.78562 1 0 0 61 A
-ATOM 493 CB . ALA A 1 61 . 4.83843 8.32517 3.12053 1 0 0 61 A
-ATOM 494 N . ILE A 1 62 . 5.88494 5.57592 1.83265 1 0 0 62 A
-ATOM 495 CA . ILE A 1 62 . 6.02921 4.1273 1.9058 1 0 0 62 A
-ATOM 496 C . ILE A 1 62 . 7.48853 3.70265 1.7838 1 0 0 62 A
-ATOM 497 O . ILE A 1 62 . 7.93154 2.78724 2.49316 1 0 0 62 A
-ATOM 498 CB . ILE A 1 62 . 5.10259 3.44628 0.836934 1 0 0 62 A
-ATOM 499 CG1 . ILE A 1 62 . 3.58963 3.61556 1.12813 1 0 0 62 A
-ATOM 500 CG2 . ILE A 1 62 . 5.47569 1.97389 0.528125 1 0 0 62 A
-ATOM 501 CD1 . ILE A 1 62 . 2.67105 3.06467 0.0216305 1 0 0 62 A
-ATOM 502 N . ASN A 1 63 . 8.24409 4.35648 0.894842 1 0 0 63 A
-ATOM 503 CA . ASN A 1 63 . 9.65684 4.03271 0.761721 1 0 0 63 A
-ATOM 504 C . ASN A 1 63 . 10.4212 4.36437 2.03651 1 0 0 63 A
-ATOM 505 O . ASN A 1 63 . 11.3508 3.63466 2.41403 1 0 0 63 A
-ATOM 506 CB . ASN A 1 63 . 10.1985 4.79053 -0.489637 1 0 0 63 A
-ATOM 507 CG . ASN A 1 63 . 9.68873 4.2455 -1.82529 1 0 0 63 A
-ATOM 508 OD1 . ASN A 1 63 . 9.32531 3.07923 -1.96895 1 0 0 63 A
-ATOM 509 ND2 . ASN A 1 63 . 9.67344 5.11664 -2.85649 1 0 0 63 A
-ATOM 510 N . GLU A 1 64 . 10.0447 5.45688 2.70821 1 0 0 64 A
-ATOM 511 CA . GLU A 1 64 . 10.694 5.80279 3.96164 1 0 0 64 A
-ATOM 512 C . GLU A 1 64 . 10.3971 4.76609 5.04336 1 0 0 64 A
-ATOM 513 O . GLU A 1 64 . 11.2941 4.40675 5.82561 1 0 0 64 A
-ATOM 514 CB . GLU A 1 64 . 10.2388 7.222 4.38724 1 0 0 64 A
-ATOM 515 CG . GLU A 1 64 . 10.9014 7.78463 5.68263 1 0 0 64 A
-ATOM 516 CD . GLU A 1 64 . 10.6833 9.27588 5.94634 1 0 0 64 A
-ATOM 517 OE1 . GLU A 1 64 . 10.0038 9.87725 5.07218 1 0 0 64 A
-ATOM 518 OE2 . GLU A 1 64 . 11.18 9.81194 6.96048 1 0 0 64 A
-ATOM 519 N . PHE A 1 65 . 9.16238 4.26961 5.09463 1 0 0 65 A
-ATOM 520 CA . PHE A 1 65 . 8.83461 3.23487 6.064 1 0 0 65 A
-ATOM 521 C . PHE A 1 65 . 9.53687 1.92082 5.74609 1 0 0 65 A
-ATOM 522 O . PHE A 1 65 . 9.94346 1.19414 6.6648 1 0 0 65 A
-ATOM 523 CB . PHE A 1 65 . 7.28332 3.08181 6.12469 1 0 0 65 A
-ATOM 524 CG . PHE A 1 65 . 6.8433 1.93651 7.00491 1 0 0 65 A
-ATOM 525 CD1 . PHE A 1 65 . 7.17817 1.92197 8.37449 1 0 0 65 A
-ATOM 526 CD2 . PHE A 1 65 . 6.13018 0.845845 6.46639 1 0 0 65 A
-ATOM 527 CE1 . PHE A 1 65 . 6.82098 0.837505 9.18465 1 0 0 65 A
-ATOM 528 CE2 . PHE A 1 65 . 5.77441 -0.241688 7.27305 1 0 0 65 A
-ATOM 529 CZ . PHE A 1 65 . 6.12241 -0.24438 8.63554 1 0 0 65 A
-ATOM 530 N . TYR A 1 66 . 9.70151 1.60545 4.45486 1 0 0 66 A
-ATOM 531 CA . TYR A 1 66 . 10.3974 0.381012 4.08509 1 0 0 66 A
-ATOM 532 C . TYR A 1 66 . 11.8826 0.444647 4.42388 1 0 0 66 A
-ATOM 533 O . TYR A 1 66 . 12.4993 -0.593717 4.70598 1 0 0 66 A
-ATOM 534 CB . TYR A 1 66 . 10.146 0.109917 2.56953 1 0 0 66 A
-ATOM 535 CG . TYR A 1 66 . 8.68865 -0.116883 2.24602 1 0 0 66 A
-ATOM 536 CD1 . TYR A 1 66 . 7.76191 -0.389786 3.27304 1 0 0 66 A
-ATOM 537 CD2 . TYR A 1 66 . 8.24778 -0.132545 0.906807 1 0 0 66 A
-ATOM 538 CE1 . TYR A 1 66 . 6.43047 -0.692518 2.96379 1 0 0 66 A
-ATOM 539 CE2 . TYR A 1 66 . 6.91683 -0.438924 0.599098 1 0 0 66 A
-ATOM 540 CZ . TYR A 1 66 . 6.00921 -0.722247 1.629 1 0 0 66 A
-ATOM 541 OH . TYR A 1 66 . 4.67399 -1.05937 1.32631 1 0 0 66 A
-ATOM 542 N . SER A 1 67 . 12.4672 1.6534 4.40326 1 0 0 67 A
-ATOM 543 CA . SER A 1 67 . 13.8767 1.79684 4.73278 1 0 0 67 A
-ATOM 544 C . SER A 1 67 . 14.1643 1.53212 6.20558 1 0 0 67 A
-ATOM 545 O . SER A 1 67 . 15.3392 1.37271 6.57725 1 0 0 67 A
-ATOM 546 CB . SER A 1 67 . 14.3992 3.19973 4.29401 1 0 0 67 A
-ATOM 547 OG . SER A 1 67 . 13.8375 4.25962 5.07255 1 0 0 67 A
-ATOM 548 N . LEU A 1 68 . 13.1354 1.47932 7.04563 1 0 0 68 A
-ATOM 549 CA . LEU A 1 68 . 13.323 1.16617 8.45168 1 0 0 68 A
-ATOM 550 C . LEU A 1 68 . 13.4951 -0.324379 8.70218 1 0 0 68 A
-ATOM 551 O . LEU A 1 68 . 13.8564 -0.711031 9.82731 1 0 0 68 A
-ATOM 552 CB . LEU A 1 68 . 12.1158 1.75273 9.22686 1 0 0 68 A
-ATOM 553 CG . LEU A 1 68 . 11.9888 3.29621 9.29041 1 0 0 68 A
-ATOM 554 CD1 . LEU A 1 68 . 10.6286 3.70081 9.88845 1 0 0 68 A
-ATOM 555 CD2 . LEU A 1 68 . 13.0833 3.94403 10.1588 1 0 0 68 A
-ATOM 556 N . LEU A 1 69 . 13.2354 -1.16439 7.70192 1 0 0 69 A
-ATOM 557 CA . LEU A 1 69 . 13.3784 -2.60118 7.85811 1 0 0 69 A
-ATOM 558 C . LEU A 1 69 . 14.8527 -3.00729 7.83059 1 0 0 69 A
-ATOM 559 O . LEU A 1 69 . 15.7177 -2.28106 7.31109 1 0 0 69 A
-ATOM 560 CB . LEU A 1 69 . 12.5588 -3.30308 6.74542 1 0 0 69 A
-ATOM 561 CG . LEU A 1 69 . 11.0505 -3.54139 7.01112 1 0 0 69 A
-ATOM 562 CD1 . LEU A 1 69 . 10.333 -3.95298 5.71211 1 0 0 69 A
-ATOM 563 CD2 . LEU A 1 69 . 10.8012 -4.65434 8.04592 1 0 0 69 A
-ATOM 564 N . PRO A 1 70 . 15.1192 -4.1876 8.38567 1 0 0 70 A
-ATOM 565 CA . PRO A 1 70 . 16.4837 -4.70242 8.38982 1 0 0 70 A
-ATOM 566 C . PRO A 1 70 . 17.0185 -4.8208 6.97138 1 0 0 70 A
-ATOM 567 O . PRO A 1 70 . 16.2996 -5.21925 6.04755 1 0 0 70 A
-ATOM 568 CB . PRO A 1 70 . 16.3212 -6.08175 9.05513 1 0 0 70 A
-ATOM 569 CG . PRO A 1 70 . 15.1251 -5.91252 9.99397 1 0 0 70 A
-ATOM 570 CD . PRO A 1 70 . 14.2352 -4.91472 9.25008 1 0 0 70 A
-ATOM 571 N . LYS A 1 71 . 18.293 -4.45407 6.80006 1 0 0 71 A
-ATOM 572 CA . LYS A 1 71 . 18.9031 -4.47056 5.47791 1 0 0 71 A
-ATOM 573 C . LYS A 1 71 . 19.0448 -5.88149 4.91916 1 0 0 71 A
-ATOM 574 O . LYS A 1 71 . 19.2034 -6.04059 3.6984 1 0 0 71 A
-ATOM 575 CB . LYS A 1 71 . 20.2841 -3.74935 5.55686 1 0 0 71 A
-ATOM 576 CG . LYS A 1 71 . 20.2341 -2.23748 5.8456 1 0 0 71 A
-ATOM 577 CD . LYS A 1 71 . 21.6206 -1.56753 5.82411 1 0 0 71 A
-ATOM 578 CE . LYS A 1 71 . 21.5345 -0.0481173 5.98179 1 0 0 71 A
-ATOM 579 NZ . LYS A 1 71 . 22.843 0.562354 5.76546 1 0 0 71 A
-ATOM 580 N . ASP A 1 72 . 18.9691 -6.9001 5.7731 1 0 0 72 A
-ATOM 581 CA . ASP A 1 72 . 19.0477 -8.27648 5.31576 1 0 0 72 A
-ATOM 582 C . ASP A 1 72 . 17.7518 -8.76904 4.68723 1 0 0 72 A
-ATOM 583 O . ASP A 1 72 . 17.7208 -9.87136 4.16395 1 0 0 72 A
-ATOM 584 CB . ASP A 1 72 . 19.5316 -9.12929 6.52908 1 0 0 72 A
-ATOM 585 CG . ASP A 1 72 . 18.6321 -8.97826 7.745 1 0 0 72 A
-ATOM 586 OD1 . ASP A 1 72 . 17.9284 -7.93688 7.83433 1 0 0 72 A
-ATOM 587 OD2 . ASP A 1 72 . 18.7741 -9.7977 8.6782 1 0 0 72 A
-ATOM 588 N . ILE A 1 73 . 16.7046 -7.96207 4.71386 1 0 0 73 A
-ATOM 589 CA . ILE A 1 73 . 15.4175 -8.32442 4.14193 1 0 0 73 A
-ATOM 590 C . ILE A 1 73 . 15.1268 -7.41563 2.95863 1 0 0 73 A
-ATOM 591 O . ILE A 1 73 . 15.1196 -6.18346 3.10205 1 0 0 73 A
-ATOM 592 CB . ILE A 1 73 . 14.284 -8.29594 5.22794 1 0 0 73 A
-ATOM 593 CG1 . ILE A 1 73 . 14.3987 -9.43252 6.27558 1 0 0 73 A
-ATOM 594 CG2 . ILE A 1 73 . 12.8536 -8.18609 4.6411 1 0 0 73 A
-ATOM 595 CD1 . ILE A 1 73 . 13.3735 -9.33754 7.42082 1 0 0 73 A
-ATOM 596 N . GLU A 1 74 . 14.8915 -8.02019 1.78953 1 0 0 74 A
-ATOM 597 CA . GLU A 1 74 . 14.5956 -7.24441 0.593651 1 0 0 74 A
-ATOM 598 C . GLU A 1 74 . 13.1249 -6.86205 0.560705 1 0 0 74 A
-ATOM 599 O . GLU A 1 74 . 12.2496 -7.67773 0.874601 1 0 0 74 A
-ATOM 600 CB . GLU A 1 74 . 15.0047 -8.05818 -0.660516 1 0 0 74 A
-ATOM 601 CG . GLU A 1 74 . 16.5384 -8.24905 -0.872176 1 0 0 74 A
-ATOM 602 CD . GLU A 1 74 . 16.9477 -8.95239 -2.16783 1 0 0 74 A
-ATOM 603 OE1 . GLU A 1 74 . 15.9907 -9.29819 -2.91097 1 0 0 74 A
-ATOM 604 OE2 . GLU A 1 74 . 18.1556 -9.15966 -2.41359 1 0 0 74 A
-ATOM 605 N . VAL A 1 75 . 12.8519 -5.61601 0.173223 1 0 0 75 A
-ATOM 606 CA . VAL A 1 75 . 11.4996 -5.08122 0.120279 1 0 0 75 A
-ATOM 607 C . VAL A 1 75 . 11.2646 -4.47219 -1.25241 1 0 0 75 A
-ATOM 608 O . VAL A 1 75 . 12.0767 -3.66261 -1.72685 1 0 0 75 A
-ATOM 609 CB . VAL A 1 75 . 11.2597 -4.02695 1.25863 1 0 0 75 A
-ATOM 610 CG1 . VAL A 1 75 . 9.84113 -3.42769 1.26753 1 0 0 75 A
-ATOM 611 CG2 . VAL A 1 75 . 11.5604 -4.60139 2.65549 1 0 0 75 A
-ATOM 612 N . LYS A 1 76 . 10.1556 -4.85791 -1.88462 1 0 0 76 A
-ATOM 613 CA . LYS A 1 76 . 9.76498 -4.27882 -3.16012 1 0 0 76 A
-ATOM 614 C . LYS A 1 76 . 8.87318 -3.06681 -2.93826 1 0 0 76 A
-ATOM 615 O . LYS A 1 76 . 7.96741 -3.09886 -2.09496 1 0 0 76 A
-ATOM 616 CB . LYS A 1 76 . 9.05234 -5.35611 -4.03487 1 0 0 76 A
-ATOM 617 CG . LYS A 1 76 . 9.91486 -6.56517 -4.4421 1 0 0 76 A
-ATOM 618 CD . LYS A 1 76 . 9.16981 -7.56898 -5.34147 1 0 0 76 A
-ATOM 619 CE . LYS A 1 76 . 9.99863 -8.82389 -5.62282 1 0 0 76 A
-ATOM 620 NZ . LYS A 1 76 . 9.18185 -9.83728 -6.28427 1 0 0 76 A
-ATOM 621 N . PRO A 1 77 . 9.12792 -2.00454 -3.70172 1 0 0 77 A
-ATOM 622 CA . PRO A 1 77 . 8.36329 -0.776247 -3.55892 1 0 0 77 A
-ATOM 623 C . PRO A 1 77 . 7.04492 -0.860141 -4.31464 1 0 0 77 A
-ATOM 624 O . PRO A 1 77 . 6.91113 -1.57131 -5.31551 1 0 0 77 A
-ATOM 625 CB . PRO A 1 77 . 9.30664 0.274997 -4.17259 1 0 0 77 A
-ATOM 626 CG . PRO A 1 77 . 10.0326 -0.473181 -5.29242 1 0 0 77 A
-ATOM 627 CD . PRO A 1 77 . 10.0913 -1.91066 -4.77172 1 0 0 77 A
-ATOM 628 N . VAL A 1 78 . 6.05687 -0.110582 -3.81953 1 0 0 78 A
-ATOM 629 CA . VAL A 1 78 . 4.75092 -0.0589709 -4.46095 1 0 0 78 A
-ATOM 630 C . VAL A 1 78 . 4.13339 1.3081 -4.21508 1 0 0 78 A
-ATOM 631 O . VAL A 1 78 . 4.38721 1.94876 -3.1921 1 0 0 78 A
-ATOM 632 CB . VAL A 1 78 . 3.81605 -1.20727 -3.9391 1 0 0 78 A
-ATOM 633 CG1 . VAL A 1 78 . 3.32723 -1.00729 -2.4925 1 0 0 78 A
-ATOM 634 CG2 . VAL A 1 78 . 2.59096 -1.41758 -4.84824 1 0 0 78 A
-ATOM 635 N . THR A 1 79 . 3.31376 1.74201 -5.17297 1 0 0 79 A
-ATOM 636 CA . THR A 1 79 . 2.66504 3.04153 -5.11167 1 0 0 79 A
-ATOM 637 C . THR A 1 79 . 1.1764 2.85705 -4.85593 1 0 0 79 A
-ATOM 638 O . THR A 1 79 . 0.530943 2.00009 -5.47981 1 0 0 79 A
-ATOM 639 CB . THR A 1 79 . 2.95872 3.92696 -6.37447 1 0 0 79 A
-ATOM 640 OG1 . THR A 1 79 . 2.47371 3.32702 -7.57852 1 0 0 79 A
-ATOM 641 CG2 . THR A 1 79 . 4.42454 4.30186 -6.6019 1 0 0 79 A
-ATOM 642 N . LEU A 1 80 . 0.641827 3.65854 -3.93601 1 0 0 80 A
-ATOM 643 CA . LEU A 1 80 . -0.772 3.62802 -3.59143 1 0 0 80 A
-ATOM 644 C . LEU A 1 80 . -1.45115 4.89345 -4.09601 1 0 0 80 A
-ATOM 645 O . LEU A 1 80 . -0.893453 5.99321 -3.98719 1 0 0 80 A
-ATOM 646 CB . LEU A 1 80 . -0.919286 3.45841 -2.0578 1 0 0 80 A
-ATOM 647 CG . LEU A 1 80 . -2.35578 3.35524 -1.48479 1 0 0 80 A
-ATOM 648 CD1 . LEU A 1 80 . -2.37913 2.4327 -0.251923 1 0 0 80 A
-ATOM 649 CD2 . LEU A 1 80 . -2.91708 4.72091 -1.04719 1 0 0 80 A
-ATOM 650 N . SER A 1 81 . -2.65661 4.72935 -4.6434 1 0 0 81 A
-ATOM 651 CA . SER A 1 81 . -3.41741 5.83969 -5.18765 1 0 0 81 A
-ATOM 652 C . SER A 1 81 . -4.80965 5.87081 -4.57518 1 0 0 81 A
-ATOM 653 O . SER A 1 81 . -5.41123 4.8215 -4.31753 1 0 0 81 A
-ATOM 654 CB . SER A 1 81 . -3.48186 5.79199 -6.74559 1 0 0 81 A
-ATOM 655 OG . SER A 1 81 . -2.18938 5.65378 -7.34164 1 0 0 81 A
-ATOM 656 N . ILE A 1 82 . -5.31399 7.08355 -4.3528 1 0 0 82 A
-ATOM 657 CA . ILE A 1 82 . -6.65356 7.29952 -3.82592 1 0 0 82 A
-ATOM 658 C . ILE A 1 82 . -7.4779 8.02775 -4.87615 1 0 0 82 A
-ATOM 659 O . ILE A 1 82 . -7.03589 9.05453 -5.41507 1 0 0 82 A
-ATOM 660 CB . ILE A 1 82 . -6.615 8.0521 -2.4486 1 0 0 82 A
-ATOM 661 CG1 . ILE A 1 82 . -5.65659 7.40743 -1.41498 1 0 0 82 A
-ATOM 662 CG2 . ILE A 1 82 . -8.01534 8.33557 -1.84762 1 0 0 82 A
-ATOM 663 CD1 . ILE A 1 82 . -5.48222 8.22699 -0.122885 1 0 0 82 A
-ATOM 664 N . VAL A 1 83 . -8.66132 7.49822 -5.16762 1 0 0 83 A
-ATOM 665 CA . VAL A 1 83 . -9.5442 8.05747 -6.17995 1 0 0 83 A
-ATOM 666 C . VAL A 1 83 . -10.8338 8.50851 -5.51157 1 0 0 83 A
-ATOM 667 O . VAL A 1 83 . -11.474 7.72708 -4.78869 1 0 0 83 A
-ATOM 668 CB . VAL A 1 83 . -9.82919 7.02023 -7.32354 1 0 0 83 A
-ATOM 669 CG1 . VAL A 1 83 . -10.8391 7.51217 -8.37699 1 0 0 83 A
-ATOM 670 CG2 . VAL A 1 83 . -8.54091 6.58081 -8.04386 1 0 0 83 A
-ATOM 671 N . PHE A 1 84 . -11.2083 9.76605 -5.74179 1 0 0 84 A
-ATOM 672 CA . PHE A 1 84 . -12.4358 10.3282 -5.21048 1 0 0 84 A
-ATOM 673 C . PHE A 1 84 . -13.295 10.8675 -6.34571 1 0 0 84 A
-ATOM 674 O . PHE A 1 84 . -12.811 11.1239 -7.452 1 0 0 84 A
-ATOM 675 CB . PHE A 1 84 . -12.0962 11.4205 -4.14972 1 0 0 84 A
-ATOM 676 CG . PHE A 1 84 . -10.9269 12.2854 -4.5556 1 0 0 84 A
-ATOM 677 CD1 . PHE A 1 84 . -11.1369 13.4584 -5.3093 1 0 0 84 A
-ATOM 678 CD2 . PHE A 1 84 . -9.60696 11.9145 -4.22642 1 0 0 84 A
-ATOM 679 CE1 . PHE A 1 84 . -10.0535 14.2358 -5.73582 1 0 0 84 A
-ATOM 680 CE2 . PHE A 1 84 . -8.52117 12.6878 -4.65423 1 0 0 84 A
-ATOM 681 CZ . PHE A 1 84 . -8.74709 13.8509 -5.41164 1 0 0 84 A
-ATOM 682 N . PRO A 1 85 . -14.5843 11.0253 -6.05016 1 0 0 85 A
-ATOM 683 CA . PRO A 1 85 . -15.5142 11.544 -7.0422 1 0 0 85 A
-ATOM 684 C . PRO A 1 85 . -15.1413 12.9673 -7.44215 1 0 0 85 A
-ATOM 685 O . PRO A 1 85 . -14.5555 13.7327 -6.66027 1 0 0 85 A
-ATOM 686 CB . PRO A 1 85 . -16.8612 11.4951 -6.29748 1 0 0 85 A
-ATOM 687 CG . PRO A 1 85 . -16.637 10.4831 -5.1721 1 0 0 85 A
-ATOM 688 CD . PRO A 1 85 . -15.1495 10.6411 -4.85104 1 0 0 85 A
-ATOM 689 N . GLU A 1 86 . -15.5061 13.3263 -8.67158 1 0 0 86 A
-ATOM 690 CA . GLU A 1 86 . -15.1635 14.6415 -9.19489 1 0 0 86 A
-ATOM 691 C . GLU A 1 86 . -15.852 15.7442 -8.39098 1 0 0 86 A
-ATOM 692 O . GLU A 1 86 . -16.9864 15.5961 -7.93721 1 0 0 86 A
-ATOM 693 CB . GLU A 1 86 . -15.5435 14.704 -10.6963 1 0 0 86 A
-ATOM 694 CG . GLU A 1 86 . -15.0861 15.987 -11.4568 1 0 0 86 A
-ATOM 695 CD . GLU A 1 86 . -15.6327 16.1478 -12.8767 1 0 0 86 A
-ATOM 696 OE1 . GLU A 1 86 . -16.2889 15.1629 -13.3092 1 0 0 86 A
-ATOM 697 OE2 . GLU A 1 86 . -15.4009 17.1925 -13.5227 1 0 0 86 A
-ATOM 698 N . MET A 1 87 . -15.1395 16.8607 -8.22727 1 0 0 87 A
-ATOM 699 CA . MET A 1 87 . -15.6464 17.9963 -7.48193 1 0 0 87 A
-ATOM 700 C . MET A 1 87 . -14.9213 19.2518 -7.9554 1 0 0 87 A
-ATOM 701 O . MET A 1 87 . -14.0174 19.189 -8.79933 1 0 0 87 A
-ATOM 702 CB . MET A 1 87 . -15.4587 17.7596 -5.96166 1 0 0 87 A
-ATOM 703 CG . MET A 1 87 . -13.9973 17.7918 -5.44626 1 0 0 87 A
-ATOM 704 SD . MET A 1 87 . -13.9491 17.4302 -3.66319 1 0 0 87 A
-ATOM 705 CE . MET A 1 87 . -14.4259 15.6746 -3.71762 1 0 0 87 A
-ATOM 706 N . PRO A 1 88 . -15.3141 20.394 -7.39385 1 0 0 88 A
-ATOM 707 CA . PRO A 1 88 . -14.6951 21.6545 -7.76123 1 0 0 88 A
-ATOM 708 C . PRO A 1 88 . -13.1896 21.6227 -7.49876 1 0 0 88 A
-ATOM 709 O . PRO A 1 88 . -12.713 20.982 -6.55697 1 0 0 88 A
-ATOM 710 CB . PRO A 1 88 . -15.4134 22.659 -6.84115 1 0 0 88 A
-ATOM 711 CG . PRO A 1 88 . -16.7476 21.9864 -6.51198 1 0 0 88 A
-ATOM 712 CD . PRO A 1 88 . -16.3903 20.4991 -6.47744 1 0 0 88 A
-ATOM 713 N . GLU A 1 89 . -12.444 22.3473 -8.34775 1 0 0 89 A
-ATOM 714 CA . GLU A 1 89 . -10.9917 22.3772 -8.21603 1 0 0 89 A
-ATOM 715 C . GLU A 1 89 . -10.5704 22.846 -6.82816 1 0 0 89 A
-ATOM 716 O . GLU A 1 89 . -9.62466 22.2987 -6.24076 1 0 0 89 A
-ATOM 717 CB . GLU A 1 89 . -10.4069 23.2834 -9.32932 1 0 0 89 A
-ATOM 718 CG . GLU A 1 89 . -8.84989 23.3371 -9.40932 1 0 0 89 A
-ATOM 719 CD . GLU A 1 89 . -8.27181 24.0345 -10.6424 1 0 0 89 A
-ATOM 720 OE1 . GLU A 1 89 . -9.12538 24.4181 -11.4861 1 0 0 89 A
-ATOM 721 OE2 . GLU A 1 89 . -7.03516 24.1715 -10.7625 1 0 0 89 A
-ATOM 722 N . GLU A 1 90 . -11.2505 23.8607 -6.29245 1 0 0 90 A
-ATOM 723 CA . GLU A 1 90 . -10.9293 24.3136 -4.95728 1 0 0 90 A
-ATOM 724 C . GLU A 1 90 . -11.1243 23.2409 -3.8957 1 0 0 90 A
-ATOM 725 O . GLU A 1 90 . -10.2971 23.1104 -2.98405 1 0 0 90 A
-ATOM 726 CB . GLU A 1 90 . -11.7869 25.5714 -4.66568 1 0 0 90 A
-ATOM 727 CG . GLU A 1 90 . -11.3297 26.8817 -5.37824 1 0 0 90 A
-ATOM 728 CD . GLU A 1 90 . -10.0111 27.4807 -4.88488 1 0 0 90 A
-ATOM 729 OE1 . GLU A 1 90 . -9.68646 27.1586 -3.7108 1 0 0 90 A
-ATOM 730 OE2 . GLU A 1 90 . -9.35259 28.2418 -5.62616 1 0 0 90 A
-ATOM 731 N . GLU A 1 91 . -12.2043 22.4692 -4.01281 1 0 0 91 A
-ATOM 732 CA . GLU A 1 91 . -12.4225 21.3864 -3.06088 1 0 0 91 A
-ATOM 733 C . GLU A 1 91 . -11.3919 20.276 -3.23117 1 0 0 91 A
-ATOM 734 O . GLU A 1 91 . -10.9331 19.6901 -2.23658 1 0 0 91 A
-ATOM 735 CB . GLU A 1 91 . -13.8692 20.8571 -3.23231 1 0 0 91 A
-ATOM 736 CG . GLU A 1 91 . -15.005 21.8693 -2.88728 1 0 0 91 A
-ATOM 737 CD . GLU A 1 91 . -15.1202 22.2611 -1.41279 1 0 0 91 A
-ATOM 738 OE1 . GLU A 1 91 . -14.5359 21.4865 -0.608973 1 0 0 91 A
-ATOM 739 OE2 . GLU A 1 91 . -15.773 23.2748 -1.08307 1 0 0 91 A
-ATOM 740 N . LEU A 1 92 . -11.0333 19.9557 -4.47904 1 0 0 92 A
-ATOM 741 CA . LEU A 1 92 . -10.0273 18.9227 -4.70268 1 0 0 92 A
-ATOM 742 C . LEU A 1 92 . -8.66774 19.3387 -4.15305 1 0 0 92 A
-ATOM 743 O . LEU A 1 92 . -7.95911 18.5172 -3.55344 1 0 0 92 A
-ATOM 744 CB . LEU A 1 92 . -9.97459 18.6185 -6.2216 1 0 0 92 A
-ATOM 745 CG . LEU A 1 92 . -9.09126 17.4311 -6.68245 1 0 0 92 A
-ATOM 746 CD1 . LEU A 1 92 . -9.47295 16.1482 -5.92087 1 0 0 92 A
-ATOM 747 CD2 . LEU A 1 92 . -9.2386 17.1336 -8.18623 1 0 0 92 A
-ATOM 748 N . LYS A 1 93 . -8.29235 20.6109 -4.34175 1 0 0 93 A
-ATOM 749 CA . LYS A 1 93 . -7.02953 21.0802 -3.7916 1 0 0 93 A
-ATOM 750 C . LYS A 1 93 . -7.03844 21.041 -2.26844 1 0 0 93 A
-ATOM 751 O . LYS A 1 93 . -6.02558 20.6904 -1.64316 1 0 0 93 A
-ATOM 752 CB . LYS A 1 93 . -6.7406 22.5188 -4.32129 1 0 0 93 A
-ATOM 753 CG . LYS A 1 93 . -6.17145 22.6043 -5.7497 1 0 0 93 A
-ATOM 754 CD . LYS A 1 93 . -5.73585 24.0269 -6.14716 1 0 0 93 A
-ATOM 755 CE . LYS A 1 93 . -5.16694 24.0855 -7.56624 1 0 0 93 A
-ATOM 756 NZ . LYS A 1 93 . -4.60186 25.4045 -7.83547 1 0 0 93 A
-ATOM 757 N . ARG A 1 94 . -8.1733 21.4008 -1.65783 1 0 0 94 A
-ATOM 758 CA . ARG A 1 94 . -8.26431 21.3533 -0.20528 1 0 0 94 A
-ATOM 759 C . ARG A 1 94 . -8.16379 19.9171 0.307655 1 0 0 94 A
-ATOM 760 O . ARG A 1 94 . -7.48839 19.6582 1.31432 1 0 0 94 A
-ATOM 761 CB . ARG A 1 94 . -9.57135 22.0602 0.26952 1 0 0 94 A
-ATOM 762 CG . ARG A 1 94 . -9.70505 22.2835 1.79752 1 0 0 94 A
-ATOM 763 CD . ARG A 1 94 . -10.8914 23.1798 2.19838 1 0 0 94 A
-ATOM 764 NE . ARG A 1 94 . -12.1451 22.4339 1.8494 1 0 0 94 A
-ATOM 765 CZ . ARG A 1 94 . -12.6833 21.4977 2.64281 1 0 0 94 A
-ATOM 766 NH1 . ARG A 1 94 . -12.071 21.2234 3.79116 1 0 0 94 A
-ATOM 767 NH2 . ARG A 1 94 . -13.8105 20.866 2.32776 1 0 0 94 A
-ATOM 768 N . PHE A 1 95 . -8.82532 18.9783 -0.374816 1 0 0 95 A
-ATOM 769 CA . PHE A 1 95 . -8.74791 17.5863 0.0402968 1 0 0 95 A
-ATOM 770 C . PHE A 1 95 . -7.3374 17.0395 -0.132515 1 0 0 95 A
-ATOM 771 O . PHE A 1 95 . -6.82888 16.3123 0.736966 1 0 0 95 A
-ATOM 772 CB . PHE A 1 95 . -9.80815 16.7606 -0.752048 1 0 0 95 A
-ATOM 773 CG . PHE A 1 95 . -9.60628 15.2701 -0.619157 1 0 0 95 A
-ATOM 774 CD1 . PHE A 1 95 . -9.87143 14.6222 0.604783 1 0 0 95 A
-ATOM 775 CD2 . PHE A 1 95 . -9.11063 14.5104 -1.69866 1 0 0 95 A
-ATOM 776 CE1 . PHE A 1 95 . -9.63456 13.2502 0.751554 1 0 0 95 A
-ATOM 777 CE2 . PHE A 1 95 . -8.86951 13.139 -1.5542 1 0 0 95 A
-ATOM 778 CZ . PHE A 1 95 . -9.13206 12.5091 -0.324633 1 0 0 95 A
-ATOM 779 N . ILE A 1 96 . -6.67912 17.3899 -1.24251 1 0 0 96 A
-ATOM 780 CA . ILE A 1 96 . -5.31224 16.9286 -1.45717 1 0 0 96 A
-ATOM 781 C . ILE A 1 96 . -4.36365 17.5068 -0.412934 1 0 0 96 A
-ATOM 782 O . ILE A 1 96 . -3.46668 16.8046 0.0792346 1 0 0 96 A
-ATOM 783 CB . ILE A 1 96 . -4.86559 17.2417 -2.92937 1 0 0 96 A
-ATOM 784 CG1 . ILE A 1 96 . -5.61007 16.3998 -3.99683 1 0 0 96 A
-ATOM 785 CG2 . ILE A 1 96 . -3.32984 17.2218 -3.13815 1 0 0 96 A
-ATOM 786 CD1 . ILE A 1 96 . -5.24923 14.9028 -3.98055 1 0 0 96 A
-ATOM 787 N . ASP A 1 97 . -4.54789 18.7814 -0.0611409 1 0 0 97 A
-ATOM 788 CA . ASP A 1 97 . -3.68694 19.39 0.94611 1 0 0 97 A
-ATOM 789 C . ASP A 1 97 . -3.92187 18.7817 2.32104 1 0 0 97 A
-ATOM 790 O . ASP A 1 97 . -2.97209 18.6259 3.10336 1 0 0 97 A
-ATOM 791 CB . ASP A 1 97 . -3.90376 20.9337 0.887 1 0 0 97 A
-ATOM 792 CG . ASP A 1 97 . -3.22995 21.5726 -0.316431 1 0 0 97 A
-ATOM 793 OD1 . ASP A 1 97 . -2.18683 21.0288 -0.767924 1 0 0 97 A
-ATOM 794 OD2 . ASP A 1 97 . -3.63325 22.6991 -0.678137 1 0 0 97 A
-ATOM 795 N . GLU A 1 98 . -5.17229 18.4242 2.62808 1 0 0 98 A
-ATOM 796 CA . GLU A 1 98 . -5.44945 17.7759 3.90139 1 0 0 98 A
-ATOM 797 C . GLU A 1 98 . -4.8129 16.3935 3.96361 1 0 0 98 A
-ATOM 798 O . GLU A 1 98 . -4.26202 15.9964 5.00459 1 0 0 98 A
-ATOM 799 CB . GLU A 1 98 . -6.98407 17.7104 4.10916 1 0 0 98 A
-ATOM 800 CG . GLU A 1 98 . -7.45603 17.2536 5.52414 1 0 0 98 A
-ATOM 801 CD . GLU A 1 98 . -8.96289 17.3291 5.77822 1 0 0 98 A
-ATOM 802 OE1 . GLU A 1 98 . -9.65121 17.7013 4.79067 1 0 0 98 A
-ATOM 803 OE2 . GLU A 1 98 . -9.4229 17.0486 6.90615 1 0 0 98 A
-ATOM 804 N . ILE A 1 99 . -4.86966 15.6435 2.85466 1 0 0 99 A
-ATOM 805 CA . ILE A 1 99 . -4.23233 14.3303 2.82824 1 0 0 99 A
-ATOM 806 C . ILE A 1 99 . -2.71407 14.4558 2.91091 1 0 0 99 A
-ATOM 807 O . ILE A 1 99 . -2.05532 13.6889 3.6235 1 0 0 99 A
-ATOM 808 CB . ILE A 1 99 . -4.71182 13.5238 1.56946 1 0 0 99 A
-ATOM 809 CG1 . ILE A 1 99 . -6.22249 13.1776 1.59183 1 0 0 99 A
-ATOM 810 CG2 . ILE A 1 99 . -3.8352 12.2879 1.24328 1 0 0 99 A
-ATOM 811 CD1 . ILE A 1 99 . -6.68096 12.2883 0.421134 1 0 0 99 A
-ATOM 812 N . LYS A 1 100 . -2.141 15.4236 2.18485 1 0 0 100 A
-ATOM 813 CA . LYS A 1 100 . -0.698335 15.619 2.25194 1 0 0 100 A
-ATOM 814 C . LYS A 1 100 . -0.256626 16.0089 3.65834 1 0 0 100 A
-ATOM 815 O . LYS A 1 100 . 0.802011 15.5639 4.12941 1 0 0 100 A
-ATOM 816 CB . LYS A 1 100 . -0.274793 16.6948 1.20459 1 0 0 100 A
-ATOM 817 CG . LYS A 1 100 . -0.220816 16.219 -0.259096 1 0 0 100 A
-ATOM 818 CD . LYS A 1 100 . 0.0899687 17.351 -1.25592 1 0 0 100 A
-ATOM 819 CE . LYS A 1 100 . 0.169866 16.8491 -2.69904 1 0 0 100 A
-ATOM 820 NZ . LYS A 1 100 . 0.437832 17.9575 -3.61077 1 0 0 100 A
-ATOM 821 N . THR A 1 101 . -1.05554 16.8374 4.34238 1 0 0 101 A
-ATOM 822 CA . THR A 1 101 . -0.701645 17.2293 5.70029 1 0 0 101 A
-ATOM 823 C . THR A 1 101 . -0.791472 16.0481 6.66097 1 0 0 101 A
-ATOM 824 O . THR A 1 101 . 0.0382432 15.914 7.57186 1 0 0 101 A
-ATOM 825 CB . THR A 1 101 . -1.53617 18.4686 6.18258 1 0 0 101 A
-ATOM 826 OG1 . THR A 1 101 . -1.20106 19.6578 5.46254 1 0 0 101 A
-ATOM 827 CG2 . THR A 1 101 . -1.45096 18.7919 7.6756 1 0 0 101 A
-ATOM 828 N . LEU A 1 102 . -1.78927 15.1801 6.46934 1 0 0 102 A
-ATOM 829 CA . LEU A 1 102 . -1.88663 13.9874 7.29879 1 0 0 102 A
-ATOM 830 C . LEU A 1 102 . -0.717762 13.0423 7.04499 1 0 0 102 A
-ATOM 831 O . LEU A 1 102 . -0.179879 12.4359 7.98578 1 0 0 102 A
-ATOM 832 CB . LEU A 1 102 . -3.25412 13.3114 7.02408 1 0 0 102 A
-ATOM 833 CG . LEU A 1 102 . -3.54011 11.963 7.73303 1 0 0 102 A
-ATOM 834 CD1 . LEU A 1 102 . -5.01612 11.8839 8.16513 1 0 0 102 A
-ATOM 835 CD2 . LEU A 1 102 . -3.26069 10.7486 6.82824 1 0 0 102 A
-ATOM 836 N . ILE A 1 103 . -0.313215 12.8967 5.77964 1 0 0 103 A
-ATOM 837 CA . ILE A 1 103 . 0.815614 12.0333 5.46386 1 0 0 103 A
-ATOM 838 C . ILE A 1 103 . 2.10922 12.5683 6.06604 1 0 0 103 A
-ATOM 839 O . ILE A 1 103 . 2.9301 11.7945 6.58616 1 0 0 103 A
-ATOM 840 CB . ILE A 1 103 . 0.906504 11.8187 3.91124 1 0 0 103 A
-ATOM 841 CG1 . ILE A 1 103 . -0.260294 10.9797 3.33062 1 0 0 103 A
-ATOM 842 CG2 . ILE A 1 103 . 2.28806 11.3098 3.42668 1 0 0 103 A
-ATOM 843 CD1 . ILE A 1 103 . -0.29398 10.9302 1.79178 1 0 0 103 A
-ATOM 844 N . ASN A 1 104 . 2.30669 13.8922 6.01111 1 0 0 104 A
-ATOM 845 CA . ASN A 1 104 . 3.51618 14.4686 6.58137 1 0 0 104 A
-ATOM 846 C . ASN A 1 104 . 3.54295 14.3107 8.09733 1 0 0 104 A
-ATOM 847 O . ASN A 1 104 . 4.60896 14.0599 8.6814 1 0 0 104 A
-ATOM 848 CB . ASN A 1 104 . 3.59058 15.9573 6.12112 1 0 0 104 A
-ATOM 849 CG . ASN A 1 104 . 3.98553 16.144 4.65481 1 0 0 104 A
-ATOM 850 OD1 . ASN A 1 104 . 4.77428 15.3945 4.08112 1 0 0 104 A
-ATOM 851 ND2 . ASN A 1 104 . 3.42996 17.197 4.01843 1 0 0 104 A
-ATOM 852 N . LYS A 1 105 . 2.3836 14.4578 8.75041 1 0 0 105 A
-ATOM 853 CA . LYS A 1 105 . 2.33196 14.2484 10.1892 1 0 0 105 A
-ATOM 854 C . LYS A 1 105 . 2.62111 12.792 10.5492 1 0 0 105 A
-ATOM 855 O . LYS A 1 105 . 3.32373 12.5203 11.534 1 0 0 105 A
-ATOM 856 CB . LYS A 1 105 . 0.938793 14.7006 10.726 1 0 0 105 A
-ATOM 857 CG . LYS A 1 105 . 0.682553 14.4433 12.2226 1 0 0 105 A
-ATOM 858 CD . LYS A 1 105 . -0.776238 14.7011 12.6435 1 0 0 105 A
-ATOM 859 CE . LYS A 1 105 . -1.02021 14.3827 14.12 1 0 0 105 A
-ATOM 860 NZ . LYS A 1 105 . -2.42595 14.5829 14.4597 1 0 0 105 A
-ATOM 861 N . VAL A 1 106 . 2.08823 11.8501 9.76886 1 0 0 106 A
-ATOM 862 CA . VAL A 1 106 . 2.35959 10.4426 10.0356 1 0 0 106 A
-ATOM 863 C . VAL A 1 106 . 3.83092 10.1176 9.82478 1 0 0 106 A
-ATOM 864 O . VAL A 1 106 . 4.4157 9.33822 10.5908 1 0 0 106 A
-ATOM 865 CB . VAL A 1 106 . 1.44324 9.53905 9.13629 1 0 0 106 A
-ATOM 866 CG1 . VAL A 1 106 . 1.71045 8.03002 9.28798 1 0 0 106 A
-ATOM 867 CG2 . VAL A 1 106 . -0.0539424 9.80136 9.38377 1 0 0 106 A
-ATOM 868 N . ILE A 1 107 . 4.44188 10.7005 8.78573 1 0 0 107 A
-ATOM 869 CA . ILE A 1 107 . 5.86038 10.4659 8.5525 1 0 0 107 A
-ATOM 870 C . ILE A 1 107 . 6.71206 11.0479 9.67799 1 0 0 107 A
-ATOM 871 O . ILE A 1 107 . 7.72161 10.4472 10.0767 1 0 0 107 A
-ATOM 872 CB . ILE A 1 107 . 6.26621 11.0072 7.13575 1 0 0 107 A
-ATOM 873 CG1 . ILE A 1 107 . 5.67829 10.1813 5.96328 1 0 0 107 A
-ATOM 874 CG2 . ILE A 1 107 . 7.78722 11.2548 6.96935 1 0 0 107 A
-ATOM 875 CD1 . ILE A 1 107 . 6.01939 10.7385 4.56874 1 0 0 107 A
-ATOM 876 N . ASP A 1 108 . 6.30547 12.2093 10.2086 1 0 0 108 A
-ATOM 877 CA . ASP A 1 108 . 7.03879 12.7873 11.3262 1 0 0 108 A
-ATOM 878 C . ASP A 1 108 . 6.94459 11.902 12.5595 1 0 0 108 A
-ATOM 879 O . ASP A 1 108 . 7.93844 11.7093 13.2706 1 0 0 108 A
-ATOM 880 CB . ASP A 1 108 . 6.51632 14.241 11.5442 1 0 0 108 A
-ATOM 881 CG . ASP A 1 108 . 6.98455 15.1986 10.4606 1 0 0 108 A
-ATOM 882 OD1 . ASP A 1 108 . 8.0016 14.8797 9.78872 1 0 0 108 A
-ATOM 883 OD2 . ASP A 1 108 . 6.45493 16.33 10.4166 1 0 0 108 A
-ATOM 884 N . GLU A 1 109 . 5.75408 11.3549 12.8251 1 0 0 109 A
-ATOM 885 CA . GLU A 1 109 . 5.6019 10.4612 13.9655 1 0 0 109 A
-ATOM 886 C . GLU A 1 109 . 6.39433 9.17574 13.7632 1 0 0 109 A
-ATOM 887 O . GLU A 1 109 . 6.92906 8.61728 14.7329 1 0 0 109 A
-ATOM 888 CB . GLU A 1 109 . 4.09418 10.1767 14.1855 1 0 0 109 A
-ATOM 889 CG . GLU A 1 109 . 3.2312 11.4016 14.6197 1 0 0 109 A
-ATOM 890 CD . GLU A 1 109 . 1.73343 11.1347 14.7821 1 0 0 109 A
-ATOM 891 OE1 . GLU A 1 109 . 1.35884 9.97999 14.4446 1 0 0 109 A
-ATOM 892 OE2 . GLU A 1 109 . 0.978688 12.0365 15.2059 1 0 0 109 A
-ATOM 893 N . TYR A 1 110 . 6.48487 8.6961 12.5221 1 0 0 110 A
-ATOM 894 CA . TYR A 1 110 . 7.25444 7.48536 12.2662 1 0 0 110 A
-ATOM 895 C . TYR A 1 110 . 8.74826 7.72307 12.4614 1 0 0 110 A
-ATOM 896 O . TYR A 1 110 . 9.46701 6.81981 12.9148 1 0 0 110 A
-ATOM 897 CB . TYR A 1 110 . 6.91812 6.97225 10.8319 1 0 0 110 A
-ATOM 898 CG . TYR A 1 110 . 6.96945 5.46742 10.7181 1 0 0 110 A
-ATOM 899 CD1 . TYR A 1 110 . 6.27766 4.65615 11.6408 1 0 0 110 A
-ATOM 900 CD2 . TYR A 1 110 . 7.7693 4.85195 9.73343 1 0 0 110 A
-ATOM 901 CE1 . TYR A 1 110 . 6.40197 3.26256 11.5913 1 0 0 110 A
-ATOM 902 CE2 . TYR A 1 110 . 7.8953 3.45838 9.68754 1 0 0 110 A
-ATOM 903 CZ . TYR A 1 110 . 7.21332 2.6643 10.6198 1 0 0 110 A
-ATOM 904 OH . TYR A 1 110 . 7.35703 1.26181 10.5983 1 0 0 110 A
-ATOM 905 N . LYS A 1 111 . 9.22504 8.92683 12.1339 1 0 0 111 A
-ATOM 906 CA . LYS A 1 111 . 10.6381 9.22579 12.3365 1 0 0 111 A
-ATOM 907 C . LYS A 1 111 . 10.9885 9.35236 13.8079 1 0 0 111 A
-ATOM 908 O . LYS A 1 111 . 12.1441 9.12439 14.1886 1 0 0 111 A
-ATOM 909 CB . LYS A 1 111 . 10.9963 10.5264 11.5532 1 0 0 111 A
-ATOM 910 CG . LYS A 1 111 . 10.8367 10.4518 10.0233 1 0 0 111 A
-ATOM 911 CD . LYS A 1 111 . 11.3693 11.6993 9.29418 1 0 0 111 A
-ATOM 912 CE . LYS A 1 111 . 11.3568 11.5333 7.77326 1 0 0 111 A
-ATOM 913 NZ . LYS A 1 111 . 12.0276 12.6601 7.13139 1 0 0 111 A
-ATOM 914 N . SER A 1 112 . 10.0129 9.71058 14.6502 1 0 0 112 A
-ATOM 915 CA . SER A 1 112 . 10.2613 9.80263 16.0795 1 0 0 112 A
-ATOM 916 C . SER A 1 112 . 10.1519 8.4578 16.7916 1 0 0 112 A
-ATOM 917 O . SER A 1 112 . 10.4967 8.36468 17.9802 1 0 0 112 A
-ATOM 918 CB . SER A 1 112 . 9.319 10.866 16.7236 1 0 0 112 A
-ATOM 919 OG . SER A 1 112 . 7.94313 10.4799 16.6708 1 0 0 112 A
-ATOM 920 N . LEU A 1 113 . 9.67768 7.42252 16.1046 1 0 0 113 A
-ATOM 921 CA . LEU A 1 113 . 9.57695 6.10384 16.6968 1 0 0 113 A
-ATOM 922 C . LEU A 1 113 . 10.9301 5.4132 16.759 1 0 0 113 A
-ATOM 923 O . LEU A 1 113 . 11.8093 5.62866 15.9154 1 0 0 113 A
-ATOM 924 CB . LEU A 1 113 . 8.54143 5.28662 15.883 1 0 0 113 A
-ATOM 925 CG . LEU A 1 113 . 7.04174 5.60747 16.1077 1 0 0 113 A
-ATOM 926 CD1 . LEU A 1 113 . 6.16121 4.73421 15.1946 1 0 0 113 A
-ATOM 927 CD2 . LEU A 1 113 . 6.59363 5.35207 17.5587 1 0 0 113 A
-ATOM 928 N . PRO A 1 114 . 11.094 4.57412 17.7744 1 0 0 114 A
-ATOM 929 CA . PRO A 1 114 . 12.3523 3.8558 17.9464 1 0 0 114 A
-ATOM 930 C . PRO A 1 114 . 12.5861 2.91195 16.7761 1 0 0 114 A
-ATOM 931 O . PRO A 1 114 . 11.6405 2.38753 16.1754 1 0 0 114 A
-ATOM 932 CB . PRO A 1 114 . 12.1307 3.08808 19.2629 1 0 0 114 A
-ATOM 933 CG . PRO A 1 114 . 11.1364 3.95039 20.0432 1 0 0 114 A
-ATOM 934 CD . PRO A 1 114 . 10.2509 4.5432 18.9453 1 0 0 114 A
-ATOM 935 N . LYS A 1 115 . 13.8639 2.69853 16.4635 1 0 0 115 A
-ATOM 936 CA . LYS A 1 115 . 14.2237 1.85592 15.3319 1 0 0 115 A
-ATOM 937 C . LYS A 1 115 . 13.7712 0.414835 15.5352 1 0 0 115 A
-ATOM 938 O . LYS A 1 115 . 13.2803 -0.2293 14.5978 1 0 0 115 A
-ATOM 939 CB . LYS A 1 115 . 15.7645 1.94079 15.1032 1 0 0 115 A
-ATOM 940 CG . LYS A 1 115 . 16.2948 1.22675 13.846 1 0 0 115 A
-ATOM 941 CD . LYS A 1 115 . 17.7949 1.46907 13.5956 1 0 0 115 A
-ATOM 942 CE . LYS A 1 115 . 18.2942 0.766266 12.3316 1 0 0 115 A
-ATOM 943 NZ . LYS A 1 115 . 19.6884 1.11319 12.0717 1 0 0 115 A
-ATOM 944 N . GLU A 1 116 . 13.9205 -0.107197 16.7607 1 0 0 116 A
-ATOM 945 CA . GLU A 1 116 . 13.4906 -1.47592 17.0259 1 0 0 116 A
-ATOM 946 C . GLU A 1 116 . 11.9824 -1.63489 16.9019 1 0 0 116 A
-ATOM 947 O . GLU A 1 116 . 11.506 -2.66545 16.3879 1 0 0 116 A
-ATOM 948 CB . GLU A 1 116 . 13.9965 -1.88468 18.4329 1 0 0 116 A
-ATOM 949 CG . GLU A 1 116 . 15.5381 -2.08263 18.5661 1 0 0 116 A
-ATOM 950 CD . GLU A 1 116 . 16.0489 -2.39169 19.9748 1 0 0 116 A
-ATOM 951 OE1 . GLU A 1 116 . 15.1937 -2.2629 20.8912 1 0 0 116 A
-ATOM 952 OE2 . GLU A 1 116 . 17.2406 -2.72578 20.1499 1 0 0 116 A
-ATOM 953 N . GLU A 1 117 . 11.2095 -0.634885 17.3411 1 0 0 117 A
-ATOM 954 CA . GLU A 1 117 . 9.76461 -0.694144 17.1854 1 0 0 117 A
-ATOM 955 C . GLU A 1 117 . 9.35868 -0.592487 15.7241 1 0 0 117 A
-ATOM 956 O . GLU A 1 117 . 8.4063 -1.26498 15.2941 1 0 0 117 A
-ATOM 957 CB . GLU A 1 117 . 9.12451 0.431033 18.0379 1 0 0 117 A
-ATOM 958 CG . GLU A 1 117 . 9.35714 0.3288 19.577 1 0 0 117 A
-ATOM 959 CD . GLU A 1 117 . 8.58475 1.33397 20.4337 1 0 0 117 A
-ATOM 960 OE1 . GLU A 1 117 . 7.83492 2.11613 19.7906 1 0 0 117 A
-ATOM 961 OE2 . GLU A 1 117 . 8.7369 1.34711 21.6744 1 0 0 117 A
-ATOM 962 N . ARG A 1 118 . 10.0648 0.235627 14.9501 1 0 0 118 A
-ATOM 963 CA . ARG A 1 118 . 9.74386 0.350125 13.5356 1 0 0 118 A
-ATOM 964 C . ARG A 1 118 . 10.0412 -0.946666 12.7934 1 0 0 118 A
-ATOM 965 O . ARG A 1 118 . 9.28842 -1.34109 11.8869 1 0 0 118 A
-ATOM 966 CB . ARG A 1 118 . 10.4954 1.5699 12.9185 1 0 0 118 A
-ATOM 967 CG . ARG A 1 118 . 10.1479 2.95566 13.5196 1 0 0 118 A
-ATOM 968 CD . ARG A 1 118 . 11.055 4.09813 13.0262 1 0 0 118 A
-ATOM 969 NE . ARG A 1 118 . 10.5868 5.35453 13.6986 1 0 0 118 A
-ATOM 970 CZ . ARG A 1 118 . 11.1421 6.55343 13.4755 1 0 0 118 A
-ATOM 971 NH1 . ARG A 1 118 . 12.155 6.62357 12.6164 1 0 0 118 A
-ATOM 972 NH2 . ARG A 1 118 . 10.6953 7.6604 14.0619 1 0 0 118 A
-ATOM 973 N . GLN A 1 119 . 11.1342 -1.61885 13.1605 1 0 0 119 A
-ATOM 974 CA . GLN A 1 119 . 11.4593 -2.87628 12.5057 1 0 0 119 A
-ATOM 975 C . GLN A 1 119 . 10.4388 -3.96107 12.8415 1 0 0 119 A
-ATOM 976 O . GLN A 1 119 . 10.037 -4.73389 11.9575 1 0 0 119 A
-ATOM 977 CB . GLN A 1 119 . 12.895 -3.29474 12.9133 1 0 0 119 A
-ATOM 978 CG . GLN A 1 119 . 14.0245 -2.33543 12.459 1 0 0 119 A
-ATOM 979 CD . GLN A 1 119 . 15.4187 -2.92293 12.6871 1 0 0 119 A
-ATOM 980 OE1 . GLN A 1 119 . 15.6004 -3.86986 13.4508 1 0 0 119 A
-ATOM 981 NE2 . GLN A 1 119 . 16.4372 -2.35857 12.004 1 0 0 119 A
-ATOM 982 N . LYS A 1 120 . 9.98944 -4.01659 14.1009 1 0 0 120 A
-ATOM 983 CA . LYS A 1 120 . 8.97293 -4.99326 14.4685 1 0 0 120 A
-ATOM 984 C . LYS A 1 120 . 7.66806 -4.73495 13.7272 1 0 0 120 A
-ATOM 985 O . LYS A 1 120 . 6.99132 -5.68121 13.2958 1 0 0 120 A
-ATOM 986 CB . LYS A 1 120 . 8.7636 -4.96502 16.0141 1 0 0 120 A
-ATOM 987 CG . LYS A 1 120 . 9.89071 -5.59447 16.8538 1 0 0 120 A
-ATOM 988 CD . LYS A 1 120 . 9.56917 -5.65177 18.3587 1 0 0 120 A
-ATOM 989 CE . LYS A 1 120 . 10.6712 -6.34469 19.1626 1 0 0 120 A
-ATOM 990 NZ . LYS A 1 120 . 10.2734 -6.48229 20.5606 1 0 0 120 A
-ATOM 991 N . GLU A 1 121 . 7.28798 -3.46249 13.5855 1 0 0 121 A
-ATOM 992 CA . GLU A 1 121 . 6.05724 -3.14244 12.875 1 0 0 121 A
-ATOM 993 C . GLU A 1 121 . 6.15477 -3.48652 11.3938 1 0 0 121 A
-ATOM 994 O . GLU A 1 121 . 5.16986 -3.94945 10.7978 1 0 0 121 A
-ATOM 995 CB . GLU A 1 121 . 5.735 -1.64237 13.0951 1 0 0 121 A
-ATOM 996 CG . GLU A 1 121 . 4.33278 -1.17201 12.599 1 0 0 121 A
-ATOM 997 CD . GLU A 1 121 . 4.03117 0.317589 12.7751 1 0 0 121 A
-ATOM 998 OE1 . GLU A 1 121 . 4.96125 0.991361 13.2934 1 0 0 121 A
-ATOM 999 OE2 . GLU A 1 121 . 2.92115 0.777157 12.4299 1 0 0 121 A
-ATOM 1000 N . ALA A 1 122 . 7.33032 -3.27724 10.7932 1 0 0 122 A
-ATOM 1001 CA . ALA A 1 122 . 7.48045 -3.58968 9.37785 1 0 0 122 A
-ATOM 1002 C . ALA A 1 122 . 7.44491 -5.09031 9.13591 1 0 0 122 A
-ATOM 1003 O . ALA A 1 122 . 6.85138 -5.55958 8.14813 1 0 0 122 A
-ATOM 1004 CB . ALA A 1 122 . 8.78903 -2.96692 8.82804 1 0 0 122 A
-ATOM 1005 N . LEU A 1 123 . 8.08086 -5.87154 10.0174 1 0 0 123 A
-ATOM 1006 CA . LEU A 1 123 . 8.05131 -7.31772 9.86069 1 0 0 123 A
-ATOM 1007 C . LEU A 1 123 . 6.64539 -7.87273 10.0248 1 0 0 123 A
-ATOM 1008 O . LEU A 1 123 . 6.22312 -8.7628 9.25983 1 0 0 123 A
-ATOM 1009 CB . LEU A 1 123 . 9.0442 -7.93279 10.8797 1 0 0 123 A
-ATOM 1010 CG . LEU A 1 123 . 10.5582 -7.7648 10.5931 1 0 0 123 A
-ATOM 1011 CD1 . LEU A 1 123 . 11.3899 -8.21597 11.8081 1 0 0 123 A
-ATOM 1012 CD2 . LEU A 1 123 . 11.0262 -8.59398 9.38273 1 0 0 123 A
-ATOM 1013 N . GLU A 1 124 . 5.89868 -7.35686 11.0092 1 0 0 124 A
-ATOM 1014 CA . GLU A 1 124 . 4.52939 -7.81805 11.1971 1 0 0 124 A
-ATOM 1015 C . GLU A 1 124 . 3.65941 -7.49665 9.99311 1 0 0 124 A
-ATOM 1016 O . GLU A 1 124 . 2.81708 -8.31798 9.5882 1 0 0 124 A
-ATOM 1017 CB . GLU A 1 124 . 3.96712 -7.18597 12.4959 1 0 0 124 A
-ATOM 1018 CG . GLU A 1 124 . 4.61719 -7.68038 13.825 1 0 0 124 A
-ATOM 1019 CD . GLU A 1 124 . 4.06957 -7.04986 15.107 1 0 0 124 A
-ATOM 1020 OE1 . GLU A 1 124 . 3.1693 -6.18572 14.9327 1 0 0 124 A
-ATOM 1021 OE2 . GLU A 1 124 . 4.52931 -7.39014 16.2184 1 0 0 124 A
-ATOM 1022 N . LEU A 1 125 . 3.85522 -6.30979 9.40053 1 0 0 125 A
-ATOM 1023 CA . LEU A 1 125 . 3.0921 -5.96416 8.20934 1 0 0 125 A
-ATOM 1024 C . LEU A 1 125 . 3.47028 -6.84121 7.02532 1 0 0 125 A
-ATOM 1025 O . LEU A 1 125 . 2.60016 -7.23151 6.22856 1 0 0 125 A
-ATOM 1026 CB . LEU A 1 125 . 3.314 -4.45865 7.9149 1 0 0 125 A
-ATOM 1027 CG . LEU A 1 125 . 2.6396 -3.43736 8.86602 1 0 0 125 A
-ATOM 1028 CD1 . LEU A 1 125 . 3.28093 -2.0465 8.70538 1 0 0 125 A
-ATOM 1029 CD2 . LEU A 1 125 . 1.13187 -3.28214 8.59352 1 0 0 125 A
-ATOM 1030 N . ILE A 1 126 . 4.76214 -7.17771 6.90056 1 0 0 126 A
-ATOM 1031 CA . ILE A 1 126 . 5.18155 -8.06054 5.81404 1 0 0 126 A
-ATOM 1032 C . ILE A 1 126 . 4.62123 -9.46738 5.97326 1 0 0 126 A
-ATOM 1033 O . ILE A 1 126 . 4.18506 -10.0777 4.98909 1 0 0 126 A
-ATOM 1034 CB . ILE A 1 126 . 6.74662 -8.03562 5.69225 1 0 0 126 A
-ATOM 1035 CG1 . ILE A 1 126 . 7.4735 -8.70302 6.88754 1 0 0 126 A
-ATOM 1036 CG2 . ILE A 1 126 . 7.32938 -6.63775 5.36235 1 0 0 126 A
-ATOM 1037 CD1 . ILE A 1 126 . 9.00685 -8.74011 6.74949 1 0 0 126 A
-ATOM 1038 N . LYS A 1 127 . 4.6228 -9.99313 7.20679 1 0 0 127 A
-ATOM 1039 CA . LYS A 1 127 . 4.09728 -11.3275 7.43406 1 0 0 127 A
-ATOM 1040 C . LYS A 1 127 . 2.59718 -11.3997 7.15408 1 0 0 127 A
-ATOM 1041 O . LYS A 1 127 . 2.10835 -12.3897 6.59423 1 0 0 127 A
-ATOM 1042 CB . LYS A 1 127 . 4.42388 -11.7614 8.89647 1 0 0 127 A
-ATOM 1043 CG . LYS A 1 127 . 5.91337 -11.9989 9.20729 1 0 0 127 A
-ATOM 1044 CD . LYS A 1 127 . 6.18014 -12.3375 10.6857 1 0 0 127 A
-ATOM 1045 CE . LYS A 1 127 . 7.67405 -12.4531 10.9952 1 0 0 127 A
-ATOM 1046 NZ . LYS A 1 127 . 7.88036 -12.7607 12.4074 1 0 0 127 A
-ATOM 1047 N . GLU A 1 128 . 1.85561 -10.357 7.55574 1 0 0 128 A
-ATOM 1048 CA . GLU A 1 128 . 0.42127 -10.341 7.30122 1 0 0 128 A
-ATOM 1049 C . GLU A 1 128 . 0.11282 -10.2163 5.81597 1 0 0 128 A
-ATOM 1050 O . GLU A 1 128 . -0.934524 -10.7016 5.36054 1 0 0 128 A
-ATOM 1051 CB . GLU A 1 128 . -0.212476 -9.18568 8.11738 1 0 0 128 A
-ATOM 1052 CG . GLU A 1 128 . -0.0564394 -9.28698 9.66625 1 0 0 128 A
-ATOM 1053 CD . GLU A 1 128 . -0.622288 -8.1138 10.469 1 0 0 128 A
-ATOM 1054 OE1 . GLU A 1 128 . -1.20145 -7.22965 9.7831 1 0 0 128 A
-ATOM 1055 OE2 . GLU A 1 128 . -0.477229 -8.07589 11.71 1 0 0 128 A
-ATOM 1056 N . LEU A 1 129 . 1.01439 -9.606 5.04307 1 0 0 129 A
-ATOM 1057 CA . LEU A 1 129 . 0.777928 -9.42565 3.61517 1 0 0 129 A
-ATOM 1058 C . LEU A 1 129 . 1.23915 -10.6208 2.79298 1 0 0 129 A
-ATOM 1059 O . LEU A 1 129 . 0.606623 -10.9638 1.78021 1 0 0 129 A
-ATOM 1060 CB . LEU A 1 129 . 1.482 -8.11388 3.18387 1 0 0 129 A
-ATOM 1061 CG . LEU A 1 129 . 0.832005 -6.77655 3.62154 1 0 0 129 A
-ATOM 1062 CD1 . LEU A 1 129 . 1.70722 -5.58531 3.18962 1 0 0 129 A
-ATOM 1063 CD2 . LEU A 1 129 . -0.563833 -6.56822 3.00523 1 0 0 129 A
-ATOM 1064 N . PHE A 1 130 . 2.33213 -11.276 3.19432 1 0 0 130 A
-ATOM 1065 CA . PHE A 1 130 . 2.93502 -12.2445 2.36547 1 0 0 130 A
-ATOM 1066 C . PHE A 1 130 . 3.05427 -13.5721 3.10673 1 0 0 130 A
-ATOM 1067 O . PHE A 1 130 . 4.23734 -14.777 1.9377 1 0 0 130 A
-ATOM 1068 CB . PHE A 1 130 . 4.31465 -11.7157 1.86491 1 0 0 130 A
-ATOM 1069 CG . PHE A 1 130 . 4.89025 -12.552 0.747184 1 0 0 130 A
-ATOM 1070 CD1 . PHE A 1 130 . 4.12189 -12.8304 -0.401831 1 0 0 130 A
-ATOM 1071 CD2 . PHE A 1 130 . 6.18422 -13.1024 0.851149 1 0 0 130 A
-ATOM 1072 CE1 . PHE A 1 130 . 4.62856 -13.6501 -1.41736 1 0 0 130 A
-ATOM 1073 CE2 . PHE A 1 130 . 6.69257 -13.9253 -0.161023 1 0 0 130 A
-ATOM 1074 CZ . PHE A 1 130 . 5.91072 -14.1994 -1.29727 1 0 0 130 A
-#

chroma/notebooks/chroma_sample.cif

@@ -1,946 +0,0 @@
-data_GNR8
-#
-_entry.id   system
-#
-loop_
-_entity.id 
-_entity.type 
-_entity.pdbx_description 
-_entity.pdbx_number_of_molecules 
-1 polymer 'chain A' 1
-#
-loop_
-_entity_poly_seq.entity_id 
-_entity_poly_seq.num 
-_entity_poly_seq.mon_id 
-_entity_poly_seq.hetero 
-1 1 MET n
-1 2 LYS n
-1 3 SER n
-1 4 ILE n
-1 5 GLU n
-1 6 GLU n
-1 7 LYS n
-1 8 LEU n
-1 9 LYS n
-1 10 GLU n
-1 11 ILE n
-1 12 ILE n
-1 13 ASP n
-1 14 LYS n
-1 15 ALA n
-1 16 LYS n
-1 17 GLU n
-1 18 LEU n
-1 19 GLY n
-1 20 CYS n
-1 21 ASP n
-1 22 ASP n
-1 23 CYS n
-1 24 ALA n
-1 25 ASN n
-1 26 ARG n
-1 27 LEU n
-1 28 LYS n
-1 29 GLN n
-1 30 VAL n
-1 31 LEU n
-1 32 ASP n
-1 33 GLU n
-1 34 ILE n
-1 35 LYS n
-1 36 ARG n
-1 37 ASN n
-1 38 LYS n
-1 39 GLU n
-1 40 ASN n
-1 41 LYS n
-1 42 CYS n
-1 43 GLU n
-1 44 ALA n
-1 45 TYR n
-1 46 LYS n
-1 47 LYS n
-1 48 ALA n
-1 49 ILE n
-1 50 ASP n
-1 51 ALA n
-1 52 LEU n
-1 53 LYS n
-1 54 SER n
-1 55 ILE n
-1 56 VAL n
-1 57 ASP n
-1 58 GLU n
-1 59 LEU n
-1 60 GLU n
-1 61 ARG n
-1 62 ARG n
-1 63 ALA n
-1 64 GLN n
-1 65 GLU n
-1 66 LEU n
-1 67 ALA n
-1 68 SER n
-1 69 ARG n
-1 70 ASP n
-1 71 PRO n
-1 72 GLU n
-1 73 LEU n
-1 74 GLY n
-1 75 LYS n
-1 76 GLN n
-1 77 ALA n
-1 78 ARG n
-1 79 GLU n
-1 80 GLN n
-1 81 VAL n
-1 82 GLU n
-1 83 ASN n
-1 84 ILE n
-1 85 LYS n
-1 86 LYS n
-1 87 GLU n
-1 88 ILE n
-1 89 ASP n
-1 90 GLU n
-1 91 LEU n
-1 92 ILE n
-1 93 LYS n
-1 94 GLU n
-1 95 ILE n
-1 96 LYS n
-1 97 LYS n
-1 98 SER n
-1 99 CYS n
-1 100 ALA n
-#
-loop_
-_entity_poly.entity_id 
-_entity_poly.type 
-1 polypeptide(L)
-#
-loop_
-_atom_site.group_PDB 
-_atom_site.id 
-_atom_site.label_atom_id 
-_atom_site.label_alt_id 
-_atom_site.label_comp_id 
-_atom_site.label_asym_id 
-_atom_site.label_entity_id 
-_atom_site.label_seq_id 
-_atom_site.pdbx_PDB_ins_code 
-_atom_site.Cartn_x 
-_atom_site.Cartn_y 
-_atom_site.Cartn_z 
-_atom_site.occupancy 
-_atom_site.B_iso_or_equiv 
-_atom_site.pdbx_PDB_model_num 
-_atom_site.auth_seq_id 
-_atom_site.auth_asym_id 
-ATOM 1 N . MET A 1 1 . -11.2648 2.33983 10.406 1 0 0 1 A
-ATOM 2 CA . MET A 1 1 . -10.0609 1.7261 9.86703 1 0 0 1 A
-ATOM 3 C . MET A 1 1 . -10.2173 1.49238 8.37008 1 0 0 1 A
-ATOM 4 O . MET A 1 1 . -11.2956 1.1049 7.90613 1 0 0 1 A
-ATOM 5 CB . MET A 1 1 . -9.77543 0.407894 10.6308 1 0 0 1 A
-ATOM 6 CG . MET A 1 1 . -9.7599 0.510607 12.1773 1 0 0 1 A
-ATOM 7 SD . MET A 1 1 . -8.61523 1.82105 12.711 1 0 0 1 A
-ATOM 8 CE . MET A 1 1 . -7.05279 1.08041 12.143 1 0 0 1 A
-ATOM 9 N . LYS A 1 2 . -9.13958 1.72965 7.62067 1 0 0 2 A
-ATOM 10 CA . LYS A 1 2 . -9.18618 1.54997 6.17939 1 0 0 2 A
-ATOM 11 C . LYS A 1 2 . -9.28058 0.0695153 5.82396 1 0 0 2 A
-ATOM 12 O . LYS A 1 2 . -8.72612 -0.79419 6.51699 1 0 0 2 A
-ATOM 13 CB . LYS A 1 2 . -7.93293 2.21198 5.52769 1 0 0 2 A
-ATOM 14 CG . LYS A 1 2 . -7.83748 3.74293 5.66431 1 0 0 2 A
-ATOM 15 CD . LYS A 1 2 . -6.71718 4.36176 4.80782 1 0 0 2 A
-ATOM 16 CE . LYS A 1 2 . -6.76122 5.89112 4.80998 1 0 0 2 A
-ATOM 17 NZ . LYS A 1 2 . -5.77263 6.43147 3.88137 1 0 0 2 A
-ATOM 18 N . SER A 1 3 . -9.98474 -0.212255 4.72473 1 0 0 3 A
-ATOM 19 CA . SER A 1 3 . -10.1257 -1.58104 4.27151 1 0 0 3 A
-ATOM 20 C . SER A 1 3 . -8.78935 -2.12882 3.77831 1 0 0 3 A
-ATOM 21 O . SER A 1 3 . -7.90582 -1.37508 3.35616 1 0 0 3 A
-ATOM 22 CB . SER A 1 3 . -11.232 -1.71077 3.17935 1 0 0 3 A
-ATOM 23 OG . SER A 1 3 . -10.8884 -1.02873 1.97034 1 0 0 3 A
-ATOM 24 N . ILE A 1 4 . -8.66407 -3.45508 3.8319 1 0 0 4 A
-ATOM 25 CA . ILE A 1 4 . -7.43798 -4.09157 3.37759 1 0 0 4 A
-ATOM 26 C . ILE A 1 4 . -7.18824 -3.82314 1.90012 1 0 0 4 A
-ATOM 27 O . ILE A 1 4 . -6.03303 -3.58506 1.49419 1 0 0 4 A
-ATOM 28 CB . ILE A 1 4 . -7.47045 -5.62249 3.72419 1 0 0 4 A
-ATOM 29 CG1 . ILE A 1 4 . -6.2848 -6.42058 3.12437 1 0 0 4 A
-ATOM 30 CG2 . ILE A 1 4 . -8.83403 -6.3026 3.44031 1 0 0 4 A
-ATOM 31 CD1 . ILE A 1 4 . -4.9059 -5.99983 3.66585 1 0 0 4 A
-ATOM 32 N . GLU A 1 5 . -8.2434 -3.85711 1.08003 1 0 0 5 A
-ATOM 33 CA . GLU A 1 5 . -8.06389 -3.58485 -0.336802 1 0 0 5 A
-ATOM 34 C . GLU A 1 5 . -7.57915 -2.1595 -0.572626 1 0 0 5 A
-ATOM 35 O . GLU A 1 5 . -6.71301 -1.93026 -1.43014 1 0 0 5 A
-ATOM 36 CB . GLU A 1 5 . -9.39934 -3.8653 -1.07193 1 0 0 5 A
-ATOM 37 CG . GLU A 1 5 . -9.85647 -5.35658 -1.09847 1 0 0 5 A
-ATOM 38 CD . GLU A 1 5 . -10.5873 -5.84963 0.152 1 0 0 5 A
-ATOM 39 OE1 . GLU A 1 5 . -10.6174 -5.0303 1.10876 1 0 0 5 A
-ATOM 40 OE2 . GLU A 1 5 . -11.0843 -6.99632 0.175946 1 0 0 5 A
-ATOM 41 N . GLU A 1 6 . -8.11903 -1.19056 0.18092 1 0 0 6 A
-ATOM 42 CA . GLU A 1 6 . -7.65835 0.18146 0.037589 1 0 0 6 A
-ATOM 43 C . GLU A 1 6 . -6.20477 0.332121 0.473095 1 0 0 6 A
-ATOM 44 O . GLU A 1 6 . -5.43923 1.07902 -0.157078 1 0 0 6 A
-ATOM 45 CB . GLU A 1 6 . -8.59887 1.10925 0.848222 1 0 0 6 A
-ATOM 46 CG . GLU A 1 6 . -8.26101 2.63116 0.791418 1 0 0 6 A
-ATOM 47 CD . GLU A 1 6 . -9.11763 3.53534 1.68 1 0 0 6 A
-ATOM 48 OE1 . GLU A 1 6 . -10.0417 2.94795 2.30336 1 0 0 6 A
-ATOM 49 OE2 . GLU A 1 6 . -8.88604 4.76254 1.73327 1 0 0 6 A
-ATOM 50 N . LYS A 1 7 . -5.81458 -0.363702 1.54431 1 0 0 7 A
-ATOM 51 CA . LYS A 1 7 . -4.42333 -0.318747 1.9744 1 0 0 7 A
-ATOM 52 C . LYS A 1 7 . -3.5021 -0.919836 0.922267 1 0 0 7 A
-ATOM 53 O . LYS A 1 7 . -2.41288 -0.381422 0.659143 1 0 0 7 A
-ATOM 54 CB . LYS A 1 7 . -4.28105 -1.05565 3.342 1 0 0 7 A
-ATOM 55 CG . LYS A 1 7 . -4.49202 -0.186553 4.59569 1 0 0 7 A
-ATOM 56 CD . LYS A 1 7 . -3.37518 0.851539 4.81163 1 0 0 7 A
-ATOM 57 CE . LYS A 1 7 . -3.57733 1.66516 6.0915 1 0 0 7 A
-ATOM 58 NZ . LYS A 1 7 . -2.47109 2.59853 6.28297 1 0 0 7 A
-ATOM 59 N . LEU A 1 8 . -3.92212 -2.03676 0.315042 1 0 0 8 A
-ATOM 60 CA . LEU A 1 8 . -3.10958 -2.6552 -0.720263 1 0 0 8 A
-ATOM 61 C . LEU A 1 8 . -2.99208 -1.75304 -1.9431 1 0 0 8 A
-ATOM 62 O . LEU A 1 8 . -1.91476 -1.66547 -2.55436 1 0 0 8 A
-ATOM 63 CB . LEU A 1 8 . -3.72867 -4.03282 -1.06865 1 0 0 8 A
-ATOM 64 CG . LEU A 1 8 . -2.98828 -4.90533 -2.11414 1 0 0 8 A
-ATOM 65 CD1 . LEU A 1 8 . -1.53504 -5.15896 -1.67216 1 0 0 8 A
-ATOM 66 CD2 . LEU A 1 8 . -3.65376 -6.27953 -2.31488 1 0 0 8 A
-ATOM 67 N . LYS A 1 9 . -4.08163 -1.07673 -2.31267 1 0 0 9 A
-ATOM 68 CA . LYS A 1 9 . -4.02259 -0.166691 -3.44486 1 0 0 9 A
-ATOM 69 C . LYS A 1 9 . -3.11078 1.01551 -3.15685 1 0 0 9 A
-ATOM 70 O . LYS A 1 9 . -2.37303 1.46889 -4.05079 1 0 0 9 A
-ATOM 71 CB . LYS A 1 9 . -5.46611 0.303355 -3.80392 1 0 0 9 A
-ATOM 72 CG . LYS A 1 9 . -5.57688 1.27678 -4.9921 1 0 0 9 A
-ATOM 73 CD . LYS A 1 9 . -5.08191 0.674765 -6.32032 1 0 0 9 A
-ATOM 74 CE . LYS A 1 9 . -5.29246 1.6229 -7.50252 1 0 0 9 A
-ATOM 75 NZ . LYS A 1 9 . -4.6561 1.09009 -8.70367 1 0 0 9 A
-ATOM 76 N . GLU A 1 10 . -3.13872 1.52171 -1.91981 1 0 0 10 A
-ATOM 77 CA . GLU A 1 10 . -2.25756 2.62505 -1.56259 1 0 0 10 A
-ATOM 78 C . GLU A 1 10 . -0.797362 2.18793 -1.54657 1 0 0 10 A
-ATOM 79 O . GLU A 1 10 . 0.0874956 2.94667 -1.97268 1 0 0 10 A
-ATOM 80 CB . GLU A 1 10 . -2.70084 3.19398 -0.190612 1 0 0 10 A
-ATOM 81 CG . GLU A 1 10 . -4.11898 3.84292 -0.153892 1 0 0 10 A
-ATOM 82 CD . GLU A 1 10 . -4.65042 4.19964 1.23579 1 0 0 10 A
-ATOM 83 OE1 . GLU A 1 10 . -3.95116 3.78099 2.19671 1 0 0 10 A
-ATOM 84 OE2 . GLU A 1 10 . -5.71434 4.84528 1.35297 1 0 0 10 A
-ATOM 85 N . ILE A 1 11 . -0.529547 0.974861 -1.0587 1 0 0 11 A
-ATOM 86 CA . ILE A 1 11 . 0.834755 0.472347 -1.06269 1 0 0 11 A
-ATOM 87 C . ILE A 1 11 . 1.33899 0.256027 -2.48519 1 0 0 11 A
-ATOM 88 O . ILE A 1 11 . 2.49421 0.592702 -2.79987 1 0 0 11 A
-ATOM 89 CB . ILE A 1 11 . 0.933478 -0.819296 -0.175668 1 0 0 11 A
-ATOM 90 CG1 . ILE A 1 11 . 0.441005 -0.61283 1.27944 1 0 0 11 A
-ATOM 91 CG2 . ILE A 1 11 . 2.31768 -1.5147 -0.22955 1 0 0 11 A
-ATOM 92 CD1 . ILE A 1 11 . 1.0504 0.615185 1.98102 1 0 0 11 A
-ATOM 93 N . ILE A 1 12 . 0.491688 -0.292204 -3.36111 1 0 0 12 A
-ATOM 94 CA . ILE A 1 12 . 0.899897 -0.491118 -4.74436 1 0 0 12 A
-ATOM 95 C . ILE A 1 12 . 1.12532 0.83835 -5.44958 1 0 0 12 A
-ATOM 96 O . ILE A 1 12 . 2.06469 0.967494 -6.25164 1 0 0 12 A
-ATOM 97 CB . ILE A 1 12 . -0.139047 -1.40717 -5.48351 1 0 0 12 A
-ATOM 98 CG1 . ILE A 1 12 . -0.248773 -2.83196 -4.88314 1 0 0 12 A
-ATOM 99 CG2 . ILE A 1 12 . 0.0313848 -1.43512 -7.02386 1 0 0 12 A
-ATOM 100 CD1 . ILE A 1 12 . -1.38477 -3.68113 -5.48315 1 0 0 12 A
-ATOM 101 N . ASP A 1 13 . 0.27738 1.83095 -5.17063 1 0 0 13 A
-ATOM 102 CA . ASP A 1 13 . 0.468898 3.14159 -5.77155 1 0 0 13 A
-ATOM 103 C . ASP A 1 13 . 1.75485 3.7939 -5.28375 1 0 0 13 A
-ATOM 104 O . ASP A 1 13 . 2.45622 4.45401 -6.07034 1 0 0 13 A
-ATOM 105 CB . ASP A 1 13 . -0.815758 3.98339 -5.49837 1 0 0 13 A
-ATOM 106 CG . ASP A 1 13 . -1.98171 3.57372 -6.38332 1 0 0 13 A
-ATOM 107 OD1 . ASP A 1 13 . -1.7218 3.02682 -7.48828 1 0 0 13 A
-ATOM 108 OD2 . ASP A 1 13 . -3.12339 3.96562 -6.05856 1 0 0 13 A
-ATOM 109 N . LYS A 1 14 . 2.08763 3.60994 -4.00053 1 0 0 14 A
-ATOM 110 CA . LYS A 1 14 . 3.33832 4.15323 -3.49288 1 0 0 14 A
-ATOM 111 C . LYS A 1 14 . 4.5386 3.48125 -4.14838 1 0 0 14 A
-ATOM 112 O . LYS A 1 14 . 5.53982 4.1497 -4.46555 1 0 0 14 A
-ATOM 113 CB . LYS A 1 14 . 3.37698 3.99708 -1.94119 1 0 0 14 A
-ATOM 114 CG . LYS A 1 14 . 2.56968 5.03798 -1.14346 1 0 0 14 A
-ATOM 115 CD . LYS A 1 14 . 3.06633 6.48115 -1.34895 1 0 0 14 A
-ATOM 116 CE . LYS A 1 14 . 2.3198 7.48396 -0.466938 1 0 0 14 A
-ATOM 117 NZ . LYS A 1 14 . 2.75172 8.84637 -0.765086 1 0 0 14 A
-ATOM 118 N . ALA A 1 15 . 4.46666 2.1629 -4.35584 1 0 0 15 A
-ATOM 119 CA . ALA A 1 15 . 5.56764 1.46705 -5.00413 1 0 0 15 A
-ATOM 120 C . ALA A 1 15 . 5.70236 1.87646 -6.46534 1 0 0 15 A
-ATOM 121 O . ALA A 1 15 . 6.8267 1.98119 -6.98198 1 0 0 15 A
-ATOM 122 CB . ALA A 1 15 . 5.38325 -0.0660127 -4.86917 1 0 0 15 A
-ATOM 123 N . LYS A 1 16 . 4.57503 2.11295 -7.14716 1 0 0 16 A
-ATOM 124 CA . LYS A 1 16 . 4.64103 2.57158 -8.52612 1 0 0 16 A
-ATOM 125 C . LYS A 1 16 . 5.23739 3.9736 -8.61326 1 0 0 16 A
-ATOM 126 O . LYS A 1 16 . 5.96412 4.28597 -9.5732 1 0 0 16 A
-ATOM 127 CB . LYS A 1 16 . 3.21512 2.52044 -9.15682 1 0 0 16 A
-ATOM 128 CG . LYS A 1 16 . 3.11986 2.95234 -10.6319 1 0 0 16 A
-ATOM 129 CD . LYS A 1 16 . 1.67505 2.98734 -11.1638 1 0 0 16 A
-ATOM 130 CE . LYS A 1 16 . 1.58549 3.59887 -12.5634 1 0 0 16 A
-ATOM 131 NZ . LYS A 1 16 . 0.198082 3.63531 -13.0166 1 0 0 16 A
-ATOM 132 N . GLU A 1 17 . 4.94436 4.82848 -7.62812 1 0 0 17 A
-ATOM 133 CA . GLU A 1 17 . 5.52126 6.16848 -7.63558 1 0 0 17 A
-ATOM 134 C . GLU A 1 17 . 7.02935 6.12986 -7.41978 1 0 0 17 A
-ATOM 135 O . GLU A 1 17 . 7.74517 7.02732 -7.89279 1 0 0 17 A
-ATOM 136 CB . GLU A 1 17 . 4.8092 7.02235 -6.55559 1 0 0 17 A
-ATOM 137 CG . GLU A 1 17 . 3.29475 7.30182 -6.80448 1 0 0 17 A
-ATOM 138 CD . GLU A 1 17 . 2.53916 7.94975 -5.64252 1 0 0 17 A
-ATOM 139 OE1 . GLU A 1 17 . 3.23498 8.18025 -4.61767 1 0 0 17 A
-ATOM 140 OE2 . GLU A 1 17 . 1.31801 8.19487 -5.74833 1 0 0 17 A
-ATOM 141 N . LEU A 1 18 . 7.52383 5.10543 -6.72008 1 0 0 18 A
-ATOM 142 CA . LEU A 1 18 . 8.94598 4.96419 -6.47813 1 0 0 18 A
-ATOM 143 C . LEU A 1 18 . 9.68684 4.33518 -7.64999 1 0 0 18 A
-ATOM 144 O . LEU A 1 18 . 10.9237 4.27144 -7.61929 1 0 0 18 A
-ATOM 145 CB . LEU A 1 18 . 9.11588 4.14547 -5.17301 1 0 0 18 A
-ATOM 146 CG . LEU A 1 18 . 8.76713 4.84969 -3.83699 1 0 0 18 A
-ATOM 147 CD1 . LEU A 1 18 . 8.97285 3.88847 -2.65152 1 0 0 18 A
-ATOM 148 CD2 . LEU A 1 18 . 9.64005 6.09169 -3.57805 1 0 0 18 A
-ATOM 149 N . GLY A 1 19 . 8.96856 3.88417 -8.68174 1 0 0 19 A
-ATOM 150 CA . GLY A 1 19 . 9.59384 3.25482 -9.82131 1 0 0 19 A
-ATOM 151 C . GLY A 1 19 . 9.71395 1.74743 -9.7352 1 0 0 19 A
-ATOM 152 O . GLY A 1 19 . 10.4324 1.15356 -10.5556 1 0 0 19 A
-ATOM 153 N . CYS A 1 20 . 9.05428 1.11054 -8.77432 1 0 0 20 A
-ATOM 154 CA . CYS A 1 20 . 9.10259 -0.335511 -8.6173 1 0 0 20 A
-ATOM 155 C . CYS A 1 20 . 7.98384 -0.947026 -9.4542 1 0 0 20 A
-ATOM 156 O . CYS A 1 20 . 6.88493 -1.23285 -8.96269 1 0 0 20 A
-ATOM 157 CB . CYS A 1 20 . 8.9806 -0.718885 -7.11007 1 0 0 20 A
-ATOM 158 SG . CYS A 1 20 . 9.53677 -2.43113 -6.72993 1 0 0 20 A
-ATOM 159 N . ASP A 1 21 . 8.26845 -1.14376 -10.7443 1 0 0 21 A
-ATOM 160 CA . ASP A 1 21 . 7.26142 -1.70511 -11.6345 1 0 0 21 A
-ATOM 161 C . ASP A 1 21 . 6.97283 -3.16122 -11.2984 1 0 0 21 A
-ATOM 162 O . ASP A 1 21 . 5.81831 -3.60594 -11.3855 1 0 0 21 A
-ATOM 163 CB . ASP A 1 21 . 7.73892 -1.4725 -13.1013 1 0 0 21 A
-ATOM 164 CG . ASP A 1 21 . 7.8229 0.00184476 -13.4614 1 0 0 21 A
-ATOM 165 OD1 . ASP A 1 21 . 6.92226 0.768776 -13.0275 1 0 0 21 A
-ATOM 166 OD2 . ASP A 1 21 . 8.66822 0.34393 -14.3163 1 0 0 21 A
-ATOM 167 N . ASP A 1 22 . 8.00521 -3.91617 -10.908 1 0 0 22 A
-ATOM 168 CA . ASP A 1 22 . 7.78982 -5.30681 -10.54 1 0 0 22 A
-ATOM 169 C . ASP A 1 22 . 6.91719 -5.42041 -9.28968 1 0 0 22 A
-ATOM 170 O . ASP A 1 22 . 5.9901 -6.24598 -9.23581 1 0 0 22 A
-ATOM 171 CB . ASP A 1 22 . 9.18652 -5.98862 -10.4061 1 0 0 22 A
-ATOM 172 CG . ASP A 1 22 . 9.93953 -6.04166 -11.7254 1 0 0 22 A
-ATOM 173 OD1 . ASP A 1 22 . 9.26839 -6.00605 -12.7912 1 0 0 22 A
-ATOM 174 OD2 . ASP A 1 22 . 11.161 -6.30453 -11.6871 1 0 0 22 A
-ATOM 175 N . CYS A 1 23 . 7.19019 -4.59241 -8.27503 1 0 0 23 A
-ATOM 176 CA . CYS A 1 23 . 6.38767 -4.62327 -7.06277 1 0 0 23 A
-ATOM 177 C . CYS A 1 23 . 4.95767 -4.17323 -7.33243 1 0 0 23 A
-ATOM 178 O . CYS A 1 23 . 4.0042 -4.74063 -6.77484 1 0 0 23 A
-ATOM 179 CB . CYS A 1 23 . 7.08429 -3.7389 -5.98286 1 0 0 23 A
-ATOM 180 SG . CYS A 1 23 . 8.76678 -4.31993 -5.51679 1 0 0 23 A
-ATOM 181 N . ALA A 1 24 . 4.78761 -3.15487 -8.18166 1 0 0 24 A
-ATOM 182 CA . ALA A 1 24 . 3.44771 -2.68766 -8.50187 1 0 0 24 A
-ATOM 183 C . ALA A 1 24 . 2.65715 -3.74677 -9.25893 1 0 0 24 A
-ATOM 184 O . ALA A 1 24 . 1.44386 -3.89882 -9.04036 1 0 0 24 A
-ATOM 185 CB . ALA A 1 24 . 3.52044 -1.36479 -9.30639 1 0 0 24 A
-ATOM 186 N . ASN A 1 25 . 3.32318 -4.4943 -10.1411 1 0 0 25 A
-ATOM 187 CA . ASN A 1 25 . 2.63007 -5.54957 -10.8639 1 0 0 25 A
-ATOM 188 C . ASN A 1 25 . 2.22616 -6.68271 -9.92676 1 0 0 25 A
-ATOM 189 O . ASN A 1 25 . 1.1419 -7.26721 -10.0779 1 0 0 25 A
-ATOM 190 CB . ASN A 1 25 . 3.56102 -6.01933 -12.0241 1 0 0 25 A
-ATOM 191 CG . ASN A 1 25 . 3.78879 -4.96903 -13.1131 1 0 0 25 A
-ATOM 192 OD1 . ASN A 1 25 . 3.02165 -4.02448 -13.2926 1 0 0 25 A
-ATOM 193 ND2 . ASN A 1 25 . 4.88012 -5.14295 -13.8885 1 0 0 25 A
-ATOM 194 N . ARG A 1 26 . 3.08643 -7.00352 -8.9536 1 0 0 26 A
-ATOM 195 CA . ARG A 1 26 . 2.73257 -8.04006 -7.99085 1 0 0 26 A
-ATOM 196 C . ARG A 1 26 . 1.57379 -7.59492 -7.10202 1 0 0 26 A
-ATOM 197 O . ARG A 1 26 . 0.671517 -8.39334 -6.79391 1 0 0 26 A
-ATOM 198 CB . ARG A 1 26 . 3.9897 -8.44857 -7.16239 1 0 0 26 A
-ATOM 199 CG . ARG A 1 26 . 5.12286 -9.15238 -7.95176 1 0 0 26 A
-ATOM 200 CD . ARG A 1 26 . 6.42154 -9.34441 -7.14668 1 0 0 26 A
-ATOM 201 NE . ARG A 1 26 . 6.06318 -10.1113 -5.90833 1 0 0 26 A
-ATOM 202 CZ . ARG A 1 26 . 6.95041 -10.4043 -4.94782 1 0 0 26 A
-ATOM 203 NH1 . ARG A 1 26 . 8.20478 -9.99218 -5.10797 1 0 0 26 A
-ATOM 204 NH2 . ARG A 1 26 . 6.60704 -11.0626 -3.84437 1 0 0 26 A
-ATOM 205 N . LEU A 1 27 . 1.57527 -6.32392 -6.68564 1 0 0 27 A
-ATOM 206 CA . LEU A 1 27 . 0.487584 -5.82766 -5.85221 1 0 0 27 A
-ATOM 207 C . LEU A 1 27 . -0.830675 -5.8125 -6.61004 1 0 0 27 A
-ATOM 208 O . LEU A 1 27 . -1.88543 -6.16576 -6.0505 1 0 0 27 A
-ATOM 209 CB . LEU A 1 27 . 0.877781 -4.42078 -5.3317 1 0 0 27 A
-ATOM 210 CG . LEU A 1 27 . 1.9735 -4.34177 -4.23824 1 0 0 27 A
-ATOM 211 CD1 . LEU A 1 27 . 2.44487 -2.88758 -4.05187 1 0 0 27 A
-ATOM 212 CD2 . LEU A 1 27 . 1.47912 -4.84341 -2.86873 1 0 0 27 A
-ATOM 213 N . LYS A 1 28 . -0.797996 -5.40674 -7.88403 1 0 0 28 A
-ATOM 214 CA . LYS A 1 28 . -2.01852 -5.38893 -8.66842 1 0 0 28 A
-ATOM 215 C . LYS A 1 28 . -2.54135 -6.80038 -8.92478 1 0 0 28 A
-ATOM 216 O . LYS A 1 28 . -3.76354 -7.03021 -8.9011 1 0 0 28 A
-ATOM 217 CB . LYS A 1 28 . -1.75682 -4.62844 -10.0051 1 0 0 28 A
-ATOM 218 CG . LYS A 1 28 . -1.54269 -3.10857 -9.8796 1 0 0 28 A
-ATOM 219 CD . LYS A 1 28 . -1.34585 -2.40753 -11.2366 1 0 0 28 A
-ATOM 220 CE . LYS A 1 28 . -1.32686 -0.883224 -11.106 1 0 0 28 A
-ATOM 221 NZ . LYS A 1 28 . -1.30908 -0.25821 -12.4254 1 0 0 28 A
-ATOM 222 N . GLN A 1 29 . -1.63763 -7.75234 -9.16158 1 0 0 29 A
-ATOM 223 CA . GLN A 1 29 . -2.07864 -9.1301 -9.34073 1 0 0 29 A
-ATOM 224 C . GLN A 1 29 . -2.64899 -9.70959 -8.05048 1 0 0 29 A
-ATOM 225 O . GLN A 1 29 . -3.63284 -10.4668 -8.08108 1 0 0 29 A
-ATOM 226 CB . GLN A 1 29 . -0.886401 -9.96902 -9.8673 1 0 0 29 A
-ATOM 227 CG . GLN A 1 29 . -0.348371 -9.56222 -11.2628 1 0 0 29 A
-ATOM 228 CD . GLN A 1 29 . 0.855783 -10.402 -11.6937 1 0 0 29 A
-ATOM 229 OE1 . GLN A 1 29 . 1.24262 -11.3608 -11.0273 1 0 0 29 A
-ATOM 230 NE2 . GLN A 1 29 . 1.46702 -10.0461 -12.8436 1 0 0 29 A
-ATOM 231 N . VAL A 1 30 . -2.04445 -9.36538 -6.90847 1 0 0 30 A
-ATOM 232 CA . VAL A 1 30 . -2.56669 -9.83808 -5.63948 1 0 0 30 A
-ATOM 233 C . VAL A 1 30 . -3.91744 -9.2001 -5.32332 1 0 0 30 A
-ATOM 234 O . VAL A 1 30 . -4.81239 -9.86861 -4.77629 1 0 0 30 A
-ATOM 235 CB . VAL A 1 30 . -1.52623 -9.56225 -4.49656 1 0 0 30 A
-ATOM 236 CG1 . VAL A 1 30 . -2.09543 -9.7383 -3.07648 1 0 0 30 A
-ATOM 237 CG2 . VAL A 1 30 . -0.266361 -10.4371 -4.63406 1 0 0 30 A
-ATOM 238 N . LEU A 1 31 . -4.0812 -7.9194 -5.65447 1 0 0 31 A
-ATOM 239 CA . LEU A 1 31 . -5.36208 -7.26173 -5.4242 1 0 0 31 A
-ATOM 240 C . LEU A 1 31 . -6.45646 -7.8526 -6.30667 1 0 0 31 A
-ATOM 241 O . LEU A 1 31 . -7.61296 -7.99204 -5.86908 1 0 0 31 A
-ATOM 242 CB . LEU A 1 31 . -5.17797 -5.74119 -5.66204 1 0 0 31 A
-ATOM 243 CG . LEU A 1 31 . -6.45369 -4.86103 -5.68057 1 0 0 31 A
-ATOM 244 CD1 . LEU A 1 31 . -7.0628 -4.76529 -4.2694 1 0 0 31 A
-ATOM 245 CD2 . LEU A 1 31 . -6.17349 -3.42407 -6.15832 1 0 0 31 A
-ATOM 246 N . ASP A 1 32 . -6.11857 -8.21029 -7.54951 1 0 0 32 A
-ATOM 247 CA . ASP A 1 32 . -7.09795 -8.84336 -8.4171 1 0 0 32 A
-ATOM 248 C . ASP A 1 32 . -7.46475 -10.2352 -7.90849 1 0 0 32 A
-ATOM 249 O . ASP A 1 32 . -8.62159 -10.6606 -8.04149 1 0 0 32 A
-ATOM 250 CB . ASP A 1 32 . -6.53521 -8.82461 -9.87195 1 0 0 32 A
-ATOM 251 CG . ASP A 1 32 . -6.41142 -7.4171 -10.4323 1 0 0 32 A
-ATOM 252 OD1 . ASP A 1 32 . -7.13259 -6.51473 -9.92904 1 0 0 32 A
-ATOM 253 OD2 . ASP A 1 32 . -5.74473 -7.26479 -11.4786 1 0 0 32 A
-ATOM 254 N . GLU A 1 33 . -6.49532 -10.9535 -7.33098 1 0 0 33 A
-ATOM 255 CA . GLU A 1 33 . -6.79246 -12.2544 -6.75141 1 0 0 33 A
-ATOM 256 C . GLU A 1 33 . -7.69875 -12.1214 -5.52844 1 0 0 33 A
-ATOM 257 O . GLU A 1 33 . -8.61081 -12.9426 -5.33068 1 0 0 33 A
-ATOM 258 CB . GLU A 1 33 . -5.45954 -12.9645 -6.40281 1 0 0 33 A
-ATOM 259 CG . GLU A 1 33 . -5.58622 -14.4447 -5.92678 1 0 0 33 A
-ATOM 260 CD . GLU A 1 33 . -4.26688 -15.1705 -5.65571 1 0 0 33 A
-ATOM 261 OE1 . GLU A 1 33 . -3.23681 -14.4489 -5.7329 1 0 0 33 A
-ATOM 262 OE2 . GLU A 1 33 . -4.26607 -16.3938 -5.39881 1 0 0 33 A
-ATOM 263 N . ILE A 1 34 . -7.46232 -11.0991 -4.70075 1 0 0 34 A
-ATOM 264 CA . ILE A 1 34 . -8.31429 -10.8894 -3.53719 1 0 0 34 A
-ATOM 265 C . ILE A 1 34 . -9.72834 -10.4908 -3.94633 1 0 0 34 A
-ATOM 266 O . ILE A 1 34 . -10.7047 -10.8692 -3.27484 1 0 0 34 A
-ATOM 267 CB . ILE A 1 34 . -7.64415 -9.85473 -2.56499 1 0 0 34 A
-ATOM 268 CG1 . ILE A 1 34 . -6.35485 -10.3842 -1.88686 1 0 0 34 A
-ATOM 269 CG2 . ILE A 1 34 . -8.62491 -9.22645 -1.54232 1 0 0 34 A
-ATOM 270 CD1 . ILE A 1 34 . -5.63084 -9.34279 -1.01346 1 0 0 34 A
-ATOM 271 N . LYS A 1 35 . -9.86299 -9.72767 -5.04253 1 0 0 35 A
-ATOM 272 CA . LYS A 1 35 . -11.1921 -9.34118 -5.49104 1 0 0 35 A
-ATOM 273 C . LYS A 1 35 . -11.9634 -10.5335 -6.05196 1 0 0 35 A
-ATOM 274 O . LYS A 1 35 . -13.2007 -10.5843 -5.93844 1 0 0 35 A
-ATOM 275 CB . LYS A 1 35 . -11.0645 -8.19958 -6.54653 1 0 0 35 A
-ATOM 276 CG . LYS A 1 35 . -10.5593 -6.84677 -6.01148 1 0 0 35 A
-ATOM 277 CD . LYS A 1 35 . -10.6798 -5.70359 -7.03629 1 0 0 35 A
-ATOM 278 CE . LYS A 1 35 . -10.2142 -4.36167 -6.46764 1 0 0 35 A
-ATOM 279 NZ . LYS A 1 35 . -10.544 -3.27602 -7.38643 1 0 0 35 A
-ATOM 280 N . ARG A 1 36 . -11.2563 -11.4949 -6.64577 1 0 0 36 A
-ATOM 281 CA . ARG A 1 36 . -11.9139 -12.6742 -7.18407 1 0 0 36 A
-ATOM 282 C . ARG A 1 36 . -12.4371 -13.5807 -6.07918 1 0 0 36 A
-ATOM 283 O . ARG A 1 36 . -13.3825 -14.354 -6.31635 1 0 0 36 A
-ATOM 284 CB . ARG A 1 36 . -10.9435 -13.4205 -8.1509 1 0 0 36 A
-ATOM 285 CG . ARG A 1 36 . -10.5337 -12.6478 -9.43051 1 0 0 36 A
-ATOM 286 CD . ARG A 1 36 . -9.61196 -13.4424 -10.3742 1 0 0 36 A
-ATOM 287 NE . ARG A 1 36 . -9.23478 -12.5239 -11.4985 1 0 0 36 A
-ATOM 288 CZ . ARG A 1 36 . -8.10065 -11.8103 -11.5101 1 0 0 36 A
-ATOM 289 NH1 . ARG A 1 36 . -7.27691 -11.9279 -10.4725 1 0 0 36 A
-ATOM 290 NH2 . ARG A 1 36 . -7.77149 -11.0213 -12.5289 1 0 0 36 A
-ATOM 291 N . ASN A 1 37 . -11.8586 -13.4949 -4.87748 1 0 0 37 A
-ATOM 292 CA . ASN A 1 37 . -12.264 -14.3143 -3.74591 1 0 0 37 A
-ATOM 293 C . ASN A 1 37 . -12.6924 -13.4322 -2.57567 1 0 0 37 A
-ATOM 294 O . ASN A 1 37 . -12.2785 -13.6373 -1.42683 1 0 0 37 A
-ATOM 295 CB . ASN A 1 37 . -11.0812 -15.2675 -3.39092 1 0 0 37 A
-ATOM 296 CG . ASN A 1 37 . -10.7158 -16.2572 -4.49902 1 0 0 37 A
-ATOM 297 OD1 . ASN A 1 37 . -11.2749 -17.3454 -4.62545 1 0 0 37 A
-ATOM 298 ND2 . ASN A 1 37 . -9.72368 -15.8777 -5.33226 1 0 0 37 A
-ATOM 299 N . LYS A 1 38 . -13.5189 -12.4261 -2.86409 1 0 0 38 A
-ATOM 300 CA . LYS A 1 38 . -14.0205 -11.5518 -1.81085 1 0 0 38 A
-ATOM 301 C . LYS A 1 38 . -14.99 -12.2711 -0.882678 1 0 0 38 A
-ATOM 302 O . LYS A 1 38 . -15.2082 -11.8025 0.246354 1 0 0 38 A
-ATOM 303 CB . LYS A 1 38 . -14.6838 -10.3014 -2.46679 1 0 0 38 A
-ATOM 304 CG . LYS A 1 38 . -15.9657 -10.5712 -3.27645 1 0 0 38 A
-ATOM 305 CD . LYS A 1 38 . -16.5232 -9.3144 -3.9702 1 0 0 38 A
-ATOM 306 CE . LYS A 1 38 . -17.903 -9.55424 -4.58631 1 0 0 38 A
-ATOM 307 NZ . LYS A 1 38 . -17.8363 -10.6107 -5.59186 1 0 0 38 A
-ATOM 308 N . GLU A 1 39 . -15.5672 -13.3955 -1.32415 1 0 0 39 A
-ATOM 309 CA . GLU A 1 39 . -16.4749 -14.1513 -0.46794 1 0 0 39 A
-ATOM 310 C . GLU A 1 39 . -15.7397 -14.701 0.752119 1 0 0 39 A
-ATOM 311 O . GLU A 1 39 . -16.3641 -14.8961 1.80842 1 0 0 39 A
-ATOM 312 CB . GLU A 1 39 . -17.1321 -15.2825 -1.29915 1 0 0 39 A
-ATOM 313 CG . GLU A 1 39 . -18.0725 -14.8152 -2.45273 1 0 0 39 A
-ATOM 314 CD . GLU A 1 39 . -18.6967 -15.9304 -3.29394 1 0 0 39 A
-ATOM 315 OE1 . GLU A 1 39 . -18.3703 -17.0992 -2.95477 1 0 0 39 A
-ATOM 316 OE2 . GLU A 1 39 . -19.4537 -15.6471 -4.24739 1 0 0 39 A
-ATOM 317 N . ASN A 1 40 . -14.4427 -14.9596 0.628888 1 0 0 40 A
-ATOM 318 CA . ASN A 1 40 . -13.6197 -15.4335 1.7385 1 0 0 40 A
-ATOM 319 C . ASN A 1 40 . -12.7886 -14.2701 2.25384 1 0 0 40 A
-ATOM 320 O . ASN A 1 40 . -11.6008 -14.1128 1.9064 1 0 0 40 A
-ATOM 321 CB . ASN A 1 40 . -12.7523 -16.6362 1.25411 1 0 0 40 A
-ATOM 322 CG . ASN A 1 40 . -12.2057 -17.5131 2.38247 1 0 0 40 A
-ATOM 323 OD1 . ASN A 1 40 . -12.0119 -17.0847 3.51905 1 0 0 40 A
-ATOM 324 ND2 . ASN A 1 40 . -11.9274 -18.7939 2.05904 1 0 0 40 A
-ATOM 325 N . LYS A 1 41 . -13.413 -13.4409 3.09399 1 0 0 41 A
-ATOM 326 CA . LYS A 1 41 . -12.7479 -12.2459 3.59194 1 0 0 41 A
-ATOM 327 C . LYS A 1 41 . -11.4986 -12.5901 4.39536 1 0 0 41 A
-ATOM 328 O . LYS A 1 41 . -10.4673 -11.9025 4.29194 1 0 0 41 A
-ATOM 329 CB . LYS A 1 41 . -13.7591 -11.4159 4.44168 1 0 0 41 A
-ATOM 330 CG . LYS A 1 41 . -15.0144 -10.9249 3.69691 1 0 0 41 A
-ATOM 331 CD . LYS A 1 41 . -15.8697 -9.94734 4.52433 1 0 0 41 A
-ATOM 332 CE . LYS A 1 41 . -16.9901 -9.3125 3.69818 1 0 0 41 A
-ATOM 333 NZ . LYS A 1 41 . -17.6937 -8.30253 4.48335 1 0 0 41 A
-ATOM 334 N . CYS A 1 42 . -11.5696 -13.6608 5.19167 1 0 0 42 A
-ATOM 335 CA . CYS A 1 42 . -10.3977 -14.0672 5.95393 1 0 0 42 A
-ATOM 336 C . CYS A 1 42 . -9.26517 -14.5107 5.03674 1 0 0 42 A
-ATOM 337 O . CYS A 1 42 . -8.09335 -14.1745 5.27568 1 0 0 42 A
-ATOM 338 CB . CYS A 1 42 . -10.818 -15.1928 6.94898 1 0 0 42 A
-ATOM 339 SG . CYS A 1 42 . -12.0924 -14.6703 8.16905 1 0 0 42 A
-ATOM 340 N . GLU A 1 43 . -9.5934 -15.2677 3.98737 1 0 0 43 A
-ATOM 341 CA . GLU A 1 43 . -8.56947 -15.6892 3.04396 1 0 0 43 A
-ATOM 342 C . GLU A 1 43 . -8.01477 -14.5188 2.25439 1 0 0 43 A
-ATOM 343 O . GLU A 1 43 . -6.80523 -14.4571 1.97833 1 0 0 43 A
-ATOM 344 CB . GLU A 1 43 . -9.17105 -16.7741 2.11468 1 0 0 43 A
-ATOM 345 CG . GLU A 1 43 . -8.15637 -17.5021 1.17981 1 0 0 43 A
-ATOM 346 CD . GLU A 1 43 . -7.09294 -18.3473 1.88386 1 0 0 43 A
-ATOM 347 OE1 . GLU A 1 43 . -7.39063 -18.7119 3.05267 1 0 0 43 A
-ATOM 348 OE2 . GLU A 1 43 . -6.01809 -18.6125 1.30347 1 0 0 43 A
-ATOM 349 N . ALA A 1 44 . -8.88227 -13.5663 1.88543 1 0 0 44 A
-ATOM 350 CA . ALA A 1 44 . -8.42197 -12.4099 1.14188 1 0 0 44 A
-ATOM 351 C . ALA A 1 44 . -7.50679 -11.5351 1.99606 1 0 0 44 A
-ATOM 352 O . ALA A 1 44 . -6.49264 -11.015 1.50234 1 0 0 44 A
-ATOM 353 CB . ALA A 1 44 . -9.62931 -11.5982 0.607062 1 0 0 44 A
-ATOM 354 N . TYR A 1 45 . -7.84359 -11.3688 3.27768 1 0 0 45 A
-ATOM 355 CA . TYR A 1 45 . -7.01585 -10.5551 4.15288 1 0 0 45 A
-ATOM 356 C . TYR A 1 45 . -5.64971 -11.1967 4.36223 1 0 0 45 A
-ATOM 357 O . TYR A 1 45 . -4.61951 -10.4916 4.38006 1 0 0 45 A
-ATOM 358 CB . TYR A 1 45 . -7.77386 -10.3225 5.49635 1 0 0 45 A
-ATOM 359 CG . TYR A 1 45 . -9.03579 -9.51071 5.32721 1 0 0 45 A
-ATOM 360 CD1 . TYR A 1 45 . -9.29143 -8.82896 4.11974 1 0 0 45 A
-ATOM 361 CD2 . TYR A 1 45 . -9.93946 -9.36252 6.39936 1 0 0 45 A
-ATOM 362 CE1 . TYR A 1 45 . -10.4141 -8.00148 3.99734 1 0 0 45 A
-ATOM 363 CE2 . TYR A 1 45 . -11.0597 -8.53188 6.27647 1 0 0 45 A
-ATOM 364 CZ . TYR A 1 45 . -11.2943 -7.84873 5.07522 1 0 0 45 A
-ATOM 365 OH . TYR A 1 45 . -12.4046 -6.98828 4.95256 1 0 0 45 A
-ATOM 366 N . LYS A 1 46 . -5.61351 -12.5275 4.50762 1 0 0 46 A
-ATOM 367 CA . LYS A 1 46 . -4.33747 -13.2207 4.66272 1 0 0 46 A
-ATOM 368 C . LYS A 1 46 . -3.47429 -13.073 3.4153 1 0 0 46 A
-ATOM 369 O . LYS A 1 46 . -2.26 -12.8547 3.51547 1 0 0 46 A
-ATOM 370 CB . LYS A 1 46 . -4.60202 -14.7215 4.99617 1 0 0 46 A
-ATOM 371 CG . LYS A 1 46 . -3.34966 -15.6064 5.13805 1 0 0 46 A
-ATOM 372 CD . LYS A 1 46 . -3.67398 -17.1086 5.2383 1 0 0 46 A
-ATOM 373 CE . LYS A 1 46 . -2.41861 -17.9803 5.16744 1 0 0 46 A
-ATOM 374 NZ . LYS A 1 46 . -2.77775 -19.3952 5.19234 1 0 0 46 A
-ATOM 375 N . LYS A 1 47 . -4.08843 -13.1775 2.23211 1 0 0 47 A
-ATOM 376 CA . LYS A 1 47 . -3.33045 -13.0129 1.00134 1 0 0 47 A
-ATOM 377 C . LYS A 1 47 . -2.85451 -11.5751 0.834366 1 0 0 47 A
-ATOM 378 O . LYS A 1 47 . -1.71814 -11.3247 0.391771 1 0 0 47 A
-ATOM 379 CB . LYS A 1 47 . -4.20513 -13.4659 -0.208306 1 0 0 47 A
-ATOM 380 CG . LYS A 1 47 . -4.3776 -14.9869 -0.377037 1 0 0 47 A
-ATOM 381 CD . LYS A 1 47 . -5.04857 -15.3796 -1.70639 1 0 0 47 A
-ATOM 382 CE . LYS A 1 47 . -5.15973 -16.8962 -1.87571 1 0 0 47 A
-ATOM 383 NZ . LYS A 1 47 . -5.76468 -17.2229 -3.16368 1 0 0 47 A
-ATOM 384 N . ALA A 1 48 . -3.71102 -10.6115 1.18294 1 0 0 48 A
-ATOM 385 CA . ALA A 1 48 . -3.31636 -9.21778 1.06802 1 0 0 48 A
-ATOM 386 C . ALA A 1 48 . -2.16898 -8.88509 2.01901 1 0 0 48 A
-ATOM 387 O . ALA A 1 48 . -1.24977 -8.13768 1.65057 1 0 0 48 A
-ATOM 388 CB . ALA A 1 48 . -4.53515 -8.29383 1.31973 1 0 0 48 A
-ATOM 389 N . ILE A 1 49 . -2.20124 -9.43991 3.23531 1 0 0 49 A
-ATOM 390 CA . ILE A 1 49 . -1.11773 -9.19762 4.17466 1 0 0 49 A
-ATOM 391 C . ILE A 1 49 . 0.190491 -9.79545 3.66811 1 0 0 49 A
-ATOM 392 O . ILE A 1 49 . 1.25944 -9.17918 3.80664 1 0 0 49 A
-ATOM 393 CB . ILE A 1 49 . -1.51539 -9.71689 5.60194 1 0 0 49 A
-ATOM 394 CG1 . ILE A 1 49 . -2.7502 -8.99809 6.20283 1 0 0 49 A
-ATOM 395 CG2 . ILE A 1 49 . -0.332152 -9.77689 6.60136 1 0 0 49 A
-ATOM 396 CD1 . ILE A 1 49 . -3.2929 -9.64958 7.48838 1 0 0 49 A
-ATOM 397 N . ASP A 1 50 . 0.124736 -10.9963 3.07963 1 0 0 50 A
-ATOM 398 CA . ASP A 1 50 . 1.33167 -11.613 2.54965 1 0 0 50 A
-ATOM 399 C . ASP A 1 50 . 1.87747 -10.8234 1.36776 1 0 0 50 A
-ATOM 400 O . ASP A 1 50 . 3.1019 -10.6635 1.23059 1 0 0 50 A
-ATOM 401 CB . ASP A 1 50 . 1.00704 -13.1038 2.22431 1 0 0 50 A
-ATOM 402 CG . ASP A 1 50 . 0.659578 -13.9102 3.46505 1 0 0 50 A
-ATOM 403 OD1 . ASP A 1 50 . 1.10172 -13.5084 4.57442 1 0 0 50 A
-ATOM 404 OD2 . ASP A 1 50 . 0.11551 -15.0235 3.30094 1 0 0 50 A
-ATOM 405 N . ALA A 1 51 . 0.986008 -10.3309 0.503556 1 0 0 51 A
-ATOM 406 CA . ALA A 1 51 . 1.43499 -9.53077 -0.626648 1 0 0 51 A
-ATOM 407 C . ALA A 1 51 . 2.02167 -8.20396 -0.167956 1 0 0 51 A
-ATOM 408 O . ALA A 1 51 . 3.02208 -7.73142 -0.730307 1 0 0 51 A
-ATOM 409 CB . ALA A 1 51 . 0.268278 -9.31005 -1.62292 1 0 0 51 A
-ATOM 410 N . LEU A 1 52 . 1.41579 -7.58661 0.851738 1 0 0 52 A
-ATOM 411 CA . LEU A 1 52 . 1.94354 -6.33042 1.35722 1 0 0 52 A
-ATOM 412 C . LEU A 1 52 . 3.32099 -6.51453 1.97977 1 0 0 52 A
-ATOM 413 O . LEU A 1 52 . 4.21316 -5.67066 1.79073 1 0 0 52 A
-ATOM 414 CB . LEU A 1 52 . 0.921166 -5.74541 2.3647 1 0 0 52 A
-ATOM 415 CG . LEU A 1 52 . -0.352981 -5.0799 1.78491 1 0 0 52 A
-ATOM 416 CD1 . LEU A 1 52 . -1.36613 -4.78704 2.90713 1 0 0 52 A
-ATOM 417 CD2 . LEU A 1 52 . -0.052989 -3.74544 1.07724 1 0 0 52 A
-ATOM 418 N . LYS A 1 53 . 3.51269 -7.6107 2.72476 1 0 0 53 A
-ATOM 419 CA . LYS A 1 53 . 4.81044 -7.84192 3.33765 1 0 0 53 A
-ATOM 420 C . LYS A 1 53 . 5.87765 -8.11588 2.28567 1 0 0 53 A
-ATOM 421 O . LYS A 1 53 . 7.0208 -7.65485 2.42395 1 0 0 53 A
-ATOM 422 CB . LYS A 1 53 . 4.69845 -9.02034 4.35372 1 0 0 53 A
-ATOM 423 CG . LYS A 1 53 . 4.02877 -8.68292 5.69881 1 0 0 53 A
-ATOM 424 CD . LYS A 1 53 . 4.08529 -9.8396 6.71394 1 0 0 53 A
-ATOM 425 CE . LYS A 1 53 . 3.58013 -9.4243 8.09714 1 0 0 53 A
-ATOM 426 NZ . LYS A 1 53 . 3.76398 -10.5107 9.05499 1 0 0 53 A
-ATOM 427 N . SER A 1 54 . 5.52508 -8.86142 1.23449 1 0 0 54 A
-ATOM 428 CA . SER A 1 54 . 6.48476 -9.12742 0.178837 1 0 0 54 A
-ATOM 429 C . SER A 1 54 . 6.82413 -7.86022 -0.598287 1 0 0 54 A
-ATOM 430 O . SER A 1 54 . 7.97989 -7.66899 -1.00629 1 0 0 54 A
-ATOM 431 CB . SER A 1 54 . 5.97898 -10.2583 -0.769268 1 0 0 54 A
-ATOM 432 OG . SER A 1 54 . 6.80301 -10.4084 -1.92829 1 0 0 54 A
-ATOM 433 N . ILE A 1 55 . 5.83432 -6.98885 -0.811826 1 0 0 55 A
-ATOM 434 CA . ILE A 1 55 . 6.10143 -5.74452 -1.52035 1 0 0 55 A
-ATOM 435 C . ILE A 1 55 . 6.96585 -4.80579 -0.684766 1 0 0 55 A
-ATOM 436 O . ILE A 1 55 . 7.85671 -4.12913 -1.22056 1 0 0 55 A
-ATOM 437 CB . ILE A 1 55 . 4.75051 -5.08782 -1.97717 1 0 0 55 A
-ATOM 438 CG1 . ILE A 1 55 . 3.99052 -5.91099 -3.04829 1 0 0 55 A
-ATOM 439 CG2 . ILE A 1 55 . 4.87937 -3.59463 -2.37246 1 0 0 55 A
-ATOM 440 CD1 . ILE A 1 55 . 4.7408 -6.04617 -4.38635 1 0 0 55 A
-ATOM 441 N . VAL A 1 56 . 6.71993 -4.74935 0.630486 1 0 0 56 A
-ATOM 442 CA . VAL A 1 56 . 7.53587 -3.89925 1.48231 1 0 0 56 A
-ATOM 443 C . VAL A 1 56 . 8.97683 -4.37769 1.526 1 0 0 56 A
-ATOM 444 O . VAL A 1 56 . 9.91145 -3.55557 1.51849 1 0 0 56 A
-ATOM 445 CB . VAL A 1 56 . 6.91464 -3.83381 2.92269 1 0 0 56 A
-ATOM 446 CG1 . VAL A 1 56 . 7.86596 -3.2594 3.98883 1 0 0 56 A
-ATOM 447 CG2 . VAL A 1 56 . 5.59996 -3.03237 2.95269 1 0 0 56 A
-ATOM 448 N . ASP A 1 57 . 9.18446 -5.69621 1.57402 1 0 0 57 A
-ATOM 449 CA . ASP A 1 57 . 10.5481 -6.21727 1.57323 1 0 0 57 A
-ATOM 450 C . ASP A 1 57 . 11.2591 -5.91747 0.259667 1 0 0 57 A
-ATOM 451 O . ASP A 1 57 . 12.4471 -5.56758 0.256783 1 0 0 57 A
-ATOM 452 CB . ASP A 1 57 . 10.4773 -7.73491 1.9273 1 0 0 57 A
-ATOM 453 CG . ASP A 1 57 . 9.92777 -7.98422 3.32239 1 0 0 57 A
-ATOM 454 OD1 . ASP A 1 57 . 10.0956 -7.08877 4.1928 1 0 0 57 A
-ATOM 455 OD2 . ASP A 1 57 . 9.50647 -9.13153 3.58448 1 0 0 57 A
-ATOM 456 N . GLU A 1 58 . 10.5414 -6.04325 -0.861755 1 0 0 58 A
-ATOM 457 CA . GLU A 1 58 . 11.1516 -5.714 -2.14487 1 0 0 58 A
-ATOM 458 C . GLU A 1 58 . 11.4255 -4.21839 -2.26769 1 0 0 58 A
-ATOM 459 O . GLU A 1 58 . 12.4722 -3.81435 -2.79328 1 0 0 58 A
-ATOM 460 CB . GLU A 1 58 . 10.2272 -6.22276 -3.28023 1 0 0 58 A
-ATOM 461 CG . GLU A 1 58 . 10.7808 -6.05577 -4.72909 1 0 0 58 A
-ATOM 462 CD . GLU A 1 58 . 12.077 -6.80855 -5.03572 1 0 0 58 A
-ATOM 463 OE1 . GLU A 1 58 . 12.2838 -7.82554 -4.32115 1 0 0 58 A
-ATOM 464 OE2 . GLU A 1 58 . 12.8474 -6.39211 -5.9277 1 0 0 58 A
-ATOM 465 N . LEU A 1 59 . 10.4955 -3.38277 -1.78891 1 0 0 59 A
-ATOM 466 CA . LEU A 1 59 . 10.7069 -1.9461 -1.85838 1 0 0 59 A
-ATOM 467 C . LEU A 1 59 . 11.8633 -1.51108 -0.971068 1 0 0 59 A
-ATOM 468 O . LEU A 1 59 . 12.645 -0.623536 -1.35382 1 0 0 59 A
-ATOM 469 CB . LEU A 1 59 . 9.38057 -1.24104 -1.476 1 0 0 59 A
-ATOM 470 CG . LEU A 1 59 . 8.22138 -1.29304 -2.50365 1 0 0 59 A
-ATOM 471 CD1 . LEU A 1 59 . 6.96095 -0.620536 -1.92861 1 0 0 59 A
-ATOM 472 CD2 . LEU A 1 59 . 8.56609 -0.572741 -3.82044 1 0 0 59 A
-ATOM 473 N . GLU A 1 60 . 11.995 -2.12033 0.208999 1 0 0 60 A
-ATOM 474 CA . GLU A 1 60 . 13.1039 -1.77671 1.08356 1 0 0 60 A
-ATOM 475 C . GLU A 1 60 . 14.4316 -2.1775 0.466966 1 0 0 60 A
-ATOM 476 O . GLU A 1 60 . 15.4313 -1.44584 0.600525 1 0 0 60 A
-ATOM 477 CB . GLU A 1 60 . 12.8851 -2.45092 2.46199 1 0 0 60 A
-ATOM 478 CG . GLU A 1 60 . 13.9603 -2.13553 3.54736 1 0 0 60 A
-ATOM 479 CD . GLU A 1 60 . 14.0117 -0.684357 4.02939 1 0 0 60 A
-ATOM 480 OE1 . GLU A 1 60 . 12.9809 -0.00393164 3.78052 1 0 0 60 A
-ATOM 481 OE2 . GLU A 1 60 . 15.0327 -0.251665 4.60638 1 0 0 60 A
-ATOM 482 N . ARG A 1 61 . 14.4736 -3.33077 -0.211043 1 0 0 61 A
-ATOM 483 CA . ARG A 1 61 . 15.697 -3.74361 -0.88216 1 0 0 61 A
-ATOM 484 C . ARG A 1 61 . 16.059 -2.78166 -2.00631 1 0 0 61 A
-ATOM 485 O . ARG A 1 61 . 17.2516 -2.49163 -2.22369 1 0 0 61 A
-ATOM 486 CB . ARG A 1 61 . 15.5588 -5.21411 -1.38428 1 0 0 61 A
-ATOM 487 CG . ARG A 1 61 . 16.8119 -5.81798 -2.06799 1 0 0 61 A
-ATOM 488 CD . ARG A 1 61 . 16.6096 -7.25137 -2.59338 1 0 0 61 A
-ATOM 489 NE . ARG A 1 61 . 15.5418 -7.1888 -3.64496 1 0 0 61 A
-ATOM 490 CZ . ARG A 1 61 . 15.7896 -6.85666 -4.91927 1 0 0 61 A
-ATOM 491 NH1 . ARG A 1 61 . 17.0433 -6.57071 -5.2588 1 0 0 61 A
-ATOM 492 NH2 . ARG A 1 61 . 14.833 -6.83255 -5.84303 1 0 0 61 A
-ATOM 493 N . ARG A 1 62 . 15.0553 -2.27775 -2.72944 1 0 0 62 A
-ATOM 494 CA . ARG A 1 62 . 15.3238 -1.31662 -3.78799 1 0 0 62 A
-ATOM 495 C . ARG A 1 62 . 15.8011 0.0125081 -3.21667 1 0 0 62 A
-ATOM 496 O . ARG A 1 62 . 16.6914 0.65751 -3.79364 1 0 0 62 A
-ATOM 497 CB . ARG A 1 62 . 14.0622 -1.15288 -4.69077 1 0 0 62 A
-ATOM 498 CG . ARG A 1 62 . 13.5656 -2.43752 -5.40181 1 0 0 62 A
-ATOM 499 CD . ARG A 1 62 . 14.5412 -2.98488 -6.46021 1 0 0 62 A
-ATOM 500 NE . ARG A 1 62 . 13.8521 -4.12714 -7.14606 1 0 0 62 A
-ATOM 501 CZ . ARG A 1 62 . 14.357 -4.74513 -8.22249 1 0 0 62 A
-ATOM 502 NH1 . ARG A 1 62 . 15.5238 -4.31955 -8.69827 1 0 0 62 A
-ATOM 503 NH2 . ARG A 1 62 . 13.7433 -5.77372 -8.80066 1 0 0 62 A
-ATOM 504 N . ALA A 1 63 . 15.2078 0.447205 -2.10343 1 0 0 63 A
-ATOM 505 CA . ALA A 1 63 . 15.6305 1.68954 -1.48527 1 0 0 63 A
-ATOM 506 C . ALA A 1 63 . 17.0529 1.58141 -0.947317 1 0 0 63 A
-ATOM 507 O . ALA A 1 63 . 17.8239 2.55778 -1.00133 1 0 0 63 A
-ATOM 508 CB . ALA A 1 63 . 14.6398 2.09642 -0.364763 1 0 0 63 A
-ATOM 509 N . GLN A 1 64 . 17.4256 0.406693 -0.429748 1 0 0 64 A
-ATOM 510 CA . GLN A 1 64 . 18.7856 0.214177 0.0483445 1 0 0 64 A
-ATOM 511 C . GLN A 1 64 . 19.7856 0.258976 -1.10239 1 0 0 64 A
-ATOM 512 O . GLN A 1 64 . 20.9098 0.758905 -0.934084 1 0 0 64 A
-ATOM 513 CB . GLN A 1 64 . 18.8619 -1.12708 0.821458 1 0 0 64 A
-ATOM 514 CG . GLN A 1 64 . 18.0048 -1.20455 2.11055 1 0 0 64 A
-ATOM 515 CD . GLN A 1 64 . 17.9747 -2.6119 2.71 1 0 0 64 A
-ATOM 516 OE1 . GLN A 1 64 . 18.5117 -3.56323 2.1447 1 0 0 64 A
-ATOM 517 NE2 . GLN A 1 64 . 17.3391 -2.75748 3.89207 1 0 0 64 A
-ATOM 518 N . GLU A 1 65 . 19.3937 -0.251006 -2.27237 1 0 0 65 A
-ATOM 519 CA . GLU A 1 65 . 20.2683 -0.179184 -3.43096 1 0 0 65 A
-ATOM 520 C . GLU A 1 65 . 20.4237 1.25802 -3.91571 1 0 0 65 A
-ATOM 521 O . GLU A 1 65 . 21.5177 1.66108 -4.32894 1 0 0 65 A
-ATOM 522 CB . GLU A 1 65 . 19.7063 -1.10163 -4.54261 1 0 0 65 A
-ATOM 523 CG . GLU A 1 65 . 19.6893 -2.62609 -4.21192 1 0 0 65 A
-ATOM 524 CD . GLU A 1 65 . 18.9636 -3.51685 -5.2223 1 0 0 65 A
-ATOM 525 OE1 . GLU A 1 65 . 18.3347 -2.89829 -6.12202 1 0 0 65 A
-ATOM 526 OE2 . GLU A 1 65 . 19.0091 -4.7607 -5.10708 1 0 0 65 A
-ATOM 527 N . LEU A 1 66 . 19.3468 2.0429 -3.85961 1 0 0 66 A
-ATOM 528 CA . LEU A 1 66 . 19.4414 3.43829 -4.26159 1 0 0 66 A
-ATOM 529 C . LEU A 1 66 . 20.2866 4.24654 -3.28395 1 0 0 66 A
-ATOM 530 O . LEU A 1 66 . 21.0063 5.16647 -3.69517 1 0 0 66 A
-ATOM 531 CB . LEU A 1 66 . 18.0037 4.002 -4.3946 1 0 0 66 A
-ATOM 532 CG . LEU A 1 66 . 17.1324 3.47006 -5.56102 1 0 0 66 A
-ATOM 533 CD1 . LEU A 1 66 . 15.6876 3.98766 -5.43391 1 0 0 66 A
-ATOM 534 CD2 . LEU A 1 66 . 17.6583 3.91013 -6.93993 1 0 0 66 A
-ATOM 535 N . ALA A 1 67 . 20.2091 3.91605 -1.99064 1 0 0 67 A
-ATOM 536 CA . ALA A 1 67 . 21.0217 4.61215 -1.00992 1 0 0 67 A
-ATOM 537 C . ALA A 1 67 . 22.5061 4.36528 -1.2237 1 0 0 67 A
-ATOM 538 O . ALA A 1 67 . 23.333 5.2218 -0.866208 1 0 0 67 A
-ATOM 539 CB . ALA A 1 67 . 20.5882 4.20103 0.420313 1 0 0 67 A
-ATOM 540 N . SER A 1 68 . 22.8642 3.20581 -1.7895 1 0 0 68 A
-ATOM 541 CA . SER A 1 68 . 24.2702 2.928 -2.06327 1 0 0 68 A
-ATOM 542 C . SER A 1 68 . 24.8323 3.83818 -3.14296 1 0 0 68 A
-ATOM 543 O . SER A 1 68 . 26.068 3.97416 -3.24647 1 0 0 68 A
-ATOM 544 CB . SER A 1 68 . 24.4776 1.42401 -2.4219 1 0 0 68 A
-ATOM 545 OG . SER A 1 68 . 23.7796 1.04491 -3.61103 1 0 0 68 A
-ATOM 546 N . ARG A 1 69 . 23.9742 4.45824 -3.95238 1 0 0 69 A
-ATOM 547 CA . ARG A 1 69 . 24.4271 5.38514 -4.97544 1 0 0 69 A
-ATOM 548 C . ARG A 1 69 . 24.4903 6.82402 -4.47565 1 0 0 69 A
-ATOM 549 O . ARG A 1 69 . 25.3814 7.58201 -4.89426 1 0 0 69 A
-ATOM 550 CB . ARG A 1 69 . 23.5213 5.23697 -6.23685 1 0 0 69 A
-ATOM 551 CG . ARG A 1 69 . 23.5097 3.83744 -6.90297 1 0 0 69 A
-ATOM 552 CD . ARG A 1 69 . 22.6235 3.74871 -8.15927 1 0 0 69 A
-ATOM 553 NE . ARG A 1 69 . 22.6559 2.32214 -8.62171 1 0 0 69 A
-ATOM 554 CZ . ARG A 1 69 . 21.9729 1.88388 -9.68802 1 0 0 69 A
-ATOM 555 NH1 . ARG A 1 69 . 21.2345 2.76119 -10.3619 1 0 0 69 A
-ATOM 556 NH2 . ARG A 1 69 . 22.0355 0.620172 -10.0979 1 0 0 69 A
-ATOM 557 N . ASP A 1 70 . 23.5847 7.21499 -3.58247 1 0 0 70 A
-ATOM 558 CA . ASP A 1 70 . 23.5998 8.55104 -3.0098 1 0 0 70 A
-ATOM 559 C . ASP A 1 70 . 22.9756 8.49578 -1.62628 1 0 0 70 A
-ATOM 560 O . ASP A 1 70 . 21.866 7.97299 -1.47037 1 0 0 70 A
-ATOM 561 CB . ASP A 1 70 . 22.8941 9.54043 -3.98793 1 0 0 70 A
-ATOM 562 CG . ASP A 1 70 . 22.8821 10.9682 -3.46666 1 0 0 70 A
-ATOM 563 OD1 . ASP A 1 70 . 23.7515 11.2941 -2.61491 1 0 0 70 A
-ATOM 564 OD2 . ASP A 1 70 . 21.9044 11.6876 -3.76527 1 0 0 70 A
-ATOM 565 N . PRO A 1 71 . 23.6796 9.04237 -0.632448 1 0 0 71 A
-ATOM 566 CA . PRO A 1 71 . 23.1645 9.01896 0.727062 1 0 0 71 A
-ATOM 567 C . PRO A 1 71 . 21.8675 9.80006 0.854735 1 0 0 71 A
-ATOM 568 O . PRO A 1 71 . 20.9454 9.36291 1.56606 1 0 0 71 A
-ATOM 569 CB . PRO A 1 71 . 24.3092 9.68107 1.51634 1 0 0 71 A
-ATOM 570 CG . PRO A 1 71 . 25.5629 9.38001 0.692623 1 0 0 71 A
-ATOM 571 CD . PRO A 1 71 . 25.0676 9.49015 -0.750811 1 0 0 71 A
-ATOM 572 N . GLU A 1 72 . 21.7568 10.9474 0.176874 1 0 0 72 A
-ATOM 573 CA . GLU A 1 72 . 20.5385 11.7382 0.254363 1 0 0 72 A
-ATOM 574 C . GLU A 1 72 . 19.367 11.0035 -0.393052 1 0 0 72 A
-ATOM 575 O . GLU A 1 72 . 18.2417 11.0124 0.138981 1 0 0 72 A
-ATOM 576 CB . GLU A 1 72 . 20.7881 13.1165 -0.409286 1 0 0 72 A
-ATOM 577 CG . GLU A 1 72 . 19.6307 14.1532 -0.271086 1 0 0 72 A
-ATOM 578 CD . GLU A 1 72 . 19.3586 14.6599 1.1467 1 0 0 72 A
-ATOM 579 OE1 . GLU A 1 72 . 20.3543 14.6422 1.91858 1 0 0 72 A
-ATOM 580 OE2 . GLU A 1 72 . 18.2105 15.0354 1.46827 1 0 0 72 A
-ATOM 581 N . LEU A 1 73 . 19.6168 10.3631 -1.54205 1 0 0 73 A
-ATOM 582 CA . LEU A 1 73 . 18.5542 9.59674 -2.17774 1 0 0 73 A
-ATOM 583 C . LEU A 1 73 . 18.1492 8.39364 -1.3276 1 0 0 73 A
-ATOM 584 O . LEU A 1 73 . 16.955 8.08152 -1.20933 1 0 0 73 A
-ATOM 585 CB . LEU A 1 73 . 19.0354 9.17777 -3.59032 1 0 0 73 A
-ATOM 586 CG . LEU A 1 73 . 18.0217 8.43898 -4.50084 1 0 0 73 A
-ATOM 587 CD1 . LEU A 1 73 . 16.708 9.23611 -4.60222 1 0 0 73 A
-ATOM 588 CD2 . LEU A 1 73 . 18.5499 8.24002 -5.93367 1 0 0 73 A
-ATOM 589 N . GLY A 1 74 . 19.1357 7.73088 -0.719773 1 0 0 74 A
-ATOM 590 CA . GLY A 1 74 . 18.8381 6.59055 0.130651 1 0 0 74 A
-ATOM 591 C . GLY A 1 74 . 18.0419 6.98778 1.36419 1 0 0 74 A
-ATOM 592 O . GLY A 1 74 . 17.1748 6.22998 1.82513 1 0 0 74 A
-ATOM 593 N . LYS A 1 75 . 18.3301 8.16714 1.91769 1 0 0 75 A
-ATOM 594 CA . LYS A 1 75 . 17.5861 8.62007 3.08425 1 0 0 75 A
-ATOM 595 C . LYS A 1 75 . 16.1345 8.93274 2.72649 1 0 0 75 A
-ATOM 596 O . LYS A 1 75 . 15.2192 8.66015 3.51917 1 0 0 75 A
-ATOM 597 CB . LYS A 1 75 . 18.2994 9.86244 3.70184 1 0 0 75 A
-ATOM 598 CG . LYS A 1 75 . 17.7475 10.3467 5.05555 1 0 0 75 A
-ATOM 599 CD . LYS A 1 75 . 18.5437 11.5223 5.65199 1 0 0 75 A
-ATOM 600 CE . LYS A 1 75 . 18.0911 11.8701 7.07151 1 0 0 75 A
-ATOM 601 NZ . LYS A 1 75 . 16.6899 12.28 7.07436 1 0 0 75 A
-ATOM 602 N . GLN A 1 76 . 15.9151 9.5125 1.54262 1 0 0 76 A
-ATOM 603 CA . GLN A 1 76 . 14.5556 9.81754 1.12806 1 0 0 76 A
-ATOM 604 C . GLN A 1 76 . 13.7835 8.54323 0.801271 1 0 0 76 A
-ATOM 605 O . GLN A 1 76 . 12.602 8.41117 1.16114 1 0 0 76 A
-ATOM 606 CB . GLN A 1 76 . 14.6019 10.7852 -0.0818633 1 0 0 76 A
-ATOM 607 CG . GLN A 1 76 . 15.0957 12.221 0.229869 1 0 0 76 A
-ATOM 608 CD . GLN A 1 76 . 15.2442 13.0757 -1.03046 1 0 0 76 A
-ATOM 609 OE1 . GLN A 1 76 . 14.9932 12.6243 -2.14677 1 0 0 76 A
-ATOM 610 NE2 . GLN A 1 76 . 15.6547 14.3501 -0.857826 1 0 0 76 A
-ATOM 611 N . ALA A 1 77 . 14.43 7.59805 0.121703 1 0 0 77 A
-ATOM 612 CA . ALA A 1 77 . 13.7504 6.35616 -0.205682 1 0 0 77 A
-ATOM 613 C . ALA A 1 77 . 13.4691 5.52854 1.04261 1 0 0 77 A
-ATOM 614 O . ALA A 1 77 . 12.4142 4.87712 1.14229 1 0 0 77 A
-ATOM 615 CB . ALA A 1 77 . 14.5816 5.5484 -1.23481 1 0 0 77 A
-ATOM 616 N . ARG A 1 78 . 14.3977 5.5457 2.00791 1 0 0 78 A
-ATOM 617 CA . ARG A 1 78 . 14.1851 4.77622 3.2256 1 0 0 78 A
-ATOM 618 C . ARG A 1 78 . 13.0217 5.33526 4.03984 1 0 0 78 A
-ATOM 619 O . ARG A 1 78 . 12.2724 4.5697 4.66647 1 0 0 78 A
-ATOM 620 CB . ARG A 1 78 . 15.5076 4.7136 4.05057 1 0 0 78 A
-ATOM 621 CG . ARG A 1 78 . 15.4479 3.89744 5.36693 1 0 0 78 A
-ATOM 622 CD . ARG A 1 78 . 16.8136 3.71797 6.05545 1 0 0 78 A
-ATOM 623 NE . ARG A 1 78 . 17.6371 2.82505 5.1753 1 0 0 78 A
-ATOM 624 CZ . ARG A 1 78 . 18.6806 3.26548 4.45924 1 0 0 78 A
-ATOM 625 NH1 . ARG A 1 78 . 18.9938 4.55565 4.53846 1 0 0 78 A
-ATOM 626 NH2 . ARG A 1 78 . 19.4147 2.45247 3.70499 1 0 0 78 A
-ATOM 627 N . GLU A 1 79 . 12.851 6.66056 4.04179 1 0 0 79 A
-ATOM 628 CA . GLU A 1 79 . 11.7337 7.24112 4.76363 1 0 0 79 A
-ATOM 629 C . GLU A 1 79 . 10.408 6.88516 4.1044 1 0 0 79 A
-ATOM 630 O . GLU A 1 79 . 9.41766 6.59657 4.79895 1 0 0 79 A
-ATOM 631 CB . GLU A 1 79 . 11.9359 8.77527 4.85289 1 0 0 79 A
-ATOM 632 CG . GLU A 1 79 . 13.133 9.24946 5.7337 1 0 0 79 A
-ATOM 633 CD . GLU A 1 79 . 13.3691 10.7605 5.77562 1 0 0 79 A
-ATOM 634 OE1 . GLU A 1 79 . 12.5958 11.4405 5.04954 1 0 0 79 A
-ATOM 635 OE2 . GLU A 1 79 . 14.287 11.2319 6.48128 1 0 0 79 A
-ATOM 636 N . GLN A 1 80 . 10.3715 6.88547 2.76958 1 0 0 80 A
-ATOM 637 CA . GLN A 1 80 . 9.14853 6.50299 2.08242 1 0 0 80 A
-ATOM 638 C . GLN A 1 80 . 8.82273 5.03377 2.31171 1 0 0 80 A
-ATOM 639 O . GLN A 1 80 . 7.65159 4.67458 2.50933 1 0 0 80 A
-ATOM 640 CB . GLN A 1 80 . 9.2978 6.8278 0.574203 1 0 0 80 A
-ATOM 641 CG . GLN A 1 80 . 9.51972 8.32316 0.231927 1 0 0 80 A
-ATOM 642 CD . GLN A 1 80 . 9.88371 8.53952 -1.23831 1 0 0 80 A
-ATOM 643 OE1 . GLN A 1 80 . 9.0203 8.60128 -2.11216 1 0 0 80 A
-ATOM 644 NE2 . GLN A 1 80 . 11.1958 8.66815 -1.52885 1 0 0 80 A
-ATOM 645 N . VAL A 1 81 . 9.84335 4.16719 2.29447 1 0 0 81 A
-ATOM 646 CA . VAL A 1 81 . 9.59867 2.7534 2.52091 1 0 0 81 A
-ATOM 647 C . VAL A 1 81 . 9.15361 2.48671 3.95347 1 0 0 81 A
-ATOM 648 O . VAL A 1 81 . 8.30172 1.61894 4.19231 1 0 0 81 A
-ATOM 649 CB . VAL A 1 81 . 10.8838 1.92627 2.16154 1 0 0 81 A
-ATOM 650 CG1 . VAL A 1 81 . 10.7769 0.426984 2.49667 1 0 0 81 A
-ATOM 651 CG2 . VAL A 1 81 . 11.2735 2.07287 0.678885 1 0 0 81 A
-ATOM 652 N . GLU A 1 82 . 9.71556 3.2208 4.92084 1 0 0 82 A
-ATOM 653 CA . GLU A 1 82 . 9.28529 3.05319 6.30115 1 0 0 82 A
-ATOM 654 C . GLU A 1 82 . 7.8349 3.48628 6.48574 1 0 0 82 A
-ATOM 655 O . GLU A 1 82 . 7.09847 2.87701 7.27867 1 0 0 82 A
-ATOM 656 CB . GLU A 1 82 . 10.2431 3.8487 7.22432 1 0 0 82 A
-ATOM 657 CG . GLU A 1 82 . 11.6668 3.23826 7.40861 1 0 0 82 A
-ATOM 658 CD . GLU A 1 82 . 12.6779 4.12075 8.14334 1 0 0 82 A
-ATOM 659 OE1 . GLU A 1 82 . 12.2438 5.25125 8.49134 1 0 0 82 A
-ATOM 660 OE2 . GLU A 1 82 . 13.8413 3.7088 8.34187 1 0 0 82 A
-ATOM 661 N . ASN A 1 83 . 7.4108 4.53371 5.77562 1 0 0 83 A
-ATOM 662 CA . ASN A 1 83 . 6.02785 4.96982 5.86984 1 0 0 83 A
-ATOM 663 C . ASN A 1 83 . 5.08477 3.93943 5.26038 1 0 0 83 A
-ATOM 664 O . ASN A 1 83 . 4.00744 3.66897 5.81132 1 0 0 83 A
-ATOM 665 CB . ASN A 1 83 . 5.9253 6.36954 5.18876 1 0 0 83 A
-ATOM 666 CG . ASN A 1 83 . 6.79041 7.45104 5.83902 1 0 0 83 A
-ATOM 667 OD1 . ASN A 1 83 . 7.13298 7.40378 7.01941 1 0 0 83 A
-ATOM 668 ND2 . ASN A 1 83 . 7.1498 8.48239 5.04551 1 0 0 83 A
-ATOM 669 N . ILE A 1 84 . 5.47403 3.35248 4.12238 1 0 0 84 A
-ATOM 670 CA . ILE A 1 84 . 4.64632 2.3221 3.51505 1 0 0 84 A
-ATOM 671 C . ILE A 1 84 . 4.57915 1.08069 4.39505 1 0 0 84 A
-ATOM 672 O . ILE A 1 84 . 3.50956 0.464483 4.52814 1 0 0 84 A
-ATOM 673 CB . ILE A 1 84 . 5.15207 2.01445 2.06093 1 0 0 84 A
-ATOM 674 CG1 . ILE A 1 84 . 5.11209 3.24273 1.11636 1 0 0 84 A
-ATOM 675 CG2 . ILE A 1 84 . 4.49838 0.764045 1.4193 1 0 0 84 A
-ATOM 676 CD1 . ILE A 1 84 . 5.66999 2.97034 -0.29295 1 0 0 84 A
-ATOM 677 N . LYS A 1 85 . 5.70827 0.696593 4.99967 1 0 0 85 A
-ATOM 678 CA . LYS A 1 85 . 5.71357 -0.468986 5.87229 1 0 0 85 A
-ATOM 679 C . LYS A 1 85 . 4.82954 -0.249346 7.094 1 0 0 85 A
-ATOM 680 O . LYS A 1 85 . 4.14478 -1.18005 7.54388 1 0 0 85 A
-ATOM 681 CB . LYS A 1 85 . 7.18167 -0.79764 6.28494 1 0 0 85 A
-ATOM 682 CG . LYS A 1 85 . 7.36024 -2.01658 7.20901 1 0 0 85 A
-ATOM 683 CD . LYS A 1 85 . 8.83587 -2.37193 7.46945 1 0 0 85 A
-ATOM 684 CE . LYS A 1 85 . 8.98916 -3.65994 8.28088 1 0 0 85 A
-ATOM 685 NZ . LYS A 1 85 . 10.3997 -4.00888 8.42282 1 0 0 85 A
-ATOM 686 N . LYS A 1 86 . 4.83316 0.970657 7.64023 1 0 0 86 A
-ATOM 687 CA . LYS A 1 86 . 3.99098 1.24929 8.79289 1 0 0 86 A
-ATOM 688 C . LYS A 1 86 . 2.51295 1.19795 8.42672 1 0 0 86 A
-ATOM 689 O . LYS A 1 86 . 1.69016 0.700333 9.2148 1 0 0 86 A
-ATOM 690 CB . LYS A 1 86 . 4.38036 2.63652 9.39084 1 0 0 86 A
-ATOM 691 CG . LYS A 1 86 . 3.67196 3.02258 10.7026 1 0 0 86 A
-ATOM 692 CD . LYS A 1 86 . 4.10765 4.39508 11.2485 1 0 0 86 A
-ATOM 693 CE . LYS A 1 86 . 3.47589 4.70777 12.6065 1 0 0 86 A
-ATOM 694 NZ . LYS A 1 86 . 2.03246 4.49354 12.5593 1 0 0 86 A
-ATOM 695 N . GLU A 1 87 . 2.15549 1.70484 7.24046 1 0 0 87 A
-ATOM 696 CA . GLU A 1 87 . 0.770622 1.6303 6.80243 1 0 0 87 A
-ATOM 697 C . GLU A 1 87 . 0.345275 0.187736 6.55716 1 0 0 87 A
-ATOM 698 O . GLU A 1 87 . -0.788354 -0.195742 6.88893 1 0 0 87 A
-ATOM 699 CB . GLU A 1 87 . 0.59901 2.50246 5.53263 1 0 0 87 A
-ATOM 700 CG . GLU A 1 87 . 0.852236 4.03006 5.72215 1 0 0 87 A
-ATOM 701 CD . GLU A 1 87 . 0.692046 4.8906 4.46728 1 0 0 87 A
-ATOM 702 OE1 . GLU A 1 87 . 0.343053 4.26262 3.43217 1 0 0 87 A
-ATOM 703 OE2 . GLU A 1 87 . 0.920495 6.11857 4.51633 1 0 0 87 A
-ATOM 704 N . ILE A 1 88 . 1.24087 -0.625217 5.98651 1 0 0 88 A
-ATOM 705 CA . ILE A 1 88 . 0.916107 -2.02406 5.76731 1 0 0 88 A
-ATOM 706 C . ILE A 1 88 . 0.775942 -2.77468 7.08778 1 0 0 88 A
-ATOM 707 O . ILE A 1 88 . -0.103089 -3.64283 7.2211 1 0 0 88 A
-ATOM 708 CB . ILE A 1 88 . 1.97162 -2.6736 4.80352 1 0 0 88 A
-ATOM 709 CG1 . ILE A 1 88 . 1.84922 -2.1945 3.33452 1 0 0 88 A
-ATOM 710 CG2 . ILE A 1 88 . 2.05207 -4.21797 4.90829 1 0 0 88 A
-ATOM 711 CD1 . ILE A 1 88 . 2.98147 -2.6895 2.4155 1 0 0 88 A
-ATOM 712 N . ASP A 1 89 . 1.63289 -2.46007 8.06386 1 0 0 89 A
-ATOM 713 CA . ASP A 1 89 . 1.5439 -3.12706 9.35491 1 0 0 89 A
-ATOM 714 C . ASP A 1 89 . 0.239666 -2.79466 10.0653 1 0 0 89 A
-ATOM 715 O . ASP A 1 89 . -0.339743 -3.66064 10.744 1 0 0 89 A
-ATOM 716 CB . ASP A 1 89 . 2.82363 -2.76078 10.1684 1 0 0 89 A
-ATOM 717 CG . ASP A 1 89 . 4.06538 -3.47135 9.65503 1 0 0 89 A
-ATOM 718 OD1 . ASP A 1 89 . 3.90985 -4.54444 9.01325 1 0 0 89 A
-ATOM 719 OD2 . ASP A 1 89 . 5.17664 -3.0594 10.0524 1 0 0 89 A
-ATOM 720 N . GLU A 1 90 . -0.237496 -1.55458 9.92267 1 0 0 90 A
-ATOM 721 CA . GLU A 1 90 . -1.49825 -1.18723 10.5486 1 0 0 90 A
-ATOM 722 C . GLU A 1 90 . -2.67534 -1.90708 9.9017 1 0 0 90 A
-ATOM 723 O . GLU A 1 90 . -3.609 -2.33325 10.5964 1 0 0 90 A
-ATOM 724 CB . GLU A 1 90 . -1.65851 0.352803 10.4772 1 0 0 90 A
-ATOM 725 CG . GLU A 1 90 . -0.553152 1.18205 11.2012 1 0 0 90 A
-ATOM 726 CD . GLU A 1 90 . -0.586277 2.69158 10.9539 1 0 0 90 A
-ATOM 727 OE1 . GLU A 1 90 . -1.42421 3.07174 10.0932 1 0 0 90 A
-ATOM 728 OE2 . GLU A 1 90 . 0.194494 3.44531 11.5743 1 0 0 90 A
-ATOM 729 N . LEU A 1 91 . -2.6467 -2.0472 8.56544 1 0 0 91 A
-ATOM 730 CA . LEU A 1 91 . -3.70927 -2.78107 7.89615 1 0 0 91 A
-ATOM 731 C . LEU A 1 91 . -3.67918 -4.26277 8.2597 1 0 0 91 A
-ATOM 732 O . LEU A 1 91 . -4.74051 -4.90064 8.3772 1 0 0 91 A
-ATOM 733 CB . LEU A 1 91 . -3.5701 -2.55173 6.36954 1 0 0 91 A
-ATOM 734 CG . LEU A 1 91 . -4.61695 -3.22666 5.44701 1 0 0 91 A
-ATOM 735 CD1 . LEU A 1 91 . -4.19495 -4.67106 5.11957 1 0 0 91 A
-ATOM 736 CD2 . LEU A 1 91 . -6.01566 -3.29098 6.08817 1 0 0 91 A
-ATOM 737 N . ILE A 1 92 . -2.47889 -4.8228 8.43441 1 0 0 92 A
-ATOM 738 CA . ILE A 1 92 . -2.36976 -6.22595 8.81029 1 0 0 92 A
-ATOM 739 C . ILE A 1 92 . -2.90472 -6.4723 10.2129 1 0 0 92 A
-ATOM 740 O . ILE A 1 92 . -3.56886 -7.49668 10.4589 1 0 0 92 A
-ATOM 741 CB . ILE A 1 92 . -0.888097 -6.7116 8.62668 1 0 0 92 A
-ATOM 742 CG1 . ILE A 1 92 . -0.439132 -6.79024 7.14522 1 0 0 92 A
-ATOM 743 CG2 . ILE A 1 92 . -0.549611 -8.00678 9.40799 1 0 0 92 A
-ATOM 744 CD1 . ILE A 1 92 . 1.05071 -7.13172 6.95718 1 0 0 92 A
-ATOM 745 N . LYS A 1 93 . -2.63289 -5.55114 11.1474 1 0 0 93 A
-ATOM 746 CA . LYS A 1 93 . -3.13947 -5.71692 12.4995 1 0 0 93 A
-ATOM 747 C . LYS A 1 93 . -4.66083 -5.65284 12.5392 1 0 0 93 A
-ATOM 748 O . LYS A 1 93 . -5.30158 -6.39503 13.3046 1 0 0 93 A
-ATOM 749 CB . LYS A 1 93 . -2.50085 -4.63283 13.4218 1 0 0 93 A
-ATOM 750 CG . LYS A 1 93 . -0.978939 -4.74312 13.6297 1 0 0 93 A
-ATOM 751 CD . LYS A 1 93 . -0.420843 -3.69403 14.6092 1 0 0 93 A
-ATOM 752 CE . LYS A 1 93 . 1.09419 -3.8125 14.7868 1 0 0 93 A
-ATOM 753 NZ . LYS A 1 93 . 1.55037 -2.94612 15.8698 1 0 0 93 A
-ATOM 754 N . GLU A 1 94 . -5.26127 -4.77454 11.7261 1 0 0 94 A
-ATOM 755 CA . GLU A 1 94 . -6.71026 -4.67574 11.7106 1 0 0 94 A
-ATOM 756 C . GLU A 1 94 . -7.34287 -5.93242 11.1302 1 0 0 94 A
-ATOM 757 O . GLU A 1 94 . -8.40473 -6.38466 11.6062 1 0 0 94 A
-ATOM 758 CB . GLU A 1 94 . -7.11792 -3.40903 10.9158 1 0 0 94 A
-ATOM 759 CG . GLU A 1 94 . -8.647 -3.10371 10.8678 1 0 0 94 A
-ATOM 760 CD . GLU A 1 94 . -9.28376 -2.69027 12.1962 1 0 0 94 A
-ATOM 761 OE1 . GLU A 1 94 . -8.47432 -2.2757 13.0682 1 0 0 94 A
-ATOM 762 OE2 . GLU A 1 94 . -10.519 -2.79321 12.3577 1 0 0 94 A
-ATOM 763 N . ILE A 1 95 . -6.72545 -6.49967 10.0815 1 0 0 95 A
-ATOM 764 CA . ILE A 1 95 . -7.26479 -7.7236 9.5061 1 0 0 95 A
-ATOM 765 C . ILE A 1 95 . -7.10094 -8.91061 10.4504 1 0 0 95 A
-ATOM 766 O . ILE A 1 95 . -7.98288 -9.78178 10.5211 1 0 0 95 A
-ATOM 767 CB . ILE A 1 95 . -6.62422 -7.97205 8.09442 1 0 0 95 A
-ATOM 768 CG1 . ILE A 1 95 . -6.97739 -6.88138 7.05124 1 0 0 95 A
-ATOM 769 CG2 . ILE A 1 95 . -6.85349 -9.40234 7.54288 1 0 0 95 A
-ATOM 770 CD1 . ILE A 1 95 . -8.48951 -6.67142 6.84872 1 0 0 95 A
-ATOM 771 N . LYS A 1 96 . -5.9834 -8.95734 11.185 1 0 0 96 A
-ATOM 772 CA . LYS A 1 96 . -5.78905 -10.0506 12.1224 1 0 0 96 A
-ATOM 773 C . LYS A 1 96 . -6.79736 -9.98759 13.2636 1 0 0 96 A
-ATOM 774 O . LYS A 1 96 . -7.32046 -11.031 13.7016 1 0 0 96 A
-ATOM 775 CB . LYS A 1 96 . -4.32369 -10.0171 12.6565 1 0 0 96 A
-ATOM 776 CG . LYS A 1 96 . -3.23194 -10.3993 11.6398 1 0 0 96 A
-ATOM 777 CD . LYS A 1 96 . -1.82586 -10.489 12.2615 1 0 0 96 A
-ATOM 778 CE . LYS A 1 96 . -0.760028 -10.8774 11.2349 1 0 0 96 A
-ATOM 779 NZ . LYS A 1 96 . 0.550722 -10.9722 11.8709 1 0 0 96 A
-ATOM 780 N . LYS A 1 97 . -7.08617 -8.78133 13.7639 1 0 0 97 A
-ATOM 781 CA . LYS A 1 97 . -8.02144 -8.65286 14.8649 1 0 0 97 A
-ATOM 782 C . LYS A 1 97 . -9.43506 -9.03691 14.4357 1 0 0 97 A
-ATOM 783 O . LYS A 1 97 . -10.2077 -9.5885 15.2403 1 0 0 97 A
-ATOM 784 CB . LYS A 1 97 . -7.97191 -7.19506 15.4181 1 0 0 97 A
-ATOM 785 CG . LYS A 1 97 . -6.62742 -6.75558 16.027 1 0 0 97 A
-ATOM 786 CD . LYS A 1 97 . -6.67802 -5.35628 16.6681 1 0 0 97 A
-ATOM 787 CE . LYS A 1 97 . -5.35281 -4.97129 17.3288 1 0 0 97 A
-ATOM 788 NZ . LYS A 1 97 . -5.45214 -3.64876 17.9392 1 0 0 97 A
-ATOM 789 N . SER A 1 98 . -9.79309 -8.76042 13.1778 1 0 0 98 A
-ATOM 790 CA . SER A 1 98 . -11.1136 -9.12265 12.6925 1 0 0 98 A
-ATOM 791 C . SER A 1 98 . -11.2778 -10.6311 12.5573 1 0 0 98 A
-ATOM 792 O . SER A 1 98 . -12.4029 -11.1422 12.6598 1 0 0 98 A
-ATOM 793 CB . SER A 1 98 . -11.4305 -8.39307 11.3505 1 0 0 98 A
-ATOM 794 OG . SER A 1 98 . -10.6923 -8.92972 10.2496 1 0 0 98 A
-ATOM 795 N . CYS A 1 99 . -10.1753 -11.3519 12.3159 1 0 0 99 A
-ATOM 796 CA . CYS A 1 99 . -10.2067 -12.7982 12.1911 1 0 0 99 A
-ATOM 797 C . CYS A 1 99 . -9.96393 -13.5251 13.5106 1 0 0 99 A
-ATOM 798 O . CYS A 1 99 . -10.2772 -14.7207 13.6044 1 0 0 99 A
-ATOM 799 CB . CYS A 1 99 . -9.16131 -13.1967 11.1039 1 0 0 99 A
-ATOM 800 SG . CYS A 1 99 . -9.60198 -12.6383 9.40702 1 0 0 99 A
-ATOM 801 N . ALA A 1 100 . -9.44149 -12.8386 14.5187 1 0 0 100 A
-ATOM 802 CA . ALA A 1 100 . -9.04312 -13.4474 15.7762 1 0 0 100 A
-ATOM 803 C . ALA A 1 100 . -10.1299 -14.2586 16.4202 1 0 0 100 A
-ATOM 804 O . ALA A 1 100 . -9.42663 -14.946 17.9305 1 0 0 100 A
-ATOM 805 CB . ALA A 1 100 . -8.53253 -12.3398 16.7328 1 0 0 100 A
-#

chroma/notebooks/complex_trajectory.cif

@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
-oid sha256:9f3fb0b153aec94d899969e0c101b9b73c60ad0695bb072e15687169279d226e
-size 37828285

chroma/notebooks/infilled_protein.cif

@@ -1,1016 +0,0 @@
-data_GNR8
-#
-_entry.id   system
-#
-loop_
-_entity.id 
-_entity.type 
-_entity.pdbx_description 
-_entity.pdbx_number_of_molecules 
-1 polymer 'chain A' 1
-#
-loop_
-_entity_poly_seq.entity_id 
-_entity_poly_seq.num 
-_entity_poly_seq.mon_id 
-_entity_poly_seq.hetero 
-1 1 MET n
-1 2 LYS n
-1 3 LYS n
-1 4 ILE n
-1 5 GLU n
-1 6 GLY n
-1 7 VAL n
-1 8 LYS n
-1 9 LYS n
-1 10 ILE n
-1 11 THR n
-1 12 LEU n
-1 13 ASN n
-1 14 THR n
-1 15 HIS n
-1 16 GLU n
-1 17 VAL n
-1 18 LEU n
-1 19 ASP n
-1 20 LEU n
-1 21 GLU n
-1 22 GLY n
-1 23 ASP n
-1 24 ILE n
-1 25 SER n
-1 26 GLU n
-1 27 LEU n
-1 28 LYS n
-1 29 TYR n
-1 30 GLU n
-1 31 PHE n
-1 32 GLU n
-1 33 VAL n
-1 34 LYS n
-1 35 GLU n
-1 36 GLU n
-1 37 ARG n
-1 38 GLU n
-1 39 LEU n
-1 40 THR n
-1 41 ILE n
-1 42 SER n
-1 43 VAL n
-1 44 LYS n
-1 45 ALA n
-1 46 PRO n
-1 47 LYS n
-1 48 ASP n
-1 49 THR n
-1 50 GLU n
-1 51 VAL n
-1 52 LYS n
-1 53 VAL n
-1 54 THR n
-1 55 ILE n
-1 56 TYR n
-1 57 ARG n
-1 58 GLU n
-1 59 ASP n
-1 60 ASP n
-1 61 LEU n
-1 62 GLU n
-1 63 THR n
-1 64 PRO n
-1 65 VAL n
-1 66 ALA n
-1 67 GLU n
-1 68 ALA n
-1 69 LYS n
-1 70 SER n
-1 71 LYS n
-1 72 ASP n
-1 73 GLY n
-1 74 ASN n
-1 75 ALA n
-1 76 LYS n
-1 77 VAL n
-1 78 THR n
-1 79 VAL n
-1 80 LYS n
-1 81 LEU n
-1 82 PRO n
-1 83 ALA n
-1 84 GLY n
-1 85 LYS n
-1 86 TYR n
-1 87 ILE n
-1 88 VAL n
-1 89 LYS n
-1 90 ILE n
-1 91 GLU n
-1 92 PHE n
-1 93 LYS n
-1 94 GLY n
-1 95 ASP n
-1 96 GLY n
-1 97 LYS n
-1 98 TYR n
-1 99 LYS n
-1 100 LEU n
-1 101 GLU n
-1 102 PHE n
-1 103 THR n
-1 104 LEU n
-1 105 LYS n
-#
-loop_
-_entity_poly.entity_id 
-_entity_poly.type 
-1 polypeptide(L)
-#
-loop_
-_pdbx_struct_assembly.id 
-_pdbx_struct_assembly.details 
-1 author_and_software_defined_assembly
-#
-loop_
-_pdbx_struct_assembly_gen.assembly_id 
-_pdbx_struct_assembly_gen.oper_expression 
-_pdbx_struct_assembly_gen.asym_id_list 
-1 1 A
-#
-loop_
-_pdbx_struct_oper_list.id 
-_pdbx_struct_oper_list.type 
-_pdbx_struct_oper_list.name 
-_pdbx_struct_oper_list.matrix[1][1] 
-_pdbx_struct_oper_list.matrix[1][2] 
-_pdbx_struct_oper_list.matrix[1][3] 
-_pdbx_struct_oper_list.matrix[2][1] 
-_pdbx_struct_oper_list.matrix[2][2] 
-_pdbx_struct_oper_list.matrix[2][3] 
-_pdbx_struct_oper_list.matrix[3][1] 
-_pdbx_struct_oper_list.matrix[3][2] 
-_pdbx_struct_oper_list.matrix[3][3] 
-_pdbx_struct_oper_list.vector[1] 
-_pdbx_struct_oper_list.vector[2] 
-_pdbx_struct_oper_list.vector[3] 
-1 'identity operation' 1_555 1 0 0 0 1 0 0 0 1 0 0 0
-#
-loop_
-_atom_site.group_PDB 
-_atom_site.id 
-_atom_site.label_atom_id 
-_atom_site.label_alt_id 
-_atom_site.label_comp_id 
-_atom_site.label_asym_id 
-_atom_site.label_entity_id 
-_atom_site.label_seq_id 
-_atom_site.pdbx_PDB_ins_code 
-_atom_site.Cartn_x 
-_atom_site.Cartn_y 
-_atom_site.Cartn_z 
-_atom_site.occupancy 
-_atom_site.B_iso_or_equiv 
-_atom_site.pdbx_PDB_model_num 
-_atom_site.auth_seq_id 
-_atom_site.auth_asym_id 
-ATOM 1 N . MET A 1 1 . 2.14309 -1.781 19.4322 1 0 0 1 A
-ATOM 2 CA . MET A 1 1 . 0.865126 -1.73802 18.6613 1 0 0 1 A
-ATOM 3 C . MET A 1 1 . 0.582291 -3.07278 17.9888 1 0 0 1 A
-ATOM 4 O . MET A 1 1 . 1.49246 -3.87688 17.7748 1 0 0 1 A
-ATOM 5 CB . MET A 1 1 . 0.94666 -0.579751 17.6345 1 0 0 1 A
-ATOM 6 CG . MET A 1 1 . 1.99489 -0.747994 16.5052 1 0 0 1 A
-ATOM 7 SD . MET A 1 1 . 1.848 0.608683 15.3009 1 0 0 1 A
-ATOM 8 CE . MET A 1 1 . 0.204686 0.2118 14.6268 1 0 0 1 A
-ATOM 9 N . LYS A 1 2 . -0.683346 -3.30376 17.6563 1 0 0 2 A
-ATOM 10 CA . LYS A 1 2 . -1.07728 -4.52843 16.9866 1 0 0 2 A
-ATOM 11 C . LYS A 1 2 . -0.831899 -4.46696 15.4926 1 0 0 2 A
-ATOM 12 O . LYS A 1 2 . -1.35705 -3.59401 14.8006 1 0 0 2 A
-ATOM 13 CB . LYS A 1 2 . -2.57717 -4.8161 17.3047 1 0 0 2 A
-ATOM 14 CG . LYS A 1 2 . -2.90323 -5.11428 18.7799 1 0 0 2 A
-ATOM 15 CD . LYS A 1 2 . -4.39297 -5.41825 19.0246 1 0 0 2 A
-ATOM 16 CE . LYS A 1 2 . -4.73612 -5.48259 20.5142 1 0 0 2 A
-ATOM 17 NZ . LYS A 1 2 . -6.17395 -5.65532 20.6997 1 0 0 2 A
-ATOM 18 N . LYS A 1 3 . -0.0217829 -5.39743 14.994 1 0 0 3 A
-ATOM 19 CA . LYS A 1 3 . 0.295639 -5.45278 13.5727 1 0 0 3 A
-ATOM 20 C . LYS A 1 3 . 0.54267 -6.8822 13.1168 1 0 0 3 A
-ATOM 21 O . LYS A 1 3 . 0.814683 -7.76885 13.931 1 0 0 3 A
-ATOM 22 CB . LYS A 1 3 . 1.52979 -4.54316 13.2845 1 0 0 3 A
-ATOM 23 CG . LYS A 1 3 . 2.83352 -4.93634 14.0037 1 0 0 3 A
-ATOM 24 CD . LYS A 1 3 . 3.95564 -3.89397 13.8427 1 0 0 3 A
-ATOM 25 CE . LYS A 1 3 . 5.15259 -4.18343 14.7507 1 0 0 3 A
-ATOM 26 NZ . LYS A 1 3 . 6.18313 -3.16388 14.5772 1 0 0 3 A
-ATOM 27 N . ILE A 1 4 . 0.446031 -7.10353 11.8116 1 0 0 4 A
-ATOM 28 CA . ILE A 1 4 . 0.788574 -8.38874 11.2249 1 0 0 4 A
-ATOM 29 C . ILE A 1 4 . 2.15768 -8.30592 10.5672 1 0 0 4 A
-ATOM 30 O . ILE A 1 4 . 2.33695 -7.61063 9.56334 1 0 0 4 A
-ATOM 31 CB . ILE A 1 4 . -0.335223 -8.86981 10.2397 1 0 0 4 A
-ATOM 32 CG1 . ILE A 1 4 . -1.68839 -9.16313 10.9364 1 0 0 4 A
-ATOM 33 CG2 . ILE A 1 4 . 0.101481 -10.0259 9.30416 1 0 0 4 A
-ATOM 34 CD1 . ILE A 1 4 . -2.8414 -9.47473 9.96428 1 0 0 4 A
-ATOM 35 N . GLU A 1 5 . 3.12654 -9.00782 11.1433 1 0 0 5 A
-ATOM 36 CA . GLU A 1 5 . 4.47848 -9.0304 10.6044 1 0 0 5 A
-ATOM 37 C . GLU A 1 5 . 4.59787 -10.0417 9.46868 1 0 0 5 A
-ATOM 38 O . GLU A 1 5 . 4.58107 -11.2533 9.6965 1 0 0 5 A
-ATOM 39 CB . GLU A 1 5 . 5.47425 -9.33682 11.752 1 0 0 5 A
-ATOM 40 CG . GLU A 1 5 . 5.49252 -8.30774 12.9243 1 0 0 5 A
-ATOM 41 CD . GLU A 1 5 . 5.89434 -6.88005 12.5487 1 0 0 5 A
-ATOM 42 OE1 . GLU A 1 5 . 6.45316 -6.7624 11.4255 1 0 0 5 A
-ATOM 43 OE2 . GLU A 1 5 . 5.67721 -5.93879 13.342 1 0 0 5 A
-ATOM 44 N . GLY A 1 6 . 4.7175 -9.53007 8.24526 1 0 0 6 A
-ATOM 45 CA . GLY A 1 6 . 4.83735 -10.3663 7.06395 1 0 0 6 A
-ATOM 46 C . GLY A 1 6 . 4.40061 -9.62868 5.81329 1 0 0 6 A
-ATOM 47 O . GLY A 1 6 . 3.63596 -8.66577 5.88916 1 0 0 6 A
-ATOM 48 N . VAL A 1 7 . 4.88769 -10.0824 4.66202 1 0 0 7 A
-ATOM 49 CA . VAL A 1 7 . 4.57669 -9.43544 3.38402 1 0 0 7 A
-ATOM 50 C . VAL A 1 7 . 3.86569 -10.3714 2.42902 1 0 0 7 A
-ATOM 51 O . VAL A 1 7 . 4.28569 -11.5094 2.21402 1 0 0 7 A
-ATOM 52 CB . VAL A 1 7 . 5.89649 -8.87008 2.74889 1 0 0 7 A
-ATOM 53 CG1 . VAL A 1 7 . 6.55538 -7.74703 3.57122 1 0 0 7 A
-ATOM 54 CG2 . VAL A 1 7 . 6.94027 -9.97433 2.49842 1 0 0 7 A
-ATOM 55 N . LYS A 1 8 . 2.78069 -9.86744 1.85902 1 0 0 8 A
-ATOM 56 CA . LYS A 1 8 . 1.98169 -10.5644 0.870024 1 0 0 8 A
-ATOM 57 C . LYS A 1 8 . 2.59969 -10.3094 -0.496976 1 0 0 8 A
-ATOM 58 O . LYS A 1 8 . 2.67369 -9.14944 -0.937976 1 0 0 8 A
-ATOM 59 CB . LYS A 1 8 . 0.494484 -10.0959 0.917595 1 0 0 8 A
-ATOM 60 CG . LYS A 1 8 . -0.403826 -10.6027 -0.225989 1 0 0 8 A
-ATOM 61 CD . LYS A 1 8 . -0.65547 -12.1211 -0.175012 1 0 0 8 A
-ATOM 62 CE . LYS A 1 8 . -1.59716 -12.5919 -1.28519 1 0 0 8 A
-ATOM 63 NZ . LYS A 1 8 . -1.74737 -14.0436 -1.24552 1 0 0 8 A
-ATOM 64 N . LYS A 1 9 . 3.05569 -11.3694 -1.16298 1 0 0 9 A
-ATOM 65 CA . LYS A 1 9 . 3.64869 -11.2244 -2.47598 1 0 0 9 A
-ATOM 66 C . LYS A 1 9 . 2.57869 -11.0834 -3.53098 1 0 0 9 A
-ATOM 67 O . LYS A 1 9 . 1.74569 -11.9784 -3.68998 1 0 0 9 A
-ATOM 68 CB . LYS A 1 9 . 4.57849 -12.4423 -2.76894 1 0 0 9 A
-ATOM 69 CG . LYS A 1 9 . 5.39274 -12.3641 -4.07373 1 0 0 9 A
-ATOM 70 CD . LYS A 1 9 . 6.37042 -13.5404 -4.2525 1 0 0 9 A
-ATOM 71 CE . LYS A 1 9 . 7.25309 -13.3795 -5.49181 1 0 0 9 A
-ATOM 72 NZ . LYS A 1 9 . 8.20021 -14.4862 -5.591 1 0 0 9 A
-ATOM 73 N . ILE A 1 10 . 2.62369 -9.97344 -4.25798 1 0 0 10 A
-ATOM 74 CA . ILE A 1 10 . 1.66969 -9.69544 -5.32598 1 0 0 10 A
-ATOM 75 C . ILE A 1 10 . 2.43469 -9.25144 -6.57698 1 0 0 10 A
-ATOM 76 O . ILE A 1 10 . 3.66169 -9.16644 -6.58398 1 0 0 10 A
-ATOM 77 CB . ILE A 1 10 . 0.589865 -8.65229 -4.86694 1 0 0 10 A
-ATOM 78 CG1 . ILE A 1 10 . 1.16362 -7.2349 -4.61334 1 0 0 10 A
-ATOM 79 CG2 . ILE A 1 10 . -0.297226 -9.14071 -3.69347 1 0 0 10 A
-ATOM 80 CD1 . ILE A 1 10 . 0.0919291 -6.1609 -4.34948 1 0 0 10 A
-ATOM 81 N . THR A 1 11 . 1.70969 -8.92344 -7.62798 1 0 0 11 A
-ATOM 82 CA . THR A 1 11 . 2.31369 -8.44644 -8.85798 1 0 0 11 A
-ATOM 83 C . THR A 1 11 . 1.63769 -7.19244 -9.31598 1 0 0 11 A
-ATOM 84 O . THR A 1 11 . 0.794686 -6.64444 -8.62398 1 0 0 11 A
-ATOM 85 CB . THR A 1 11 . 2.35639 -9.5538 -9.9701 1 0 0 11 A
-ATOM 86 OG1 . THR A 1 11 . 1.04725 -9.95058 -10.3868 1 0 0 11 A
-ATOM 87 CG2 . THR A 1 11 . 3.13539 -10.8232 -9.61998 1 0 0 11 A
-ATOM 88 N . LEU A 1 12 . 2.01969 -6.67144 -10.494 1 0 0 12 A
-ATOM 89 CA . LEU A 1 12 . 1.55069 -5.33244 -11.016 1 0 0 12 A
-ATOM 90 C . LEU A 1 12 . 0.156686 -5.22344 -11.674 1 0 0 12 A
-ATOM 91 O . LEU A 1 12 . -0.176314 -4.20944 -12.306 1 0 0 12 A
-ATOM 92 CB . LEU A 1 12 . 2.68528 -4.89266 -11.9761 1 0 0 12 A
-ATOM 93 CG . LEU A 1 12 . 4.12053 -4.8111 -11.3965 1 0 0 12 A
-ATOM 94 CD1 . LEU A 1 12 . 5.09515 -4.24919 -12.4482 1 0 0 12 A
-ATOM 95 CD2 . LEU A 1 12 . 4.2068 -3.90058 -10.1575 1 0 0 12 A
-ATOM 96 N . ASN A 1 13 . -0.647314 -6.26344 -11.509 1 0 0 13 A
-ATOM 97 CA . ASN A 1 13 . -2.00231 -6.32844 -12.046 1 0 0 13 A
-ATOM 98 C . ASN A 1 13 . -2.80731 -7.06744 -10.992 1 0 0 13 A
-ATOM 99 O . ASN A 1 13 . -3.16231 -8.24144 -11.146 1 0 0 13 A
-ATOM 100 CB . ASN A 1 13 . -2.02056 -7.03658 -13.4359 1 0 0 13 A
-ATOM 101 CG . ASN A 1 13 . -3.37749 -7.00285 -14.1419 1 0 0 13 A
-ATOM 102 OD1 . ASN A 1 13 . -4.3589 -6.43667 -13.6632 1 0 0 13 A
-ATOM 103 ND2 . ASN A 1 13 . -3.44875 -7.64893 -15.3251 1 0 0 13 A
-ATOM 104 N . THR A 1 14 . -3.10231 -6.34544 -9.91598 1 0 0 14 A
-ATOM 105 CA . THR A 1 14 . -3.65131 -6.93344 -8.69998 1 0 0 14 A
-ATOM 106 C . THR A 1 14 . -4.86931 -6.19344 -8.19498 1 0 0 14 A
-ATOM 107 O . THR A 1 14 . -4.86531 -4.95444 -8.20098 1 0 0 14 A
-ATOM 108 CB . THR A 1 14 . -2.53985 -7.09289 -7.60265 1 0 0 14 A
-ATOM 109 OG1 . THR A 1 14 . -1.50092 -7.98573 -8.01297 1 0 0 14 A
-ATOM 110 CG2 . THR A 1 14 . -3.02227 -7.54663 -6.22342 1 0 0 14 A
-ATOM 111 N . HIS A 1 15 . -5.88516 -6.9327 -7.76085 1 0 0 15 A
-ATOM 112 CA . HIS A 1 15 . -7.06067 -6.35019 -7.12741 1 0 0 15 A
-ATOM 113 C . HIS A 1 15 . -7.50972 -7.2198 -5.95727 1 0 0 15 A
-ATOM 114 O . HIS A 1 15 . -7.83491 -8.39856 -6.13377 1 0 0 15 A
-ATOM 115 CB . HIS A 1 15 . -8.21785 -6.19494 -8.14689 1 0 0 15 A
-ATOM 116 CG . HIS A 1 15 . -9.51714 -5.76132 -7.53548 1 0 0 15 A
-ATOM 117 ND1 . HIS A 1 15 . -10.6198 -6.57998 -7.40002 1 0 0 15 A
-ATOM 118 CD2 . HIS A 1 15 . -9.92778 -4.51982 -7.16181 1 0 0 15 A
-ATOM 119 CE1 . HIS A 1 15 . -11.6329 -5.8079 -6.95274 1 0 0 15 A
-ATOM 120 NE2 . HIS A 1 15 . -11.2617 -4.54929 -6.80953 1 0 0 15 A
-ATOM 121 N . GLU A 1 16 . -7.52259 -6.63486 -4.76444 1 0 0 16 A
-ATOM 122 CA . GLU A 1 16 . -7.93582 -7.34802 -3.56298 1 0 0 16 A
-ATOM 123 C . GLU A 1 16 . -8.88452 -6.50254 -2.72553 1 0 0 16 A
-ATOM 124 O . GLU A 1 16 . -8.67974 -5.29789 -2.56623 1 0 0 16 A
-ATOM 125 CB . GLU A 1 16 . -6.67465 -7.75915 -2.76116 1 0 0 16 A
-ATOM 126 CG . GLU A 1 16 . -5.7798 -8.85275 -3.42212 1 0 0 16 A
-ATOM 127 CD . GLU A 1 16 . -4.57742 -9.31525 -2.59671 1 0 0 16 A
-ATOM 128 OE1 . GLU A 1 16 . -4.44066 -8.73736 -1.48544 1 0 0 16 A
-ATOM 129 OE2 . GLU A 1 16 . -3.8088 -10.1924 -3.04654 1 0 0 16 A
-ATOM 130 N . VAL A 1 17 . -9.92341 -7.14033 -2.19282 1 0 0 17 A
-ATOM 131 CA . VAL A 1 17 . -10.8295 -6.48155 -1.26576 1 0 0 17 A
-ATOM 132 C . VAL A 1 17 . -10.8441 -7.23581 0.0576448 1 0 0 17 A
-ATOM 133 O . VAL A 1 17 . -11.2019 -8.41514 0.107552 1 0 0 17 A
-ATOM 134 CB . VAL A 1 17 . -12.2725 -6.37461 -1.87512 1 0 0 17 A
-ATOM 135 CG1 . VAL A 1 17 . -13.3142 -5.77184 -0.914398 1 0 0 17 A
-ATOM 136 CG2 . VAL A 1 17 . -12.2905 -5.57065 -3.18849 1 0 0 17 A
-ATOM 137 N . LEU A 1 18 . -10.453 -6.55075 1.12703 1 0 0 18 A
-ATOM 138 CA . LEU A 1 18 . -10.3463 -7.17626 2.43944 1 0 0 18 A
-ATOM 139 C . LEU A 1 18 . -11.0615 -6.35692 3.50616 1 0 0 18 A
-ATOM 140 O . LEU A 1 18 . -11.0205 -5.12486 3.4912 1 0 0 18 A
-ATOM 141 CB . LEU A 1 18 . -8.84319 -7.37143 2.76363 1 0 0 18 A
-ATOM 142 CG . LEU A 1 18 . -7.98625 -8.15438 1.73643 1 0 0 18 A
-ATOM 143 CD1 . LEU A 1 18 . -6.49112 -8.04837 2.08989 1 0 0 18 A
-ATOM 144 CD2 . LEU A 1 18 . -8.34198 -9.65199 1.68928 1 0 0 18 A
-ATOM 145 N . ASP A 1 19 . -11.7182 -7.04893 4.4321 1 0 0 19 A
-ATOM 146 CA . ASP A 1 19 . -12.3485 -6.39736 5.57114 1 0 0 19 A
-ATOM 147 C . ASP A 1 19 . -11.5941 -6.73466 6.84988 1 0 0 19 A
-ATOM 148 O . ASP A 1 19 . -11.5912 -7.88398 7.29691 1 0 0 19 A
-ATOM 149 CB . ASP A 1 19 . -13.8569 -6.79417 5.5979 1 0 0 19 A
-ATOM 150 CG . ASP A 1 19 . -14.6377 -6.20072 4.43663 1 0 0 19 A
-ATOM 151 OD1 . ASP A 1 19 . -14.972 -4.98792 4.50716 1 0 0 19 A
-ATOM 152 OD2 . ASP A 1 19 . -15.0674 -6.98566 3.56383 1 0 0 19 A
-ATOM 153 N . LEU A 1 20 . -10.9528 -5.72948 7.43304 1 0 0 20 A
-ATOM 154 CA . LEU A 1 20 . -10.1595 -5.92453 8.63727 1 0 0 20 A
-ATOM 155 C . LEU A 1 20 . -10.8925 -5.41228 9.87262 1 0 0 20 A
-ATOM 156 O . LEU A 1 20 . -11.2985 -4.24956 9.93189 1 0 0 20 A
-ATOM 157 CB . LEU A 1 20 . -8.79115 -5.22417 8.43823 1 0 0 20 A
-ATOM 158 CG . LEU A 1 20 . -8.01297 -5.5334 7.13388 1 0 0 20 A
-ATOM 159 CD1 . LEU A 1 20 . -6.72563 -4.69127 7.06198 1 0 0 20 A
-ATOM 160 CD2 . LEU A 1 20 . -7.60018 -7.01331 7.02863 1 0 0 20 A
-ATOM 161 N . GLU A 1 21 . -11.0613 -6.29043 10.8553 1 0 0 21 A
-ATOM 162 CA . GLU A 1 21 . -11.7018 -5.9257 12.1128 1 0 0 21 A
-ATOM 163 C . GLU A 1 21 . -10.8674 -6.39955 13.2947 1 0 0 21 A
-ATOM 164 O . GLU A 1 21 . -10.3082 -7.49575 13.2714 1 0 0 21 A
-ATOM 165 CB . GLU A 1 21 . -13.1338 -6.51784 12.1478 1 0 0 21 A
-ATOM 166 CG . GLU A 1 21 . -14.1043 -6.00651 11.0386 1 0 0 21 A
-ATOM 167 CD . GLU A 1 21 . -15.5265 -6.56825 11.0899 1 0 0 21 A
-ATOM 168 OE1 . GLU A 1 21 . -15.7389 -7.3958 12.016 1 0 0 21 A
-ATOM 169 OE2 . GLU A 1 21 . -16.3717 -6.21235 10.2405 1 0 0 21 A
-ATOM 170 N . GLY A 1 22 . -10.7861 -5.56447 14.3251 1 0 0 22 A
-ATOM 171 CA . GLY A 1 22 . -10.0777 -5.92736 15.5389 1 0 0 22 A
-ATOM 172 C . GLY A 1 22 . -8.80817 -5.12813 15.7607 1 0 0 22 A
-ATOM 173 O . GLY A 1 22 . -8.78775 -3.90856 15.5815 1 0 0 22 A
-ATOM 174 N . ASP A 1 23 . -7.74353 -5.82403 16.1497 1 0 0 23 A
-ATOM 175 CA . ASP A 1 23 . -6.48777 -5.17435 16.5112 1 0 0 23 A
-ATOM 176 C . ASP A 1 23 . -5.49515 -5.0983 15.3503 1 0 0 23 A
-ATOM 177 O . ASP A 1 23 . -4.31113 -4.8213 15.5546 1 0 0 23 A
-ATOM 178 CB . ASP A 1 23 . -5.94142 -5.91852 17.7687 1 0 0 23 A
-ATOM 179 CG . ASP A 1 23 . -6.86257 -5.78811 18.9708 1 0 0 23 A
-ATOM 180 OD1 . ASP A 1 23 . -7.28004 -4.63858 19.2739 1 0 0 23 A
-ATOM 181 OD2 . ASP A 1 23 . -7.00769 -6.79069 19.7031 1 0 0 23 A
-ATOM 182 N . ILE A 1 24 . -5.97867 -5.34533 14.1372 1 0 0 24 A
-ATOM 183 CA . ILE A 1 24 . -5.14562 -5.22357 12.944 1 0 0 24 A
-ATOM 184 C . ILE A 1 24 . -4.82385 -3.75746 12.6692 1 0 0 24 A
-ATOM 185 O . ILE A 1 24 . -5.72454 -2.92171 12.5772 1 0 0 24 A
-ATOM 186 CB . ILE A 1 24 . -5.82528 -5.93985 11.7234 1 0 0 24 A
-ATOM 187 CG1 . ILE A 1 24 . -6.06816 -7.45412 11.9481 1 0 0 24 A
-ATOM 188 CG2 . ILE A 1 24 . -5.13662 -5.65524 10.3643 1 0 0 24 A
-ATOM 189 CD1 . ILE A 1 24 . -6.88084 -8.13311 10.8301 1 0 0 24 A
-ATOM 190 N . SER A 1 25 . -3.53329 -3.44965 12.5378 1 0 0 25 A
-ATOM 191 CA . SER A 1 25 . -3.0972 -2.07554 12.3814 1 0 0 25 A
-ATOM 192 C . SER A 1 25 . -2.27918 -1.80531 11.1317 1 0 0 25 A
-ATOM 193 O . SER A 1 25 . -2.11795 -0.650976 10.7281 1 0 0 25 A
-ATOM 194 CB . SER A 1 25 . -2.33548 -1.62983 13.6677 1 0 0 25 A
-ATOM 195 OG . SER A 1 25 . -3.14203 -1.73467 14.8439 1 0 0 25 A
-ATOM 196 N . GLU A 1 26 . -1.76089 -2.86167 10.5147 1 0 0 26 A
-ATOM 197 CA . GLU A 1 26 . -0.937941 -2.70954 9.32011 1 0 0 26 A
-ATOM 198 C . GLU A 1 26 . -0.958109 -3.94899 8.43732 1 0 0 26 A
-ATOM 199 O . GLU A 1 26 . -1.17271 -5.0654 8.91025 1 0 0 26 A
-ATOM 200 CB . GLU A 1 26 . 0.501321 -2.34741 9.7672 1 0 0 26 A
-ATOM 201 CG . GLU A 1 26 . 1.49097 -1.97152 8.62138 1 0 0 26 A
-ATOM 202 CD . GLU A 1 26 . 2.876 -1.49937 9.06822 1 0 0 26 A
-ATOM 203 OE1 . GLU A 1 26 . 2.93079 -0.301566 9.45535 1 0 0 26 A
-ATOM 204 OE2 . GLU A 1 26 . 3.85102 -2.27982 9.01591 1 0 0 26 A
-ATOM 205 N . LEU A 1 27 . -0.731993 -3.73546 7.14438 1 0 0 27 A
-ATOM 206 CA . LEU A 1 27 . -0.563044 -4.82704 6.19449 1 0 0 27 A
-ATOM 207 C . LEU A 1 27 . 0.520438 -4.46264 5.1898 1 0 0 27 A
-ATOM 208 O . LEU A 1 27 . 0.602107 -3.31664 4.73704 1 0 0 27 A
-ATOM 209 CB . LEU A 1 27 . -1.92031 -5.12373 5.50725 1 0 0 27 A
-ATOM 210 CG . LEU A 1 27 . -3.00739 -5.83779 6.3504 1 0 0 27 A
-ATOM 211 CD1 . LEU A 1 27 . -4.35083 -5.85095 5.59768 1 0 0 27 A
-ATOM 212 CD2 . LEU A 1 27 . -2.64392 -7.30042 6.66692 1 0 0 27 A
-ATOM 213 N . LYS A 1 28 . 1.35391 -5.44053 4.84682 1 0 0 28 A
-ATOM 214 CA . LYS A 1 28 . 2.4563 -5.22058 3.92124 1 0 0 28 A
-ATOM 215 C . LYS A 1 28 . 2.30412 -6.06424 2.66456 1 0 0 28 A
-ATOM 216 O . LYS A 1 28 . 1.87652 -7.22023 2.72404 1 0 0 28 A
-ATOM 217 CB . LYS A 1 28 . 3.80403 -5.52069 4.64732 1 0 0 28 A
-ATOM 218 CG . LYS A 1 28 . 4.18905 -4.54424 5.77421 1 0 0 28 A
-ATOM 219 CD . LYS A 1 28 . 5.53774 -4.88098 6.43696 1 0 0 28 A
-ATOM 220 CE . LYS A 1 28 . 5.99987 -3.78795 7.40268 1 0 0 28 A
-ATOM 221 NZ . LYS A 1 28 . 7.35826 -4.05674 7.86543 1 0 0 28 A
-ATOM 222 N . TYR A 1 29 . 2.65869 -5.46744 1.53202 1 0 0 29 A
-ATOM 223 CA . TYR A 1 29 . 2.67269 -6.15244 0.256023 1 0 0 29 A
-ATOM 224 C . TYR A 1 29 . 4.02969 -5.93044 -0.390976 1 0 0 29 A
-ATOM 225 O . TYR A 1 29 . 4.67769 -4.90244 -0.154976 1 0 0 29 A
-ATOM 226 CB . TYR A 1 29 . 1.49876 -5.65432 -0.642508 1 0 0 29 A
-ATOM 227 CG . TYR A 1 29 . 0.162986 -5.69069 0.0606954 1 0 0 29 A
-ATOM 228 CD1 . TYR A 1 29 . -0.223698 -4.63916 0.916776 1 0 0 29 A
-ATOM 229 CD2 . TYR A 1 29 . -0.683593 -6.81059 -0.0704795 1 0 0 29 A
-ATOM 230 CE1 . TYR A 1 29 . -1.41949 -4.71818 1.64054 1 0 0 29 A
-ATOM 231 CE2 . TYR A 1 29 . -1.87732 -6.88959 0.656697 1 0 0 29 A
-ATOM 232 CZ . TYR A 1 29 . -2.24283 -5.8435 1.51509 1 0 0 29 A
-ATOM 233 OH . TYR A 1 29 . -3.42921 -5.92768 2.2724 1 0 0 29 A
-ATOM 234 N . GLU A 1 30 . 4.46369 -6.87344 -1.21898 1 0 0 30 A
-ATOM 235 CA . GLU A 1 30 . 5.68069 -6.68044 -1.98498 1 0 0 30 A
-ATOM 236 C . GLU A 1 30 . 5.46469 -7.08944 -3.43098 1 0 0 30 A
-ATOM 237 O . GLU A 1 30 . 4.72569 -8.03644 -3.71898 1 0 0 30 A
-ATOM 238 CB . GLU A 1 30 . 6.83384 -7.48166 -1.32863 1 0 0 30 A
-ATOM 239 CG . GLU A 1 30 . 6.64276 -9.0293 -1.28512 1 0 0 30 A
-ATOM 240 CD . GLU A 1 30 . 7.82007 -9.82836 -0.722676 1 0 0 30 A
-ATOM 241 OE1 . GLU A 1 30 . 8.73957 -9.13397 -0.212838 1 0 0 30 A
-ATOM 242 OE2 . GLU A 1 30 . 7.82703 -11.0756 -0.804973 1 0 0 30 A
-ATOM 243 N . PHE A 1 31 . 6.10369 -6.35544 -4.33798 1 0 0 31 A
-ATOM 244 CA . PHE A 1 31 . 6.02769 -6.63844 -5.76798 1 0 0 31 A
-ATOM 245 C . PHE A 1 31 . 7.32569 -6.21044 -6.42098 1 0 0 31 A
-ATOM 246 O . PHE A 1 31 . 8.10269 -5.45344 -5.83798 1 0 0 31 A
-ATOM 247 CB . PHE A 1 31 . 4.78507 -5.93255 -6.39345 1 0 0 31 A
-ATOM 248 CG . PHE A 1 31 . 4.82615 -4.43117 -6.23766 1 0 0 31 A
-ATOM 249 CD1 . PHE A 1 31 . 4.27969 -3.81932 -5.09087 1 0 0 31 A
-ATOM 250 CD2 . PHE A 1 31 . 5.37052 -3.61565 -7.25091 1 0 0 31 A
-ATOM 251 CE1 . PHE A 1 31 . 4.26502 -2.42509 -4.96473 1 0 0 31 A
-ATOM 252 CE2 . PHE A 1 31 . 5.3544 -2.22103 -7.1294 1 0 0 31 A
-ATOM 253 CZ . PHE A 1 31 . 4.79891 -1.62596 -5.98274 1 0 0 31 A
-ATOM 254 N . GLU A 1 32 . 7.52869 -6.68144 -7.64098 1 0 0 32 A
-ATOM 255 CA . GLU A 1 32 . 8.69969 -6.37244 -8.42498 1 0 0 32 A
-ATOM 256 C . GLU A 1 32 . 8.27169 -5.59844 -9.65898 1 0 0 32 A
-ATOM 257 O . GLU A 1 32 . 7.16869 -5.80344 -10.192 1 0 0 32 A
-ATOM 258 CB . GLU A 1 32 . 9.45378 -7.67434 -8.79769 1 0 0 32 A
-ATOM 259 CG . GLU A 1 32 . 10.0578 -8.47223 -7.60096 1 0 0 32 A
-ATOM 260 CD . GLU A 1 32 . 10.84 -9.73399 -7.97115 1 0 0 32 A
-ATOM 261 OE1 . GLU A 1 32 . 10.7415 -10.0868 -9.17674 1 0 0 32 A
-ATOM 262 OE2 . GLU A 1 32 . 11.4977 -10.3418 -7.0991 1 0 0 32 A
-ATOM 263 N . VAL A 1 33 . 9.13869 -4.68344 -10.081 1 0 0 33 A
-ATOM 264 CA . VAL A 1 33 . 8.95869 -3.96444 -11.335 1 0 0 33 A
-ATOM 265 C . VAL A 1 33 . 10.1427 -4.33444 -12.23 1 0 0 33 A
-ATOM 266 O . VAL A 1 33 . 11.2937 -4.08844 -11.865 1 0 0 33 A
-ATOM 267 CB . VAL A 1 33 . 8.86767 -2.41109 -11.1259 1 0 0 33 A
-ATOM 268 CG1 . VAL A 1 33 . 8.75634 -1.60897 -12.4358 1 0 0 33 A
-ATOM 269 CG2 . VAL A 1 33 . 7.69771 -2.01614 -10.2057 1 0 0 33 A
-ATOM 270 N . LYS A 1 34 . 9.87869 -4.91944 -13.394 1 0 0 34 A
-ATOM 271 CA . LYS A 1 34 . 10.9637 -5.37544 -14.27 1 0 0 34 A
-ATOM 272 C . LYS A 1 34 . 11.6297 -4.26644 -15.055 1 0 0 34 A
-ATOM 273 O . LYS A 1 34 . 12.8367 -4.30944 -15.267 1 0 0 34 A
-ATOM 274 CB . LYS A 1 34 . 10.383 -6.47159 -15.216 1 0 0 34 A
-ATOM 275 CG . LYS A 1 34 . 9.83935 -7.73457 -14.5225 1 0 0 34 A
-ATOM 276 CD . LYS A 1 34 . 10.9342 -8.56894 -13.8321 1 0 0 34 A
-ATOM 277 CE . LYS A 1 34 . 10.3972 -9.892 -13.2826 1 0 0 34 A
-ATOM 278 NZ . LYS A 1 34 . 11.4967 -10.746 -12.8431 1 0 0 34 A
-ATOM 279 N . GLU A 1 35 . 10.8447 -3.31044 -15.536 1 0 0 35 A
-ATOM 280 CA . GLU A 1 35 . 11.3627 -2.18944 -16.321 1 0 0 35 A
-ATOM 281 C . GLU A 1 35 . 10.5447 -0.965442 -15.969 1 0 0 35 A
-ATOM 282 O . GLU A 1 35 . 9.35269 -1.07644 -15.65 1 0 0 35 A
-ATOM 283 CB . GLU A 1 35 . 11.301 -2.50355 -17.8376 1 0 0 35 A
-ATOM 284 CG . GLU A 1 35 . 12.2273 -3.65946 -18.327 1 0 0 35 A
-ATOM 285 CD . GLU A 1 35 . 12.2798 -3.87271 -19.8411 1 0 0 35 A
-ATOM 286 OE1 . GLU A 1 35 . 11.4776 -3.16466 -20.5065 1 0 0 35 A
-ATOM 287 OE2 . GLU A 1 35 . 13.0665 -4.71298 -20.3286 1 0 0 35 A
-ATOM 288 N . GLU A 1 36 . 11.1887 0.195558 -16.03 1 0 0 36 A
-ATOM 289 CA . GLU A 1 36 . 10.5607 1.44956 -15.614 1 0 0 36 A
-ATOM 290 C . GLU A 1 36 . 9.21769 1.63956 -16.292 1 0 0 36 A
-ATOM 291 O . GLU A 1 36 . 9.10569 1.47956 -17.505 1 0 0 36 A
-ATOM 292 CB . GLU A 1 36 . 11.5278 2.6219 -15.9187 1 0 0 36 A
-ATOM 293 CG . GLU A 1 36 . 11.0662 4.0263 -15.4205 1 0 0 36 A
-ATOM 294 CD . GLU A 1 36 . 12.0872 5.15504 -15.5765 1 0 0 36 A
-ATOM 295 OE1 . GLU A 1 36 . 12.2375 5.57792 -16.7539 1 0 0 36 A
-ATOM 296 OE2 . GLU A 1 36 . 12.7116 5.57721 -14.5793 1 0 0 36 A
-ATOM 297 N . ARG A 1 37 . 8.23769 1.98956 -15.496 1 0 0 37 A
-ATOM 298 CA . ARG A 1 37 . 6.96769 2.28656 -16.036 1 0 0 37 A
-ATOM 299 C . ARG A 1 37 . 6.20769 3.02256 -14.973 1 0 0 37 A
-ATOM 300 O . ARG A 1 37 . 6.53269 2.95256 -13.784 1 0 0 37 A
-ATOM 301 CB . ARG A 1 37 . 6.21486 1.01054 -16.5245 1 0 0 37 A
-ATOM 302 CG . ARG A 1 37 . 5.8573 -0.0268278 -15.4297 1 0 0 37 A
-ATOM 303 CD . ARG A 1 37 . 5.33164 -1.36481 -15.982 1 0 0 37 A
-ATOM 304 NE . ARG A 1 37 . 3.97911 -1.09695 -16.5727 1 0 0 37 A
-ATOM 305 CZ . ARG A 1 37 . 3.18989 -2.06407 -17.06 1 0 0 37 A
-ATOM 306 NH1 . ARG A 1 37 . 3.6342 -3.31681 -17.0137 1 0 0 37 A
-ATOM 307 NH2 . ARG A 1 37 . 1.98234 -1.80923 -17.5557 1 0 0 37 A
-ATOM 308 N . GLU A 1 38 . 5.18369 3.76056 -15.414 1 0 0 38 A
-ATOM 309 CA . GLU A 1 38 . 4.22269 4.30956 -14.478 1 0 0 38 A
-ATOM 310 C . GLU A 1 38 . 3.33769 3.19056 -14 1 0 0 38 A
-ATOM 311 O . GLU A 1 38 . 2.98869 2.27956 -14.749 1 0 0 38 A
-ATOM 312 CB . GLU A 1 38 . 3.40317 5.44411 -15.1441 1 0 0 38 A
-ATOM 313 CG . GLU A 1 38 . 4.1936 6.74993 -15.466 1 0 0 38 A
-ATOM 314 CD . GLU A 1 38 . 3.34425 8.00344 -15.6856 1 0 0 38 A
-ATOM 315 OE1 . GLU A 1 38 . 2.18448 7.78962 -16.1292 1 0 0 38 A
-ATOM 316 OE2 . GLU A 1 38 . 3.8208 9.13342 -15.4436 1 0 0 38 A
-ATOM 317 N . LEU A 1 39 . 2.99069 3.25456 -12.732 1 0 0 39 A
-ATOM 318 CA . LEU A 1 39 . 2.01369 2.34756 -12.208 1 0 0 39 A
-ATOM 319 C . LEU A 1 39 . 0.992686 3.20956 -11.477 1 0 0 39 A
-ATOM 320 O . LEU A 1 39 . 1.16569 4.42356 -11.311 1 0 0 39 A
-ATOM 321 CB . LEU A 1 39 . 2.66646 1.29713 -11.2736 1 0 0 39 A
-ATOM 322 CG . LEU A 1 39 . 3.60234 0.246161 -11.9233 1 0 0 39 A
-ATOM 323 CD1 . LEU A 1 39 . 4.27898 -0.615165 -10.8408 1 0 0 39 A
-ATOM 324 CD2 . LEU A 1 39 . 2.85131 -0.71024 -12.8682 1 0 0 39 A
-ATOM 325 N . THR A 1 40 . -0.0983143 2.56056 -11.117 1 0 0 40 A
-ATOM 326 CA . THR A 1 40 . -1.20931 3.15456 -10.422 1 0 0 40 A
-ATOM 327 C . THR A 1 40 . -1.47831 2.31956 -9.17898 1 0 0 40 A
-ATOM 328 O . THR A 1 40 . -1.72231 1.12056 -9.29498 1 0 0 40 A
-ATOM 329 CB . THR A 1 40 . -2.48746 3.34471 -11.3137 1 0 0 40 A
-ATOM 330 OG1 . THR A 1 40 . -2.27942 4.29909 -12.3581 1 0 0 40 A
-ATOM 331 CG2 . THR A 1 40 . -3.76648 3.74032 -10.573 1 0 0 40 A
-ATOM 332 N . ILE A 1 41 . -1.38831 2.93156 -7.99698 1 0 0 41 A
-ATOM 333 CA . ILE A 1 41 . -1.71331 2.26556 -6.72898 1 0 0 41 A
-ATOM 334 C . ILE A 1 41 . -2.92031 2.97956 -6.14098 1 0 0 41 A
-ATOM 335 O . ILE A 1 41 . -2.86931 4.19056 -5.90598 1 0 0 41 A
-ATOM 336 CB . ILE A 1 41 . -0.48875 2.22449 -5.74732 1 0 0 41 A
-ATOM 337 CG1 . ILE A 1 41 . 0.680635 1.33967 -6.24943 1 0 0 41 A
-ATOM 338 CG2 . ILE A 1 41 . -0.870518 1.90789 -4.27881 1 0 0 41 A
-ATOM 339 CD1 . ILE A 1 41 . 1.97475 1.48208 -5.42689 1 0 0 41 A
-ATOM 340 N . SER A 1 42 . -3.99633 2.23238 -5.91285 1 0 0 42 A
-ATOM 341 CA . SER A 1 42 . -5.23623 2.80561 -5.3964 1 0 0 42 A
-ATOM 342 C . SER A 1 42 . -5.72218 2.04998 -4.16479 1 0 0 42 A
-ATOM 343 O . SER A 1 42 . -5.85889 0.822059 -4.18935 1 0 0 42 A
-ATOM 344 CB . SER A 1 42 . -6.33669 2.86182 -6.50068 1 0 0 42 A
-ATOM 345 OG . SER A 1 42 . -5.88902 3.5277 -7.68435 1 0 0 42 A
-ATOM 346 N . VAL A 1 43 . -5.9844 2.79088 -3.09094 1 0 0 43 A
-ATOM 347 CA . VAL A 1 43 . -6.49667 2.22053 -1.8501 1 0 0 43 A
-ATOM 348 C . VAL A 1 43 . -7.73693 2.98038 -1.39758 1 0 0 43 A
-ATOM 349 O . VAL A 1 43 . -7.7737 4.2123 -1.44478 1 0 0 43 A
-ATOM 350 CB . VAL A 1 43 . -5.3875 2.22955 -0.739003 1 0 0 43 A
-ATOM 351 CG1 . VAL A 1 43 . -5.86211 1.69036 0.623204 1 0 0 43 A
-ATOM 352 CG2 . VAL A 1 43 . -4.13037 1.44949 -1.16648 1 0 0 43 A
-ATOM 353 N . LYS A 1 44 . -8.75388 2.24571 -0.955347 1 0 0 44 A
-ATOM 354 CA . LYS A 1 44 . -9.96868 2.86305 -0.434425 1 0 0 44 A
-ATOM 355 C . LYS A 1 44 . -10.2784 2.34446 0.965279 1 0 0 44 A
-ATOM 356 O . LYS A 1 44 . -10.2731 1.13448 1.20788 1 0 0 44 A
-ATOM 357 CB . LYS A 1 44 . -11.1534 2.59724 -1.41388 1 0 0 44 A
-ATOM 358 CG . LYS A 1 44 . -11.0476 3.27617 -2.79209 1 0 0 44 A
-ATOM 359 CD . LYS A 1 44 . -12.2503 2.98385 -3.7085 1 0 0 44 A
-ATOM 360 CE . LYS A 1 44 . -12.1501 3.71357 -5.04954 1 0 0 44 A
-ATOM 361 NZ . LYS A 1 44 . -13.2631 3.34065 -5.91782 1 0 0 44 A
-ATOM 362 N . ALA A 1 45 . -10.5502 3.26974 1.87945 1 0 0 45 A
-ATOM 363 CA . ALA A 1 45 . -10.8481 2.93211 3.26669 1 0 0 45 A
-ATOM 364 C . ALA A 1 45 . -12.0739 3.70442 3.74721 1 0 0 45 A
-ATOM 365 O . ALA A 1 45 . -12.5252 4.62952 3.07147 1 0 0 45 A
-ATOM 366 CB . ALA A 1 45 . -9.62324 3.2084 4.17552 1 0 0 45 A
-ATOM 367 N . PRO A 1 46 . -12.6218 3.32419 4.91766 1 0 0 46 A
-ATOM 368 CA . PRO A 1 46 . -13.7786 4.03514 5.47148 1 0 0 46 A
-ATOM 369 C . PRO A 1 46 . -13.4782 5.5045 5.74742 1 0 0 46 A
-ATOM 370 O . PRO A 1 46 . -12.3303 5.85976 6.03143 1 0 0 46 A
-ATOM 371 CB . PRO A 1 46 . -14.0378 3.25194 6.77187 1 0 0 46 A
-ATOM 372 CG . PRO A 1 46 . -13.4427 1.86753 6.50698 1 0 0 46 A
-ATOM 373 CD . PRO A 1 46 . -12.1601 2.1804 5.73372 1 0 0 46 A
-ATOM 374 N . LYS A 1 47 . -14.5039 6.34422 5.66346 1 0 0 47 A
-ATOM 375 CA . LYS A 1 47 . -14.3533 7.78821 5.82349 1 0 0 47 A
-ATOM 376 C . LYS A 1 47 . -13.8598 8.18443 7.21176 1 0 0 47 A
-ATOM 377 O . LYS A 1 47 . -13.0515 9.10612 7.3517 1 0 0 47 A
-ATOM 378 CB . LYS A 1 47 . -15.7189 8.46526 5.49121 1 0 0 47 A
-ATOM 379 CG . LYS A 1 47 . -15.705 10.0038 5.42687 1 0 0 47 A
-ATOM 380 CD . LYS A 1 47 . -17.0444 10.6058 4.96313 1 0 0 47 A
-ATOM 381 CE . LYS A 1 47 . -16.9638 12.1209 4.7665 1 0 0 47 A
-ATOM 382 NZ . LYS A 1 47 . -18.1761 12.6171 4.12163 1 0 0 47 A
-ATOM 383 N . ASP A 1 48 . -14.3393 7.48552 8.23651 1 0 0 48 A
-ATOM 384 CA . ASP A 1 48 . -13.9965 7.81645 9.61516 1 0 0 48 A
-ATOM 385 C . ASP A 1 48 . -12.6858 7.17627 10.066 1 0 0 48 A
-ATOM 386 O . ASP A 1 48 . -12.2148 7.42682 11.1765 1 0 0 48 A
-ATOM 387 CB . ASP A 1 48 . -15.2269 7.43654 10.4957 1 0 0 48 A
-ATOM 388 CG . ASP A 1 48 . -15.5129 5.94372 10.4869 1 0 0 48 A
-ATOM 389 OD1 . ASP A 1 48 . -14.9577 5.2405 9.60096 1 0 0 48 A
-ATOM 390 OD2 . ASP A 1 48 . -16.4218 5.52178 11.2342 1 0 0 48 A
-ATOM 391 N . THR A 1 49 . -12.0982 6.35089 9.20517 1 0 0 49 A
-ATOM 392 CA . THR A 1 49 . -10.8373 5.693 9.52278 1 0 0 49 A
-ATOM 393 C . THR A 1 49 . -9.65003 6.45079 8.94351 1 0 0 49 A
-ATOM 394 O . THR A 1 49 . -9.67905 6.88571 7.7898 1 0 0 49 A
-ATOM 395 CB . THR A 1 49 . -10.854 4.17977 9.10473 1 0 0 49 A
-ATOM 396 OG1 . THR A 1 49 . -11.9919 3.48849 9.62649 1 0 0 49 A
-ATOM 397 CG2 . THR A 1 49 . -9.61003 3.36995 9.47587 1 0 0 49 A
-ATOM 398 N . GLU A 1 50 . -8.6045 6.60948 9.74896 1 0 0 50 A
-ATOM 399 CA . GLU A 1 50 . -7.35621 7.18952 9.27256 1 0 0 50 A
-ATOM 400 C . GLU A 1 50 . -6.55723 6.12287 8.53168 1 0 0 50 A
-ATOM 401 O . GLU A 1 50 . -6.16679 5.10725 9.11201 1 0 0 50 A
-ATOM 402 CB . GLU A 1 50 . -6.55827 7.78001 10.463 1 0 0 50 A
-ATOM 403 CG . GLU A 1 50 . -5.284 8.59641 10.0844 1 0 0 50 A
-ATOM 404 CD . GLU A 1 50 . -4.43692 9.08846 11.2597 1 0 0 50 A
-ATOM 405 OE1 . GLU A 1 50 . -4.90986 8.83487 12.3997 1 0 0 50 A
-ATOM 406 OE2 . GLU A 1 50 . -3.37144 9.70701 11.0484 1 0 0 50 A
-ATOM 407 N . VAL A 1 51 . -6.3191 6.35547 7.24513 1 0 0 51 A
-ATOM 408 CA . VAL A 1 51 . -5.62209 5.38636 6.41012 1 0 0 51 A
-ATOM 409 C . VAL A 1 51 . -4.44254 6.01257 5.68054 1 0 0 51 A
-ATOM 410 O . VAL A 1 51 . -4.58902 7.01925 4.98605 1 0 0 51 A
-ATOM 411 CB . VAL A 1 51 . -6.63366 4.73504 5.40146 1 0 0 51 A
-ATOM 412 CG1 . VAL A 1 51 . -5.96922 3.83827 4.34036 1 0 0 51 A
-ATOM 413 CG2 . VAL A 1 51 . -7.72716 3.92179 6.11872 1 0 0 51 A
-ATOM 414 N . LYS A 1 52 . -3.27381 5.40495 5.84818 1 0 0 52 A
-ATOM 415 CA . LYS A 1 52 . -2.06376 5.86435 5.18474 1 0 0 52 A
-ATOM 416 C . LYS A 1 52 . -1.40926 4.71623 4.42341 1 0 0 52 A
-ATOM 417 O . LYS A 1 52 . -1.16138 3.64687 4.98234 1 0 0 52 A
-ATOM 418 CB . LYS A 1 52 . -1.08671 6.48108 6.23289 1 0 0 52 A
-ATOM 419 CG . LYS A 1 52 . 0.18798 7.12811 5.66007 1 0 0 52 A
-ATOM 420 CD . LYS A 1 52 . 1.05391 7.8183 6.73031 1 0 0 52 A
-ATOM 421 CE . LYS A 1 52 . 2.26511 8.53199 6.12654 1 0 0 52 A
-ATOM 422 NZ . LYS A 1 52 . 3.01404 9.2336 7.16502 1 0 0 52 A
-ATOM 423 N . VAL A 1 53 . -1.13852 4.94613 3.14243 1 0 0 53 A
-ATOM 424 CA . VAL A 1 53 . -0.421321 3.97887 2.32096 1 0 0 53 A
-ATOM 425 C . VAL A 1 53 . 0.864624 4.60973 1.80349 1 0 0 53 A
-ATOM 426 O . VAL A 1 53 . 0.835936 5.64758 1.1371 1 0 0 53 A
-ATOM 427 CB . VAL A 1 53 . -1.32023 3.4692 1.13897 1 0 0 53 A
-ATOM 428 CG1 . VAL A 1 53 . -0.708811 2.29776 0.3481 1 0 0 53 A
-ATOM 429 CG2 . VAL A 1 53 . -2.72768 3.06189 1.61308 1 0 0 53 A
-ATOM 430 N . THR A 1 54 . 1.99269 3.98556 2.11902 1 0 0 54 A
-ATOM 431 CA . THR A 1 54 . 3.28569 4.49556 1.67902 1 0 0 54 A
-ATOM 432 C . THR A 1 54 . 4.03969 3.35356 0.987023 1 0 0 54 A
-ATOM 433 O . THR A 1 54 . 3.83169 2.17456 1.29602 1 0 0 54 A
-ATOM 434 CB . THR A 1 54 . 4.12056 5.16591 2.82729 1 0 0 54 A
-ATOM 435 OG1 . THR A 1 54 . 4.33709 4.27699 3.9263 1 0 0 54 A
-ATOM 436 CG2 . THR A 1 54 . 3.55421 6.47039 3.39161 1 0 0 54 A
-ATOM 437 N . ILE A 1 55 . 4.92369 3.71656 0.0670233 1 0 0 55 A
-ATOM 438 CA . ILE A 1 55 . 5.66669 2.76256 -0.744976 1 0 0 55 A
-ATOM 439 C . ILE A 1 55 . 7.15369 3.04456 -0.675977 1 0 0 55 A
-ATOM 440 O . ILE A 1 55 . 7.56269 4.20656 -0.827976 1 0 0 55 A
-ATOM 441 CB . ILE A 1 55 . 5.11379 2.75121 -2.21436 1 0 0 55 A
-ATOM 442 CG1 . ILE A 1 55 . 3.58621 2.50338 -2.30147 1 0 0 55 A
-ATOM 443 CG2 . ILE A 1 55 . 5.90909 1.83424 -3.17829 1 0 0 55 A
-ATOM 444 CD1 . ILE A 1 55 . 2.75011 3.78543 -2.47144 1 0 0 55 A
-ATOM 445 N . TYR A 1 56 . 7.96269 2.00056 -0.479977 1 0 0 56 A
-ATOM 446 CA . TYR A 1 56 . 9.40569 2.10756 -0.540977 1 0 0 56 A
-ATOM 447 C . TYR A 1 56 . 9.97669 1.16456 -1.58498 1 0 0 56 A
-ATOM 448 O . TYR A 1 56 . 9.61869 -0.0144424 -1.63198 1 0 0 56 A
-ATOM 449 CB . TYR A 1 56 . 9.99424 1.84569 0.879807 1 0 0 56 A
-ATOM 450 CG . TYR A 1 56 . 9.47461 2.8101 1.91903 1 0 0 56 A
-ATOM 451 CD1 . TYR A 1 56 . 10.1025 4.05729 2.11506 1 0 0 56 A
-ATOM 452 CD2 . TYR A 1 56 . 8.40129 2.44677 2.75811 1 0 0 56 A
-ATOM 453 CE1 . TYR A 1 56 . 9.67887 4.91016 3.14131 1 0 0 56 A
-ATOM 454 CE2 . TYR A 1 56 . 7.98126 3.29928 3.78612 1 0 0 56 A
-ATOM 455 CZ . TYR A 1 56 . 8.6235 4.53016 3.97903 1 0 0 56 A
-ATOM 456 OH . TYR A 1 56 . 8.22536 5.38213 5.02961 1 0 0 56 A
-ATOM 457 N . ARG A 1 57 . 10.8907 1.68156 -2.40198 1 0 0 57 A
-ATOM 458 CA . ARG A 1 57 . 11.7757 0.815557 -3.17798 1 0 0 57 A
-ATOM 459 C . ARG A 1 57 . 12.7707 0.192558 -2.18698 1 0 0 57 A
-ATOM 460 O . ARG A 1 57 . 13.1797 0.864558 -1.22998 1 0 0 57 A
-ATOM 461 CB . ARG A 1 57 . 12.4927 1.58082 -4.33291 1 0 0 57 A
-ATOM 462 CG . ARG A 1 57 . 12.976 0.713894 -5.52341 1 0 0 57 A
-ATOM 463 CD . ARG A 1 57 . 13.5703 1.52585 -6.68926 1 0 0 57 A
-ATOM 464 NE . ARG A 1 57 . 13.7875 0.571204 -7.82568 1 0 0 57 A
-ATOM 465 CZ . ARG A 1 57 . 14.276 0.949554 -9.01475 1 0 0 57 A
-ATOM 466 NH1 . ARG A 1 57 . 14.5796 2.23297 -9.1867 1 0 0 57 A
-ATOM 467 NH2 . ARG A 1 57 . 14.4862 0.0829337 -10.0015 1 0 0 57 A
-ATOM 468 N . GLU A 1 58 . 13.1197 -1.08444 -2.41098 1 0 0 58 A
-ATOM 469 CA . GLU A 1 58 . 14.0247 -1.86744 -1.54198 1 0 0 58 A
-ATOM 470 C . GLU A 1 58 . 15.2647 -1.10144 -1.09498 1 0 0 58 A
-ATOM 471 O . GLU A 1 58 . 15.7787 -1.25044 0.0130234 1 0 0 58 A
-ATOM 472 CB . GLU A 1 58 . 14.3961 -3.16376 -2.30627 1 0 0 58 A
-ATOM 473 CG . GLU A 1 58 . 15.2286 -4.20871 -1.50088 1 0 0 58 A
-ATOM 474 CD . GLU A 1 58 . 15.7357 -5.41147 -2.29904 1 0 0 58 A
-ATOM 475 OE1 . GLU A 1 58 . 15.7016 -5.27223 -3.55086 1 0 0 58 A
-ATOM 476 OE2 . GLU A 1 58 . 16.127 -6.43855 -1.70366 1 0 0 58 A
-ATOM 477 N . ASP A 1 59 . 15.7737 -0.301442 -2.01798 1 0 0 59 A
-ATOM 478 CA . ASP A 1 59 . 17.0477 0.403558 -1.83498 1 0 0 59 A
-ATOM 479 C . ASP A 1 59 . 16.9587 1.68756 -1.01398 1 0 0 59 A
-ATOM 480 O . ASP A 1 59 . 18.0027 2.29156 -0.725976 1 0 0 59 A
-ATOM 481 CB . ASP A 1 59 . 17.6306 0.602997 -3.26819 1 0 0 59 A
-ATOM 482 CG . ASP A 1 59 . 16.7135 1.42063 -4.16315 1 0 0 59 A
-ATOM 483 OD1 . ASP A 1 59 . 15.7696 2.05502 -3.62074 1 0 0 59 A
-ATOM 484 OD2 . ASP A 1 59 . 16.8263 1.27408 -5.3994 1 0 0 59 A
-ATOM 485 N . ASP A 1 60 . 15.7477 2.14656 -0.696977 1 0 0 60 A
-ATOM 486 CA . ASP A 1 60 . 15.5807 3.30556 0.160024 1 0 0 60 A
-ATOM 487 C . ASP A 1 60 . 14.3557 3.13156 1.03602 1 0 0 60 A
-ATOM 488 O . ASP A 1 60 . 13.2187 3.41356 0.638023 1 0 0 60 A
-ATOM 489 CB . ASP A 1 60 . 15.5486 4.58404 -0.733309 1 0 0 60 A
-ATOM 490 CG . ASP A 1 60 . 15.6499 5.8658 0.0773811 1 0 0 60 A
-ATOM 491 OD1 . ASP A 1 60 . 15.5354 5.78417 1.3295 1 0 0 60 A
-ATOM 492 OD2 . ASP A 1 60 . 15.6541 6.94904 -0.546375 1 0 0 60 A
-ATOM 493 N . LEU A 1 61 . 14.6157 2.59456 2.22602 1 0 0 61 A
-ATOM 494 CA . LEU A 1 61 . 13.5877 2.29256 3.22802 1 0 0 61 A
-ATOM 495 C . LEU A 1 61 . 13.2057 3.47856 4.09202 1 0 0 61 A
-ATOM 496 O . LEU A 1 61 . 12.4367 3.33156 5.04602 1 0 0 61 A
-ATOM 497 CB . LEU A 1 61 . 14.1154 1.10296 4.07 1 0 0 61 A
-ATOM 498 CG . LEU A 1 61 . 14.3355 -0.246891 3.34067 1 0 0 61 A
-ATOM 499 CD1 . LEU A 1 61 . 14.8703 -1.30779 4.32052 1 0 0 61 A
-ATOM 500 CD2 . LEU A 1 61 . 13.039 -0.803644 2.72361 1 0 0 61 A
-ATOM 501 N . GLU A 1 62 . 13.7267 4.67556 3.74102 1 0 0 62 A
-ATOM 502 CA . GLU A 1 62 . 13.4297 5.96156 4.43202 1 0 0 62 A
-ATOM 503 C . GLU A 1 62 . 12.6407 6.92656 3.55602 1 0 0 62 A
-ATOM 504 O . GLU A 1 62 . 11.5797 7.42056 3.94502 1 0 0 62 A
-ATOM 505 CB . GLU A 1 62 . 14.7718 6.57924 4.90085 1 0 0 62 A
-ATOM 506 CG . GLU A 1 62 . 15.5624 5.75301 5.96189 1 0 0 62 A
-ATOM 507 CD . GLU A 1 62 . 16.9747 6.25172 6.27443 1 0 0 62 A
-ATOM 508 OE1 . GLU A 1 62 . 17.3383 7.26523 5.62007 1 0 0 62 A
-ATOM 509 OE2 . GLU A 1 62 . 17.6802 5.65034 7.11292 1 0 0 62 A
-ATOM 510 N . THR A 1 63 . 13.1557 7.24356 2.38302 1 0 0 63 A
-ATOM 511 CA . THR A 1 63 . 12.4057 8.13056 1.50102 1 0 0 63 A
-ATOM 512 C . THR A 1 63 . 11.3467 7.33956 0.781024 1 0 0 63 A
-ATOM 513 O . THR A 1 63 . 11.6087 6.22656 0.344024 1 0 0 63 A
-ATOM 514 CB . THR A 1 63 . 13.3277 8.94146 0.522679 1 0 0 63 A
-ATOM 515 OG1 . THR A 1 63 . 13.941 8.1029 -0.45998 1 0 0 63 A
-ATOM 516 CG2 . THR A 1 63 . 14.4336 9.77041 1.1791 1 0 0 63 A
-ATOM 517 N . PRO A 1 64 . 10.1587 7.91356 0.653024 1 0 0 64 A
-ATOM 518 CA . PRO A 1 64 . 9.08669 7.21056 -0.0259762 1 0 0 64 A
-ATOM 519 C . PRO A 1 64 . 9.28269 7.26356 -1.52198 1 0 0 64 A
-ATOM 520 O . PRO A 1 64 . 9.57269 8.30956 -2.07598 1 0 0 64 A
-ATOM 521 CB . PRO A 1 64 . 7.83571 7.99383 0.413515 1 0 0 64 A
-ATOM 522 CG . PRO A 1 64 . 8.35499 9.40077 0.716468 1 0 0 64 A
-ATOM 523 CD . PRO A 1 64 . 9.73067 9.14041 1.3334 1 0 0 64 A
-ATOM 524 N . VAL A 1 65 . 9.09369 6.13356 -2.17598 1 0 0 65 A
-ATOM 525 CA . VAL A 1 65 . 9.01269 6.10956 -3.62498 1 0 0 65 A
-ATOM 526 C . VAL A 1 65 . 7.70369 6.75656 -4.09398 1 0 0 65 A
-ATOM 527 O . VAL A 1 65 . 7.67169 7.37256 -5.14998 1 0 0 65 A
-ATOM 528 CB . VAL A 1 65 . 9.14323 4.63896 -4.15901 1 0 0 65 A
-ATOM 529 CG1 . VAL A 1 65 . 8.74486 4.47247 -5.63724 1 0 0 65 A
-ATOM 530 CG2 . VAL A 1 65 . 10.5627 4.07406 -3.9649 1 0 0 65 A
-ATOM 531 N . ALA A 1 66 . 6.64469 6.58756 -3.30098 1 0 0 66 A
-ATOM 532 CA . ALA A 1 66 . 5.33569 7.18556 -3.55798 1 0 0 66 A
-ATOM 533 C . ALA A 1 66 . 4.53969 7.09556 -2.26198 1 0 0 66 A
-ATOM 534 O . ALA A 1 66 . 4.90069 6.32456 -1.35598 1 0 0 66 A
-ATOM 535 CB . ALA A 1 66 . 4.58478 6.49184 -4.72305 1 0 0 66 A
-ATOM 536 N . GLU A 1 67 . 3.45069 7.84456 -2.18698 1 0 0 67 A
-ATOM 537 CA . GLU A 1 67 . 2.53969 7.73256 -1.05498 1 0 0 67 A
-ATOM 538 C . GLU A 1 67 . 1.13969 8.02356 -1.53198 1 0 0 67 A
-ATOM 539 O . GLU A 1 67 . 0.925686 8.70056 -2.54998 1 0 0 67 A
-ATOM 540 CB . GLU A 1 67 . 2.9709 8.69669 0.0794823 1 0 0 67 A
-ATOM 541 CG . GLU A 1 67 . 2.98947 10.2119 -0.291302 1 0 0 67 A
-ATOM 542 CD . GLU A 1 67 . 3.60487 11.1441 0.75426 1 0 0 67 A
-ATOM 543 OE1 . GLU A 1 67 . 4.13159 10.5635 1.74075 1 0 0 67 A
-ATOM 544 OE2 . GLU A 1 67 . 3.54598 12.3832 0.60092 1 0 0 67 A
-ATOM 545 N . ALA A 1 68 . 0.180412 7.50733 -0.778042 1 0 0 68 A
-ATOM 546 CA . ALA A 1 68 . -1.22025 7.8213 -1.0025 1 0 0 68 A
-ATOM 547 C . ALA A 1 68 . -1.90944 7.92668 0.348543 1 0 0 68 A
-ATOM 548 O . ALA A 1 68 . -1.79254 7.02786 1.18393 1 0 0 68 A
-ATOM 549 CB . ALA A 1 68 . -1.91162 6.76374 -1.90032 1 0 0 68 A
-ATOM 550 N . LYS A 1 69 . -2.61805 9.03243 0.567492 1 0 0 69 A
-ATOM 551 CA . LYS A 1 69 . -3.32437 9.24752 1.82443 1 0 0 69 A
-ATOM 552 C . LYS A 1 69 . -4.2514 10.4515 1.73819 1 0 0 69 A
-ATOM 553 O . LYS A 1 69 . -3.79694 11.597 1.72331 1 0 0 69 A
-ATOM 554 CB . LYS A 1 69 . -2.28667 9.41086 2.97773 1 0 0 69 A
-ATOM 555 CG . LYS A 1 69 . -2.87381 9.50099 4.39856 1 0 0 69 A
-ATOM 556 CD . LYS A 1 69 . -1.81849 9.81857 5.47421 1 0 0 69 A
-ATOM 557 CE . LYS A 1 69 . -2.44317 10.0457 6.85229 1 0 0 69 A
-ATOM 558 NZ . LYS A 1 69 . -1.41462 10.3962 7.82737 1 0 0 69 A
-ATOM 559 N . SER A 1 70 . -5.55383 10.187 1.68085 1 0 0 70 A
-ATOM 560 CA . SER A 1 70 . -6.54701 11.2446 1.6491 1 0 0 70 A
-ATOM 561 C . SER A 1 70 . -7.12241 11.5245 3.02356 1 0 0 70 A
-ATOM 562 O . SER A 1 70 . -6.92426 10.7479 3.96197 1 0 0 70 A
-ATOM 563 CB . SER A 1 70 . -7.6707 10.9193 0.617052 1 0 0 70 A
-ATOM 564 OG . SER A 1 70 . -7.1503 10.622 -0.68127 1 0 0 70 A
-ATOM 565 N . LYS A 1 71 . -7.83861 12.6386 3.14509 1 0 0 71 A
-ATOM 566 CA . LYS A 1 71 . -8.45547 13.0279 4.40817 1 0 0 71 A
-ATOM 567 C . LYS A 1 71 . -9.53863 12.0419 4.83593 1 0 0 71 A
-ATOM 568 O . LYS A 1 71 . -9.73836 11.8024 6.02619 1 0 0 71 A
-ATOM 569 CB . LYS A 1 71 . -9.02496 14.4739 4.27239 1 0 0 71 A
-ATOM 570 CG . LYS A 1 71 . -7.97944 15.5918 4.10284 1 0 0 71 A
-ATOM 571 CD . LYS A 1 71 . -8.5852 17.0063 4.16551 1 0 0 71 A
-ATOM 572 CE . LYS A 1 71 . -7.51369 18.0984 4.15783 1 0 0 71 A
-ATOM 573 NZ . LYS A 1 71 . -8.11353 19.4037 4.4184 1 0 0 71 A
-ATOM 574 N . ASP A 1 72 . -10.2349 11.4725 3.85301 1 0 0 72 A
-ATOM 575 CA . ASP A 1 72 . -11.3677 10.5929 4.12461 1 0 0 72 A
-ATOM 576 C . ASP A 1 72 . -10.9699 9.12325 4.23887 1 0 0 72 A
-ATOM 577 O . ASP A 1 72 . -11.7872 8.27818 4.61351 1 0 0 72 A
-ATOM 578 CB . ASP A 1 72 . -12.4358 10.8801 3.02443 1 0 0 72 A
-ATOM 579 CG . ASP A 1 72 . -11.956 10.5036 1.63213 1 0 0 72 A
-ATOM 580 OD1 . ASP A 1 72 . -10.7575 10.1385 1.49828 1 0 0 72 A
-ATOM 581 OD2 . ASP A 1 72 . -12.7136 10.7523 0.669483 1 0 0 72 A
-ATOM 582 N . GLY A 1 73 . -9.71675 8.81692 3.91909 1 0 0 73 A
-ATOM 583 CA . GLY A 1 73 . -9.22589 7.45189 3.99393 1 0 0 73 A
-ATOM 584 C . GLY A 1 73 . -8.96384 6.83448 2.63476 1 0 0 73 A
-ATOM 585 O . GLY A 1 73 . -8.44189 5.72055 2.53957 1 0 0 73 A
-ATOM 586 N . ASN A 1 74 . -9.32924 7.5529 1.57767 1 0 0 74 A
-ATOM 587 CA . ASN A 1 74 . -9.05526 7.1069 0.217014 1 0 0 74 A
-ATOM 588 C . ASN A 1 74 . -7.69997 7.62992 -0.238208 1 0 0 74 A
-ATOM 589 O . ASN A 1 74 . -7.34119 8.77369 0.0431476 1 0 0 74 A
-ATOM 590 CB . ASN A 1 74 . -10.2289 7.57479 -0.697938 1 0 0 74 A
-ATOM 591 CG . ASN A 1 74 . -11.5853 6.96069 -0.345598 1 0 0 74 A
-ATOM 592 OD1 . ASN A 1 74 . -11.6941 5.85705 0.186401 1 0 0 74 A
-ATOM 593 ND2 . ASN A 1 74 . -12.6721 7.69392 -0.667664 1 0 0 74 A
-ATOM 594 N . ALA A 1 75 . -6.9494 6.78547 -0.940919 1 0 0 75 A
-ATOM 595 CA . ALA A 1 75 . -5.62657 7.15551 -1.41406 1 0 0 75 A
-ATOM 596 C . ALA A 1 75 . -5.33301 6.62397 -2.80343 1 0 0 75 A
-ATOM 597 O . ALA A 1 75 . -5.67857 5.4863 -3.12901 1 0 0 75 A
-ATOM 598 CB . ALA A 1 75 . -4.56099 6.6747 -0.396281 1 0 0 75 A
-ATOM 599 N . LYS A 1 76 . -4.68983 7.45042 -3.6234 1 0 0 76 A
-ATOM 600 CA . LYS A 1 76 . -4.29156 7.03729 -4.96497 1 0 0 76 A
-ATOM 601 C . LYS A 1 76 . -3.05317 7.79807 -5.41967 1 0 0 76 A
-ATOM 602 O . LYS A 1 76 . -2.93481 9.00323 -5.17883 1 0 0 76 A
-ATOM 603 CB . LYS A 1 76 . -5.48165 7.24755 -5.95143 1 0 0 76 A
-ATOM 604 CG . LYS A 1 76 . -5.15337 7.06464 -7.44487 1 0 0 76 A
-ATOM 605 CD . LYS A 1 76 . -6.40207 7.05793 -8.34615 1 0 0 76 A
-ATOM 606 CE . LYS A 1 76 . -6.04604 6.98012 -9.83211 1 0 0 76 A
-ATOM 607 NZ . LYS A 1 76 . -7.25133 6.80477 -10.6372 1 0 0 76 A
-ATOM 608 N . VAL A 1 77 . -2.13931 7.08856 -6.07298 1 0 0 77 A
-ATOM 609 CA . VAL A 1 77 . -0.967314 7.70556 -6.69898 1 0 0 77 A
-ATOM 610 C . VAL A 1 77 . -0.760314 7.05656 -8.06398 1 0 0 77 A
-ATOM 611 O . VAL A 1 77 . -1.07031 5.88056 -8.25398 1 0 0 77 A
-ATOM 612 CB . VAL A 1 77 . 0.312305 7.56111 -5.80086 1 0 0 77 A
-ATOM 613 CG1 . VAL A 1 77 . 0.808208 6.11129 -5.64692 1 0 0 77 A
-ATOM 614 CG2 . VAL A 1 77 . 1.47891 8.42941 -6.3075 1 0 0 77 A
-ATOM 615 N . THR A 1 78 . -0.0673143 7.76156 -8.95398 1 0 0 78 A
-ATOM 616 CA . THR A 1 78 . 0.328686 7.21056 -10.262 1 0 0 78 A
-ATOM 617 C . THR A 1 78 . 1.67269 7.85856 -10.586 1 0 0 78 A
-ATOM 618 O . THR A 1 78 . 1.77169 9.09456 -10.676 1 0 0 78 A
-ATOM 619 CB . THR A 1 78 . -0.725842 7.39344 -11.4106 1 0 0 78 A
-ATOM 620 OG1 . THR A 1 78 . -1.88877 6.58612 -11.2088 1 0 0 78 A
-ATOM 621 CG2 . THR A 1 78 . -0.220253 7.13018 -12.8305 1 0 0 78 A
-ATOM 622 N . VAL A 1 79 . 2.70969 7.03656 -10.742 1 0 0 79 A
-ATOM 623 CA . VAL A 1 79 . 4.05769 7.55256 -10.749 1 0 0 79 A
-ATOM 624 C . VAL A 1 79 . 4.92369 6.57156 -11.48 1 0 0 79 A
-ATOM 625 O . VAL A 1 79 . 4.62869 5.38456 -11.545 1 0 0 79 A
-ATOM 626 CB . VAL A 1 79 . 4.59084 7.80809 -9.29455 1 0 0 79 A
-ATOM 627 CG1 . VAL A 1 79 . 4.75477 6.52792 -8.45438 1 0 0 79 A
-ATOM 628 CG2 . VAL A 1 79 . 5.92713 8.57354 -9.29158 1 0 0 79 A
-ATOM 629 N . LYS A 1 80 . 6.02269 7.06956 -12.002 1 0 0 80 A
-ATOM 630 CA . LYS A 1 80 . 6.96469 6.22856 -12.726 1 0 0 80 A
-ATOM 631 C . LYS A 1 80 . 7.83369 5.47956 -11.724 1 0 0 80 A
-ATOM 632 O . LYS A 1 80 . 8.53969 6.08356 -10.925 1 0 0 80 A
-ATOM 633 CB . LYS A 1 80 . 7.83053 7.08818 -13.6981 1 0 0 80 A
-ATOM 634 CG . LYS A 1 80 . 8.78528 6.30275 -14.6163 1 0 0 80 A
-ATOM 635 CD . LYS A 1 80 . 9.58273 7.20311 -15.5781 1 0 0 80 A
-ATOM 636 CE . LYS A 1 80 . 8.68364 7.90278 -16.5993 1 0 0 80 A
-ATOM 637 NZ . LYS A 1 80 . 9.48628 8.68753 -17.5329 1 0 0 80 A
-ATOM 638 N . LEU A 1 81 . 7.72869 4.15656 -11.755 1 0 0 81 A
-ATOM 639 CA . LEU A 1 81 . 8.45769 3.26256 -10.857 1 0 0 81 A
-ATOM 640 C . LEU A 1 81 . 9.67469 2.68156 -11.543 1 0 0 81 A
-ATOM 641 O . LEU A 1 81 . 9.56069 2.03256 -12.586 1 0 0 81 A
-ATOM 642 CB . LEU A 1 81 . 7.48541 2.16154 -10.3621 1 0 0 81 A
-ATOM 643 CG . LEU A 1 81 . 6.31165 2.60162 -9.45041 1 0 0 81 A
-ATOM 644 CD1 . LEU A 1 81 . 5.57916 1.37132 -8.88349 1 0 0 81 A
-ATOM 645 CD2 . LEU A 1 81 . 6.77911 3.44991 -8.25312 1 0 0 81 A
-ATOM 646 N . PRO A 1 82 . 10.8417 2.92556 -10.96 1 0 0 82 A
-ATOM 647 CA . PRO A 1 82 . 12.0717 2.33556 -11.469 1 0 0 82 A
-ATOM 648 C . PRO A 1 82 . 12.0917 0.833558 -11.148 1 0 0 82 A
-ATOM 649 O . PRO A 1 82 . 11.3647 0.354558 -10.273 1 0 0 82 A
-ATOM 650 CB . PRO A 1 82 . 13.1703 3.09697 -10.7042 1 0 0 82 A
-ATOM 651 CG . PRO A 1 82 . 12.4902 3.54705 -9.40966 1 0 0 82 A
-ATOM 652 CD . PRO A 1 82 . 11.0523 3.82918 -9.84993 1 0 0 82 A
-ATOM 653 N . ALA A 1 83 . 12.9277 0.0725574 -11.87 1 0 0 83 A
-ATOM 654 CA . ALA A 1 83 . 12.9877 -1.35644 -11.618 1 0 0 83 A
-ATOM 655 C . ALA A 1 83 . 13.3907 -1.74544 -10.198 1 0 0 83 A
-ATOM 656 O . ALA A 1 83 . 14.1257 -1.00944 -9.52598 1 0 0 83 A
-ATOM 657 CB . ALA A 1 83 . 13.9419 -1.99047 -12.662 1 0 0 83 A
-ATOM 658 N . GLY A 1 84 . 12.9057 -2.90844 -9.76798 1 0 0 84 A
-ATOM 659 CA . GLY A 1 84 . 13.3227 -3.51444 -8.52098 1 0 0 84 A
-ATOM 660 C . GLY A 1 84 . 12.1677 -3.93244 -7.64498 1 0 0 84 A
-ATOM 661 O . GLY A 1 84 . 11.0017 -3.91644 -8.05698 1 0 0 84 A
-ATOM 662 N . LYS A 1 85 . 12.5177 -4.28244 -6.41298 1 0 0 85 A
-ATOM 663 CA . LYS A 1 85 . 11.5747 -4.77244 -5.41798 1 0 0 85 A
-ATOM 664 C . LYS A 1 85 . 11.0287 -3.63544 -4.54998 1 0 0 85 A
-ATOM 665 O . LYS A 1 85 . 11.7977 -2.79344 -4.05898 1 0 0 85 A
-ATOM 666 CB . LYS A 1 85 . 12.2702 -5.86626 -4.54996 1 0 0 85 A
-ATOM 667 CG . LYS A 1 85 . 11.3704 -6.57716 -3.52202 1 0 0 85 A
-ATOM 668 CD . LYS A 1 85 . 12.0404 -7.80096 -2.87009 1 0 0 85 A
-ATOM 669 CE . LYS A 1 85 . 11.1731 -8.42352 -1.77418 1 0 0 85 A
-ATOM 670 NZ . LYS A 1 85 . 11.8144 -9.61812 -1.23271 1 0 0 85 A
-ATOM 671 N . TYR A 1 86 . 9.70969 -3.65144 -4.34098 1 0 0 86 A
-ATOM 672 CA . TYR A 1 86 . 9.01269 -2.63844 -3.57198 1 0 0 86 A
-ATOM 673 C . TYR A 1 86 . 8.28869 -3.24744 -2.37798 1 0 0 86 A
-ATOM 674 O . TYR A 1 86 . 7.82969 -4.39844 -2.42698 1 0 0 86 A
-ATOM 675 CB . TYR A 1 86 . 8.04519 -1.8662 -4.52128 1 0 0 86 A
-ATOM 676 CG . TYR A 1 86 . 8.76293 -0.903503 -5.4368 1 0 0 86 A
-ATOM 677 CD1 . TYR A 1 86 . 9.42384 -1.37171 -6.59096 1 0 0 86 A
-ATOM 678 CD2 . TYR A 1 86 . 8.84531 0.465902 -5.11116 1 0 0 86 A
-ATOM 679 CE1 . TYR A 1 86 . 10.1674 -0.492525 -7.38733 1 0 0 86 A
-ATOM 680 CE2 . TYR A 1 86 . 9.59216 1.34305 -5.90666 1 0 0 86 A
-ATOM 681 CZ . TYR A 1 86 . 10.256 0.86169 -7.04347 1 0 0 86 A
-ATOM 682 OH . TYR A 1 86 . 11.0333 1.73269 -7.83419 1 0 0 86 A
-ATOM 683 N . ILE A 1 87 . 8.17069 -2.43744 -1.32698 1 0 0 87 A
-ATOM 684 CA . ILE A 1 87 . 7.38169 -2.75444 -0.147976 1 0 0 87 A
-ATOM 685 C . ILE A 1 87 . 6.31169 -1.67544 -0.0219765 1 0 0 87 A
-ATOM 686 O . ILE A 1 87 . 6.61569 -0.480442 -0.0219765 1 0 0 87 A
-ATOM 687 CB . ILE A 1 87 . 8.26485 -2.89375 1.14257 1 0 0 87 A
-ATOM 688 CG1 . ILE A 1 87 . 9.36504 -3.97957 1.02828 1 0 0 87 A
-ATOM 689 CG2 . ILE A 1 87 . 7.44718 -3.02788 2.4525 1 0 0 87 A
-ATOM 690 CD1 . ILE A 1 87 . 8.82093 -5.41334 0.887334 1 0 0 87 A
-ATOM 691 N . VAL A 1 88 . 5.06169 -2.12444 0.0360241 1 0 0 88 A
-ATOM 692 CA . VAL A 1 88 . 3.87969 -1.27244 0.147023 1 0 0 88 A
-ATOM 693 C . VAL A 1 88 . 3.24869 -1.50944 1.51702 1 0 0 88 A
-ATOM 694 O . VAL A 1 88 . 2.90769 -2.64644 1.86802 1 0 0 88 A
-ATOM 695 CB . VAL A 1 88 . 2.85353 -1.5527 -1.00769 1 0 0 88 A
-ATOM 696 CG1 . VAL A 1 88 . 1.55015 -0.739922 -0.897328 1 0 0 88 A
-ATOM 697 CG2 . VAL A 1 88 . 3.46626 -1.31407 -2.40025 1 0 0 88 A
-ATOM 698 N . LYS A 1 89 . 3.09774 -0.440825 2.29263 1 0 0 89 A
-ATOM 699 CA . LYS A 1 89 . 2.55308 -0.545814 3.64036 1 0 0 89 A
-ATOM 700 C . LYS A 1 89 . 1.24684 0.225736 3.77392 1 0 0 89 A
-ATOM 701 O . LYS A 1 89 . 1.16574 1.39816 3.40409 1 0 0 89 A
-ATOM 702 CB . LYS A 1 89 . 3.61684 -0.0437889 4.66505 1 0 0 89 A
-ATOM 703 CG . LYS A 1 89 . 4.8562 -0.941533 4.8372 1 0 0 89 A
-ATOM 704 CD . LYS A 1 89 . 5.90639 -0.351781 5.79683 1 0 0 89 A
-ATOM 705 CE . LYS A 1 89 . 5.42194 -0.332418 7.24797 1 0 0 89 A
-ATOM 706 NZ . LYS A 1 89 . 6.51706 0.0199112 8.14695 1 0 0 89 A
-ATOM 707 N . ILE A 1 90 . 0.227931 -0.445911 4.30164 1 0 0 90 A
-ATOM 708 CA . ILE A 1 90 . -1.05928 0.181467 4.5716 1 0 0 90 A
-ATOM 709 C . ILE A 1 90 . -1.34092 0.177387 6.06684 1 0 0 90 A
-ATOM 710 O . ILE A 1 90 . -1.45969 -0.884414 6.68204 1 0 0 90 A
-ATOM 711 CB . ILE A 1 90 . -2.19542 -0.505051 3.73328 1 0 0 90 A
-ATOM 712 CG1 . ILE A 1 90 . -1.8888 -0.580258 2.21577 1 0 0 90 A
-ATOM 713 CG2 . ILE A 1 90 . -3.61194 0.057794 4.01466 1 0 0 90 A
-ATOM 714 CD1 . ILE A 1 90 . -2.89064 -1.43128 1.41348 1 0 0 90 A
-ATOM 715 N . GLU A 1 91 . -1.44593 1.36806 6.64936 1 0 0 91 A
-ATOM 716 CA . GLU A 1 91 . -1.66614 1.50314 8.08519 1 0 0 91 A
-ATOM 717 C . GLU A 1 91 . -3.02785 2.11427 8.39514 1 0 0 91 A
-ATOM 718 O . GLU A 1 91 . -3.41046 3.13304 7.81524 1 0 0 91 A
-ATOM 719 CB . GLU A 1 91 . -0.510353 2.34445 8.68423 1 0 0 91 A
-ATOM 720 CG . GLU A 1 91 . 0.894563 1.66641 8.67565 1 0 0 91 A
-ATOM 721 CD . GLU A 1 91 . 2.05711 2.54103 9.14939 1 0 0 91 A
-ATOM 722 OE1 . GLU A 1 91 . 2.17042 3.64489 8.5525 1 0 0 91 A
-ATOM 723 OE2 . GLU A 1 91 . 2.81903 2.13471 10.0532 1 0 0 91 A
-ATOM 724 N . PHE A 1 92 . -3.75326 1.48394 9.31427 1 0 0 92 A
-ATOM 725 CA . PHE A 1 92 . -5.06085 1.97121 9.73176 1 0 0 92 A
-ATOM 726 C . PHE A 1 92 . -5.05941 2.32712 11.2139 1 0 0 92 A
-ATOM 727 O . PHE A 1 92 . -4.58117 1.5553 12.0489 1 0 0 92 A
-ATOM 728 CB . PHE A 1 92 . -6.1419 0.90414 9.37639 1 0 0 92 A
-ATOM 729 CG . PHE A 1 92 . -5.99699 0.371368 7.97095 1 0 0 92 A
-ATOM 730 CD1 . PHE A 1 92 . -6.65554 1.00591 6.89774 1 0 0 92 A
-ATOM 731 CD2 . PHE A 1 92 . -5.23902 -0.789564 7.7144 1 0 0 92 A
-ATOM 732 CE1 . PHE A 1 92 . -6.57022 0.485803 5.60074 1 0 0 92 A
-ATOM 733 CE2 . PHE A 1 92 . -5.15441 -1.31415 6.41916 1 0 0 92 A
-ATOM 734 CZ . PHE A 1 92 . -5.82325 -0.673717 5.36086 1 0 0 92 A
-ATOM 735 N . LYS A 1 93 . -5.60083 3.49787 11.5346 1 0 0 93 A
-ATOM 736 CA . LYS A 1 93 . -5.71644 3.93686 12.9191 1 0 0 93 A
-ATOM 737 C . LYS A 1 93 . -7.12384 4.45307 13.1898 1 0 0 93 A
-ATOM 738 O . LYS A 1 93 . -7.52419 5.49425 12.6684 1 0 0 93 A
-ATOM 739 CB . LYS A 1 93 . -4.64306 5.02741 13.2227 1 0 0 93 A
-ATOM 740 CG . LYS A 1 93 . -4.51444 5.44731 14.6988 1 0 0 93 A
-ATOM 741 CD . LYS A 1 93 . -3.31357 6.37376 14.9656 1 0 0 93 A
-ATOM 742 CE . LYS A 1 93 . -3.07845 6.605 16.4596 1 0 0 93 A
-ATOM 743 NZ . LYS A 1 93 . -1.90417 7.44739 16.6671 1 0 0 93 A
-ATOM 744 N . GLY A 1 94 . -7.87082 3.7173 14.0066 1 0 0 94 A
-ATOM 745 CA . GLY A 1 94 . -9.23177 4.09403 14.3344 1 0 0 94 A
-ATOM 746 C . GLY A 1 94 . -9.92035 3.0858 15.2305 1 0 0 94 A
-ATOM 747 O . GLY A 1 94 . -9.33684 2.60038 16.2022 1 0 0 94 A
-ATOM 748 N . ASP A 1 95 . -11.168 2.76632 14.8971 1 0 0 95 A
-ATOM 749 CA . ASP A 1 95 . -11.9639 1.8372 15.6901 1 0 0 95 A
-ATOM 750 C . ASP A 1 95 . -11.6691 0.379716 15.3478 1 0 0 95 A
-ATOM 751 O . ASP A 1 95 . -12.3325 -0.529325 15.8505 1 0 0 95 A
-ATOM 752 CB . ASP A 1 95 . -13.4596 2.24324 15.5126 1 0 0 95 A
-ATOM 753 CG . ASP A 1 95 . -13.9527 2.04842 14.088 1 0 0 95 A
-ATOM 754 OD1 . ASP A 1 95 . -13.1127 1.70728 13.213 1 0 0 95 A
-ATOM 755 OD2 . ASP A 1 95 . -15.1176 2.41485 13.8211 1 0 0 95 A
-ATOM 756 N . GLY A 1 96 . -10.676 0.163091 14.4906 1 0 0 96 A
-ATOM 757 CA . GLY A 1 96 . -10.2708 -1.17909 14.1211 1 0 0 96 A
-ATOM 758 C . GLY A 1 96 . -11.147 -1.81591 13.0581 1 0 0 96 A
-ATOM 759 O . GLY A 1 96 . -11.0503 -3.01897 12.8051 1 0 0 96 A
-ATOM 760 N . LYS A 1 97 . -12.0017 -1.01281 12.4376 1 0 0 97 A
-ATOM 761 CA . LYS A 1 97 . -12.8779 -1.50506 11.3811 1 0 0 97 A
-ATOM 762 C . LYS A 1 97 . -12.5436 -0.840458 10.0516 1 0 0 97 A
-ATOM 763 O . LYS A 1 97 . -12.5891 0.384737 9.92874 1 0 0 97 A
-ATOM 764 CB . LYS A 1 97 . -14.3666 -1.26241 11.7791 1 0 0 97 A
-ATOM 765 CG . LYS A 1 97 . -14.8571 -2.01792 13.0282 1 0 0 97 A
-ATOM 766 CD . LYS A 1 97 . -16.3712 -1.87486 13.2706 1 0 0 97 A
-ATOM 767 CE . LYS A 1 97 . -16.8714 -2.79764 14.3838 1 0 0 97 A
-ATOM 768 NZ . LYS A 1 97 . -18.329 -2.76143 14.4602 1 0 0 97 A
-ATOM 769 N . TYR A 1 98 . -12.2065 -1.65743 9.05919 1 0 0 98 A
-ATOM 770 CA . TYR A 1 98 . -11.8048 -1.14551 7.75573 1 0 0 98 A
-ATOM 771 C . TYR A 1 98 . -12.3193 -2.01184 6.61235 1 0 0 98 A
-ATOM 772 O . TYR A 1 98 . -12.3832 -3.23716 6.72403 1 0 0 98 A
-ATOM 773 CB . TYR A 1 98 . -10.2509 -1.00777 7.74247 1 0 0 98 A
-ATOM 774 CG . TYR A 1 98 . -9.67469 -0.711387 9.10636 1 0 0 98 A
-ATOM 775 CD1 . TYR A 1 98 . -9.69418 0.601014 9.62145 1 0 0 98 A
-ATOM 776 CD2 . TYR A 1 98 . -9.0429 -1.72796 9.85169 1 0 0 98 A
-ATOM 777 CE1 . TYR A 1 98 . -9.07634 0.891623 10.8437 1 0 0 98 A
-ATOM 778 CE2 . TYR A 1 98 . -8.42248 -1.43495 11.072 1 0 0 98 A
-ATOM 779 CZ . TYR A 1 98 . -8.43695 -0.123165 11.5657 1 0 0 98 A
-ATOM 780 OH . TYR A 1 98 . -7.79024 0.185983 12.7799 1 0 0 98 A
-ATOM 781 N . LYS A 1 99 . -12.6887 -1.36254 5.51387 1 0 0 99 A
-ATOM 782 CA . LYS A 1 99 . -12.9436 -2.05339 4.26009 1 0 0 99 A
-ATOM 783 C . LYS A 1 99 . -11.9102 -1.58071 3.24904 1 0 0 99 A
-ATOM 784 O . LYS A 1 99 . -11.9727 -0.448966 2.76434 1 0 0 99 A
-ATOM 785 CB . LYS A 1 99 . -14.3955 -1.7874 3.75522 1 0 0 99 A
-ATOM 786 CG . LYS A 1 99 . -14.8365 -2.60313 2.52571 1 0 0 99 A
-ATOM 787 CD . LYS A 1 99 . -16.2892 -2.32251 2.09825 1 0 0 99 A
-ATOM 788 CE . LYS A 1 99 . -16.739 -3.21991 0.943604 1 0 0 99 A
-ATOM 789 NZ . LYS A 1 99 . -18.1104 -2.90323 0.555531 1 0 0 99 A
-ATOM 790 N . LEU A 1 100 . -10.9525 -2.45116 2.94424 1 0 0 100 A
-ATOM 791 CA . LEU A 1 100 . -9.83271 -2.08756 2.08687 1 0 0 100 A
-ATOM 792 C . LEU A 1 100 . -9.97636 -2.64515 0.677534 1 0 0 100 A
-ATOM 793 O . LEU A 1 100 . -10.057 -3.8591 0.481569 1 0 0 100 A
-ATOM 794 CB . LEU A 1 100 . -8.5328 -2.5736 2.77716 1 0 0 100 A
-ATOM 795 CG . LEU A 1 100 . -7.19616 -2.3439 2.02673 1 0 0 100 A
-ATOM 796 CD1 . LEU A 1 100 . -6.88179 -0.839163 1.93435 1 0 0 100 A
-ATOM 797 CD2 . LEU A 1 100 . -6.00218 -3.02049 2.72547 1 0 0 100 A
-ATOM 798 N . GLU A 1 101 . -10.0059 -1.74726 -0.30212 1 0 0 101 A
-ATOM 799 CA . GLU A 1 101 . -9.95275 -2.13191 -1.70325 1 0 0 101 A
-ATOM 800 C . GLU A 1 101 . -8.60504 -1.70341 -2.26198 1 0 0 101 A
-ATOM 801 O . GLU A 1 101 . -8.28582 -0.513197 -2.29065 1 0 0 101 A
-ATOM 802 CB . GLU A 1 101 . -11.1276 -1.49398 -2.4876 1 0 0 101 A
-ATOM 803 CG . GLU A 1 101 . -11.194 -1.84124 -4.00701 1 0 0 101 A
-ATOM 804 CD . GLU A 1 101 . -12.3568 -1.21681 -4.78089 1 0 0 101 A
-ATOM 805 OE1 . GLU A 1 101 . -13.1785 -0.570733 -4.07732 1 0 0 101 A
-ATOM 806 OE2 . GLU A 1 101 . -12.4471 -1.38137 -6.01672 1 0 0 101 A
-ATOM 807 N . PHE A 1 102 . -7.81317 -2.68093 -2.69478 1 0 0 102 A
-ATOM 808 CA . PHE A 1 102 . -6.4486 -2.4262 -3.13201 1 0 0 102 A
-ATOM 809 C . PHE A 1 102 . -6.24183 -2.85801 -4.57416 1 0 0 102 A
-ATOM 810 O . PHE A 1 102 . -6.60079 -3.97285 -4.95688 1 0 0 102 A
-ATOM 811 CB . PHE A 1 102 . -5.46322 -3.13373 -2.15119 1 0 0 102 A
-ATOM 812 CG . PHE A 1 102 . -4.03511 -3.11212 -2.64121 1 0 0 102 A
-ATOM 813 CD1 . PHE A 1 102 . -3.29397 -1.91277 -2.6218 1 0 0 102 A
-ATOM 814 CD2 . PHE A 1 102 . -3.43445 -4.27566 -3.16417 1 0 0 102 A
-ATOM 815 CE1 . PHE A 1 102 . -1.98818 -1.87296 -3.12511 1 0 0 102 A
-ATOM 816 CE2 . PHE A 1 102 . -2.13007 -4.23848 -3.67132 1 0 0 102 A
-ATOM 817 CZ . PHE A 1 102 . -1.40685 -3.03264 -3.65161 1 0 0 102 A
-ATOM 818 N . THR A 1 103 . -5.66031 -1.96244 -5.36698 1 0 0 103 A
-ATOM 819 CA . THR A 1 103 . -5.36631 -2.24044 -6.75498 1 0 0 103 A
-ATOM 820 C . THR A 1 103 . -3.98731 -1.70944 -7.10898 1 0 0 103 A
-ATOM 821 O . THR A 1 103 . -3.58931 -0.598442 -6.70598 1 0 0 103 A
-ATOM 822 CB . THR A 1 103 . -6.48532 -1.71696 -7.72384 1 0 0 103 A
-ATOM 823 OG1 . THR A 1 103 . -6.61567 -0.293645 -7.67831 1 0 0 103 A
-ATOM 824 CG2 . THR A 1 103 . -7.87854 -2.31614 -7.52179 1 0 0 103 A
-ATOM 825 N . LEU A 1 104 . -3.27931 -2.51944 -7.88898 1 0 0 104 A
-ATOM 826 CA . LEU A 1 104 . -2.01731 -2.12844 -8.48398 1 0 0 104 A
-ATOM 827 C . LEU A 1 104 . -2.13631 -2.43544 -9.96398 1 0 0 104 A
-ATOM 828 O . LEU A 1 104 . -2.37131 -3.59444 -10.341 1 0 0 104 A
-ATOM 829 CB . LEU A 1 104 . -0.832265 -2.87981 -7.82549 1 0 0 104 A
-ATOM 830 CG . LEU A 1 104 . 0.571268 -2.69341 -8.45624 1 0 0 104 A
-ATOM 831 CD1 . LEU A 1 104 . 0.930352 -1.19818 -8.53944 1 0 0 104 A
-ATOM 832 CD2 . LEU A 1 104 . 1.68086 -3.38777 -7.64489 1 0 0 104 A
-ATOM 833 N . LYS A 1 105 . -2.04431 -1.40144 -10.796 1 0 0 105 A
-ATOM 834 CA . LYS A 1 105 . -2.06231 -1.59544 -12.243 1 0 0 105 A
-ATOM 835 C . LYS A 1 105 . -0.831314 -0.922442 -12.849 1 0 0 105 A
-ATOM 836 O . LYS A 1 105 . -0.256314 -1.38144 -13.856 1 0 0 105 A
-ATOM 837 CB . LYS A 1 105 . -3.37977 -1.02799 -12.8561 1 0 0 105 A
-ATOM 838 CG . LYS A 1 105 . -4.67563 -1.75026 -12.443 1 0 0 105 A
-ATOM 839 CD . LYS A 1 105 . -4.74328 -3.208 -12.9349 1 0 0 105 A
-ATOM 840 CE . LYS A 1 105 . -6.11237 -3.84325 -12.684 1 0 0 105 A
-ATOM 841 NZ . LYS A 1 105 . -6.1997 -5.1439 -13.3415 1 0 0 105 A
-#

chroma/notebooks/protein.cif

@@ -1,1482 +0,0 @@
-data_GNR8
-#
-_entry.id   system
-#
-loop_
-_entity.id 
-_entity.type 
-_entity.pdbx_description 
-_entity.pdbx_number_of_molecules 
-1 polymer 'chain A' 1
-#
-loop_
-_entity_poly_seq.entity_id 
-_entity_poly_seq.num 
-_entity_poly_seq.mon_id 
-_entity_poly_seq.hetero 
-1 1 SER n
-1 2 LYS n
-1 3 GLN n
-1 4 GLU n
-1 5 GLU n
-1 6 LEU n
-1 7 LEU n
-1 8 LYS n
-1 9 ARG n
-1 10 VAL n
-1 11 GLN n
-1 12 GLU n
-1 13 LEU n
-1 14 ARG n
-1 15 ASP n
-1 16 LYS n
-1 17 ALA n
-1 18 ARG n
-1 19 GLU n
-1 20 GLU n
-1 21 GLY n
-1 22 ASP n
-1 23 SER n
-1 24 LEU n
-1 25 ALA n
-1 26 ALA n
-1 27 THR n
-1 28 ILE n
-1 29 LEU n
-1 30 ASP n
-1 31 PHE n
-1 32 VAL n
-1 33 GLU n
-1 34 ARG n
-1 35 VAL n
-1 36 LEU n
-1 37 ARG n
-1 38 GLY n
-1 39 GLU n
-1 40 ASP n
-1 41 PRO n
-1 42 GLU n
-1 43 GLY n
-1 44 ALA n
-1 45 ALA n
-1 46 ARG n
-1 47 LEU n
-1 48 ARG n
-1 49 GLU n
-1 50 LYS n
-1 51 ILE n
-1 52 ALA n
-1 53 GLU n
-1 54 MET n
-1 55 LYS n
-1 56 GLN n
-1 57 LEU n
-1 58 ALA n
-1 59 ASP n
-1 60 GLU n
-1 61 LEU n
-1 62 ASP n
-1 63 ALA n
-1 64 THR n
-1 65 PRO n
-1 66 LEU n
-1 67 SER n
-1 68 ASP n
-1 69 GLU n
-1 70 GLN n
-1 71 LEU n
-1 72 LYS n
-1 73 GLU n
-1 74 PHE n
-1 75 VAL n
-1 76 GLU n
-1 77 ARG n
-1 78 LEU n
-1 79 VAL n
-1 80 GLU n
-1 81 GLU n
-1 82 ALA n
-1 83 ARG n
-1 84 GLY n
-1 85 ALA n
-1 86 ASP n
-1 87 PRO n
-1 88 ALA n
-1 89 THR n
-1 90 LEU n
-1 91 LEU n
-1 92 ALA n
-1 93 LEU n
-1 94 LEU n
-1 95 TYR n
-1 96 LEU n
-1 97 ALA n
-1 98 SER n
-1 99 HIS n
-1 100 PRO n
-1 101 ASN n
-1 102 GLU n
-1 103 LYS n
-1 104 ILE n
-1 105 ARG n
-1 106 LYS n
-1 107 ALA n
-1 108 LEU n
-1 109 PHE n
-1 110 GLU n
-1 111 ALA n
-1 112 VAL n
-1 113 MET n
-1 114 GLU n
-1 115 LEU n
-1 116 LEU n
-1 117 ARG n
-1 118 GLU n
-1 119 ARG n
-1 120 ASP n
-1 121 PRO n
-1 122 ALA n
-1 123 LEU n
-1 124 ALA n
-1 125 ASP n
-1 126 GLN n
-1 127 LEU n
-1 128 GLU n
-1 129 GLU n
-1 130 LYS n
-1 131 ILE n
-1 132 LYS n
-1 133 GLN n
-1 134 SER n
-1 135 GLY n
-1 136 ASN n
-1 137 GLU n
-1 138 GLU n
-1 139 GLU n
-1 140 TYR n
-1 141 LEU n
-1 142 LYS n
-1 143 ARG n
-1 144 ILE n
-1 145 ALA n
-1 146 ASP n
-1 147 LEU n
-1 148 VAL n
-1 149 ARG n
-1 150 GLU n
-1 151 ALA n
-1 152 VAL n
-1 153 ALA n
-1 154 LEU n
-1 155 LEU n
-1 156 GLU n
-1 157 GLU n
-1 158 LEU n
-1 159 GLU n
-1 160 ASP n
-#
-loop_
-_entity_poly.entity_id 
-_entity_poly.type 
-1 polypeptide(L)
-#
-loop_
-_atom_site.group_PDB 
-_atom_site.id 
-_atom_site.label_atom_id 
-_atom_site.label_alt_id 
-_atom_site.label_comp_id 
-_atom_site.label_asym_id 
-_atom_site.label_entity_id 
-_atom_site.label_seq_id 
-_atom_site.pdbx_PDB_ins_code 
-_atom_site.Cartn_x 
-_atom_site.Cartn_y 
-_atom_site.Cartn_z 
-_atom_site.occupancy 
-_atom_site.B_iso_or_equiv 
-_atom_site.pdbx_PDB_model_num 
-_atom_site.auth_seq_id 
-_atom_site.auth_asym_id 
-ATOM 1 N . SER A 1 1 . -6.03316 -29.8453 -9.06926 1 0 0 1 A
-ATOM 2 CA . SER A 1 1 . -4.82794 -30.0822 -8.27249 1 0 0 1 A
-ATOM 3 C . SER A 1 1 . -3.83455 -28.971 -8.27777 1 0 0 1 A
-ATOM 4 O . SER A 1 1 . -3.30124 -28.5502 -7.21754 1 0 0 1 A
-ATOM 5 CB . SER A 1 1 . -4.17938 -31.4276 -8.7229 1 0 0 1 A
-ATOM 6 OG . SER A 1 1 . -3.07859 -31.808 -7.89314 1 0 0 1 A
-ATOM 7 N . LYS A 1 2 . -3.59171 -28.3953 -9.45723 1 0 0 2 A
-ATOM 8 CA . LYS A 1 2 . -2.69447 -27.2346 -9.53505 1 0 0 2 A
-ATOM 9 C . LYS A 1 2 . -3.19723 -26.0696 -8.65086 1 0 0 2 A
-ATOM 10 O . LYS A 1 2 . -2.43594 -25.47 -7.93072 1 0 0 2 A
-ATOM 11 CB . LYS A 1 2 . -2.5513 -26.7961 -11.0253 1 0 0 2 A
-ATOM 12 CG . LYS A 1 2 . -1.596 -25.6169 -11.2871 1 0 0 2 A
-ATOM 13 CD . LYS A 1 2 . -1.45825 -25.2652 -12.7801 1 0 0 2 A
-ATOM 14 CE . LYS A 1 2 . -0.627714 -24 -13.005 1 0 0 2 A
-ATOM 15 NZ . LYS A 1 2 . 0.73093 -24.1857 -12.5038 1 0 0 2 A
-ATOM 16 N . GLN A 1 3 . -4.50043 -25.8884 -8.69782 1 0 0 3 A
-ATOM 17 CA . GLN A 1 3 . -5.08012 -24.7269 -7.91333 1 0 0 3 A
-ATOM 18 C . GLN A 1 3 . -4.94636 -24.9889 -6.41969 1 0 0 3 A
-ATOM 19 O . GLN A 1 3 . -4.58815 -24.1117 -5.65903 1 0 0 3 A
-ATOM 20 CB . GLN A 1 3 . -6.55792 -24.5072 -8.32606 1 0 0 3 A
-ATOM 21 CG . GLN A 1 3 . -6.79078 -24.1709 -9.8211 1 0 0 3 A
-ATOM 22 CD . GLN A 1 3 . -5.94243 -22.9888 -10.2943 1 0 0 3 A
-ATOM 23 OE1 . GLN A 1 3 . -6.04877 -21.8753 -9.78265 1 0 0 3 A
-ATOM 24 NE2 . GLN A 1 3 . -5.06634 -23.2285 -11.2931 1 0 0 3 A
-ATOM 25 N . GLU A 1 4 . -5.22 -26.2866 -6.01794 1 0 0 4 A
-ATOM 26 CA . GLU A 1 4 . -5.07606 -26.6393 -4.63847 1 0 0 4 A
-ATOM 27 C . GLU A 1 4 . -3.63285 -26.4565 -4.18005 1 0 0 4 A
-ATOM 28 O . GLU A 1 4 . -3.38872 -25.9121 -3.11162 1 0 0 4 A
-ATOM 29 CB . GLU A 1 4 . -5.5625 -28.0967 -4.43378 1 0 0 4 A
-ATOM 30 CG . GLU A 1 4 . -7.1071 -28.3081 -4.48923 1 0 0 4 A
-ATOM 31 CD . GLU A 1 4 . -7.60162 -29.7003 -4.09139 1 0 0 4 A
-ATOM 32 OE1 . GLU A 1 4 . -7.29107 -30.0623 -2.92517 1 0 0 4 A
-ATOM 33 OE2 . GLU A 1 4 . -8.24676 -30.393 -4.90778 1 0 0 4 A
-ATOM 34 N . GLU A 1 5 . -2.69267 -26.9256 -4.98165 1 0 0 5 A
-ATOM 35 CA . GLU A 1 5 . -1.27479 -26.867 -4.65041 1 0 0 5 A
-ATOM 36 C . GLU A 1 5 . -0.860399 -25.3276 -4.52417 1 0 0 5 A
-ATOM 37 O . GLU A 1 5 . -0.154033 -24.99 -3.60334 1 0 0 5 A
-ATOM 38 CB . GLU A 1 5 . -0.431735 -27.6015 -5.72381 1 0 0 5 A
-ATOM 39 CG . GLU A 1 5 . 1.09415 -27.7191 -5.42141 1 0 0 5 A
-ATOM 40 CD . GLU A 1 5 . 1.90465 -26.4316 -5.58377 1 0 0 5 A
-ATOM 41 OE1 . GLU A 1 5 . 1.5667 -25.7094 -6.55931 1 0 0 5 A
-ATOM 42 OE2 . GLU A 1 5 . 2.83468 -26.1725 -4.78981 1 0 0 5 A
-ATOM 43 N . LEU A 1 6 . -1.3105 -24.5009 -5.44902 1 0 0 6 A
-ATOM 44 CA . LEU A 1 6 . -0.968449 -23.132 -5.43007 1 0 0 6 A
-ATOM 45 C . LEU A 1 6 . -1.51872 -22.4716 -4.17363 1 0 0 6 A
-ATOM 46 O . LEU A 1 6 . -0.833937 -21.6545 -3.53519 1 0 0 6 A
-ATOM 47 CB . LEU A 1 6 . -1.50042 -22.4618 -6.72248 1 0 0 6 A
-ATOM 48 CG . LEU A 1 6 . -0.672152 -22.6512 -8.01885 1 0 0 6 A
-ATOM 49 CD1 . LEU A 1 6 . -1.50781 -22.2651 -9.25342 1 0 0 6 A
-ATOM 50 CD2 . LEU A 1 6 . 0.601958 -21.7864 -8.0379 1 0 0 6 A
-ATOM 51 N . LEU A 1 7 . -2.76692 -22.72 -3.83722 1 0 0 7 A
-ATOM 52 CA . LEU A 1 7 . -3.37935 -22.2452 -2.61702 1 0 0 7 A
-ATOM 53 C . LEU A 1 7 . -2.58829 -22.6108 -1.37711 1 0 0 7 A
-ATOM 54 O . LEU A 1 7 . -2.36529 -21.8461 -0.481622 1 0 0 7 A
-ATOM 55 CB . LEU A 1 7 . -4.8235 -22.8066 -2.57452 1 0 0 7 A
-ATOM 56 CG . LEU A 1 7 . -5.63587 -22.5916 -1.27208 1 0 0 7 A
-ATOM 57 CD1 . LEU A 1 7 . -5.84094 -21.0885 -1.00684 1 0 0 7 A
-ATOM 58 CD2 . LEU A 1 7 . -7.03053 -23.242 -1.33119 1 0 0 7 A
-ATOM 59 N . LYS A 1 8 . -2.18528 -23.9161 -1.33768 1 0 0 8 A
-ATOM 60 CA . LYS A 1 8 . -1.42187 -24.4211 -0.205963 1 0 0 8 A
-ATOM 61 C . LYS A 1 8 . -0.0954698 -23.6589 -0.073973 1 0 0 8 A
-ATOM 62 O . LYS A 1 8 . 0.350358 -23.3901 1.03376 1 0 0 8 A
-ATOM 63 CB . LYS A 1 8 . -1.18252 -25.9537 -0.371019 1 0 0 8 A
-ATOM 64 CG . LYS A 1 8 . -0.324928 -26.6187 0.721662 1 0 0 8 A
-ATOM 65 CD . LYS A 1 8 . -0.0936799 -28.1224 0.482877 1 0 0 8 A
-ATOM 66 CE . LYS A 1 8 . 0.763413 -28.7599 1.57828 1 0 0 8 A
-ATOM 67 NZ . LYS A 1 8 . 0.816875 -30.2087 1.40611 1 0 0 8 A
-ATOM 68 N . ARG A 1 9 . 0.547964 -23.3987 -1.20398 1 0 0 9 A
-ATOM 69 CA . ARG A 1 9 . 1.82781 -22.6556 -1.20361 1 0 0 9 A
-ATOM 70 C . ARG A 1 9 . 1.62355 -21.267 -0.66531 1 0 0 9 A
-ATOM 71 O . ARG A 1 9 . 2.41383 -20.7786 0.128136 1 0 0 9 A
-ATOM 72 CB . ARG A 1 9 . 2.45545 -22.6493 -2.63177 1 0 0 9 A
-ATOM 73 CG . ARG A 1 9 . 3.11896 -23.9742 -3.08683 1 0 0 9 A
-ATOM 74 CD . ARG A 1 9 . 3.67981 -23.9339 -4.52051 1 0 0 9 A
-ATOM 75 NE . ARG A 1 9 . 4.6842 -22.821 -4.56987 1 0 0 9 A
-ATOM 76 CZ . ARG A 1 9 . 5.16299 -22.319 -5.71634 1 0 0 9 A
-ATOM 77 NH1 . ARG A 1 9 . 4.72179 -22.8375 -6.85887 1 0 0 9 A
-ATOM 78 NH2 . ARG A 1 9 . 6.03361 -21.3138 -5.73961 1 0 0 9 A
-ATOM 79 N . VAL A 1 10 . 0.552804 -20.6249 -1.11403 1 0 0 10 A
-ATOM 80 CA . VAL A 1 10 . 0.255757 -19.258 -0.655119 1 0 0 10 A
-ATOM 81 C . VAL A 1 10 . -0.0149934 -19.268 0.852619 1 0 0 10 A
-ATOM 82 O . VAL A 1 10 . 0.479456 -18.3525 1.56271 1 0 0 10 A
-ATOM 83 CB . VAL A 1 10 . -0.958439 -18.6548 -1.44679 1 0 0 10 A
-ATOM 84 CG1 . VAL A 1 10 . -2.32105 -19.2569 -1.05642 1 0 0 10 A
-ATOM 85 CG2 . VAL A 1 10 . -1.03905 -17.1231 -1.30853 1 0 0 10 A
-ATOM 86 N . GLN A 1 11 . -0.768802 -20.2336 1.33958 1 0 0 11 A
-ATOM 87 CA . GLN A 1 11 . -1.04923 -20.3368 2.76798 1 0 0 11 A
-ATOM 88 C . GLN A 1 11 . 0.239111 -20.5081 3.57532 1 0 0 11 A
-ATOM 89 O . GLN A 1 11 . 0.438196 -19.872 4.60725 1 0 0 11 A
-ATOM 90 CB . GLN A 1 11 . -2.0326 -21.5117 3.00279 1 0 0 11 A
-ATOM 91 CG . GLN A 1 11 . -3.40411 -21.3869 2.29154 1 0 0 11 A
-ATOM 92 CD . GLN A 1 11 . -4.24799 -22.6566 2.42004 1 0 0 11 A
-ATOM 93 OE1 . GLN A 1 11 . -3.74195 -23.7753 2.34614 1 0 0 11 A
-ATOM 94 NE2 . GLN A 1 11 . -5.57162 -22.4904 2.6271 1 0 0 11 A
-ATOM 95 N . GLU A 1 12 . 1.11754 -21.3847 3.08061 1 0 0 12 A
-ATOM 96 CA . GLU A 1 12 . 2.39569 -21.6066 3.75706 1 0 0 12 A
-ATOM 97 C . GLU A 1 12 . 3.22296 -20.3214 3.80157 1 0 0 12 A
-ATOM 98 O . GLU A 1 12 . 3.82602 -19.9953 4.81543 1 0 0 12 A
-ATOM 99 CB . GLU A 1 12 . 3.15426 -22.7522 3.03961 1 0 0 12 A
-ATOM 100 CG . GLU A 1 12 . 2.49921 -24.1644 3.14088 1 0 0 12 A
-ATOM 101 CD . GLU A 1 12 . 3.23851 -25.2928 2.4191 1 0 0 12 A
-ATOM 102 OE1 . GLU A 1 12 . 3.66195 -25.0013 1.26874 1 0 0 12 A
-ATOM 103 OE2 . GLU A 1 12 . 3.36915 -26.408 2.9684 1 0 0 12 A
-ATOM 104 N . LEU A 1 13 . 3.26547 -19.6024 2.68269 1 0 0 13 A
-ATOM 105 CA . LEU A 1 13 . 4.0379 -18.3801 2.61722 1 0 0 13 A
-ATOM 106 C . LEU A 1 13 . 3.46987 -17.3482 3.58306 1 0 0 13 A
-ATOM 107 O . LEU A 1 13 . 4.21128 -16.6684 4.29269 1 0 0 13 A
-ATOM 108 CB . LEU A 1 13 . 4.04691 -17.8676 1.15444 1 0 0 13 A
-ATOM 109 CG . LEU A 1 13 . 5.08244 -16.7746 0.786412 1 0 0 13 A
-ATOM 110 CD1 . LEU A 1 13 . 6.50923 -17.3535 0.812253 1 0 0 13 A
-ATOM 111 CD2 . LEU A 1 13 . 4.84975 -16.1891 -0.618811 1 0 0 13 A
-ATOM 112 N . ARG A 1 14 . 2.14254 -17.23 3.60848 1 0 0 14 A
-ATOM 113 CA . ARG A 1 14 . 1.49779 -16.2829 4.51863 1 0 0 14 A
-ATOM 114 C . ARG A 1 14 . 1.81227 -16.6692 5.96535 1 0 0 14 A
-ATOM 115 O . ARG A 1 14 . 2.14374 -15.7779 6.79633 1 0 0 14 A
-ATOM 116 CB . ARG A 1 14 . -0.0365834 -16.2072 4.24739 1 0 0 14 A
-ATOM 117 CG . ARG A 1 14 . -0.866221 -15.3876 5.26835 1 0 0 14 A
-ATOM 118 CD . ARG A 1 14 . -2.36998 -15.7196 5.26431 1 0 0 14 A
-ATOM 119 NE . ARG A 1 14 . -2.5042 -17.1609 5.65777 1 0 0 14 A
-ATOM 120 CZ . ARG A 1 14 . -3.64281 -17.8535 5.51835 1 0 0 14 A
-ATOM 121 NH1 . ARG A 1 14 . -4.698 -17.2262 5.00651 1 0 0 14 A
-ATOM 122 NH2 . ARG A 1 14 . -3.73425 -19.1386 5.84872 1 0 0 14 A
-ATOM 123 N . ASP A 1 15 . 1.71623 -17.9635 6.29447 1 0 0 15 A
-ATOM 124 CA . ASP A 1 15 . 1.99648 -18.4096 7.65594 1 0 0 15 A
-ATOM 125 C . ASP A 1 15 . 3.44676 -18.1153 8.04717 1 0 0 15 A
-ATOM 126 O . ASP A 1 15 . 3.72981 -17.6975 9.15665 1 0 0 15 A
-ATOM 127 CB . ASP A 1 15 . 1.6022 -19.9155 7.75814 1 0 0 15 A
-ATOM 128 CG . ASP A 1 15 . 0.121713 -20.1501 7.50613 1 0 0 15 A
-ATOM 129 OD1 . ASP A 1 15 . -0.650693 -19.1557 7.55142 1 0 0 15 A
-ATOM 130 OD2 . ASP A 1 15 . -0.278322 -21.3332 7.45291 1 0 0 15 A
-ATOM 131 N . LYS A 1 16 . 4.36215 -18.3529 7.12 1 0 0 16 A
-ATOM 132 CA . LYS A 1 16 . 5.77586 -18.0731 7.33957 1 0 0 16 A
-ATOM 133 C . LYS A 1 16 . 6.01168 -16.5879 7.5951 1 0 0 16 A
-ATOM 134 O . LYS A 1 16 . 6.75401 -16.2234 8.50204 1 0 0 16 A
-ATOM 135 CB . LYS A 1 16 . 6.59854 -18.5763 6.11338 1 0 0 16 A
-ATOM 136 CG . LYS A 1 16 . 8.08968 -18.1916 6.10444 1 0 0 16 A
-ATOM 137 CD . LYS A 1 16 . 8.80247 -18.5485 4.78682 1 0 0 16 A
-ATOM 138 CE . LYS A 1 16 . 10.2675 -18.1074 4.78041 1 0 0 16 A
-ATOM 139 NZ . LYS A 1 16 . 10.8758 -18.3763 3.4807 1 0 0 16 A
-ATOM 140 N . ALA A 1 17 . 5.38002 -15.7425 6.80347 1 0 0 17 A
-ATOM 141 CA . ALA A 1 17 . 5.51625 -14.3054 6.96079 1 0 0 17 A
-ATOM 142 C . ALA A 1 17 . 4.96962 -13.8572 8.30944 1 0 0 17 A
-ATOM 143 O . ALA A 1 17 . 5.57242 -13.0235 8.99265 1 0 0 17 A
-ATOM 144 CB . ALA A 1 17 . 4.81112 -13.5615 5.79807 1 0 0 17 A
-ATOM 145 N . ARG A 1 18 . 3.82223 -14.4075 8.6959 1 0 0 18 A
-ATOM 146 CA . ARG A 1 18 . 3.2379 -14.0983 10.0004 1 0 0 18 A
-ATOM 147 C . ARG A 1 18 . 4.20514 -14.4689 11.1181 1 0 0 18 A
-ATOM 148 O . ARG A 1 18 . 4.40469 -13.7049 12.0724 1 0 0 18 A
-ATOM 149 CB . ARG A 1 18 . 1.85539 -14.8038 10.1572 1 0 0 18 A
-ATOM 150 CG . ARG A 1 18 . 1.08524 -14.503 11.4682 1 0 0 18 A
-ATOM 151 CD . ARG A 1 18 . -0.362373 -15.0283 11.4792 1 0 0 18 A
-ATOM 152 NE . ARG A 1 18 . -1.13219 -14.22 10.4772 1 0 0 18 A
-ATOM 153 CZ . ARG A 1 18 . -1.50426 -14.6993 9.2824 1 0 0 18 A
-ATOM 154 NH1 . ARG A 1 18 . -1.17139 -15.9507 8.9791 1 0 0 18 A
-ATOM 155 NH2 . ARG A 1 18 . -2.2096 -13.9752 8.41803 1 0 0 18 A
-ATOM 156 N . GLU A 1 19 . 4.80453 -15.6408 10.9998 1 0 0 19 A
-ATOM 157 CA . GLU A 1 19 . 5.72441 -16.1019 12.0581 1 0 0 19 A
-ATOM 158 C . GLU A 1 19 . 6.95129 -15.2217 12.1001 1 0 0 19 A
-ATOM 159 O . GLU A 1 19 . 7.50736 -14.9821 13.1866 1 0 0 19 A
-ATOM 160 CB . GLU A 1 19 . 6.09265 -17.5874 11.8124 1 0 0 19 A
-ATOM 161 CG . GLU A 1 19 . 4.92583 -18.6096 11.9774 1 0 0 19 A
-ATOM 162 CD . GLU A 1 19 . 5.24223 -20.0501 11.5704 1 0 0 19 A
-ATOM 163 OE1 . GLU A 1 19 . 6.45359 -20.2748 11.3063 1 0 0 19 A
-ATOM 164 OE2 . GLU A 1 19 . 4.32606 -20.8978 11.5034 1 0 0 19 A
-ATOM 165 N . GLU A 1 20 . 7.32829 -14.6677 10.956 1 0 0 20 A
-ATOM 166 CA . GLU A 1 20 . 8.4772 -13.7781 10.8695 1 0 0 20 A
-ATOM 167 C . GLU A 1 20 . 8.10959 -12.3461 11.2658 1 0 0 20 A
-ATOM 168 O . GLU A 1 20 . 8.98252 -11.478 11.3335 1 0 0 20 A
-ATOM 169 CB . GLU A 1 20 . 9.05165 -13.8455 9.4315 1 0 0 20 A
-ATOM 170 CG . GLU A 1 20 . 9.60116 -15.2363 8.98731 1 0 0 20 A
-ATOM 171 CD . GLU A 1 20 . 10.0086 -15.3508 7.51702 1 0 0 20 A
-ATOM 172 OE1 . GLU A 1 20 . 9.59941 -14.4167 6.77698 1 0 0 20 A
-ATOM 173 OE2 . GLU A 1 20 . 10.6831 -16.3287 7.12811 1 0 0 20 A
-ATOM 174 N . GLY A 1 21 . 6.82528 -12.1069 11.489 1 0 0 21 A
-ATOM 175 CA . GLY A 1 21 . 6.35787 -10.7873 11.8797 1 0 0 21 A
-ATOM 176 C . GLY A 1 21 . 6.19864 -9.8132 10.7342 1 0 0 21 A
-ATOM 177 O . GLY A 1 21 . 6.13713 -8.59827 10.9255 1 0 0 21 A
-ATOM 178 N . ASP A 1 22 . 6.12381 -10.3446 9.51513 1 0 0 22 A
-ATOM 179 CA . ASP A 1 22 . 5.97408 -9.52095 8.31992 1 0 0 22 A
-ATOM 180 C . ASP A 1 22 . 4.4892 -9.33941 8.027 1 0 0 22 A
-ATOM 181 O . ASP A 1 22 . 3.8845 -10.1286 7.30599 1 0 0 22 A
-ATOM 182 CB . ASP A 1 22 . 6.78041 -10.1634 7.14916 1 0 0 22 A
-ATOM 183 CG . ASP A 1 22 . 7.0754 -9.1758 6.03203 1 0 0 22 A
-ATOM 184 OD1 . ASP A 1 22 . 6.18243 -8.33934 5.73111 1 0 0 22 A
-ATOM 185 OD2 . ASP A 1 22 . 8.10528 -9.36222 5.34858 1 0 0 22 A
-ATOM 186 N . SER A 1 23 . 3.91136 -8.2955 8.59313 1 0 0 23 A
-ATOM 187 CA . SER A 1 23 . 2.48367 -8.03867 8.46274 1 0 0 23 A
-ATOM 188 C . SER A 1 23 . 2.08004 -7.83307 6.98487 1 0 0 23 A
-ATOM 189 O . SER A 1 23 . 1.03259 -8.32334 6.55334 1 0 0 23 A
-ATOM 190 CB . SER A 1 23 . 2.04623 -6.82935 9.3458 1 0 0 23 A
-ATOM 191 OG . SER A 1 23 . 0.629715 -6.63348 9.34056 1 0 0 23 A
-ATOM 192 N . LEU A 1 24 . 2.90133 -7.10466 6.24542 1 0 0 24 A
-ATOM 193 CA . LEU A 1 24 . 2.59487 -6.84457 4.83648 1 0 0 24 A
-ATOM 194 C . LEU A 1 24 . 2.56465 -8.14354 4.03755 1 0 0 24 A
-ATOM 195 O . LEU A 1 24 . 1.66673 -8.36224 3.22756 1 0 0 24 A
-ATOM 196 CB . LEU A 1 24 . 3.63887 -5.84224 4.28159 1 0 0 24 A
-ATOM 197 CG . LEU A 1 24 . 3.35841 -4.3316 4.48611 1 0 0 24 A
-ATOM 198 CD1 . LEU A 1 24 . 2.2119 -3.8674 3.56872 1 0 0 24 A
-ATOM 199 CD2 . LEU A 1 24 . 2.95294 -3.99637 5.93346 1 0 0 24 A
-ATOM 200 N . ALA A 1 25 . 3.55187 -9.00146 4.26915 1 0 0 25 A
-ATOM 201 CA . ALA A 1 25 . 3.60061 -10.2814 3.56392 1 0 0 25 A
-ATOM 202 C . ALA A 1 25 . 2.40189 -11.1537 3.93665 1 0 0 25 A
-ATOM 203 O . ALA A 1 25 . 1.79721 -11.7961 3.0716 1 0 0 25 A
-ATOM 204 CB . ALA A 1 25 . 4.93532 -11.0123 3.85851 1 0 0 25 A
-ATOM 205 N . ALA A 1 26 . 2.04716 -11.1581 5.21621 1 0 0 26 A
-ATOM 206 CA . ALA A 1 26 . 0.904623 -11.9508 5.66256 1 0 0 26 A
-ATOM 207 C . ALA A 1 26 . -0.382459 -11.4643 5.02129 1 0 0 26 A
-ATOM 208 O . ALA A 1 26 . -1.22414 -12.2501 4.59749 1 0 0 26 A
-ATOM 209 CB . ALA A 1 26 . 0.802067 -11.9241 7.20893 1 0 0 26 A
-ATOM 210 N . THR A 1 27 . -0.543912 -10.1465 4.95437 1 0 0 27 A
-ATOM 211 CA . THR A 1 27 . -1.73515 -9.57553 4.32102 1 0 0 27 A
-ATOM 212 C . THR A 1 27 . -1.79886 -9.95655 2.84259 1 0 0 27 A
-ATOM 213 O . THR A 1 27 . -2.83997 -10.3609 2.34252 1 0 0 27 A
-ATOM 214 CB . THR A 1 27 . -1.84059 -8.02643 4.55359 1 0 0 27 A
-ATOM 215 OG1 . THR A 1 27 . -2.09579 -7.70271 5.92289 1 0 0 27 A
-ATOM 216 CG2 . THR A 1 27 . -2.87873 -7.29183 3.70298 1 0 0 27 A
-ATOM 217 N . ILE A 1 28 . -0.667516 -9.84656 2.15033 1 0 0 28 A
-ATOM 218 CA . ILE A 1 28 . -0.62155 -10.1937 0.729923 1 0 0 28 A
-ATOM 219 C . ILE A 1 28 . -0.988902 -11.6623 0.527677 1 0 0 28 A
-ATOM 220 O . ILE A 1 28 . -1.7804 -11.9957 -0.361743 1 0 0 28 A
-ATOM 221 CB . ILE A 1 28 . 0.776862 -9.82333 0.119858 1 0 0 28 A
-ATOM 222 CG1 . ILE A 1 28 . 1.05094 -8.29842 0.074971 1 0 0 28 A
-ATOM 223 CG2 . ILE A 1 28 . 1.07161 -10.5089 -1.23868 1 0 0 28 A
-ATOM 224 CD1 . ILE A 1 28 . 2.49775 -7.93067 -0.303305 1 0 0 28 A
-ATOM 225 N . LEU A 1 29 . -0.424096 -12.5386 1.35669 1 0 0 29 A
-ATOM 226 CA . LEU A 1 29 . -0.734427 -13.9652 1.25008 1 0 0 29 A
-ATOM 227 C . LEU A 1 29 . -2.21981 -14.217 1.46336 1 0 0 29 A
-ATOM 228 O . LEU A 1 29 . -2.83008 -15.0233 0.752564 1 0 0 29 A
-ATOM 229 CB . LEU A 1 29 . 0.14075 -14.7367 2.27057 1 0 0 29 A
-ATOM 230 CG . LEU A 1 29 . 1.67938 -14.6377 2.11149 1 0 0 29 A
-ATOM 231 CD1 . LEU A 1 29 . 2.3881 -15.4536 3.20855 1 0 0 29 A
-ATOM 232 CD2 . LEU A 1 29 . 2.16876 -15.1725 0.752809 1 0 0 29 A
-ATOM 233 N . ASP A 1 30 . -2.79471 -13.5664 2.47257 1 0 0 30 A
-ATOM 234 CA . ASP A 1 30 . -4.22549 -13.7248 2.76447 1 0 0 30 A
-ATOM 235 C . ASP A 1 30 . -5.06473 -13.2757 1.57452 1 0 0 30 A
-ATOM 236 O . ASP A 1 30 . -6.04133 -13.9413 1.19902 1 0 0 30 A
-ATOM 237 CB . ASP A 1 30 . -4.54293 -12.9665 4.09028 1 0 0 30 A
-ATOM 238 CG . ASP A 1 30 . -4.13918 -13.7552 5.32535 1 0 0 30 A
-ATOM 239 OD1 . ASP A 1 30 . -3.89886 -14.9846 5.18953 1 0 0 30 A
-ATOM 240 OD2 . ASP A 1 30 . -4.24696 -13.1913 6.43574 1 0 0 30 A
-ATOM 241 N . PHE A 1 31 . -4.69185 -12.1304 0.99583 1 0 0 31 A
-ATOM 242 CA . PHE A 1 31 . -5.436 -11.6004 -0.149545 1 0 0 31 A
-ATOM 243 C . PHE A 1 31 . -5.35077 -12.5712 -1.32501 1 0 0 31 A
-ATOM 244 O . PHE A 1 31 . -6.31951 -12.8348 -1.99956 1 0 0 31 A
-ATOM 245 CB . PHE A 1 31 . -4.89967 -10.1804 -0.509567 1 0 0 31 A
-ATOM 246 CG . PHE A 1 31 . -5.80316 -9.44002 -1.46642 1 0 0 31 A
-ATOM 247 CD1 . PHE A 1 31 . -6.88449 -8.67774 -0.978821 1 0 0 31 A
-ATOM 248 CD2 . PHE A 1 31 . -5.60818 -9.53214 -2.85983 1 0 0 31 A
-ATOM 249 CE1 . PHE A 1 31 . -7.75872 -8.03337 -1.86229 1 0 0 31 A
-ATOM 250 CE2 . PHE A 1 31 . -6.48253 -8.89177 -3.74608 1 0 0 31 A
-ATOM 251 CZ . PHE A 1 31 . -7.56068 -8.14145 -3.24399 1 0 0 31 A
-ATOM 252 N . VAL A 1 32 . -4.14691 -13.0913 -1.57171 1 0 0 32 A
-ATOM 253 CA . VAL A 1 32 . -3.96842 -14.0609 -2.66029 1 0 0 32 A
-ATOM 254 C . VAL A 1 32 . -4.84076 -15.292 -2.46368 1 0 0 32 A
-ATOM 255 O . VAL A 1 32 . -5.43764 -15.8017 -3.40971 1 0 0 32 A
-ATOM 256 CB . VAL A 1 32 . -2.45244 -14.4514 -2.7793 1 0 0 32 A
-ATOM 257 CG1 . VAL A 1 32 . -2.16542 -15.5285 -3.84185 1 0 0 32 A
-ATOM 258 CG2 . VAL A 1 32 . -1.55815 -13.23 -3.06217 1 0 0 32 A
-ATOM 259 N . GLU A 1 33 . -4.85327 -15.8103 -1.23669 1 0 0 33 A
-ATOM 260 CA . GLU A 1 33 . -5.66733 -16.966 -0.927324 1 0 0 33 A
-ATOM 261 C . GLU A 1 33 . -7.13968 -16.6842 -1.18869 1 0 0 33 A
-ATOM 262 O . GLU A 1 33 . -7.85912 -17.5415 -1.74118 1 0 0 33 A
-ATOM 263 CB . GLU A 1 33 . -5.41541 -17.3803 0.544889 1 0 0 33 A
-ATOM 264 CG . GLU A 1 33 . -6.22764 -18.6131 1.04896 1 0 0 33 A
-ATOM 265 CD . GLU A 1 33 . -6.06858 -18.9518 2.53249 1 0 0 33 A
-ATOM 266 OE1 . GLU A 1 33 . -5.31027 -18.1788 3.17666 1 0 0 33 A
-ATOM 267 OE2 . GLU A 1 33 . -6.65589 -19.9442 3.01503 1 0 0 33 A
-ATOM 268 N . ARG A 1 34 . -7.60726 -15.497 -0.780319 1 0 0 34 A
-ATOM 269 CA . ARG A 1 34 . -9.00671 -15.1529 -1.00175 1 0 0 34 A
-ATOM 270 C . ARG A 1 34 . -9.34758 -15.0901 -2.49427 1 0 0 34 A
-ATOM 271 O . ARG A 1 34 . -10.373 -15.5986 -2.94644 1 0 0 34 A
-ATOM 272 CB . ARG A 1 34 . -9.34127 -13.8204 -0.262628 1 0 0 34 A
-ATOM 273 CG . ARG A 1 34 . -9.56135 -13.9305 1.26772 1 0 0 34 A
-ATOM 274 CD . ARG A 1 34 . -10.3211 -12.7385 1.87886 1 0 0 34 A
-ATOM 275 NE . ARG A 1 34 . -9.4022 -11.5542 1.82213 1 0 0 34 A
-ATOM 276 CZ . ARG A 1 34 . -8.41655 -11.351 2.70689 1 0 0 34 A
-ATOM 277 NH1 . ARG A 1 34 . -8.25244 -12.2458 3.67714 1 0 0 34 A
-ATOM 278 NH2 . ARG A 1 34 . -7.5953 -10.3081 2.62404 1 0 0 34 A
-ATOM 279 N . VAL A 1 35 . -8.42756 -14.5035 -3.26623 1 0 0 35 A
-ATOM 280 CA . VAL A 1 35 . -8.62561 -14.4317 -4.71743 1 0 0 35 A
-ATOM 281 C . VAL A 1 35 . -8.70614 -15.8459 -5.30068 1 0 0 35 A
-ATOM 282 O . VAL A 1 35 . -9.57329 -16.1444 -6.12757 1 0 0 35 A
-ATOM 283 CB . VAL A 1 35 . -7.47816 -13.6017 -5.39519 1 0 0 35 A
-ATOM 284 CG1 . VAL A 1 35 . -7.56387 -13.5547 -6.93208 1 0 0 35 A
-ATOM 285 CG2 . VAL A 1 35 . -7.41154 -12.1587 -4.86141 1 0 0 35 A
-ATOM 286 N . LEU A 1 36 . -7.78858 -16.7055 -4.86967 1 0 0 36 A
-ATOM 287 CA . LEU A 1 36 . -7.75861 -18.0824 -5.34154 1 0 0 36 A
-ATOM 288 C . LEU A 1 36 . -9.05605 -18.8381 -5.02403 1 0 0 36 A
-ATOM 289 O . LEU A 1 36 . -9.53807 -19.6209 -5.83135 1 0 0 36 A
-ATOM 290 CB . LEU A 1 36 . -6.51634 -18.7678 -4.71743 1 0 0 36 A
-ATOM 291 CG . LEU A 1 36 . -5.22347 -18.8181 -5.57093 1 0 0 36 A
-ATOM 292 CD1 . LEU A 1 36 . -4.85964 -17.4113 -6.08117 1 0 0 36 A
-ATOM 293 CD2 . LEU A 1 36 . -4.01289 -19.3469 -4.77944 1 0 0 36 A
-ATOM 294 N . ARG A 1 37 . -9.59982 -18.5596 -3.84106 1 0 0 37 A
-ATOM 295 CA . ARG A 1 37 . -10.8211 -19.1793 -3.38245 1 0 0 37 A
-ATOM 296 C . ARG A 1 37 . -12.1184 -18.5355 -3.98395 1 0 0 37 A
-ATOM 297 O . ARG A 1 37 . -13.1894 -18.9926 -3.74843 1 0 0 37 A
-ATOM 298 CB . ARG A 1 37 . -10.8255 -19.1701 -1.82248 1 0 0 37 A
-ATOM 299 CG . ARG A 1 37 . -9.69922 -19.9844 -1.13625 1 0 0 37 A
-ATOM 300 CD . ARG A 1 37 . -9.74585 -19.9449 0.40254 1 0 0 37 A
-ATOM 301 NE . ARG A 1 37 . -8.72321 -20.9231 0.899822 1 0 0 37 A
-ATOM 302 CZ . ARG A 1 37 . -8.97286 -22.2318 1.04322 1 0 0 37 A
-ATOM 303 NH1 . ARG A 1 37 . -10.1863 -22.6754 0.727681 1 0 0 37 A
-ATOM 304 NH2 . ARG A 1 37 . -8.04436 -23.0876 1.46073 1 0 0 37 A
-ATOM 305 N . GLY A 1 38 . -11.9156 -17.4458 -4.72912 1 0 0 38 A
-ATOM 306 CA . GLY A 1 38 . -13.0284 -16.7246 -5.38471 1 0 0 38 A
-ATOM 307 C . GLY A 1 38 . -13.9522 -16.0501 -4.41906 1 0 0 38 A
-ATOM 308 O . GLY A 1 38 . -15.0819 -15.7714 -4.76399 1 0 0 38 A
-ATOM 309 N . GLU A 1 39 . -13.4382 -15.7163 -3.22439 1 0 0 39 A
-ATOM 310 CA . GLU A 1 39 . -14.2491 -15.0642 -2.21657 1 0 0 39 A
-ATOM 311 C . GLU A 1 39 . -14.4503 -13.5944 -2.53104 1 0 0 39 A
-ATOM 312 O . GLU A 1 39 . -15.5025 -13.0115 -2.22679 1 0 0 39 A
-ATOM 313 CB . GLU A 1 39 . -13.5825 -15.2684 -0.832205 1 0 0 39 A
-ATOM 314 CG . GLU A 1 39 . -13.4704 -16.7468 -0.347023 1 0 0 39 A
-ATOM 315 CD . GLU A 1 39 . -12.746 -16.9558 0.98431 1 0 0 39 A
-ATOM 316 OE1 . GLU A 1 39 . -12.3737 -15.8984 1.55948 1 0 0 39 A
-ATOM 317 OE2 . GLU A 1 39 . -12.5485 -18.1124 1.41521 1 0 0 39 A
-ATOM 318 N . ASP A 1 40 . -13.4478 -12.9783 -3.15725 1 0 0 40 A
-ATOM 319 CA . ASP A 1 40 . -13.4934 -11.5482 -3.48868 1 0 0 40 A
-ATOM 320 C . ASP A 1 40 . -13.0347 -11.3125 -4.92887 1 0 0 40 A
-ATOM 321 O . ASP A 1 40 . -11.961 -10.8332 -5.19989 1 0 0 40 A
-ATOM 322 CB . ASP A 1 40 . -12.6615 -10.7734 -2.42035 1 0 0 40 A
-ATOM 323 CG . ASP A 1 40 . -12.6589 -9.27214 -2.65816 1 0 0 40 A
-ATOM 324 OD1 . ASP A 1 40 . -13.5354 -8.79362 -3.42655 1 0 0 40 A
-ATOM 325 OD2 . ASP A 1 40 . -11.6823 -8.61817 -2.23278 1 0 0 40 A
-ATOM 326 N . PRO A 1 41 . -13.8743 -11.664 -5.86877 1 0 0 41 A
-ATOM 327 CA . PRO A 1 41 . -13.5554 -11.5412 -7.27843 1 0 0 41 A
-ATOM 328 C . PRO A 1 41 . -13.2298 -10.0827 -7.67387 1 0 0 41 A
-ATOM 329 O . PRO A 1 41 . -12.3014 -9.83269 -8.4289 1 0 0 41 A
-ATOM 330 CB . PRO A 1 41 . -14.8526 -12.0367 -7.94437 1 0 0 41 A
-ATOM 331 CG . PRO A 1 41 . -15.5426 -12.8681 -6.86104 1 0 0 41 A
-ATOM 332 CD . PRO A 1 41 . -15.0852 -12.1997 -5.56298 1 0 0 41 A
-ATOM 333 N . GLU A 1 42 . -14.0525 -9.15727 -7.17534 1 0 0 42 A
-ATOM 334 CA . GLU A 1 42 . -13.8494 -7.73946 -7.48958 1 0 0 42 A
-ATOM 335 C . GLU A 1 42 . -12.5353 -7.24462 -6.94277 1 0 0 42 A
-ATOM 336 O . GLU A 1 42 . -11.7522 -6.50099 -7.60453 1 0 0 42 A
-ATOM 337 CB . GLU A 1 42 . -15.045 -6.92466 -6.93361 1 0 0 42 A
-ATOM 338 CG . GLU A 1 42 . -16.4421 -7.28231 -7.52848 1 0 0 42 A
-ATOM 339 CD . GLU A 1 42 . -17.5976 -6.37446 -7.10244 1 0 0 42 A
-ATOM 340 OE1 . GLU A 1 42 . -17.7846 -6.29901 -5.85868 1 0 0 42 A
-ATOM 341 OE2 . GLU A 1 42 . -18.2851 -5.78823 -7.96628 1 0 0 42 A
-ATOM 342 N . GLY A 1 43 . -12.1737 -7.67653 -5.72349 1 0 0 43 A
-ATOM 343 CA . GLY A 1 43 . -10.9181 -7.32716 -5.12041 1 0 0 43 A
-ATOM 344 C . GLY A 1 43 . -9.77212 -7.93127 -5.91281 1 0 0 43 A
-ATOM 345 O . GLY A 1 43 . -8.73787 -7.28439 -6.13003 1 0 0 43 A
-ATOM 346 N . ALA A 1 44 . -9.92191 -9.18078 -6.32561 1 0 0 44 A
-ATOM 347 CA . ALA A 1 44 . -8.89286 -9.85501 -7.10771 1 0 0 44 A
-ATOM 348 C . ALA A 1 44 . -8.65749 -9.1105 -8.42151 1 0 0 44 A
-ATOM 349 O . ALA A 1 44 . -7.54793 -8.87978 -8.82726 1 0 0 44 A
-ATOM 350 CB . ALA A 1 44 . -9.27673 -11.3343 -7.36598 1 0 0 44 A
-ATOM 351 N . ALA A 1 45 . -9.75764 -8.7304 -9.08209 1 0 0 45 A
-ATOM 352 CA . ALA A 1 45 . -9.6597 -8.00697 -10.3577 1 0 0 45 A
-ATOM 353 C . ALA A 1 45 . -8.99891 -6.64758 -10.1442 1 0 0 45 A
-ATOM 354 O . ALA A 1 45 . -8.13956 -6.24525 -10.9427 1 0 0 45 A
-ATOM 355 CB . ALA A 1 45 . -11.0565 -7.85165 -11.0114 1 0 0 45 A
-ATOM 356 N . ARG A 1 46 . -9.36913 -5.95288 -9.07444 1 0 0 46 A
-ATOM 357 CA . ARG A 1 46 . -8.75786 -4.65893 -8.77617 1 0 0 46 A
-ATOM 358 C . ARG A 1 46 . -7.25942 -4.81025 -8.52683 1 0 0 46 A
-ATOM 359 O . ARG A 1 46 . -6.44725 -4.01227 -9.02199 1 0 0 46 A
-ATOM 360 CB . ARG A 1 46 . -9.49113 -3.98232 -7.57696 1 0 0 46 A
-ATOM 361 CG . ARG A 1 46 . -10.8803 -3.3699 -7.88957 1 0 0 46 A
-ATOM 362 CD . ARG A 1 46 . -11.3962 -2.40227 -6.80831 1 0 0 46 A
-ATOM 363 NE . ARG A 1 46 . -11.6635 -3.21786 -5.57812 1 0 0 46 A
-ATOM 364 CZ . ARG A 1 46 . -12.8403 -3.81114 -5.33608 1 0 0 46 A
-ATOM 365 NH1 . ARG A 1 46 . -13.811 -3.6649 -6.2335 1 0 0 46 A
-ATOM 366 NH2 . ARG A 1 46 . -13.0493 -4.55235 -4.25171 1 0 0 46 A
-ATOM 367 N . LEU A 1 47 . -6.87689 -5.82547 -7.7631 1 0 0 47 A
-ATOM 368 CA . LEU A 1 47 . -5.49728 -6.06849 -7.46974 1 0 0 47 A
-ATOM 369 C . LEU A 1 47 . -4.71581 -6.35165 -8.7498 1 0 0 47 A
-ATOM 370 O . LEU A 1 47 . -3.58694 -5.83922 -8.92838 1 0 0 47 A
-ATOM 371 CB . LEU A 1 47 . -5.40384 -7.23891 -6.45788 1 0 0 47 A
-ATOM 372 CG . LEU A 1 47 . -4.00693 -7.86608 -6.21745 1 0 0 47 A
-ATOM 373 CD1 . LEU A 1 47 . -2.97482 -6.77204 -5.88664 1 0 0 47 A
-ATOM 374 CD2 . LEU A 1 47 . -4.00272 -8.86973 -5.04944 1 0 0 47 A
-ATOM 375 N . ARG A 1 48 . -5.28651 -7.16619 -9.63181 1 0 0 48 A
-ATOM 376 CA . ARG A 1 48 . -4.62322 -7.48976 -10.8886 1 0 0 48 A
-ATOM 377 C . ARG A 1 48 . -4.37426 -6.22768 -11.7018 1 0 0 48 A
-ATOM 378 O . ARG A 1 48 . -3.28161 -6.0205 -12.264 1 0 0 48 A
-ATOM 379 CB . ARG A 1 48 . -5.4505 -8.54923 -11.6803 1 0 0 48 A
-ATOM 380 CG . ARG A 1 48 . -5.31592 -10.0153 -11.1955 1 0 0 48 A
-ATOM 381 CD . ARG A 1 48 . -5.91148 -11.0531 -12.1649 1 0 0 48 A
-ATOM 382 NE . ARG A 1 48 . -7.39645 -11.0529 -11.9531 1 0 0 48 A
-ATOM 383 CZ . ARG A 1 48 . -8.02437 -11.9486 -11.1792 1 0 0 48 A
-ATOM 384 NH1 . ARG A 1 48 . -7.28919 -12.8775 -10.5746 1 0 0 48 A
-ATOM 385 NH2 . ARG A 1 48 . -9.33939 -11.9156 -10.9829 1 0 0 48 A
-ATOM 386 N . GLU A 1 49 . -5.39063 -5.38408 -11.7951 1 0 0 49 A
-ATOM 387 CA . GLU A 1 49 . -5.27013 -4.12521 -12.5275 1 0 0 49 A
-ATOM 388 C . GLU A 1 49 . -4.1743 -3.24709 -11.94 1 0 0 49 A
-ATOM 389 O . GLU A 1 49 . -3.36996 -2.64185 -12.6564 1 0 0 49 A
-ATOM 390 CB . GLU A 1 49 . -6.64439 -3.40836 -12.5211 1 0 0 49 A
-ATOM 391 CG . GLU A 1 49 . -7.77143 -4.09941 -13.3493 1 0 0 49 A
-ATOM 392 CD . GLU A 1 49 . -9.1496 -3.43897 -13.276 1 0 0 49 A
-ATOM 393 OE1 . GLU A 1 49 . -9.24998 -2.50893 -12.4319 1 0 0 49 A
-ATOM 394 OE2 . GLU A 1 49 . -10.0777 -3.84294 -14.0094 1 0 0 49 A
-ATOM 395 N . LYS A 1 50 . -4.1698 -3.16585 -10.6157 1 0 0 50 A
-ATOM 396 CA . LYS A 1 50 . -3.174 -2.34451 -9.92436 1 0 0 50 A
-ATOM 397 C . LYS A 1 50 . -1.75687 -2.87555 -10.1415 1 0 0 50 A
-ATOM 398 O . LYS A 1 50 . -0.817626 -2.10773 -10.3359 1 0 0 50 A
-ATOM 399 CB . LYS A 1 50 . -3.53002 -2.27926 -8.40693 1 0 0 50 A
-ATOM 400 CG . LYS A 1 50 . -4.63975 -1.28328 -8.02206 1 0 0 50 A
-ATOM 401 CD . LYS A 1 50 . -5.11419 -1.43396 -6.56474 1 0 0 50 A
-ATOM 402 CE . LYS A 1 50 . -6.0436 -0.296931 -6.13546 1 0 0 50 A
-ATOM 403 NZ . LYS A 1 50 . -5.285 0.934392 -5.93553 1 0 0 50 A
-ATOM 404 N . ILE A 1 51 . -1.60579 -4.19347 -10.1123 1 0 0 51 A
-ATOM 405 CA . ILE A 1 51 . -0.297045 -4.80343 -10.3307 1 0 0 51 A
-ATOM 406 C . ILE A 1 51 . 0.215299 -4.48456 -11.731 1 0 0 51 A
-ATOM 407 O . ILE A 1 51 . 1.39817 -4.19274 -11.9242 1 0 0 51 A
-ATOM 408 CB . ILE A 1 51 . -0.356508 -6.34464 -10.0374 1 0 0 51 A
-ATOM 409 CG1 . ILE A 1 51 . -0.522507 -6.68505 -8.53437 1 0 0 51 A
-ATOM 410 CG2 . ILE A 1 51 . 0.789536 -7.15457 -10.6955 1 0 0 51 A
-ATOM 411 CD1 . ILE A 1 51 . -0.762876 -8.17958 -8.25117 1 0 0 51 A
-ATOM 412 N . ALA A 1 52 . -0.679298 -4.54586 -12.7144 1 0 0 52 A
-ATOM 413 CA . ALA A 1 52 . -0.290236 -4.23533 -14.0837 1 0 0 52 A
-ATOM 414 C . ALA A 1 52 . 0.145616 -2.77971 -14.2133 1 0 0 52 A
-ATOM 415 O . ALA A 1 52 . 1.1635 -2.48013 -14.8336 1 0 0 52 A
-ATOM 416 CB . ALA A 1 52 . -1.44964 -4.55938 -15.0601 1 0 0 52 A
-ATOM 417 N . GLU A 1 53 . -0.598078 -1.87513 -13.5933 1 0 0 53 A
-ATOM 418 CA . GLU A 1 53 . -0.242091 -0.456028 -13.6072 1 0 0 53 A
-ATOM 419 C . GLU A 1 53 . 1.10397 -0.232676 -12.9282 1 0 0 53 A
-ATOM 420 O . GLU A 1 53 . 1.93235 0.542968 -13.4053 1 0 0 53 A
-ATOM 421 CB . GLU A 1 53 . -1.37043 0.359315 -12.9257 1 0 0 53 A
-ATOM 422 CG . GLU A 1 53 . -2.72345 0.41965 -13.6998 1 0 0 53 A
-ATOM 423 CD . GLU A 1 53 . -3.90109 1.02459 -12.9329 1 0 0 53 A
-ATOM 424 OE1 . GLU A 1 53 . -3.67153 1.28128 -11.7209 1 0 0 53 A
-ATOM 425 OE2 . GLU A 1 53 . -4.99393 1.21293 -13.5098 1 0 0 53 A
-ATOM 426 N . MET A 1 54 . 1.31535 -0.903021 -11.7986 1 0 0 54 A
-ATOM 427 CA . MET A 1 54 . 2.57272 -0.784266 -11.062 1 0 0 54 A
-ATOM 428 C . MET A 1 54 . 3.74227 -1.25909 -11.916 1 0 0 54 A
-ATOM 429 O . MET A 1 54 . 4.79315 -0.618009 -11.9592 1 0 0 54 A
-ATOM 430 CB . MET A 1 54 . 2.45868 -1.58712 -9.74101 1 0 0 54 A
-ATOM 431 CG . MET A 1 54 . 3.72035 -1.59298 -8.84064 1 0 0 54 A
-ATOM 432 SD . MET A 1 54 . 4.92489 -2.81344 -9.45051 1 0 0 54 A
-ATOM 433 CE . MET A 1 54 . 4.08699 -4.33445 -8.90566 1 0 0 54 A
-ATOM 434 N . LYS A 1 55 . 3.55258 -2.37852 -12.6146 1 0 0 55 A
-ATOM 435 CA . LYS A 1 55 . 4.61044 -2.91382 -13.4641 1 0 0 55 A
-ATOM 436 C . LYS A 1 55 . 4.98016 -1.93259 -14.5687 1 0 0 55 A
-ATOM 437 O . LYS A 1 55 . 6.15921 -1.75628 -14.8868 1 0 0 55 A
-ATOM 438 CB . LYS A 1 55 . 4.15666 -4.28595 -14.0514 1 0 0 55 A
-ATOM 439 CG . LYS A 1 55 . 5.17559 -4.99313 -14.9642 1 0 0 55 A
-ATOM 440 CD . LYS A 1 55 . 4.70353 -6.37783 -15.4452 1 0 0 55 A
-ATOM 441 CE . LYS A 1 55 . 5.80291 -7.14185 -16.1859 1 0 0 55 A
-ATOM 442 NZ . LYS A 1 55 . 6.11488 -6.48678 -17.4528 1 0 0 55 A
-ATOM 443 N . GLN A 1 56 . 3.97383 -1.29571 -15.1646 1 0 0 56 A
-ATOM 444 CA . GLN A 1 56 . 4.21223 -0.317605 -16.2299 1 0 0 56 A
-ATOM 445 C . GLN A 1 56 . 4.99451 0.868098 -15.6644 1 0 0 56 A
-ATOM 446 O . GLN A 1 56 . 5.93222 1.35233 -16.3071 1 0 0 56 A
-ATOM 447 CB . GLN A 1 56 . 2.86298 0.129154 -16.8483 1 0 0 56 A
-ATOM 448 CG . GLN A 1 56 . 2.9688 1.10452 -18.0483 1 0 0 56 A
-ATOM 449 CD . GLN A 1 56 . 1.61946 1.34468 -18.7284 1 0 0 56 A
-ATOM 450 OE1 . GLN A 1 56 . 0.592402 0.797076 -18.3306 1 0 0 56 A
-ATOM 451 NE2 . GLN A 1 56 . 1.60872 2.19235 -19.779 1 0 0 56 A
-ATOM 452 N . LEU A 1 57 . 4.60742 1.34751 -14.4987 1 0 0 57 A
-ATOM 453 CA . LEU A 1 57 . 5.29531 2.47716 -13.9031 1 0 0 57 A
-ATOM 454 C . LEU A 1 57 . 6.73182 2.10786 -13.5515 1 0 0 57 A
-ATOM 455 O . LEU A 1 57 . 7.65469 2.90163 -13.7707 1 0 0 57 A
-ATOM 456 CB . LEU A 1 57 . 4.49379 2.9489 -12.6631 1 0 0 57 A
-ATOM 457 CG . LEU A 1 57 . 5.12861 4.05262 -11.7792 1 0 0 57 A
-ATOM 458 CD1 . LEU A 1 57 . 5.51851 5.27132 -12.6362 1 0 0 57 A
-ATOM 459 CD2 . LEU A 1 57 . 4.17311 4.55137 -10.6793 1 0 0 57 A
-ATOM 460 N . ALA A 1 58 . 6.91371 0.922091 -13.0062 1 0 0 58 A
-ATOM 461 CA . ALA A 1 58 . 8.26257 0.447457 -12.6561 1 0 0 58 A
-ATOM 462 C . ALA A 1 58 . 9.12901 0.395673 -13.907 1 0 0 58 A
-ATOM 463 O . ALA A 1 58 . 10.2778 0.819169 -13.9105 1 0 0 58 A
-ATOM 464 CB . ALA A 1 58 . 8.20426 -0.936383 -11.9603 1 0 0 58 A
-ATOM 465 N . ASP A 1 59 . 8.5832 -0.133004 -14.9997 1 0 0 59 A
-ATOM 466 CA . ASP A 1 59 . 9.32785 -0.216139 -16.2507 1 0 0 59 A
-ATOM 467 C . ASP A 1 59 . 9.74637 1.17084 -16.7616 1 0 0 59 A
-ATOM 468 O . ASP A 1 59 . 10.8789 1.36725 -17.181 1 0 0 59 A
-ATOM 469 CB . ASP A 1 59 . 8.46094 -1.03154 -17.2593 1 0 0 59 A
-ATOM 470 CG . ASP A 1 59 . 8.50162 -2.52675 -16.9889 1 0 0 59 A
-ATOM 471 OD1 . ASP A 1 59 . 9.41929 -2.96881 -16.2473 1 0 0 59 A
-ATOM 472 OD2 . ASP A 1 59 . 7.74299 -3.2594 -17.6599 1 0 0 59 A
-ATOM 473 N . GLU A 1 60 . 8.81895 2.11782 -16.6801 1 0 0 60 A
-ATOM 474 CA . GLU A 1 60 . 9.10213 3.49723 -17.0685 1 0 0 60 A
-ATOM 475 C . GLU A 1 60 . 10.198 4.10401 -16.1843 1 0 0 60 A
-ATOM 476 O . GLU A 1 60 . 11.1225 4.74474 -16.6561 1 0 0 60 A
-ATOM 477 CB . GLU A 1 60 . 7.79012 4.31978 -17.0011 1 0 0 60 A
-ATOM 478 CG . GLU A 1 60 . 6.71364 3.96489 -18.073 1 0 0 60 A
-ATOM 479 CD . GLU A 1 60 . 5.3772 4.69783 -17.9401 1 0 0 60 A
-ATOM 480 OE1 . GLU A 1 60 . 5.28313 5.45589 -16.9381 1 0 0 60 A
-ATOM 481 OE2 . GLU A 1 60 . 4.47255 4.50863 -18.7817 1 0 0 60 A
-ATOM 482 N . LEU A 1 61 . 10.0805 3.87969 -14.8724 1 0 0 61 A
-ATOM 483 CA . LEU A 1 61 . 11.0731 4.39735 -13.9297 1 0 0 61 A
-ATOM 484 C . LEU A 1 61 . 12.4562 3.83141 -14.2126 1 0 0 61 A
-ATOM 485 O . LEU A 1 61 . 13.4562 4.54182 -14.2228 1 0 0 61 A
-ATOM 486 CB . LEU A 1 61 . 10.5927 4.07326 -12.4921 1 0 0 61 A
-ATOM 487 CG . LEU A 1 61 . 9.47457 4.96473 -11.8941 1 0 0 61 A
-ATOM 488 CD1 . LEU A 1 61 . 8.92959 4.34566 -10.5936 1 0 0 61 A
-ATOM 489 CD2 . LEU A 1 61 . 9.96762 6.3839 -11.5558 1 0 0 61 A
-ATOM 490 N . ASP A 1 62 . 12.5058 2.52773 -14.4608 1 0 0 62 A
-ATOM 491 CA . ASP A 1 62 . 13.7946 1.88143 -14.7422 1 0 0 62 A
-ATOM 492 C . ASP A 1 62 . 14.4258 2.45089 -15.9986 1 0 0 62 A
-ATOM 493 O . ASP A 1 62 . 15.6484 2.54748 -16.0959 1 0 0 62 A
-ATOM 494 CB . ASP A 1 62 . 13.5612 0.339703 -14.7892 1 0 0 62 A
-ATOM 495 CG . ASP A 1 62 . 14.84 -0.436759 -15.0578 1 0 0 62 A
-ATOM 496 OD1 . ASP A 1 62 . 15.6408 -0.606839 -14.1 1 0 0 62 A
-ATOM 497 OD2 . ASP A 1 62 . 15.1192 -0.703063 -16.2468 1 0 0 62 A
-ATOM 498 N . ALA A 1 63 . 13.6022 2.80261 -16.9868 1 0 0 63 A
-ATOM 499 CA . ALA A 1 63 . 14.0923 3.35212 -18.2462 1 0 0 63 A
-ATOM 500 C . ALA A 1 63 . 14.5851 4.80625 -18.1393 1 0 0 63 A
-ATOM 501 O . ALA A 1 63 . 15.2184 5.29528 -19.0765 1 0 0 63 A
-ATOM 502 CB . ALA A 1 63 . 12.9798 3.21755 -19.3171 1 0 0 63 A
-ATOM 503 N . THR A 1 64 . 14.1919 5.42433 -17.0488 1 0 0 64 A
-ATOM 504 CA . THR A 1 64 . 14.5501 6.84035 -16.8587 1 0 0 64 A
-ATOM 505 C . THR A 1 64 . 15.4612 7.09986 -15.6928 1 0 0 64 A
-ATOM 506 O . THR A 1 64 . 15.1701 6.70016 -14.5687 1 0 0 64 A
-ATOM 507 CB . THR A 1 64 . 13.2488 7.71789 -16.8191 1 0 0 64 A
-ATOM 508 OG1 . THR A 1 64 . 12.3796 7.4437 -17.921 1 0 0 64 A
-ATOM 509 CG2 . THR A 1 64 . 13.4647 9.23163 -16.7653 1 0 0 64 A
-ATOM 510 N . PRO A 1 65 . 16.5861 7.74897 -15.917 1 0 0 65 A
-ATOM 511 CA . PRO A 1 65 . 17.5256 8.10983 -14.8682 1 0 0 65 A
-ATOM 512 C . PRO A 1 65 . 16.9234 9.16224 -13.9534 1 0 0 65 A
-ATOM 513 O . PRO A 1 65 . 16.4383 10.2055 -14.4365 1 0 0 65 A
-ATOM 514 CB . PRO A 1 65 . 18.7244 8.66212 -15.6615 1 0 0 65 A
-ATOM 515 CG . PRO A 1 65 . 18.6772 7.91125 -16.9937 1 0 0 65 A
-ATOM 516 CD . PRO A 1 65 . 17.2161 8.05497 -17.4245 1 0 0 65 A
-ATOM 517 N . LEU A 1 66 . 16.9031 8.92035 -12.6409 1 0 0 66 A
-ATOM 518 CA . LEU A 1 66 . 16.3277 9.86732 -11.6902 1 0 0 66 A
-ATOM 519 C . LEU A 1 66 . 17.3787 10.2474 -10.673 1 0 0 66 A
-ATOM 520 O . LEU A 1 66 . 18.1576 9.43883 -10.203 1 0 0 66 A
-ATOM 521 CB . LEU A 1 66 . 15.0744 9.24014 -11.0281 1 0 0 66 A
-ATOM 522 CG . LEU A 1 66 . 13.8325 9.00748 -11.9259 1 0 0 66 A
-ATOM 523 CD1 . LEU A 1 66 . 12.6609 8.45563 -11.0925 1 0 0 66 A
-ATOM 524 CD2 . LEU A 1 66 . 13.3439 10.3002 -12.6055 1 0 0 66 A
-ATOM 525 N . SER A 1 67 . 17.3331 11.4845 -10.2813 1 0 0 67 A
-ATOM 526 CA . SER A 1 67 . 18.231 12.0899 -9.28649 1 0 0 67 A
-ATOM 527 C . SER A 1 67 . 17.7871 11.6355 -7.91066 1 0 0 67 A
-ATOM 528 O . SER A 1 67 . 16.6874 11.0883 -7.76378 1 0 0 67 A
-ATOM 529 CB . SER A 1 67 . 18.285 13.646 -9.38202 1 0 0 67 A
-ATOM 530 OG . SER A 1 67 . 17.1392 14.2693 -8.79589 1 0 0 67 A
-ATOM 531 N . ASP A 1 68 . 18.6131 11.8395 -6.89403 1 0 0 68 A
-ATOM 532 CA . ASP A 1 68 . 18.2452 11.4108 -5.54915 1 0 0 68 A
-ATOM 533 C . ASP A 1 68 . 17.0074 12.122 -5.07582 1 0 0 68 A
-ATOM 534 O . ASP A 1 68 . 16.129 11.5302 -4.46056 1 0 0 68 A
-ATOM 535 CB . ASP A 1 68 . 19.4858 11.6072 -4.62399 1 0 0 68 A
-ATOM 536 CG . ASP A 1 68 . 20.5899 10.6014 -4.90607 1 0 0 68 A
-ATOM 537 OD1 . ASP A 1 68 . 20.3219 9.62335 -5.65387 1 0 0 68 A
-ATOM 538 OD2 . ASP A 1 68 . 21.6429 10.692 -4.23857 1 0 0 68 A
-ATOM 539 N . GLU A 1 69 . 16.9413 13.4189 -5.35433 1 0 0 69 A
-ATOM 540 CA . GLU A 1 69 . 15.8084 14.2711 -4.9488 1 0 0 69 A
-ATOM 541 C . GLU A 1 69 . 14.5247 13.7025 -5.61868 1 0 0 69 A
-ATOM 542 O . GLU A 1 69 . 13.467 13.6522 -4.96884 1 0 0 69 A
-ATOM 543 CB . GLU A 1 69 . 16.0588 15.7472 -5.35002 1 0 0 69 A
-ATOM 544 CG . GLU A 1 69 . 14.8416 16.7087 -5.18464 1 0 0 69 A
-ATOM 545 CD . GLU A 1 69 . 15.0099 18.1036 -5.79052 1 0 0 69 A
-ATOM 546 OE1 . GLU A 1 69 . 16.1024 18.2961 -6.38799 1 0 0 69 A
-ATOM 547 OE2 . GLU A 1 69 . 14.1066 18.9574 -5.65793 1 0 0 69 A
-ATOM 548 N . GLN A 1 70 . 14.653 13.3948 -6.88724 1 0 0 70 A
-ATOM 549 CA . GLN A 1 70 . 13.4898 12.7963 -7.60175 1 0 0 70 A
-ATOM 550 C . GLN A 1 70 . 13.0345 11.4485 -7.03456 1 0 0 70 A
-ATOM 551 O . GLN A 1 70 . 11.8465 11.1853 -6.8853 1 0 0 70 A
-ATOM 552 CB . GLN A 1 70 . 13.8745 12.6868 -9.09926 1 0 0 70 A
-ATOM 553 CG . GLN A 1 70 . 13.815 14.011 -9.90253 1 0 0 70 A
-ATOM 554 CD . GLN A 1 70 . 14.3513 13.8563 -11.3271 1 0 0 70 A
-ATOM 555 OE1 . GLN A 1 70 . 15.3875 13.2359 -11.5603 1 0 0 70 A
-ATOM 556 NE2 . GLN A 1 70 . 13.6288 14.4251 -12.3155 1 0 0 70 A
-ATOM 557 N . LEU A 1 71 . 13.9988 10.6371 -6.74409 1 0 0 71 A
-ATOM 558 CA . LEU A 1 71 . 13.7157 9.31821 -6.13793 1 0 0 71 A
-ATOM 559 C . LEU A 1 71 . 13.0121 9.49915 -4.80125 1 0 0 71 A
-ATOM 560 O . LEU A 1 71 . 12.0506 8.78647 -4.51957 1 0 0 71 A
-ATOM 561 CB . LEU A 1 71 . 15.0437 8.53146 -5.99668 1 0 0 71 A
-ATOM 562 CG . LEU A 1 71 . 15.0104 7.21344 -5.18169 1 0 0 71 A
-ATOM 563 CD1 . LEU A 1 71 . 14.0812 6.18666 -5.85543 1 0 0 71 A
-ATOM 564 CD2 . LEU A 1 71 . 16.3999 6.56164 -5.0549 1 0 0 71 A
-ATOM 565 N . LYS A 1 72 . 13.5071 10.3901 -3.9553 1 0 0 72 A
-ATOM 566 CA . LYS A 1 72 . 12.8914 10.5367 -2.63914 1 0 0 72 A
-ATOM 567 C . LYS A 1 72 . 11.491 11.1218 -2.75924 1 0 0 72 A
-ATOM 568 O . LYS A 1 72 . 10.5937 10.7441 -2.0067 1 0 0 72 A
-ATOM 569 CB . LYS A 1 72 . 13.8012 11.4221 -1.73249 1 0 0 72 A
-ATOM 570 CG . LYS A 1 72 . 15.1453 10.7953 -1.31762 1 0 0 72 A
-ATOM 571 CD . LYS A 1 72 . 15.9469 11.6691 -0.334989 1 0 0 72 A
-ATOM 572 CE . LYS A 1 72 . 17.2236 10.9785 0.148766 1 0 0 72 A
-ATOM 573 NZ . LYS A 1 72 . 17.93 11.8245 1.10629 1 0 0 72 A
-ATOM 574 N . GLU A 1 73 . 11.2708 12.0548 -3.69808 1 0 0 73 A
-ATOM 575 CA . GLU A 1 73 . 9.92186 12.569 -3.91821 1 0 0 73 A
-ATOM 576 C . GLU A 1 73 . 9.00285 11.4265 -4.39927 1 0 0 73 A
-ATOM 577 O . GLU A 1 73 . 7.85309 11.3338 -3.97496 1 0 0 73 A
-ATOM 578 CB . GLU A 1 73 . 9.96614 13.7366 -4.93668 1 0 0 73 A
-ATOM 579 CG . GLU A 1 73 . 10.4805 15.1002 -4.38024 1 0 0 73 A
-ATOM 580 CD . GLU A 1 73 . 10.5484 16.2469 -5.39091 1 0 0 73 A
-ATOM 581 OE1 . GLU A 1 73 . 9.97672 16.0215 -6.49089 1 0 0 73 A
-ATOM 582 OE2 . GLU A 1 73 . 11.1546 17.3013 -5.1023 1 0 0 73 A
-ATOM 583 N . PHE A 1 74 . 9.51237 10.578 -5.28102 1 0 0 74 A
-ATOM 584 CA . PHE A 1 74 . 8.75527 9.42896 -5.78 1 0 0 74 A
-ATOM 585 C . PHE A 1 74 . 8.39191 8.47246 -4.63658 1 0 0 74 A
-ATOM 586 O . PHE A 1 74 . 7.2442 8.03574 -4.51836 1 0 0 74 A
-ATOM 587 CB . PHE A 1 74 . 9.57624 8.72712 -6.90563 1 0 0 74 A
-ATOM 588 CG . PHE A 1 74 . 8.95763 7.42481 -7.35441 1 0 0 74 A
-ATOM 589 CD1 . PHE A 1 74 . 7.777 7.42593 -8.12525 1 0 0 74 A
-ATOM 590 CD2 . PHE A 1 74 . 9.52308 6.18976 -6.97623 1 0 0 74 A
-ATOM 591 CE1 . PHE A 1 74 . 7.1677 6.222 -8.49852 1 0 0 74 A
-ATOM 592 CE2 . PHE A 1 74 . 8.91447 4.98411 -7.345 1 0 0 74 A
-ATOM 593 CZ . PHE A 1 74 . 7.73309 5.00237 -8.10757 1 0 0 74 A
-ATOM 594 N . VAL A 1 75 . 9.37131 8.16289 -3.79526 1 0 0 75 A
-ATOM 595 CA . VAL A 1 75 . 9.14427 7.28247 -2.64714 1 0 0 75 A
-ATOM 596 C . VAL A 1 75 . 8.08039 7.88719 -1.72025 1 0 0 75 A
-ATOM 597 O . VAL A 1 75 . 7.18887 7.16089 -1.25831 1 0 0 75 A
-ATOM 598 CB . VAL A 1 75 . 10.4875 7.02218 -1.87716 1 0 0 75 A
-ATOM 599 CG1 . VAL A 1 75 . 10.3167 6.21633 -0.57599 1 0 0 75 A
-ATOM 600 CG2 . VAL A 1 75 . 11.5356 6.31782 -2.75867 1 0 0 75 A
-ATOM 601 N . GLU A 1 76 . 8.17912 9.18296 -1.44264 1 0 0 76 A
-ATOM 602 CA . GLU A 1 76 . 7.20322 9.83896 -0.573459 1 0 0 76 A
-ATOM 603 C . GLU A 1 76 . 5.79861 9.7176 -1.1633 1 0 0 76 A
-ATOM 604 O . GLU A 1 76 . 4.82985 9.45943 -0.448649 1 0 0 76 A
-ATOM 605 CB . GLU A 1 76 . 7.61257 11.3196 -0.36735 1 0 0 76 A
-ATOM 606 CG . GLU A 1 76 . 8.77808 11.5651 0.640083 1 0 0 76 A
-ATOM 607 CD . GLU A 1 76 . 9.28403 13.0061 0.732175 1 0 0 76 A
-ATOM 608 OE1 . GLU A 1 76 . 8.48302 13.8798 0.304895 1 0 0 76 A
-ATOM 609 OE2 . GLU A 1 76 . 10.4232 13.2421 1.18934 1 0 0 76 A
-ATOM 610 N . ARG A 1 77 . 5.69375 9.93455 -2.46606 1 0 0 77 A
-ATOM 611 CA . ARG A 1 77 . 4.40401 9.86181 -3.14877 1 0 0 77 A
-ATOM 612 C . ARG A 1 77 . 3.8391 8.44748 -3.06279 1 0 0 77 A
-ATOM 613 O . ARG A 1 77 . 2.65233 8.25231 -2.79347 1 0 0 77 A
-ATOM 614 CB . ARG A 1 77 . 4.53843 10.3559 -4.62234 1 0 0 77 A
-ATOM 615 CG . ARG A 1 77 . 3.21114 10.5248 -5.40482 1 0 0 77 A
-ATOM 616 CD . ARG A 1 77 . 3.3748 11.2046 -6.77695 1 0 0 77 A
-ATOM 617 NE . ARG A 1 77 . 4.10436 10.2389 -7.66307 1 0 0 77 A
-ATOM 618 CZ . ARG A 1 77 . 5.31519 10.4915 -8.17853 1 0 0 77 A
-ATOM 619 NH1 . ARG A 1 77 . 5.88949 11.6548 -7.88576 1 0 0 77 A
-ATOM 620 NH2 . ARG A 1 77 . 5.95735 9.61101 -8.94093 1 0 0 77 A
-ATOM 621 N . LEU A 1 78 . 4.69427 7.45426 -3.28976 1 0 0 78 A
-ATOM 622 CA . LEU A 1 78 . 4.2668 6.0569 -3.22033 1 0 0 78 A
-ATOM 623 C . LEU A 1 78 . 3.79672 5.69871 -1.81311 1 0 0 78 A
-ATOM 624 O . LEU A 1 78 . 2.77486 5.03155 -1.63845 1 0 0 78 A
-ATOM 625 CB . LEU A 1 78 . 5.44013 5.15948 -3.68983 1 0 0 78 A
-ATOM 626 CG . LEU A 1 78 . 5.80786 5.19333 -5.1952 1 0 0 78 A
-ATOM 627 CD1 . LEU A 1 78 . 7.05531 4.33143 -5.46465 1 0 0 78 A
-ATOM 628 CD2 . LEU A 1 78 . 4.67667 4.65718 -6.09217 1 0 0 78 A
-ATOM 629 N . VAL A 1 79 . 4.54444 6.14449 -0.809508 1 0 0 79 A
-ATOM 630 CA . VAL A 1 79 . 4.16969 5.91169 0.580162 1 0 0 79 A
-ATOM 631 C . VAL A 1 79 . 2.80534 6.53378 0.878449 1 0 0 79 A
-ATOM 632 O . VAL A 1 79 . 1.9535 5.8964 1.50415 1 0 0 79 A
-ATOM 633 CB . VAL A 1 79 . 5.27365 6.47298 1.54511 1 0 0 79 A
-ATOM 634 CG1 . VAL A 1 79 . 4.93564 6.31851 3.03959 1 0 0 79 A
-ATOM 635 CG2 . VAL A 1 79 . 6.65178 5.83737 1.28367 1 0 0 79 A
-ATOM 636 N . GLU A 1 80 . 2.5926 7.76589 0.41819 1 0 0 80 A
-ATOM 637 CA . GLU A 1 80 . 1.31658 8.45252 0.637029 1 0 0 80 A
-ATOM 638 C . GLU A 1 80 . 0.171271 7.68078 -0.035928 1 0 0 80 A
-ATOM 639 O . GLU A 1 80 . -0.911378 7.52523 0.534943 1 0 0 80 A
-ATOM 640 CB . GLU A 1 80 . 1.41782 9.90564 0.107233 1 0 0 80 A
-ATOM 641 CG . GLU A 1 80 . 0.101782 10.741 0.16858 1 0 0 80 A
-ATOM 642 CD . GLU A 1 80 . -0.399593 11.0885 1.57171 1 0 0 80 A
-ATOM 643 OE1 . GLU A 1 80 . 0.41761 10.8551 2.50194 1 0 0 80 A
-ATOM 644 OE2 . GLU A 1 80 . -1.55031 11.5506 1.72926 1 0 0 80 A
-ATOM 645 N . GLU A 1 81 . 0.414541 7.23096 -1.2622 1 0 0 81 A
-ATOM 646 CA . GLU A 1 81 . -0.599292 6.47819 -2.00723 1 0 0 81 A
-ATOM 647 C . GLU A 1 81 . -0.940061 5.1762 -1.30819 1 0 0 81 A
-ATOM 648 O . GLU A 1 81 . -2.10081 4.75453 -1.26249 1 0 0 81 A
-ATOM 649 CB . GLU A 1 81 . -0.0860309 6.23719 -3.44979 1 0 0 81 A
-ATOM 650 CG . GLU A 1 81 . 0.165053 7.5199 -4.30138 1 0 0 81 A
-ATOM 651 CD . GLU A 1 81 . 0.739351 7.28663 -5.70019 1 0 0 81 A
-ATOM 652 OE1 . GLU A 1 81 . 0.781438 6.08105 -6.06409 1 0 0 81 A
-ATOM 653 OE2 . GLU A 1 81 . 1.13945 8.25448 -6.3826 1 0 0 81 A
-ATOM 654 N . ALA A 1 82 . 0.0773717 4.51054 -0.76636 1 0 0 82 A
-ATOM 655 CA . ALA A 1 82 . -0.106688 3.21482 -0.133268 1 0 0 82 A
-ATOM 656 C . ALA A 1 82 . -0.702388 3.31227 1.26588 1 0 0 82 A
-ATOM 657 O . ALA A 1 82 . -1.27582 2.33751 1.77518 1 0 0 82 A
-ATOM 658 CB . ALA A 1 82 . 1.24729 2.46064 -0.111708 1 0 0 82 A
-ATOM 659 N . ARG A 1 83 . -0.546299 4.4793 1.89268 1 0 0 83 A
-ATOM 660 CA . ARG A 1 83 . -1.0664 4.68904 3.24788 1 0 0 83 A
-ATOM 661 C . ARG A 1 83 . -2.56627 4.37855 3.3154 1 0 0 83 A
-ATOM 662 O . ARG A 1 83 . -3.33465 4.84046 2.47483 1 0 0 83 A
-ATOM 663 CB . ARG A 1 83 . -0.740564 6.13732 3.72739 1 0 0 83 A
-ATOM 664 CG . ARG A 1 83 . -1.02606 6.43761 5.22098 1 0 0 83 A
-ATOM 665 CD . ARG A 1 83 . -0.542646 7.82423 5.68488 1 0 0 83 A
-ATOM 666 NE . ARG A 1 83 . 0.940931 7.86911 5.46812 1 0 0 83 A
-ATOM 667 CZ . ARG A 1 83 . 1.81814 7.28148 6.29322 1 0 0 83 A
-ATOM 668 NH1 . ARG A 1 83 . 1.34271 6.63036 7.35101 1 0 0 83 A
-ATOM 669 NH2 . ARG A 1 83 . 3.12884 7.31019 6.06928 1 0 0 83 A
-ATOM 670 N . GLY A 1 84 . -2.95563 3.57407 4.31017 1 0 0 84 A
-ATOM 671 CA . GLY A 1 84 . -4.35552 3.22096 4.50694 1 0 0 84 A
-ATOM 672 C . GLY A 1 84 . -4.95791 2.48169 3.31912 1 0 0 84 A
-ATOM 673 O . GLY A 1 84 . -6.17796 2.42015 3.15015 1 0 0 84 A
-ATOM 674 N . ALA A 1 85 . -4.09813 1.90674 2.48451 1 0 0 85 A
-ATOM 675 CA . ALA A 1 85 . -4.55322 1.17961 1.30582 1 0 0 85 A
-ATOM 676 C . ALA A 1 85 . -5.07574 -0.212486 1.66104 1 0 0 85 A
-ATOM 677 O . ALA A 1 85 . -4.78744 -0.738382 2.73784 1 0 0 85 A
-ATOM 678 CB . ALA A 1 85 . -3.40928 1.0967 0.263211 1 0 0 85 A
-ATOM 679 N . ASP A 1 86 . -5.82274 -0.800207 0.741374 1 0 0 86 A
-ATOM 680 CA . ASP A 1 86 . -6.3097 -2.16424 0.918582 1 0 0 86 A
-ATOM 681 C . ASP A 1 86 . -5.16623 -3.15385 0.714836 1 0 0 86 A
-ATOM 682 O . ASP A 1 86 . -4.07533 -2.78225 0.298158 1 0 0 86 A
-ATOM 683 CB . ASP A 1 86 . -7.52409 -2.38901 -0.0344933 1 0 0 86 A
-ATOM 684 CG . ASP A 1 86 . -7.14139 -2.28796 -1.50205 1 0 0 86 A
-ATOM 685 OD1 . ASP A 1 86 . -5.92313 -2.39766 -1.80439 1 0 0 86 A
-ATOM 686 OD2 . ASP A 1 86 . -8.02212 -1.91756 -2.30803 1 0 0 86 A
-ATOM 687 N . PRO A 1 87 . -5.43234 -4.42102 1.0177 1 0 0 87 A
-ATOM 688 CA . PRO A 1 87 . -4.39787 -5.45135 0.86354 1 0 0 87 A
-ATOM 689 C . PRO A 1 87 . -3.87991 -5.51572 -0.568591 1 0 0 87 A
-ATOM 690 O . PRO A 1 87 . -2.68289 -5.73224 -0.798478 1 0 0 87 A
-ATOM 691 CB . PRO A 1 87 . -5.15493 -6.73416 1.2545 1 0 0 87 A
-ATOM 692 CG . PRO A 1 87 . -6.04626 -6.30851 2.42294 1 0 0 87 A
-ATOM 693 CD . PRO A 1 87 . -6.5482 -4.928 1.99496 1 0 0 87 A
-ATOM 694 N . ALA A 1 88 . -4.76285 -5.33665 -1.5341 1 0 0 88 A
-ATOM 695 CA . ALA A 1 88 . -4.37747 -5.35571 -2.9379 1 0 0 88 A
-ATOM 696 C . ALA A 1 88 . -3.33159 -4.27074 -3.22151 1 0 0 88 A
-ATOM 697 O . ALA A 1 88 . -2.32217 -4.51459 -3.89321 1 0 0 88 A
-ATOM 698 CB . ALA A 1 88 . -5.61967 -5.18472 -3.84905 1 0 0 88 A
-ATOM 699 N . THR A 1 89 . -3.57998 -3.07591 -2.70713 1 0 0 89 A
-ATOM 700 CA . THR A 1 89 . -2.63954 -1.96991 -2.88126 1 0 0 89 A
-ATOM 701 C . THR A 1 89 . -1.30495 -2.26935 -2.20532 1 0 0 89 A
-ATOM 702 O . THR A 1 89 . -0.239374 -1.9777 -2.7537 1 0 0 89 A
-ATOM 703 CB . THR A 1 89 . -3.25797 -0.601294 -2.42373 1 0 0 89 A
-ATOM 704 OG1 . THR A 1 89 . -4.39202 -0.231334 -3.21237 1 0 0 89 A
-ATOM 705 CG2 . THR A 1 89 . -2.29991 0.591424 -2.40245 1 0 0 89 A
-ATOM 706 N . LEU A 1 90 . -1.36081 -2.85627 -1.01387 1 0 0 90 A
-ATOM 707 CA . LEU A 1 90 . -0.147855 -3.21026 -0.293802 1 0 0 90 A
-ATOM 708 C . LEU A 1 90 . 0.684868 -4.21155 -1.09397 1 0 0 90 A
-ATOM 709 O . LEU A 1 90 . 1.90082 -4.08352 -1.20642 1 0 0 90 A
-ATOM 710 CB . LEU A 1 90 . -0.542758 -3.76155 1.09998 1 0 0 90 A
-ATOM 711 CG . LEU A 1 90 . -1.30977 -2.81045 2.05371 1 0 0 90 A
-ATOM 712 CD1 . LEU A 1 90 . -1.62756 -3.52108 3.38248 1 0 0 90 A
-ATOM 713 CD2 . LEU A 1 90 . -0.507751 -1.5402 2.39257 1 0 0 90 A
-ATOM 714 N . LEU A 1 91 . 0.0184291 -5.21464 -1.66591 1 0 0 91 A
-ATOM 715 CA . LEU A 1 91 . 0.707663 -6.20887 -2.4786 1 0 0 91 A
-ATOM 716 C . LEU A 1 91 . 1.34377 -5.55573 -3.70465 1 0 0 91 A
-ATOM 717 O . LEU A 1 91 . 2.47708 -5.87003 -4.07441 1 0 0 91 A
-ATOM 718 CB . LEU A 1 91 . -0.301688 -7.31937 -2.86652 1 0 0 91 A
-ATOM 719 CG . LEU A 1 91 . 0.211659 -8.46679 -3.77339 1 0 0 91 A
-ATOM 720 CD1 . LEU A 1 91 . 1.46482 -9.11873 -3.16007 1 0 0 91 A
-ATOM 721 CD2 . LEU A 1 91 . -0.835451 -9.5789 -3.96927 1 0 0 91 A
-ATOM 722 N . ALA A 1 92 . 0.610656 -4.64416 -4.33411 1 0 0 92 A
-ATOM 723 CA . ALA A 1 92 . 1.1358 -3.94314 -5.50151 1 0 0 92 A
-ATOM 724 C . ALA A 1 92 . 2.40533 -3.17171 -5.1396 1 0 0 92 A
-ATOM 725 O . ALA A 1 92 . 3.39342 -3.19084 -5.88045 1 0 0 92 A
-ATOM 726 CB . ALA A 1 92 . 0.0615879 -2.9998 -6.10041 1 0 0 92 A
-ATOM 727 N . LEU A 1 93 . 2.38543 -2.49702 -3.99524 1 0 0 93 A
-ATOM 728 CA . LEU A 1 93 . 3.55375 -1.74666 -3.54114 1 0 0 93 A
-ATOM 729 C . LEU A 1 93 . 4.72842 -2.68752 -3.28615 1 0 0 93 A
-ATOM 730 O . LEU A 1 93 . 5.87062 -2.38823 -3.63667 1 0 0 93 A
-ATOM 731 CB . LEU A 1 93 . 3.16673 -0.939932 -2.27548 1 0 0 93 A
-ATOM 732 CG . LEU A 1 93 . 4.10611 0.217461 -1.85063 1 0 0 93 A
-ATOM 733 CD1 . LEU A 1 93 . 3.99987 1.38978 -2.8436 1 0 0 93 A
-ATOM 734 CD2 . LEU A 1 93 . 3.77039 0.768191 -0.452204 1 0 0 93 A
-ATOM 735 N . LEU A 1 94 . 4.45139 -3.83339 -2.6726 1 0 0 94 A
-ATOM 736 CA . LEU A 1 94 . 5.4939 -4.82611 -2.43572 1 0 0 94 A
-ATOM 737 C . LEU A 1 94 . 6.10275 -5.29938 -3.75468 1 0 0 94 A
-ATOM 738 O . LEU A 1 94 . 7.31935 -5.46007 -3.8634 1 0 0 94 A
-ATOM 739 CB . LEU A 1 94 . 4.88637 -5.99595 -1.62032 1 0 0 94 A
-ATOM 740 CG . LEU A 1 94 . 4.62294 -5.75484 -0.112014 1 0 0 94 A
-ATOM 741 CD1 . LEU A 1 94 . 3.68455 -6.83836 0.451012 1 0 0 94 A
-ATOM 742 CD2 . LEU A 1 94 . 5.91468 -5.78539 0.725886 1 0 0 94 A
-ATOM 743 N . TYR A 1 95 . 5.25658 -5.52444 -4.755 1 0 0 95 A
-ATOM 744 CA . TYR A 1 95 . 5.74342 -5.95479 -6.06717 1 0 0 95 A
-ATOM 745 C . TYR A 1 95 . 6.65983 -4.89607 -6.67926 1 0 0 95 A
-ATOM 746 O . TYR A 1 95 . 7.71003 -5.22311 -7.23911 1 0 0 95 A
-ATOM 747 CB . TYR A 1 95 . 4.5228 -6.28277 -6.98156 1 0 0 95 A
-ATOM 748 CG . TYR A 1 95 . 4.91585 -6.98905 -8.25701 1 0 0 95 A
-ATOM 749 CD1 . TYR A 1 95 . 5.78382 -8.09967 -8.22151 1 0 0 95 A
-ATOM 750 CD2 . TYR A 1 95 . 4.48023 -6.50278 -9.50676 1 0 0 95 A
-ATOM 751 CE1 . TYR A 1 95 . 6.22184 -8.69479 -9.41061 1 0 0 95 A
-ATOM 752 CE2 . TYR A 1 95 . 4.922 -7.09686 -10.695 1 0 0 95 A
-ATOM 753 CZ . TYR A 1 95 . 5.79611 -8.1915 -10.6457 1 0 0 95 A
-ATOM 754 OH . TYR A 1 95 . 6.2681 -8.77785 -11.838 1 0 0 95 A
-ATOM 755 N . LEU A 1 96 . 6.26534 -3.63192 -6.5668 1 0 0 96 A
-ATOM 756 CA . LEU A 1 96 . 7.09768 -2.53845 -7.06782 1 0 0 96 A
-ATOM 757 C . LEU A 1 96 . 8.4518 -2.5411 -6.36186 1 0 0 96 A
-ATOM 758 O . LEU A 1 96 . 9.49172 -2.36551 -6.98453 1 0 0 96 A
-ATOM 759 CB . LEU A 1 96 . 6.3407 -1.19992 -6.87336 1 0 0 96 A
-ATOM 760 CG . LEU A 1 96 . 7.0072 0.0851525 -7.42732 1 0 0 96 A
-ATOM 761 CD1 . LEU A 1 96 . 7.0296 0.0597422 -8.96694 1 0 0 96 A
-ATOM 762 CD2 . LEU A 1 96 . 6.2671 1.36621 -6.99983 1 0 0 96 A
-ATOM 763 N . ALA A 1 97 . 8.42253 -2.73634 -5.04582 1 0 0 97 A
-ATOM 764 CA . ALA A 1 97 . 9.6583 -2.77067 -4.26521 1 0 0 97 A
-ATOM 765 C . ALA A 1 97 . 10.5876 -3.88401 -4.73203 1 0 0 97 A
-ATOM 766 O . ALA A 1 97 . 11.8028 -3.78554 -4.60929 1 0 0 97 A
-ATOM 767 CB . ALA A 1 97 . 9.3296 -2.91409 -2.75727 1 0 0 97 A
-ATOM 768 N . SER A 1 98 . 9.99853 -4.94726 -5.27468 1 0 0 98 A
-ATOM 769 CA . SER A 1 98 . 10.7719 -6.08388 -5.75658 1 0 0 98 A
-ATOM 770 C . SER A 1 98 . 11.3594 -5.90299 -7.14753 1 0 0 98 A
-ATOM 771 O . SER A 1 98 . 12.0213 -6.80159 -7.66568 1 0 0 98 A
-ATOM 772 CB . SER A 1 98 . 9.90166 -7.37566 -5.6698 1 0 0 98 A
-ATOM 773 OG . SER A 1 98 . 8.87905 -7.4133 -6.66867 1 0 0 98 A
-ATOM 774 N . HIS A 1 99 . 11.1221 -4.74678 -7.75798 1 0 0 99 A
-ATOM 775 CA . HIS A 1 99 . 11.6598 -4.47248 -9.08742 1 0 0 99 A
-ATOM 776 C . HIS A 1 99 . 13.1831 -4.50725 -9.06462 1 0 0 99 A
-ATOM 777 O . HIS A 1 99 . 13.8068 -4.25662 -8.03816 1 0 0 99 A
-ATOM 778 CB . HIS A 1 99 . 11.1688 -3.09537 -9.60225 1 0 0 99 A
-ATOM 779 CG . HIS A 1 99 . 11.3807 -2.88113 -11.0717 1 0 0 99 A
-ATOM 780 ND1 . HIS A 1 99 . 12.5332 -2.35476 -11.6185 1 0 0 99 A
-ATOM 781 CD2 . HIS A 1 99 . 10.4968 -2.98822 -12.0997 1 0 0 99 A
-ATOM 782 CE1 . HIS A 1 99 . 12.2989 -2.17341 -12.9356 1 0 0 99 A
-ATOM 783 NE2 . HIS A 1 99 . 11.0719 -2.52949 -13.2673 1 0 0 99 A
-ATOM 784 N . PRO A 1 100 . 13.7838 -4.8175 -10.2094 1 0 0 100 A
-ATOM 785 CA . PRO A 1 100 . 15.2301 -4.962 -10.2921 1 0 0 100 A
-ATOM 786 C . PRO A 1 100 . 15.985 -3.63231 -10.1834 1 0 0 100 A
-ATOM 787 O . PRO A 1 100 . 17.1921 -3.61883 -9.97959 1 0 0 100 A
-ATOM 788 CB . PRO A 1 100 . 15.3893 -5.59603 -11.6865 1 0 0 100 A
-ATOM 789 CG . PRO A 1 100 . 14.1064 -5.21325 -12.427 1 0 0 100 A
-ATOM 790 CD . PRO A 1 100 . 13.0289 -5.33978 -11.3481 1 0 0 100 A
-ATOM 791 N . ASN A 1 101 . 15.2767 -2.52543 -10.374 1 0 0 101 A
-ATOM 792 CA . ASN A 1 101 . 15.8922 -1.21638 -10.1837 1 0 0 101 A
-ATOM 793 C . ASN A 1 101 . 16.1155 -0.929612 -8.69876 1 0 0 101 A
-ATOM 794 O . ASN A 1 101 . 15.1478 -0.819314 -7.93015 1 0 0 101 A
-ATOM 795 CB . ASN A 1 101 . 14.9837 -0.156667 -10.8803 1 0 0 101 A
-ATOM 796 CG . ASN A 1 101 . 15.5271 1.27253 -10.8247 1 0 0 101 A
-ATOM 797 OD1 . ASN A 1 101 . 15.5245 1.94203 -9.79286 1 0 0 101 A
-ATOM 798 ND2 . ASN A 1 101 . 16.0006 1.77457 -11.985 1 0 0 101 A
-ATOM 799 N . GLU A 1 102 . 17.3831 -0.78548 -8.30781 1 0 0 102 A
-ATOM 800 CA . GLU A 1 102 . 17.7235 -0.609317 -6.89459 1 0 0 102 A
-ATOM 801 C . GLU A 1 102 . 17.0302 0.608243 -6.26667 1 0 0 102 A
-ATOM 802 O . GLU A 1 102 . 16.5425 0.529569 -5.14696 1 0 0 102 A
-ATOM 803 CB . GLU A 1 102 . 19.2663 -0.513354 -6.7793 1 0 0 102 A
-ATOM 804 CG . GLU A 1 102 . 19.8283 -0.365194 -5.33162 1 0 0 102 A
-ATOM 805 CD . GLU A 1 102 . 21.3524 -0.404175 -5.2036 1 0 0 102 A
-ATOM 806 OE1 . GLU A 1 102 . 21.9793 -0.373831 -6.29616 1 0 0 102 A
-ATOM 807 OE2 . GLU A 1 102 . 21.8847 -0.478689 -4.07503 1 0 0 102 A
-ATOM 808 N . LYS A 1 103 . 17.0089 1.73068 -6.98067 1 0 0 103 A
-ATOM 809 CA . LYS A 1 103 . 16.3844 2.9483 -6.4462 1 0 0 103 A
-ATOM 810 C . LYS A 1 103 . 14.8988 2.70257 -6.15261 1 0 0 103 A
-ATOM 811 O . LYS A 1 103 . 14.3847 3.09809 -5.09912 1 0 0 103 A
-ATOM 812 CB . LYS A 1 103 . 16.5778 4.12587 -7.45095 1 0 0 103 A
-ATOM 813 CG . LYS A 1 103 . 18.0225 4.63201 -7.61879 1 0 0 103 A
-ATOM 814 CD . LYS A 1 103 . 18.1542 5.76491 -8.65359 1 0 0 103 A
-ATOM 815 CE . LYS A 1 103 . 19.5817 6.30829 -8.74217 1 0 0 103 A
-ATOM 816 NZ . LYS A 1 103 . 19.6696 7.34782 -9.76356 1 0 0 103 A
-ATOM 817 N . ILE A 1 104 . 14.2225 2.07004 -7.09333 1 0 0 104 A
-ATOM 818 CA . ILE A 1 104 . 12.7938 1.7737 -6.92226 1 0 0 104 A
-ATOM 819 C . ILE A 1 104 . 12.5873 0.77066 -5.78987 1 0 0 104 A
-ATOM 820 O . ILE A 1 104 . 11.6663 0.91524 -4.97549 1 0 0 104 A
-ATOM 821 CB . ILE A 1 104 . 12.1667 1.29963 -8.28127 1 0 0 104 A
-ATOM 822 CG1 . ILE A 1 104 . 12.1981 2.38143 -9.39088 1 0 0 104 A
-ATOM 823 CG2 . ILE A 1 104 . 10.765 0.654344 -8.13567 1 0 0 104 A
-ATOM 824 CD1 . ILE A 1 104 . 11.6292 1.91196 -10.7428 1 0 0 104 A
-ATOM 825 N . ARG A 1 105 . 13.4373 -0.242664 -5.72553 1 0 0 105 A
-ATOM 826 CA . ARG A 1 105 . 13.3384 -1.2396 -4.66618 1 0 0 105 A
-ATOM 827 C . ARG A 1 105 . 13.4829 -0.583698 -3.29513 1 0 0 105 A
-ATOM 828 O . ARG A 1 105 . 12.7279 -0.868675 -2.37081 1 0 0 105 A
-ATOM 829 CB . ARG A 1 105 . 14.3854 -2.37376 -4.892 1 0 0 105 A
-ATOM 830 CG . ARG A 1 105 . 14.5383 -3.39553 -3.73654 1 0 0 105 A
-ATOM 831 CD . ARG A 1 105 . 15.5106 -4.54929 -4.04494 1 0 0 105 A
-ATOM 832 NE . ARG A 1 105 . 14.9245 -5.32655 -5.18615 1 0 0 105 A
-ATOM 833 CZ . ARG A 1 105 . 15.571 -6.32968 -5.79554 1 0 0 105 A
-ATOM 834 NH1 . ARG A 1 105 . 16.7884 -6.64413 -5.36203 1 0 0 105 A
-ATOM 835 NH2 . ARG A 1 105 . 15.0235 -7.02434 -6.78878 1 0 0 105 A
-ATOM 836 N . LYS A 1 106 . 14.4804 0.291531 -3.16073 1 0 0 106 A
-ATOM 837 CA . LYS A 1 106 . 14.7079 0.976533 -1.89143 1 0 0 106 A
-ATOM 838 C . LYS A 1 106 . 13.5299 1.84726 -1.50002 1 0 0 106 A
-ATOM 839 O . LYS A 1 106 . 13.1168 1.85241 -0.34076 1 0 0 106 A
-ATOM 840 CB . LYS A 1 106 . 16.022 1.811 -1.99384 1 0 0 106 A
-ATOM 841 CG . LYS A 1 106 . 17.3301 0.998778 -2.02261 1 0 0 106 A
-ATOM 842 CD . LYS A 1 106 . 18.5935 1.87926 -2.01504 1 0 0 106 A
-ATOM 843 CE . LYS A 1 106 . 19.8779 1.05227 -1.92918 1 0 0 106 A
-ATOM 844 NZ . LYS A 1 106 . 21.0473 1.92615 -1.91145 1 0 0 106 A
-ATOM 845 N . ALA A 1 107 . 12.9729 2.58244 -2.4647 1 0 0 107 A
-ATOM 846 CA . ALA A 1 107 . 11.8102 3.41353 -2.20389 1 0 0 107 A
-ATOM 847 C . ALA A 1 107 . 10.6259 2.57495 -1.73699 1 0 0 107 A
-ATOM 848 O . ALA A 1 107 . 9.92819 2.94129 -0.784476 1 0 0 107 A
-ATOM 849 CB . ALA A 1 107 . 11.4467 4.23893 -3.46449 1 0 0 107 A
-ATOM 850 N . LEU A 1 108 . 10.3902 1.45493 -2.42097 1 0 0 108 A
-ATOM 851 CA . LEU A 1 108 . 9.30784 0.557002 -2.05479 1 0 0 108 A
-ATOM 852 C . LEU A 1 108 . 9.48727 -0.00464849 -0.656686 1 0 0 108 A
-ATOM 853 O . LEU A 1 108 . 8.5345 -0.0910547 0.121814 1 0 0 108 A
-ATOM 854 CB . LEU A 1 108 . 9.22861 -0.559799 -3.1267 1 0 0 108 A
-ATOM 855 CG . LEU A 1 108 . 8.26058 -0.340474 -4.3172 1 0 0 108 A
-ATOM 856 CD1 . LEU A 1 108 . 6.79888 -0.353468 -3.83257 1 0 0 108 A
-ATOM 857 CD2 . LEU A 1 108 . 8.49601 1.0039 -5.03052 1 0 0 108 A
-ATOM 858 N . PHE A 1 109 . 10.7135 -0.403498 -0.333304 1 0 0 109 A
-ATOM 859 CA . PHE A 1 109 . 10.9986 -0.928232 0.995157 1 0 0 109 A
-ATOM 860 C . PHE A 1 109 . 10.7667 0.113542 2.07781 1 0 0 109 A
-ATOM 861 O . PHE A 1 109 . 10.1748 -0.178991 3.11532 1 0 0 109 A
-ATOM 862 CB . PHE A 1 109 . 12.4557 -1.48526 1.0068 1 0 0 109 A
-ATOM 863 CG . PHE A 1 109 . 12.8681 -2.01424 2.35965 1 0 0 109 A
-ATOM 864 CD1 . PHE A 1 109 . 12.1739 -3.09362 2.94371 1 0 0 109 A
-ATOM 865 CD2 . PHE A 1 109 . 13.9221 -1.41343 3.0782 1 0 0 109 A
-ATOM 866 CE1 . PHE A 1 109 . 12.5153 -3.55379 4.22108 1 0 0 109 A
-ATOM 867 CE2 . PHE A 1 109 . 14.2638 -1.86899 4.35713 1 0 0 109 A
-ATOM 868 CZ . PHE A 1 109 . 13.5568 -2.94174 4.92879 1 0 0 109 A
-ATOM 869 N . GLU A 1 110 . 11.2178 1.33922 1.83078 1 0 0 110 A
-ATOM 870 CA . GLU A 1 110 . 11.0014 2.43256 2.77773 1 0 0 110 A
-ATOM 871 C . GLU A 1 110 . 9.51924 2.6504 3.00809 1 0 0 110 A
-ATOM 872 O . GLU A 1 110 . 9.06099 2.79047 4.14359 1 0 0 110 A
-ATOM 873 CB . GLU A 1 110 . 11.6935 3.71383 2.24686 1 0 0 110 A
-ATOM 874 CG . GLU A 1 110 . 13.2391 3.78016 2.44755 1 0 0 110 A
-ATOM 875 CD . GLU A 1 110 . 13.9076 5.09124 2.0291 1 0 0 110 A
-ATOM 876 OE1 . GLU A 1 110 . 13.2643 6.13411 2.32266 1 0 0 110 A
-ATOM 877 OE2 . GLU A 1 110 . 15.0028 5.07176 1.42691 1 0 0 110 A
-ATOM 878 N . ALA A 1 111 . 8.75528 2.67538 1.92759 1 0 0 111 A
-ATOM 879 CA . ALA A 1 111 . 7.30845 2.87178 2.02164 1 0 0 111 A
-ATOM 880 C . ALA A 1 111 . 6.66686 1.75463 2.83828 1 0 0 111 A
-ATOM 881 O . ALA A 1 111 . 5.82253 2.01007 3.70419 1 0 0 111 A
-ATOM 882 CB . ALA A 1 111 . 6.67743 2.96295 0.60884 1 0 0 111 A
-ATOM 883 N . VAL A 1 112 . 7.05874 0.518622 2.56345 1 0 0 112 A
-ATOM 884 CA . VAL A 1 112 . 6.49567 -0.624089 3.2791 1 0 0 112 A
-ATOM 885 C . VAL A 1 112 . 6.82472 -0.538512 4.77414 1 0 0 112 A
-ATOM 886 O . VAL A 1 112 . 5.96343 -0.777529 5.62029 1 0 0 112 A
-ATOM 887 CB . VAL A 1 112 . 7.01805 -1.96807 2.65803 1 0 0 112 A
-ATOM 888 CG1 . VAL A 1 112 . 6.69867 -3.21425 3.50458 1 0 0 112 A
-ATOM 889 CG2 . VAL A 1 112 . 6.48709 -2.19345 1.23013 1 0 0 112 A
-ATOM 890 N . MET A 1 113 . 8.06846 -0.197559 5.0878 1 0 0 113 A
-ATOM 891 CA . MET A 1 113 . 8.48212 -0.0743064 6.49168 1 0 0 113 A
-ATOM 892 C . MET A 1 113 . 7.65782 1.00775 7.19083 1 0 0 113 A
-ATOM 893 O . MET A 1 113 . 7.19397 0.807623 8.32012 1 0 0 113 A
-ATOM 894 CB . MET A 1 113 . 10.0011 0.228746 6.54994 1 0 0 113 A
-ATOM 895 CG . MET A 1 113 . 10.9415 -0.952167 6.19853 1 0 0 113 A
-ATOM 896 SD . MET A 1 113 . 10.7923 -2.26994 7.44496 1 0 0 113 A
-ATOM 897 CE . MET A 1 113 . 11.3569 -1.3428 8.90577 1 0 0 113 A
-ATOM 898 N . GLU A 1 114 . 7.4892 2.1493 6.54049 1 0 0 114 A
-ATOM 899 CA . GLU A 1 114 . 6.72221 3.24501 7.12239 1 0 0 114 A
-ATOM 900 C . GLU A 1 114 . 5.27888 2.82203 7.37576 1 0 0 114 A
-ATOM 901 O . GLU A 1 114 . 4.69646 3.18307 8.40782 1 0 0 114 A
-ATOM 902 CB . GLU A 1 114 . 6.80263 4.47548 6.18325 1 0 0 114 A
-ATOM 903 CG . GLU A 1 114 . 8.22052 5.10254 6.01011 1 0 0 114 A
-ATOM 904 CD . GLU A 1 114 . 8.77991 5.8284 7.23531 1 0 0 114 A
-ATOM 905 OE1 . GLU A 1 114 . 7.93452 6.08601 8.13339 1 0 0 114 A
-ATOM 906 OE2 . GLU A 1 114 . 9.9906 6.13579 7.28281 1 0 0 114 A
-ATOM 907 N . LEU A 1 115 . 4.70524 2.06751 6.44895 1 0 0 115 A
-ATOM 908 CA . LEU A 1 115 . 3.33143 1.60934 6.60193 1 0 0 115 A
-ATOM 909 C . LEU A 1 115 . 3.22638 0.632115 7.77898 1 0 0 115 A
-ATOM 910 O . LEU A 1 115 . 2.28952 0.696464 8.57273 1 0 0 115 A
-ATOM 911 CB . LEU A 1 115 . 2.86333 0.970614 5.26948 1 0 0 115 A
-ATOM 912 CG . LEU A 1 115 . 2.74387 1.89975 4.0346 1 0 0 115 A
-ATOM 913 CD1 . LEU A 1 115 . 2.75082 1.07285 2.73545 1 0 0 115 A
-ATOM 914 CD2 . LEU A 1 115 . 1.44725 2.7306 4.04327 1 0 0 115 A
-ATOM 915 N . LEU A 1 116 . 4.19338 -0.27758 7.85636 1 0 0 116 A
-ATOM 916 CA . LEU A 1 116 . 4.21229 -1.24023 8.95185 1 0 0 116 A
-ATOM 917 C . LEU A 1 116 . 4.31694 -0.504874 10.3013 1 0 0 116 A
-ATOM 918 O . LEU A 1 116 . 3.62543 -0.848408 11.2514 1 0 0 116 A
-ATOM 919 CB . LEU A 1 116 . 5.38549 -2.22943 8.7337 1 0 0 116 A
-ATOM 920 CG . LEU A 1 116 . 5.51897 -3.41048 9.72859 1 0 0 116 A
-ATOM 921 CD1 . LEU A 1 116 . 4.26402 -4.30165 9.6785 1 0 0 116 A
-ATOM 922 CD2 . LEU A 1 116 . 6.73213 -4.30792 9.42132 1 0 0 116 A
-ATOM 923 N . ARG A 1 117 . 5.1911 0.48627 10.3656 1 0 0 117 A
-ATOM 924 CA . ARG A 1 117 . 5.36561 1.23771 11.6137 1 0 0 117 A
-ATOM 925 C . ARG A 1 117 . 4.09053 1.99699 11.989 1 0 0 117 A
-ATOM 926 O . ARG A 1 117 . 3.72881 2.06456 13.1519 1 0 0 117 A
-ATOM 927 CB . ARG A 1 117 . 6.60229 2.18131 11.496 1 0 0 117 A
-ATOM 928 CG . ARG A 1 117 . 6.92812 3.03204 12.75 1 0 0 117 A
-ATOM 929 CD . ARG A 1 117 . 8.20709 3.87951 12.6173 1 0 0 117 A
-ATOM 930 NE . ARG A 1 117 . 9.35033 2.92623 12.4322 1 0 0 117 A
-ATOM 931 CZ . ARG A 1 117 . 9.99692 2.77775 11.268 1 0 0 117 A
-ATOM 932 NH1 . ARG A 1 117 . 9.60008 3.51369 10.2337 1 0 0 117 A
-ATOM 933 NH2 . ARG A 1 117 . 11.0258 1.94611 11.1311 1 0 0 117 A
-ATOM 934 N . GLU A 1 118 . 3.4027 2.53128 10.9788 1 0 0 118 A
-ATOM 935 CA . GLU A 1 118 . 2.18031 3.29292 11.2523 1 0 0 118 A
-ATOM 936 C . GLU A 1 118 . 1.09168 2.38567 11.8103 1 0 0 118 A
-ATOM 937 O . GLU A 1 118 . 0.305298 2.75883 12.6627 1 0 0 118 A
-ATOM 938 CB . GLU A 1 118 . 1.72364 4.00435 9.95317 1 0 0 118 A
-ATOM 939 CG . GLU A 1 118 . 0.561745 5.03223 10.1176 1 0 0 118 A
-ATOM 940 CD . GLU A 1 118 . 0.211011 5.84366 8.86884 1 0 0 118 A
-ATOM 941 OE1 . GLU A 1 118 . 0.868257 5.54302 7.83674 1 0 0 118 A
-ATOM 942 OE2 . GLU A 1 118 . -0.65879 6.73948 8.92762 1 0 0 118 A
-ATOM 943 N . ARG A 1 119 . 1.03277 1.15278 11.3009 1 0 0 119 A
-ATOM 944 CA . ARG A 1 119 . 0.0279635 0.192436 11.7545 1 0 0 119 A
-ATOM 945 C . ARG A 1 119 . 0.419922 -0.40085 13.1104 1 0 0 119 A
-ATOM 946 O . ARG A 1 119 . -0.420354 -0.536496 14.0055 1 0 0 119 A
-ATOM 947 CB . ARG A 1 119 . -0.19526 -0.907109 10.6706 1 0 0 119 A
-ATOM 948 CG . ARG A 1 119 . -0.705772 -0.409176 9.29439 1 0 0 119 A
-ATOM 949 CD . ARG A 1 119 . -0.835815 -1.51945 8.23516 1 0 0 119 A
-ATOM 950 NE . ARG A 1 119 . -1.30137 -0.866831 6.96736 1 0 0 119 A
-ATOM 951 CZ . ARG A 1 119 . -1.62566 -1.5579 5.86606 1 0 0 119 A
-ATOM 952 NH1 . ARG A 1 119 . -1.52727 -2.88361 5.90775 1 0 0 119 A
-ATOM 953 NH2 . ARG A 1 119 . -2.0618 -0.962225 4.75979 1 0 0 119 A
-ATOM 954 N . ASP A 1 120 . 1.68868 -0.763958 13.2466 1 0 0 120 A
-ATOM 955 CA . ASP A 1 120 . 2.18252 -1.34049 14.5005 1 0 0 120 A
-ATOM 956 C . ASP A 1 120 . 3.54203 -0.735259 14.8293 1 0 0 120 A
-ATOM 957 O . ASP A 1 120 . 4.57882 -1.29289 14.4738 1 0 0 120 A
-ATOM 958 CB . ASP A 1 120 . 2.19036 -2.89566 14.3781 1 0 0 120 A
-ATOM 959 CG . ASP A 1 120 . 2.413 -3.58559 15.7141 1 0 0 120 A
-ATOM 960 OD1 . ASP A 1 120 . 2.94753 -2.92057 16.6413 1 0 0 120 A
-ATOM 961 OD2 . ASP A 1 120 . 2.22871 -4.82076 15.768 1 0 0 120 A
-ATOM 962 N . PRO A 1 121 . 3.537 0.432292 15.4897 1 0 0 121 A
-ATOM 963 CA . PRO A 1 121 . 4.7974 1.14035 15.7411 1 0 0 121 A
-ATOM 964 C . PRO A 1 121 . 5.79011 0.320743 16.5376 1 0 0 121 A
-ATOM 965 O . PRO A 1 121 . 6.99165 0.349672 16.2712 1 0 0 121 A
-ATOM 966 CB . PRO A 1 121 . 4.30665 2.36758 16.5314 1 0 0 121 A
-ATOM 967 CG . PRO A 1 121 . 2.88232 2.60183 16.0242 1 0 0 121 A
-ATOM 968 CD . PRO A 1 121 . 2.34111 1.18341 15.8343 1 0 0 121 A
-ATOM 969 N . ALA A 1 122 . 5.30245 -0.408269 17.554 1 0 0 122 A
-ATOM 970 CA . ALA A 1 122 . 6.18682 -1.24038 18.3704 1 0 0 122 A
-ATOM 971 C . ALA A 1 122 . 6.882 -2.30537 17.5421 1 0 0 122 A
-ATOM 972 O . ALA A 1 122 . 8.08198 -2.52787 17.6584 1 0 0 122 A
-ATOM 973 CB . ALA A 1 122 . 5.3876 -1.87471 19.5372 1 0 0 122 A
-ATOM 974 N . LEU A 1 123 . 6.10345 -2.97337 16.6943 1 0 0 123 A
-ATOM 975 CA . LEU A 1 123 . 6.64804 -3.99872 15.8002 1 0 0 123 A
-ATOM 976 C . LEU A 1 123 . 7.67285 -3.38899 14.8447 1 0 0 123 A
-ATOM 977 O . LEU A 1 123 . 8.7641 -3.92913 14.6736 1 0 0 123 A
-ATOM 978 CB . LEU A 1 123 . 5.47514 -4.67397 15.0446 1 0 0 123 A
-ATOM 979 CG . LEU A 1 123 . 5.83327 -5.66041 13.9039 1 0 0 123 A
-ATOM 980 CD1 . LEU A 1 123 . 6.64092 -6.85046 14.4545 1 0 0 123 A
-ATOM 981 CD2 . LEU A 1 123 . 4.58642 -6.23503 13.2062 1 0 0 123 A
-ATOM 982 N . ALA A 1 124 . 7.30818 -2.26558 14.2394 1 0 0 124 A
-ATOM 983 CA . ALA A 1 124 . 8.18748 -1.60003 13.2881 1 0 0 124 A
-ATOM 984 C . ALA A 1 124 . 9.50735 -1.20312 13.9353 1 0 0 124 A
-ATOM 985 O . ALA A 1 124 . 10.5721 -1.3689 13.3582 1 0 0 124 A
-ATOM 986 CB . ALA A 1 124 . 7.47513 -0.368342 12.6733 1 0 0 124 A
-ATOM 987 N . ASP A 1 125 . 9.43598 -0.655768 15.1429 1 0 0 125 A
-ATOM 988 CA . ASP A 1 125 . 10.6497 -0.226228 15.8279 1 0 0 125 A
-ATOM 989 C . ASP A 1 125 . 11.5544 -1.42832 16.1374 1 0 0 125 A
-ATOM 990 O . ASP A 1 125 . 12.764 -1.35163 15.944 1 0 0 125 A
-ATOM 991 CB . ASP A 1 125 . 10.2331 0.597819 17.0852 1 0 0 125 A
-ATOM 992 CG . ASP A 1 125 . 9.80877 2.01596 16.7399 1 0 0 125 A
-ATOM 993 OD1 . ASP A 1 125 . 10.077 2.44946 15.5877 1 0 0 125 A
-ATOM 994 OD2 . ASP A 1 125 . 9.38665 2.73854 17.6685 1 0 0 125 A
-ATOM 995 N . GLN A 1 126 . 10.9568 -2.53481 16.537 1 0 0 126 A
-ATOM 996 CA . GLN A 1 126 . 11.7429 -3.72719 16.8653 1 0 0 126 A
-ATOM 997 C . GLN A 1 126 . 12.4104 -4.29885 15.6863 1 0 0 126 A
-ATOM 998 O . GLN A 1 126 . 13.5787 -4.71156 15.6796 1 0 0 126 A
-ATOM 999 CB . GLN A 1 126 . 10.805 -4.75569 17.5471 1 0 0 126 A
-ATOM 1000 CG . GLN A 1 126 . 10.4548 -4.46096 19.028 1 0 0 126 A
-ATOM 1001 CD . GLN A 1 126 . 9.37626 -5.39957 19.5726 1 0 0 126 A
-ATOM 1002 OE1 . GLN A 1 126 . 9.14536 -6.48739 19.0471 1 0 0 126 A
-ATOM 1003 NE2 . GLN A 1 126 . 8.69721 -4.98092 20.6617 1 0 0 126 A
-ATOM 1004 N . LEU A 1 127 . 11.6917 -4.32097 14.5408 1 0 0 127 A
-ATOM 1005 CA . LEU A 1 127 . 12.2436 -4.82757 13.3043 1 0 0 127 A
-ATOM 1006 C . LEU A 1 127 . 13.3898 -3.94755 12.82 1 0 0 127 A
-ATOM 1007 O . LEU A 1 127 . 14.4253 -4.44676 12.3906 1 0 0 127 A
-ATOM 1008 CB . LEU A 1 127 . 11.103 -4.92778 12.2595 1 0 0 127 A
-ATOM 1009 CG . LEU A 1 127 . 9.93897 -5.905 12.5637 1 0 0 127 A
-ATOM 1010 CD1 . LEU A 1 127 . 8.85794 -5.81205 11.4708 1 0 0 127 A
-ATOM 1011 CD2 . LEU A 1 127 . 10.401 -7.37259 12.629 1 0 0 127 A
-ATOM 1012 N . GLU A 1 128 . 13.2197 -2.63402 12.9042 1 0 0 128 A
-ATOM 1013 CA . GLU A 1 128 . 14.2631 -1.69834 12.5227 1 0 0 128 A
-ATOM 1014 C . GLU A 1 128 . 15.5242 -1.89942 13.3697 1 0 0 128 A
-ATOM 1015 O . GLU A 1 128 . 16.6382 -1.92963 12.8403 1 0 0 128 A
-ATOM 1016 CB . GLU A 1 128 . 13.7131 -0.254568 12.6471 1 0 0 128 A
-ATOM 1017 CG . GLU A 1 128 . 14.651 0.874346 12.1186 1 0 0 128 A
-ATOM 1018 CD . GLU A 1 128 . 14.0769 2.29173 12.1667 1 0 0 128 A
-ATOM 1019 OE1 . GLU A 1 128 . 12.9213 2.38146 12.6607 1 0 0 128 A
-ATOM 1020 OE2 . GLU A 1 128 . 14.7403 3.25192 11.7189 1 0 0 128 A
-ATOM 1021 N . GLU A 1 129 . 15.3316 -2.01844 14.6695 1 0 0 129 A
-ATOM 1022 CA . GLU A 1 129 . 16.4472 -2.23354 15.5862 1 0 0 129 A
-ATOM 1023 C . GLU A 1 129 . 17.1811 -3.51138 15.1768 1 0 0 129 A
-ATOM 1024 O . GLU A 1 129 . 18.4076 -3.54111 15.1391 1 0 0 129 A
-ATOM 1025 CB . GLU A 1 129 . 15.9337 -2.31017 17.0467 1 0 0 129 A
-ATOM 1026 CG . GLU A 1 129 . 15.4091 -0.970721 17.6503 1 0 0 129 A
-ATOM 1027 CD . GLU A 1 129 . 14.7225 -1.08017 19.0132 1 0 0 129 A
-ATOM 1028 OE1 . GLU A 1 129 . 14.7638 -2.22415 19.5397 1 0 0 129 A
-ATOM 1029 OE2 . GLU A 1 129 . 14.1614 -0.0817623 19.514 1 0 0 129 A
-ATOM 1030 N . LYS A 1 130 . 16.4223 -4.57751 14.9454 1 0 0 130 A
-ATOM 1031 CA . LYS A 1 130 . 17.0075 -5.85107 14.5532 1 0 0 130 A
-ATOM 1032 C . LYS A 1 130 . 17.7827 -5.71063 13.248 1 0 0 130 A
-ATOM 1033 O . LYS A 1 130 . 18.9033 -6.21054 13.0957 1 0 0 130 A
-ATOM 1034 CB . LYS A 1 130 . 15.885 -6.92791 14.4343 1 0 0 130 A
-ATOM 1035 CG . LYS A 1 130 . 16.345 -8.32747 13.9857 1 0 0 130 A
-ATOM 1036 CD . LYS A 1 130 . 15.1806 -9.31406 13.7802 1 0 0 130 A
-ATOM 1037 CE . LYS A 1 130 . 15.6429 -10.6411 13.175 1 0 0 130 A
-ATOM 1038 NZ . LYS A 1 130 . 14.4932 -11.4635 12.8099 1 0 0 130 A
-ATOM 1039 N . ILE A 1 131 . 17.1786 -5.01597 12.2858 1 0 0 131 A
-ATOM 1040 CA . ILE A 1 131 . 17.7941 -4.82533 10.9696 1 0 0 131 A
-ATOM 1041 C . ILE A 1 131 . 19.0955 -4.03702 11.0795 1 0 0 131 A
-ATOM 1042 O . ILE A 1 131 . 20.0962 -4.36145 10.4739 1 0 0 131 A
-ATOM 1043 CB . ILE A 1 131 . 16.763 -4.16952 9.98388 1 0 0 131 A
-ATOM 1044 CG1 . ILE A 1 131 . 15.6938 -5.15896 9.45448 1 0 0 131 A
-ATOM 1045 CG2 . ILE A 1 131 . 17.418 -3.35251 8.84106 1 0 0 131 A
-ATOM 1046 CD1 . ILE A 1 131 . 14.5203 -4.48315 8.72117 1 0 0 131 A
-ATOM 1047 N . LYS A 1 132 . 19.0785 -2.98933 11.8958 1 0 0 132 A
-ATOM 1048 CA . LYS A 1 132 . 20.2567 -2.15664 12.0715 1 0 0 132 A
-ATOM 1049 C . LYS A 1 132 . 21.4503 -2.93716 12.722 1 0 0 132 A
-ATOM 1050 O . LYS A 1 132 . 22.5809 -2.84015 12.3023 1 0 0 132 A
-ATOM 1051 CB . LYS A 1 132 . 19.8635 -0.908775 12.9211 1 0 0 132 A
-ATOM 1052 CG . LYS A 1 132 . 20.9928 0.104667 13.1841 1 0 0 132 A
-ATOM 1053 CD . LYS A 1 132 . 20.5193 1.36158 13.9375 1 0 0 132 A
-ATOM 1054 CE . LYS A 1 132 . 21.6778 2.29306 14.2998 1 0 0 132 A
-ATOM 1055 NZ . LYS A 1 132 . 21.181 3.48292 14.9846 1 0 0 132 A
-ATOM 1056 N . GLN A 1 133 . 21.1206 -3.70436 13.7041 1 0 0 133 A
-ATOM 1057 CA . GLN A 1 133 . 22.0423 -4.51548 14.4266 1 0 0 133 A
-ATOM 1058 C . GLN A 1 133 . 22.6556 -5.5888 13.5034 1 0 0 133 A
-ATOM 1059 O . GLN A 1 133 . 23.808 -5.8411 13.515 1 0 0 133 A
-ATOM 1060 CB . GLN A 1 133 . 21.3223 -5.15048 15.6435 1 0 0 133 A
-ATOM 1061 CG . GLN A 1 133 . 22.1866 -6.10295 16.5085 1 0 0 133 A
-ATOM 1062 CD . GLN A 1 133 . 21.4441 -6.60286 17.7493 1 0 0 133 A
-ATOM 1063 OE1 . GLN A 1 133 . 20.4073 -6.0669 18.1377 1 0 0 133 A
-ATOM 1064 NE2 . GLN A 1 133 . 21.9758 -7.66471 18.3913 1 0 0 133 A
-ATOM 1065 N . SER A 1 134 . 21.8043 -6.20743 12.7223 1 0 0 134 A
-ATOM 1066 CA . SER A 1 134 . 22.2287 -7.27572 11.8253 1 0 0 134 A
-ATOM 1067 C . SER A 1 134 . 22.9187 -6.72702 10.582 1 0 0 134 A
-ATOM 1068 O . SER A 1 134 . 23.5873 -7.46272 9.86081 1 0 0 134 A
-ATOM 1069 CB . SER A 1 134 . 21.029 -8.19942 11.4497 1 0 0 134 A
-ATOM 1070 OG . SER A 1 134 . 20.4689 -8.85754 12.589 1 0 0 134 A
-ATOM 1071 N . GLY A 1 135 . 22.6771 -5.44772 10.2856 1 0 0 135 A
-ATOM 1072 CA . GLY A 1 135 . 23.307 -4.8351 9.09045 1 0 0 135 A
-ATOM 1073 C . GLY A 1 135 . 22.8948 -5.6262 7.84354 1 0 0 135 A
-ATOM 1074 O . GLY A 1 135 . 23.7364 -5.87198 6.97724 1 0 0 135 A
-ATOM 1075 N . ASN A 1 136 . 21.6536 -6.03847 7.78624 1 0 0 136 A
-ATOM 1076 CA . ASN A 1 136 . 21.1833 -6.82015 6.65406 1 0 0 136 A
-ATOM 1077 C . ASN A 1 136 . 19.9271 -6.17194 6.01697 1 0 0 136 A
-ATOM 1078 O . ASN A 1 136 . 18.9997 -6.8453 5.62072 1 0 0 136 A
-ATOM 1079 CB . ASN A 1 136 . 20.9324 -8.27686 7.15267 1 0 0 136 A
-ATOM 1080 CG . ASN A 1 136 . 19.7606 -8.41591 8.12656 1 0 0 136 A
-ATOM 1081 OD1 . ASN A 1 136 . 19.1223 -7.44781 8.53674 1 0 0 136 A
-ATOM 1082 ND2 . ASN A 1 136 . 19.4692 -9.67033 8.53155 1 0 0 136 A
-ATOM 1083 N . GLU A 1 137 . 19.9729 -4.84927 5.91069 1 0 0 137 A
-ATOM 1084 CA . GLU A 1 137 . 18.8735 -4.11036 5.29265 1 0 0 137 A
-ATOM 1085 C . GLU A 1 137 . 18.6208 -4.60324 3.8676 1 0 0 137 A
-ATOM 1086 O . GLU A 1 137 . 17.4646 -4.82373 3.47102 1 0 0 137 A
-ATOM 1087 CB . GLU A 1 137 . 19.1983 -2.59514 5.32614 1 0 0 137 A
-ATOM 1088 CG . GLU A 1 137 . 18.095 -1.65417 4.75078 1 0 0 137 A
-ATOM 1089 CD . GLU A 1 137 . 18.3907 -0.155328 4.83414 1 0 0 137 A
-ATOM 1090 OE1 . GLU A 1 137 . 19.4753 0.142483 5.40217 1 0 0 137 A
-ATOM 1091 OE2 . GLU A 1 137 . 17.5741 0.670972 4.37274 1 0 0 137 A
-ATOM 1092 N . GLU A 1 138 . 19.6828 -4.77804 3.0977 1 0 0 138 A
-ATOM 1093 CA . GLU A 1 138 . 19.5415 -5.2335 1.71707 1 0 0 138 A
-ATOM 1094 C . GLU A 1 138 . 18.9047 -6.61933 1.65636 1 0 0 138 A
-ATOM 1095 O . GLU A 1 138 . 18.0356 -6.88788 0.808084 1 0 0 138 A
-ATOM 1096 CB . GLU A 1 138 . 20.9336 -5.21184 1.03571 1 0 0 138 A
-ATOM 1097 CG . GLU A 1 138 . 21.5683 -3.80046 0.838941 1 0 0 138 A
-ATOM 1098 CD . GLU A 1 138 . 20.8608 -2.88806 -0.164955 1 0 0 138 A
-ATOM 1099 OE1 . GLU A 1 138 . 20.0091 -3.46041 -0.896124 1 0 0 138 A
-ATOM 1100 OE2 . GLU A 1 138 . 21.1566 -1.67509 -0.22586 1 0 0 138 A
-ATOM 1101 N . GLU A 1 139 . 19.3179 -7.49617 2.56502 1 0 0 139 A
-ATOM 1102 CA . GLU A 1 139 . 18.7399 -8.83866 2.61407 1 0 0 139 A
-ATOM 1103 C . GLU A 1 139 . 17.2678 -8.79545 2.99652 1 0 0 139 A
-ATOM 1104 O . GLU A 1 139 . 16.4527 -9.52247 2.42108 1 0 0 139 A
-ATOM 1105 CB . GLU A 1 139 . 19.5642 -9.70148 3.60331 1 0 0 139 A
-ATOM 1106 CG . GLU A 1 139 . 21.0398 -9.98641 3.18486 1 0 0 139 A
-ATOM 1107 CD . GLU A 1 139 . 21.2301 -10.5949 1.79404 1 0 0 139 A
-ATOM 1108 OE1 . GLU A 1 139 . 20.6087 -11.6729 1.59509 1 0 0 139 A
-ATOM 1109 OE2 . GLU A 1 139 . 21.9726 -10.0326 0.960368 1 0 0 139 A
-ATOM 1110 N . TYR A 1 140 . 16.9256 -7.95168 3.95955 1 0 0 140 A
-ATOM 1111 CA . TYR A 1 140 . 15.5302 -7.80843 4.37663 1 0 0 140 A
-ATOM 1112 C . TYR A 1 140 . 14.6619 -7.3369 3.21353 1 0 0 140 A
-ATOM 1113 O . TYR A 1 140 . 13.5687 -7.85679 2.99222 1 0 0 140 A
-ATOM 1114 CB . TYR A 1 140 . 15.4607 -6.84126 5.59866 1 0 0 140 A
-ATOM 1115 CG . TYR A 1 140 . 14.1288 -6.88488 6.30875 1 0 0 140 A
-ATOM 1116 CD1 . TYR A 1 140 . 13.9051 -7.80437 7.35402 1 0 0 140 A
-ATOM 1117 CD2 . TYR A 1 140 . 13.0668 -6.0586 5.88747 1 0 0 140 A
-ATOM 1118 CE1 . TYR A 1 140 . 12.6415 -7.90833 7.94782 1 0 0 140 A
-ATOM 1119 CE2 . TYR A 1 140 . 11.8029 -6.16632 6.47994 1 0 0 140 A
-ATOM 1120 CZ . TYR A 1 140 . 11.5904 -7.09458 7.5085 1 0 0 140 A
-ATOM 1121 OH . TYR A 1 140 . 10.3136 -7.22923 8.09124 1 0 0 140 A
-ATOM 1122 N . LEU A 1 141 . 15.1501 -6.34503 2.48198 1 0 0 141 A
-ATOM 1123 CA . LEU A 1 141 . 14.4006 -5.82929 1.33893 1 0 0 141 A
-ATOM 1124 C . LEU A 1 141 . 14.253 -6.90987 0.269089 1 0 0 141 A
-ATOM 1125 O . LEU A 1 141 . 13.1675 -7.08222 -0.298408 1 0 0 141 A
-ATOM 1126 CB . LEU A 1 141 . 15.1184 -4.56652 0.79793 1 0 0 141 A
-ATOM 1127 CG . LEU A 1 141 . 14.4889 -3.85647 -0.427679 1 0 0 141 A
-ATOM 1128 CD1 . LEU A 1 141 . 12.9922 -3.58743 -0.184549 1 0 0 141 A
-ATOM 1129 CD2 . LEU A 1 141 . 15.1554 -2.50211 -0.732842 1 0 0 141 A
-ATOM 1130 N . LYS A 1 142 . 15.3182 -7.64898 0.00636586 1 0 0 142 A
-ATOM 1131 CA . LYS A 1 142 . 15.2915 -8.72731 -0.979233 1 0 0 142 A
-ATOM 1132 C . LYS A 1 142 . 14.2866 -9.79825 -0.557783 1 0 0 142 A
-ATOM 1133 O . LYS A 1 142 . 13.5264 -10.3135 -1.38044 1 0 0 142 A
-ATOM 1134 CB . LYS A 1 142 . 16.7214 -9.32652 -1.1521 1 0 0 142 A
-ATOM 1135 CG . LYS A 1 142 . 16.8335 -10.5242 -2.11372 1 0 0 142 A
-ATOM 1136 CD . LYS A 1 142 . 18.2156 -11.2027 -2.08226 1 0 0 142 A
-ATOM 1137 CE . LYS A 1 142 . 18.2949 -12.4042 -3.02621 1 0 0 142 A
-ATOM 1138 NZ . LYS A 1 142 . 19.596 -13.0569 -2.91336 1 0 0 142 A
-ATOM 1139 N . ARG A 1 143 . 14.2921 -10.1377 0.725888 1 0 0 143 A
-ATOM 1140 CA . ARG A 1 143 . 13.3617 -11.1479 1.24418 1 0 0 143 A
-ATOM 1141 C . ARG A 1 143 . 11.9082 -10.6872 1.07429 1 0 0 143 A
-ATOM 1142 O . ARG A 1 143 . 11.0445 -11.4444 0.633494 1 0 0 143 A
-ATOM 1143 CB . ARG A 1 143 . 13.7051 -11.485 2.72811 1 0 0 143 A
-ATOM 1144 CG . ARG A 1 143 . 12.7154 -12.4304 3.45548 1 0 0 143 A
-ATOM 1145 CD . ARG A 1 143 . 13.1157 -12.7614 4.90523 1 0 0 143 A
-ATOM 1146 NE . ARG A 1 143 . 12.0373 -13.637 5.47132 1 0 0 143 A
-ATOM 1147 CZ . ARG A 1 143 . 10.9191 -13.1519 6.02798 1 0 0 143 A
-ATOM 1148 NH1 . ARG A 1 143 . 10.7664 -11.8316 6.07668 1 0 0 143 A
-ATOM 1149 NH2 . ARG A 1 143 . 9.96222 -13.9455 6.50068 1 0 0 143 A
-ATOM 1150 N . ILE A 1 144 . 11.6392 -9.4305 1.42673 1 0 0 144 A
-ATOM 1151 CA . ILE A 1 144 . 10.2914 -8.89047 1.2919 1 0 0 144 A
-ATOM 1152 C . ILE A 1 144 . 9.85032 -8.87379 -0.171761 1 0 0 144 A
-ATOM 1153 O . ILE A 1 144 . 8.71029 -9.24676 -0.494343 1 0 0 144 A
-ATOM 1154 CB . ILE A 1 144 . 10.2058 -7.47834 1.97268 1 0 0 144 A
-ATOM 1155 CG1 . ILE A 1 144 . 10.2711 -7.52982 3.52045 1 0 0 144 A
-ATOM 1156 CG2 . ILE A 1 144 . 9.02747 -6.60722 1.46749 1 0 0 144 A
-ATOM 1157 CD1 . ILE A 1 144 . 10.3775 -6.14777 4.19142 1 0 0 144 A
-ATOM 1158 N . ALA A 1 145 . 10.7399 -8.44144 -1.05406 1 0 0 145 A
-ATOM 1159 CA . ALA A 1 145 . 10.4268 -8.39999 -2.48332 1 0 0 145 A
-ATOM 1160 C . ALA A 1 145 . 10.1341 -9.79621 -3.01064 1 0 0 145 A
-ATOM 1161 O . ALA A 1 145 . 9.20138 -9.99951 -3.79928 1 0 0 145 A
-ATOM 1162 CB . ALA A 1 145 . 11.5824 -7.73587 -3.27443 1 0 0 145 A
-ATOM 1163 N . ASP A 1 146 . 10.9235 -10.7727 -2.57584 1 0 0 146 A
-ATOM 1164 CA . ASP A 1 146 . 10.731 -12.1521 -3.00767 1 0 0 146 A
-ATOM 1165 C . ASP A 1 146 . 9.37776 -12.6787 -2.53434 1 0 0 146 A
-ATOM 1166 O . ASP A 1 146 . 8.67046 -13.3692 -3.27623 1 0 0 146 A
-ATOM 1167 CB . ASP A 1 146 . 11.9493 -12.9932 -2.51583 1 0 0 146 A
-ATOM 1168 CG . ASP A 1 146 . 13.2039 -12.7383 -3.33507 1 0 0 146 A
-ATOM 1169 OD1 . ASP A 1 146 . 13.076 -12.1653 -4.44993 1 0 0 146 A
-ATOM 1170 OD2 . ASP A 1 146 . 14.267 -13.2724 -2.95125 1 0 0 146 A
-ATOM 1171 N . LEU A 1 147 . 9.02197 -12.354 -1.29766 1 0 0 147 A
-ATOM 1172 CA . LEU A 1 147 . 7.72854 -12.7702 -0.757726 1 0 0 147 A
-ATOM 1173 C . LEU A 1 147 . 6.58613 -12.1473 -1.56224 1 0 0 147 A
-ATOM 1174 O . LEU A 1 147 . 5.61926 -12.8198 -1.91979 1 0 0 147 A
-ATOM 1175 CB . LEU A 1 147 . 7.66597 -12.3819 0.741555 1 0 0 147 A
-ATOM 1176 CG . LEU A 1 147 . 8.52638 -13.209 1.73057 1 0 0 147 A
-ATOM 1177 CD1 . LEU A 1 147 . 8.73844 -12.43 3.04197 1 0 0 147 A
-ATOM 1178 CD2 . LEU A 1 147 . 7.87571 -14.5559 2.09656 1 0 0 147 A
-ATOM 1179 N . VAL A 1 148 . 6.70054 -10.8529 -1.85206 1 0 0 148 A
-ATOM 1180 CA . VAL A 1 148 . 5.683 -10.1602 -2.63659 1 0 0 148 A
-ATOM 1181 C . VAL A 1 148 . 5.56509 -10.7843 -4.02781 1 0 0 148 A
-ATOM 1182 O . VAL A 1 148 . 4.46271 -10.9984 -4.52983 1 0 0 148 A
-ATOM 1183 CB . VAL A 1 148 . 6.01066 -8.62746 -2.727 1 0 0 148 A
-ATOM 1184 CG1 . VAL A 1 148 . 5.18785 -7.87332 -3.78807 1 0 0 148 A
-ATOM 1185 CG2 . VAL A 1 148 . 5.83812 -7.91543 -1.37243 1 0 0 148 A
-ATOM 1186 N . ARG A 1 149 . 6.70702 -11.054 -4.65674 1 0 0 149 A
-ATOM 1187 CA . ARG A 1 149 . 6.70547 -11.6627 -5.98463 1 0 0 149 A
-ATOM 1188 C . ARG A 1 149 . 6.05354 -13.0415 -5.94886 1 0 0 149 A
-ATOM 1189 O . ARG A 1 149 . 5.29313 -13.3927 -6.85022 1 0 0 149 A
-ATOM 1190 CB . ARG A 1 149 . 8.15641 -11.7097 -6.55576 1 0 0 149 A
-ATOM 1191 CG . ARG A 1 149 . 8.76376 -10.3475 -6.97753 1 0 0 149 A
-ATOM 1192 CD . ARG A 1 149 . 10.2515 -10.4189 -7.36893 1 0 0 149 A
-ATOM 1193 NE . ARG A 1 149 . 10.3406 -11.2534 -8.61223 1 0 0 149 A
-ATOM 1194 CZ . ARG A 1 149 . 10.2219 -10.7425 -9.84531 1 0 0 149 A
-ATOM 1195 NH1 . ARG A 1 149 . 10.0158 -9.43384 -9.96314 1 0 0 149 A
-ATOM 1196 NH2 . ARG A 1 149 . 10.3304 -11.4951 -10.9365 1 0 0 149 A
-ATOM 1197 N . GLU A 1 150 . 6.34899 -13.8234 -4.9135 1 0 0 150 A
-ATOM 1198 CA . GLU A 1 150 . 5.74752 -15.1445 -4.78146 1 0 0 150 A
-ATOM 1199 C . GLU A 1 150 . 4.22878 -15.0388 -4.66236 1 0 0 150 A
-ATOM 1200 O . GLU A 1 150 . 3.48214 -15.7922 -5.27556 1 0 0 150 A
-ATOM 1201 CB . GLU A 1 150 . 6.3697 -15.8661 -3.55891 1 0 0 150 A
-ATOM 1202 CG . GLU A 1 150 . 5.96137 -17.3606 -3.37582 1 0 0 150 A
-ATOM 1203 CD . GLU A 1 150 . 6.35237 -18.3007 -4.51785 1 0 0 150 A
-ATOM 1204 OE1 . GLU A 1 150 . 7.30217 -17.8951 -5.23965 1 0 0 150 A
-ATOM 1205 OE2 . GLU A 1 150 . 5.73072 -19.3716 -4.68843 1 0 0 150 A
-ATOM 1206 N . ALA A 1 151 . 3.77351 -14.0854 -3.85778 1 0 0 151 A
-ATOM 1207 CA . ALA A 1 151 . 2.34503 -13.8503 -3.70067 1 0 0 151 A
-ATOM 1208 C . ALA A 1 151 . 1.70658 -13.477 -5.03681 1 0 0 151 A
-ATOM 1209 O . ALA A 1 151 . 0.672265 -14.0221 -5.4168 1 0 0 151 A
-ATOM 1210 CB . ALA A 1 151 . 2.0894 -12.7542 -2.63489 1 0 0 151 A
-ATOM 1211 N . VAL A 1 152 . 2.33514 -12.5499 -5.75427 1 0 0 152 A
-ATOM 1212 CA . VAL A 1 152 . 1.81941 -12.1219 -7.05091 1 0 0 152 A
-ATOM 1213 C . VAL A 1 152 . 1.76862 -13.3014 -8.0286 1 0 0 152 A
-ATOM 1214 O . VAL A 1 152 . 0.780997 -13.4837 -8.74449 1 0 0 152 A
-ATOM 1215 CB . VAL A 1 152 . 2.69017 -10.9471 -7.62216 1 0 0 152 A
-ATOM 1216 CG1 . VAL A 1 152 . 2.23757 -10.4491 -9.00736 1 0 0 152 A
-ATOM 1217 CG2 . VAL A 1 152 . 2.7467 -9.7451 -6.66107 1 0 0 152 A
-ATOM 1218 N . ALA A 1 153 . 2.83449 -14.0829 -8.05944 1 0 0 153 A
-ATOM 1219 CA . ALA A 1 153 . 2.88975 -15.2401 -8.95616 1 0 0 153 A
-ATOM 1220 C . ALA A 1 153 . 1.7946 -16.2464 -8.6263 1 0 0 153 A
-ATOM 1221 O . ALA A 1 153 . 1.16782 -16.8295 -9.52874 1 0 0 153 A
-ATOM 1222 CB . ALA A 1 153 . 4.29075 -15.9003 -8.89476 1 0 0 153 A
-ATOM 1223 N . LEU A 1 154 . 1.56137 -16.4657 -7.33501 1 0 0 154 A
-ATOM 1224 CA . LEU A 1 154 . 0.504923 -17.3881 -6.91117 1 0 0 154 A
-ATOM 1225 C . LEU A 1 154 . -0.861809 -16.8852 -7.34737 1 0 0 154 A
-ATOM 1226 O . LEU A 1 154 . -1.69239 -17.6391 -7.89508 1 0 0 154 A
-ATOM 1227 CB . LEU A 1 154 . 0.59677 -17.5701 -5.37464 1 0 0 154 A
-ATOM 1228 CG . LEU A 1 154 . 1.78209 -18.4028 -4.82311 1 0 0 154 A
-ATOM 1229 CD1 . LEU A 1 154 . 1.89844 -18.2295 -3.29732 1 0 0 154 A
-ATOM 1230 CD2 . LEU A 1 154 . 1.62748 -19.9091 -5.10383 1 0 0 154 A
-ATOM 1231 N . LEU A 1 155 . -1.10886 -15.6089 -7.09428 1 0 0 155 A
-ATOM 1232 CA . LEU A 1 155 . -2.36635 -14.9804 -7.48176 1 0 0 155 A
-ATOM 1233 C . LEU A 1 155 . -2.58092 -15.1201 -8.98576 1 0 0 155 A
-ATOM 1234 O . LEU A 1 155 . -3.63818 -15.5293 -9.47187 1 0 0 155 A
-ATOM 1235 CB . LEU A 1 155 . -2.34936 -13.4978 -7.02987 1 0 0 155 A
-ATOM 1236 CG . LEU A 1 155 . -3.36225 -12.5347 -7.69994 1 0 0 155 A
-ATOM 1237 CD1 . LEU A 1 155 . -4.80603 -12.9942 -7.4243 1 0 0 155 A
-ATOM 1238 CD2 . LEU A 1 155 . -3.23382 -11.0894 -7.18398 1 0 0 155 A
-ATOM 1239 N . GLU A 1 156 . -1.53609 -14.7684 -9.73577 1 0 0 156 A
-ATOM 1240 CA . GLU A 1 156 . -1.62283 -14.7597 -11.1872 1 0 0 156 A
-ATOM 1241 C . GLU A 1 156 . -1.87293 -16.1802 -11.7291 1 0 0 156 A
-ATOM 1242 O . GLU A 1 156 . -2.51765 -16.3617 -12.7695 1 0 0 156 A
-ATOM 1243 CB . GLU A 1 156 . -0.325052 -14.1441 -11.7696 1 0 0 156 A
-ATOM 1244 CG . GLU A 1 156 . -0.183369 -12.5978 -11.6193 1 0 0 156 A
-ATOM 1245 CD . GLU A 1 156 . 1.11554 -11.9944 -12.1575 1 0 0 156 A
-ATOM 1246 OE1 . GLU A 1 156 . 2.01362 -12.8312 -12.4416 1 0 0 156 A
-ATOM 1247 OE2 . GLU A 1 156 . 1.23093 -10.7548 -12.2703 1 0 0 156 A
-ATOM 1248 N . GLU A 1 157 . -1.37511 -17.1773 -11.0032 1 0 0 157 A
-ATOM 1249 CA . GLU A 1 157 . -1.5437 -18.5687 -11.4155 1 0 0 157 A
-ATOM 1250 C . GLU A 1 157 . -2.95086 -19.0743 -11.1977 1 0 0 157 A
-ATOM 1251 O . GLU A 1 157 . -3.39096 -19.9934 -11.8513 1 0 0 157 A
-ATOM 1252 CB . GLU A 1 157 . -0.501871 -19.4261 -10.6527 1 0 0 157 A
-ATOM 1253 CG . GLU A 1 157 . 0.960595 -19.3499 -11.1903 1 0 0 157 A
-ATOM 1254 CD . GLU A 1 157 . 1.22101 -20.0748 -12.5122 1 0 0 157 A
-ATOM 1255 OE1 . GLU A 1 157 . 0.224616 -20.6766 -12.9945 1 0 0 157 A
-ATOM 1256 OE2 . GLU A 1 157 . 2.36136 -20.0546 -13.0237 1 0 0 157 A
-ATOM 1257 N . LEU A 1 158 . -3.66613 -18.4383 -10.261 1 0 0 158 A
-ATOM 1258 CA . LEU A 1 158 . -5.03058 -18.8934 -9.92374 1 0 0 158 A
-ATOM 1259 C . LEU A 1 158 . -5.92199 -18.847 -11.1609 1 0 0 158 A
-ATOM 1260 O . LEU A 1 158 . -5.91 -17.879 -11.9489 1 0 0 158 A
-ATOM 1261 CB . LEU A 1 158 . -5.58371 -18.0151 -8.77257 1 0 0 158 A
-ATOM 1262 CG . LEU A 1 158 . -7.07641 -18.1905 -8.39362 1 0 0 158 A
-ATOM 1263 CD1 . LEU A 1 158 . -7.34312 -19.6262 -7.90475 1 0 0 158 A
-ATOM 1264 CD2 . LEU A 1 158 . -7.51748 -17.2335 -7.27055 1 0 0 158 A
-ATOM 1265 N . GLU A 1 159 . -6.75254 -19.879 -11.2721 1 0 0 159 A
-ATOM 1266 CA . GLU A 1 159 . -7.70788 -19.9235 -12.3888 1 0 0 159 A
-ATOM 1267 C . GLU A 1 159 . -9.10625 -19.5839 -11.9133 1 0 0 159 A
-ATOM 1268 O . GLU A 1 159 . -9.50215 -19.8707 -10.8125 1 0 0 159 A
-ATOM 1269 CB . GLU A 1 159 . -7.65161 -21.324 -13.0504 1 0 0 159 A
-ATOM 1270 CG . GLU A 1 159 . -6.34595 -21.6466 -13.8409 1 0 0 159 A
-ATOM 1271 CD . GLU A 1 159 . -6.26937 -23.0462 -14.4541 1 0 0 159 A
-ATOM 1272 OE1 . GLU A 1 159 . -7.30456 -23.7493 -14.3068 1 0 0 159 A
-ATOM 1273 OE2 . GLU A 1 159 . -5.22624 -23.4208 -15.0321 1 0 0 159 A
-ATOM 1274 N . ASP A 1 160 . -9.82826 -18.8857 -12.7807 1 0 0 160 A
-ATOM 1275 CA . ASP A 1 160 . -11.2436 -18.5841 -12.514 1 0 0 160 A
-ATOM 1276 C . ASP A 1 160 . -12.1036 -19.4598 -13.5567 1 0 0 160 A
-ATOM 1277 O . ASP A 1 160 . -11.9988 -21.4454 -13.2428 1 0 0 160 A
-ATOM 1278 CB . ASP A 1 160 . -11.5039 -17.0487 -12.605 1 0 0 160 A
-ATOM 1279 CG . ASP A 1 160 . -10.8652 -16.2791 -11.4603 1 0 0 160 A
-ATOM 1280 OD1 . ASP A 1 160 . -10.4824 -16.9296 -10.4514 1 0 0 160 A
-ATOM 1281 OD2 . ASP A 1 160 . -10.9218 -15.0309 -11.4963 1 0 0 160 A
-#

chroma/notebooks/shaped_protein_trajectory.cif

@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
-oid sha256:b6e17cbcf89d10ea5fc1af198f634b805e3cfb70838a55ef68784009e4983816
-size 54903634

chroma/notebooks/ss_conditioned_protein.cif

@@ -1,431 +0,0 @@
-data_GNR8
-#
-_entry.id   system
-#
-loop_
-_entity.id 
-_entity.type 
-_entity.pdbx_description 
-_entity.pdbx_number_of_molecules 
-1 polymer 'chain A' 1
-#
-loop_
-_entity_poly_seq.entity_id 
-_entity_poly_seq.num 
-_entity_poly_seq.mon_id 
-_entity_poly_seq.hetero 
-1 1 ALA n
-1 2 ALA n
-1 3 ALA n
-1 4 VAL n
-1 5 ALA n
-1 6 ALA n
-1 7 ALA n
-1 8 TYR n
-1 9 ASN n
-1 10 GLY n
-1 11 PRO n
-1 12 ALA n
-1 13 GLY n
-1 14 LEU n
-1 15 ALA n
-1 16 CYS n
-1 17 ALA n
-1 18 CYS n
-1 19 PRO n
-1 20 GLY n
-1 21 PHE n
-1 22 THR n
-1 23 CYS n
-1 24 GLU n
-1 25 ARG n
-1 26 SER n
-1 27 ALA n
-1 28 ASP n
-1 29 GLY n
-1 30 LYS n
-1 31 VAL n
-1 32 THR n
-1 33 VAL n
-1 34 THR n
-1 35 GLN n
-1 36 THR n
-1 37 ALA n
-1 38 ALA n
-1 39 CYS n
-1 40 ASN n
-1 41 GLY n
-1 42 PRO n
-1 43 ALA n
-1 44 ALA n
-1 45 CYS n
-1 46 LEU n
-1 47 ALA n
-1 48 ALA n
-1 49 ALA n
-#
-loop_
-_entity_poly.entity_id 
-_entity_poly.type 
-1 polypeptide(L)
-#
-loop_
-_pdbx_struct_assembly.id 
-_pdbx_struct_assembly.details 
-1 author_and_software_defined_assembly
-#
-loop_
-_pdbx_struct_assembly_gen.assembly_id 
-_pdbx_struct_assembly_gen.oper_expression 
-_pdbx_struct_assembly_gen.asym_id_list 
-1 1 A
-#
-loop_
-_pdbx_struct_oper_list.id 
-_pdbx_struct_oper_list.type 
-_pdbx_struct_oper_list.name 
-_pdbx_struct_oper_list.matrix[1][1] 
-_pdbx_struct_oper_list.matrix[1][2] 
-_pdbx_struct_oper_list.matrix[1][3] 
-_pdbx_struct_oper_list.matrix[2][1] 
-_pdbx_struct_oper_list.matrix[2][2] 
-_pdbx_struct_oper_list.matrix[2][3] 
-_pdbx_struct_oper_list.matrix[3][1] 
-_pdbx_struct_oper_list.matrix[3][2] 
-_pdbx_struct_oper_list.matrix[3][3] 
-_pdbx_struct_oper_list.vector[1] 
-_pdbx_struct_oper_list.vector[2] 
-_pdbx_struct_oper_list.vector[3] 
-1 'identity operation' 1_555 1 0 0 0 1 0 0 0 1 0 0 0
-#
-loop_
-_atom_site.group_PDB 
-_atom_site.id 
-_atom_site.label_atom_id 
-_atom_site.label_alt_id 
-_atom_site.label_comp_id 
-_atom_site.label_asym_id 
-_atom_site.label_entity_id 
-_atom_site.label_seq_id 
-_atom_site.pdbx_PDB_ins_code 
-_atom_site.Cartn_x 
-_atom_site.Cartn_y 
-_atom_site.Cartn_z 
-_atom_site.occupancy 
-_atom_site.B_iso_or_equiv 
-_atom_site.pdbx_PDB_model_num 
-_atom_site.auth_seq_id 
-_atom_site.auth_asym_id 
-ATOM 1 N . ALA A 1 1 . 0.860371 11.5678 -10.4882 1 0 0 1 A
-ATOM 2 CA . ALA A 1 1 . 0.884172 11.8617 -9.05758 1 0 0 1 A
-ATOM 3 C . ALA A 1 1 . 0.126396 13.148 -8.72915 1 0 0 1 A
-ATOM 4 O . ALA A 1 1 . -0.568545 13.2234 -7.71312 1 0 0 1 A
-ATOM 5 CB . ALA A 1 1 . 2.34943 11.9344 -8.55735 1 0 0 1 A
-ATOM 6 N . ALA A 1 2 . 0.267488 14.1457 -9.59586 1 0 0 2 A
-ATOM 7 CA . ALA A 1 2 . -0.403524 15.4345 -9.41535 1 0 0 2 A
-ATOM 8 C . ALA A 1 2 . -1.91826 15.3087 -9.54872 1 0 0 2 A
-ATOM 9 O . ALA A 1 2 . -2.66785 16.0081 -8.86923 1 0 0 2 A
-ATOM 10 CB . ALA A 1 2 . 0.160895 16.4697 -10.4215 1 0 0 2 A
-ATOM 11 N . ALA A 1 3 . -2.35593 14.4155 -10.4339 1 0 0 3 A
-ATOM 12 CA . ALA A 1 3 . -3.7779 14.1378 -10.6262 1 0 0 3 A
-ATOM 13 C . ALA A 1 3 . -4.39048 13.5039 -9.3756 1 0 0 3 A
-ATOM 14 O . ALA A 1 3 . -5.50638 13.8515 -8.9789 1 0 0 3 A
-ATOM 15 CB . ALA A 1 3 . -3.98647 13.2347 -11.8685 1 0 0 3 A
-ATOM 16 N . VAL A 1 4 . -3.64781 12.5835 -8.75998 1 0 0 4 A
-ATOM 17 CA . VAL A 1 4 . -4.08157 11.9225 -7.5319 1 0 0 4 A
-ATOM 18 C . VAL A 1 4 . -4.14352 12.9051 -6.3596 1 0 0 4 A
-ATOM 19 O . VAL A 1 4 . -5.05514 12.835 -5.52749 1 0 0 4 A
-ATOM 20 CB . VAL A 1 4 . -3.13067 10.7149 -7.21187 1 0 0 4 A
-ATOM 21 CG1 . VAL A 1 4 . -3.36059 10.0882 -5.82405 1 0 0 4 A
-ATOM 22 CG2 . VAL A 1 4 . -3.22339 9.60458 -8.275 1 0 0 4 A
-ATOM 23 N . ALA A 1 5 . -3.17678 13.8149 -6.30564 1 0 0 5 A
-ATOM 24 CA . ALA A 1 5 . -3.11152 14.8352 -5.2623 1 0 0 5 A
-ATOM 25 C . ALA A 1 5 . -4.28641 15.804 -5.35634 1 0 0 5 A
-ATOM 26 O . ALA A 1 5 . -4.85708 16.1918 -4.33633 1 0 0 5 A
-ATOM 27 CB . ALA A 1 5 . -1.75941 15.5894 -5.33654 1 0 0 5 A
-ATOM 28 N . ALA A 1 6 . -4.63857 16.1847 -6.57888 1 0 0 6 A
-ATOM 29 CA . ALA A 1 6 . -5.76491 17.0864 -6.83027 1 0 0 6 A
-ATOM 30 C . ALA A 1 6 . -7.11111 16.4229 -6.5335 1 0 0 6 A
-ATOM 31 O . ALA A 1 6 . -8.06972 17.102 -6.14633 1 0 0 6 A
-ATOM 32 CB . ALA A 1 6 . -5.70744 17.6026 -8.29066 1 0 0 6 A
-ATOM 33 N . ALA A 1 7 . -7.16946 15.1104 -6.71252 1 0 0 7 A
-ATOM 34 CA . ALA A 1 7 . -8.38775 14.3453 -6.47012 1 0 0 7 A
-ATOM 35 C . ALA A 1 7 . -8.62707 14.0869 -4.98586 1 0 0 7 A
-ATOM 36 O . ALA A 1 7 . -9.73885 14.2822 -4.49057 1 0 0 7 A
-ATOM 37 CB . ALA A 1 7 . -8.33402 13.0164 -7.26609 1 0 0 7 A
-ATOM 38 N . TYR A 1 8 . -7.58525 13.6512 -4.28643 1 0 0 8 A
-ATOM 39 CA . TYR A 1 8 . -7.69224 13.3455 -2.85933 1 0 0 8 A
-ATOM 40 C . TYR A 1 8 . -6.45739 13.7791 -2.07013 1 0 0 8 A
-ATOM 41 O . TYR A 1 8 . -5.93716 13.0176 -1.25123 1 0 0 8 A
-ATOM 42 CB . TYR A 1 8 . -7.98391 11.82 -2.7132 1 0 0 8 A
-ATOM 43 CG . TYR A 1 8 . -9.36058 11.4348 -3.19949 1 0 0 8 A
-ATOM 44 CD1 . TYR A 1 8 . -10.4647 11.4704 -2.32332 1 0 0 8 A
-ATOM 45 CD2 . TYR A 1 8 . -9.54796 10.9634 -4.51509 1 0 0 8 A
-ATOM 46 CE1 . TYR A 1 8 . -11.7215 11.0238 -2.74888 1 0 0 8 A
-ATOM 47 CE2 . TYR A 1 8 . -10.8046 10.5139 -4.93793 1 0 0 8 A
-ATOM 48 CZ . TYR A 1 8 . -11.8907 10.5414 -4.05223 1 0 0 8 A
-ATOM 49 OH . TYR A 1 8 . -13.1529 10.0643 -4.46107 1 0 0 8 A
-ATOM 50 N . ASN A 1 9 . -6.00435 15.0046 -2.32677 1 0 0 9 A
-ATOM 51 CA . ASN A 1 9 . -4.85142 15.5944 -1.63623 1 0 0 9 A
-ATOM 52 C . ASN A 1 9 . -3.63927 14.6615 -1.59903 1 0 0 9 A
-ATOM 53 O . ASN A 1 9 . -3.0436 14.4482 -0.540619 1 0 0 9 A
-ATOM 54 CB . ASN A 1 9 . -5.34534 16.0105 -0.216217 1 0 0 9 A
-ATOM 55 CG . ASN A 1 9 . -6.47769 17.0395 -0.21996 1 0 0 9 A
-ATOM 56 OD1 . ASN A 1 9 . -6.50045 17.9959 -0.992972 1 0 0 9 A
-ATOM 57 ND2 . ASN A 1 9 . -7.45549 16.8514 0.691653 1 0 0 9 A
-ATOM 58 N . GLY A 1 10 . -3.28827 14.1156 -2.75587 1 0 0 10 A
-ATOM 59 CA . GLY A 1 10 . -2.15511 13.2068 -2.86495 1 0 0 10 A
-ATOM 60 C . GLY A 1 10 . -2.52192 11.7692 -2.55455 1 0 0 10 A
-ATOM 61 O . GLY A 1 10 . -3.64029 11.4849 -2.11603 1 0 0 10 A
-ATOM 62 N . PRO A 1 11 . -1.57441 10.8663 -2.78301 1 0 0 11 A
-ATOM 63 CA . PRO A 1 11 . -1.77758 9.43815 -2.52901 1 0 0 11 A
-ATOM 64 C . PRO A 1 11 . -2.05962 9.15432 -1.05417 1 0 0 11 A
-ATOM 65 O . PRO A 1 11 . -2.85737 8.26856 -0.732184 1 0 0 11 A
-ATOM 66 CB . PRO A 1 11 . -0.432407 8.83796 -2.97831 1 0 0 11 A
-ATOM 67 CG . PRO A 1 11 . 0.0849437 9.81415 -4.03674 1 0 0 11 A
-ATOM 68 CD . PRO A 1 11 . -0.49038 11.1577 -3.58421 1 0 0 11 A
-ATOM 69 N . ALA A 1 12 . -1.40521 9.90899 -0.175392 1 0 0 12 A
-ATOM 70 CA . ALA A 1 12 . -1.60796 9.78048 1.26703 1 0 0 12 A
-ATOM 71 C . ALA A 1 12 . -3.04967 10.0971 1.65961 1 0 0 12 A
-ATOM 72 O . ALA A 1 12 . -3.64265 9.38614 2.47322 1 0 0 12 A
-ATOM 73 CB . ALA A 1 12 . -0.610036 10.6895 2.02883 1 0 0 12 A
-ATOM 74 N . GLY A 1 13 . -3.59849 11.1528 1.06779 1 0 0 13 A
-ATOM 75 CA . GLY A 1 13 . -4.98429 11.5468 1.3076 1 0 0 13 A
-ATOM 76 C . GLY A 1 13 . -5.97464 10.5179 0.795851 1 0 0 13 A
-ATOM 77 O . GLY A 1 13 . -7.00104 10.2696 1.42993 1 0 0 13 A
-ATOM 78 N . LEU A 1 14 . -5.6576 9.92361 -0.352348 1 0 0 14 A
-ATOM 79 CA . LEU A 1 14 . -6.48211 8.86532 -0.938057 1 0 0 14 A
-ATOM 80 C . LEU A 1 14 . -6.48433 7.61485 -0.0593955 1 0 0 14 A
-ATOM 81 O . LEU A 1 14 . -7.50347 6.92784 0.0506237 1 0 0 14 A
-ATOM 82 CB . LEU A 1 14 . -5.95868 8.57331 -2.36748 1 0 0 14 A
-ATOM 83 CG . LEU A 1 14 . -6.62323 7.41098 -3.14842 1 0 0 14 A
-ATOM 84 CD1 . LEU A 1 14 . -8.1531 7.58524 -3.17537 1 0 0 14 A
-ATOM 85 CD2 . LEU A 1 14 . -6.14429 7.33084 -4.60985 1 0 0 14 A
-ATOM 86 N . ALA A 1 15 . -5.34043 7.33365 0.5586 1 0 0 15 A
-ATOM 87 CA . ALA A 1 15 . -5.21025 6.21414 1.48981 1 0 0 15 A
-ATOM 88 C . ALA A 1 15 . -6.06514 6.44244 2.73535 1 0 0 15 A
-ATOM 89 O . ALA A 1 15 . -6.69571 5.51062 3.2404 1 0 0 15 A
-ATOM 90 CB . ALA A 1 15 . -3.72337 5.99178 1.86695 1 0 0 15 A
-ATOM 91 N . CYS A 1 16 . -6.08705 7.68545 3.21238 1 0 0 16 A
-ATOM 92 CA . CYS A 1 16 . -6.88247 8.06672 4.3819 1 0 0 16 A
-ATOM 93 C . CYS A 1 16 . -8.38161 7.91897 4.11831 1 0 0 16 A
-ATOM 94 O . CYS A 1 16 . -9.14131 7.53939 5.01407 1 0 0 16 A
-ATOM 95 CB . CYS A 1 16 . -6.50104 9.52535 4.78251 1 0 0 16 A
-ATOM 96 SG . CYS A 1 16 . -4.68971 9.80187 4.95053 1 0 0 16 A
-ATOM 97 N . ALA A 1 17 . -8.79431 8.2173 2.88996 1 0 0 17 A
-ATOM 98 CA . ALA A 1 17 . -10.197 8.10219 2.48663 1 0 0 17 A
-ATOM 99 C . ALA A 1 17 . -10.6303 6.64567 2.29959 1 0 0 17 A
-ATOM 100 O . ALA A 1 17 . -11.8206 6.36433 2.14311 1 0 0 17 A
-ATOM 101 CB . ALA A 1 17 . -10.4378 8.92586 1.19584 1 0 0 17 A
-ATOM 102 N . CYS A 1 18 . -9.66117 5.73389 2.31519 1 0 0 18 A
-ATOM 103 CA . CYS A 1 18 . -9.93709 4.30623 2.17498 1 0 0 18 A
-ATOM 104 C . CYS A 1 18 . -10.5248 3.70322 3.43465 1 0 0 18 A
-ATOM 105 O . CYS A 1 18 . -10.3194 4.22281 4.53511 1 0 0 18 A
-ATOM 106 CB . CYS A 1 18 . -8.61201 3.59956 1.7526 1 0 0 18 A
-ATOM 107 SG . CYS A 1 18 . -8.09118 3.96448 0.0259936 1 0 0 18 A
-ATOM 108 N . PRO A 1 19 . -11.2604 2.60598 3.27072 1 0 0 19 A
-ATOM 109 CA . PRO A 1 19 . -11.8603 1.89101 4.39877 1 0 0 19 A
-ATOM 110 C . PRO A 1 19 . -10.781 1.35178 5.33657 1 0 0 19 A
-ATOM 111 O . PRO A 1 19 . -9.82319 0.715135 4.89105 1 0 0 19 A
-ATOM 112 CB . PRO A 1 19 . -12.6316 0.753963 3.70314 1 0 0 19 A
-ATOM 113 CG . PRO A 1 19 . -12.8645 1.26719 2.28074 1 0 0 19 A
-ATOM 114 CD . PRO A 1 19 . -11.6532 2.16798 2.0313 1 0 0 19 A
-ATOM 115 N . GLY A 1 20 . -10.9474 1.62377 6.62648 1 0 0 20 A
-ATOM 116 CA . GLY A 1 20 . -9.99722 1.17843 7.64575 1 0 0 20 A
-ATOM 117 C . GLY A 1 20 . -8.76843 2.05704 7.7754 1 0 0 20 A
-ATOM 118 O . GLY A 1 20 . -7.80872 1.68811 8.45434 1 0 0 20 A
-ATOM 119 N . PHE A 1 21 . -8.79931 3.21477 7.12586 1 0 0 21 A
-ATOM 120 CA . PHE A 1 21 . -7.68405 4.1563 7.16026 1 0 0 21 A
-ATOM 121 C . PHE A 1 21 . -8.11057 5.49837 7.74591 1 0 0 21 A
-ATOM 122 O . PHE A 1 21 . -9.24605 5.93786 7.55606 1 0 0 21 A
-ATOM 123 CB . PHE A 1 21 . -7.09435 4.29409 5.7226 1 0 0 21 A
-ATOM 124 CG . PHE A 1 21 . -6.45636 3.01795 5.2281 1 0 0 21 A
-ATOM 125 CD1 . PHE A 1 21 . -7.25558 1.90482 4.89601 1 0 0 21 A
-ATOM 126 CD2 . PHE A 1 21 . -5.0544 2.90318 5.13102 1 0 0 21 A
-ATOM 127 CE1 . PHE A 1 21 . -6.66815 0.700871 4.48927 1 0 0 21 A
-ATOM 128 CE2 . PHE A 1 21 . -4.46368 1.69964 4.72783 1 0 0 21 A
-ATOM 129 CZ . PHE A 1 21 . -5.27447 0.596306 4.40729 1 0 0 21 A
-ATOM 130 N . THR A 1 22 . -7.18695 6.13762 8.45738 1 0 0 22 A
-ATOM 131 CA . THR A 1 22 . -7.42989 7.44382 9.06294 1 0 0 22 A
-ATOM 132 C . THR A 1 22 . -6.27891 8.39837 8.75256 1 0 0 22 A
-ATOM 133 O . THR A 1 22 . -5.10768 8.02308 8.84478 1 0 0 22 A
-ATOM 134 CB . THR A 1 22 . -7.73378 7.33897 10.5997 1 0 0 22 A
-ATOM 135 OG1 . THR A 1 22 . -8.10357 8.59996 11.1636 1 0 0 22 A
-ATOM 136 CG2 . THR A 1 22 . -6.61439 6.75557 11.4643 1 0 0 22 A
-ATOM 137 N . CYS A 1 23 . -6.62549 9.6265 8.38429 1 0 0 23 A
-ATOM 138 CA . CYS A 1 23 . -5.63525 10.6414 8.05495 1 0 0 23 A
-ATOM 139 C . CYS A 1 23 . -5.76065 11.901 8.89028 1 0 0 23 A
-ATOM 140 O . CYS A 1 23 . -6.84937 12.2373 9.36139 1 0 0 23 A
-ATOM 141 CB . CYS A 1 23 . -5.76105 10.9381 6.5286 1 0 0 23 A
-ATOM 142 SG . CYS A 1 23 . -4.81787 9.77155 5.46312 1 0 0 23 A
-ATOM 143 N . GLU A 1 24 . -4.64051 12.589 9.07556 1 0 0 24 A
-ATOM 144 CA . GLU A 1 24 . -4.6096 13.8626 9.79326 1 0 0 24 A
-ATOM 145 C . GLU A 1 24 . -3.69784 14.8574 9.0784 1 0 0 24 A
-ATOM 146 O . GLU A 1 24 . -2.54029 14.5496 8.78844 1 0 0 24 A
-ATOM 147 CB . GLU A 1 24 . -4.15513 13.6159 11.2545 1 0 0 24 A
-ATOM 148 CG . GLU A 1 24 . -5.06823 12.6721 12.0965 1 0 0 24 A
-ATOM 149 CD . GLU A 1 24 . -4.68958 12.5238 13.5715 1 0 0 24 A
-ATOM 150 OE1 . GLU A 1 24 . -3.79603 13.3158 13.9739 1 0 0 24 A
-ATOM 151 OE2 . GLU A 1 24 . -5.24403 11.6529 14.2761 1 0 0 24 A
-ATOM 152 N . ARG A 1 25 . -4.23393 16.0378 8.80046 1 0 0 25 A
-ATOM 153 CA . ARG A 1 25 . -3.49479 17.0917 8.10063 1 0 0 25 A
-ATOM 154 C . ARG A 1 25 . -3.26293 18.3186 8.97926 1 0 0 25 A
-ATOM 155 O . ARG A 1 25 . -4.05734 18.608 9.87901 1 0 0 25 A
-ATOM 156 CB . ARG A 1 25 . -4.23478 17.4462 6.77387 1 0 0 25 A
-ATOM 157 CG . ARG A 1 25 . -3.47757 18.3916 5.80669 1 0 0 25 A
-ATOM 158 CD . ARG A 1 25 . -4.19544 18.6198 4.4635 1 0 0 25 A
-ATOM 159 NE . ARG A 1 25 . -3.26889 19.4227 3.59932 1 0 0 25 A
-ATOM 160 CZ . ARG A 1 25 . -3.49352 19.6458 2.29726 1 0 0 25 A
-ATOM 161 NH1 . ARG A 1 25 . -4.59134 19.1275 1.75401 1 0 0 25 A
-ATOM 162 NH2 . ARG A 1 25 . -2.67317 20.3829 1.55385 1 0 0 25 A
-ATOM 163 N . SER A 1 26 . -2.17085 19.0232 8.712 1 0 0 26 A
-ATOM 164 CA . SER A 1 26 . -1.8409 20.2507 9.43834 1 0 0 26 A
-ATOM 165 C . SER A 1 26 . -1.82943 21.4693 8.51287 1 0 0 26 A
-ATOM 166 O . SER A 1 26 . -1.90831 21.3294 7.28958 1 0 0 26 A
-ATOM 167 CB . SER A 1 26 . -0.488235 20.1025 10.2012 1 0 0 26 A
-ATOM 168 OG . SER A 1 26 . -0.450312 18.9333 11.0236 1 0 0 26 A
-ATOM 169 N . ALA A 1 27 . -1.7308 22.6572 9.10592 1 0 0 27 A
-ATOM 170 CA . ALA A 1 27 . -1.72 23.9154 8.35958 1 0 0 27 A
-ATOM 171 C . ALA A 1 27 . -0.509238 24.0405 7.43338 1 0 0 27 A
-ATOM 172 O . ALA A 1 27 . -0.562773 24.736 6.41863 1 0 0 27 A
-ATOM 173 CB . ALA A 1 27 . -1.789 25.1048 9.35107 1 0 0 27 A
-ATOM 174 N . ASP A 1 28 . 0.571142 23.3457 7.78435 1 0 0 28 A
-ATOM 175 CA . ASP A 1 28 . 1.79371 23.3461 6.98417 1 0 0 28 A
-ATOM 176 C . ASP A 1 28 . 1.74522 22.354 5.81913 1 0 0 28 A
-ATOM 177 O . ASP A 1 28 . 2.75407 22.1267 5.14543 1 0 0 28 A
-ATOM 178 CB . ASP A 1 28 . 2.98012 23.1134 7.97001 1 0 0 28 A
-ATOM 179 CG . ASP A 1 28 . 2.84827 21.8131 8.74612 1 0 0 28 A
-ATOM 180 OD1 . ASP A 1 28 . 1.88382 21.0523 8.46577 1 0 0 28 A
-ATOM 181 OD2 . ASP A 1 28 . 3.58698 21.6532 9.74173 1 0 0 28 A
-ATOM 182 N . GLY A 1 29 . 0.569079 21.7668 5.59384 1 0 0 29 A
-ATOM 183 CA . GLY A 1 29 . 0.361891 20.8442 4.48119 1 0 0 29 A
-ATOM 184 C . GLY A 1 29 . 0.852358 19.4291 4.704 1 0 0 29 A
-ATOM 185 O . GLY A 1 29 . 0.805441 18.6104 3.78485 1 0 0 29 A
-ATOM 186 N . LYS A 1 30 . 1.32167 19.1401 5.9107 1 0 0 30 A
-ATOM 187 CA . LYS A 1 30 . 1.81334 17.7992 6.24346 1 0 0 30 A
-ATOM 188 C . LYS A 1 30 . 0.653252 16.8834 6.61055 1 0 0 30 A
-ATOM 189 O . LYS A 1 30 . -0.222827 17.2531 7.39639 1 0 0 30 A
-ATOM 190 CB . LYS A 1 30 . 2.85342 17.8911 7.40251 1 0 0 30 A
-ATOM 191 CG . LYS A 1 30 . 4.12614 18.7025 7.09688 1 0 0 30 A
-ATOM 192 CD . LYS A 1 30 . 5.13709 18.7095 8.25857 1 0 0 30 A
-ATOM 193 CE . LYS A 1 30 . 6.46398 19.3651 7.87051 1 0 0 30 A
-ATOM 194 NZ . LYS A 1 30 . 7.41235 19.2923 8.97816 1 0 0 30 A
-ATOM 195 N . VAL A 1 31 . 0.656852 15.686 6.03293 1 0 0 31 A
-ATOM 196 CA . VAL A 1 31 . -0.395157 14.6971 6.26718 1 0 0 31 A
-ATOM 197 C . VAL A 1 31 . 0.176322 13.366 6.74424 1 0 0 31 A
-ATOM 198 O . VAL A 1 31 . 1.21574 12.9158 6.25189 1 0 0 31 A
-ATOM 199 CB . VAL A 1 31 . -1.24878 14.5142 4.96226 1 0 0 31 A
-ATOM 200 CG1 . VAL A 1 31 . -2.28714 13.3802 5.04767 1 0 0 31 A
-ATOM 201 CG2 . VAL A 1 31 . -1.9696 15.8121 4.55278 1 0 0 31 A
-ATOM 202 N . THR A 1 32 . -0.509233 12.7549 7.70089 1 0 0 32 A
-ATOM 203 CA . THR A 1 32 . -0.134676 11.4414 8.21772 1 0 0 32 A
-ATOM 204 C . THR A 1 32 . -1.31549 10.482 8.10086 1 0 0 32 A
-ATOM 205 O . THR A 1 32 . -2.44063 10.8267 8.47195 1 0 0 32 A
-ATOM 206 CB . THR A 1 32 . 0.449459 11.5103 9.67338 1 0 0 32 A
-ATOM 207 OG1 . THR A 1 32 . -0.443107 12.1597 10.5826 1 0 0 32 A
-ATOM 208 CG2 . THR A 1 32 . 1.8191 12.1777 9.8132 1 0 0 32 A
-ATOM 209 N . VAL A 1 33 . -1.05065 9.28848 7.58057 1 0 0 33 A
-ATOM 210 CA . VAL A 1 33 . -2.08592 8.27048 7.40232 1 0 0 33 A
-ATOM 211 C . VAL A 1 33 . -1.77847 7.00612 8.1973 1 0 0 33 A
-ATOM 212 O . VAL A 1 33 . -0.629405 6.56572 8.25552 1 0 0 33 A
-ATOM 213 CB . VAL A 1 33 . -2.25784 7.95354 5.87428 1 0 0 33 A
-ATOM 214 CG1 . VAL A 1 33 . -0.938251 7.62667 5.15079 1 0 0 33 A
-ATOM 215 CG2 . VAL A 1 33 . -3.25254 6.80407 5.62753 1 0 0 33 A
-ATOM 216 N . THR A 1 34 . -2.81514 6.43756 8.80307 1 0 0 34 A
-ATOM 217 CA . THR A 1 34 . -2.68772 5.1951 9.56127 1 0 0 34 A
-ATOM 218 C . THR A 1 34 . -3.73028 4.17537 9.11582 1 0 0 34 A
-ATOM 219 O . THR A 1 34 . -4.92488 4.47713 9.07813 1 0 0 34 A
-ATOM 220 CB . THR A 1 34 . -2.70973 5.44835 11.1106 1 0 0 34 A
-ATOM 221 OG1 . THR A 1 34 . -1.7163 6.39332 11.5168 1 0 0 34 A
-ATOM 222 CG2 . THR A 1 34 . -2.55697 4.20784 11.993 1 0 0 34 A
-ATOM 223 N . GLN A 1 35 . -3.26489 2.97888 8.77704 1 0 0 35 A
-ATOM 224 CA . GLN A 1 35 . -4.15302 1.88886 8.38336 1 0 0 35 A
-ATOM 225 C . GLN A 1 35 . -4.43061 0.984612 9.5827 1 0 0 35 A
-ATOM 226 O . GLN A 1 35 . -3.50398 0.509364 10.2428 1 0 0 35 A
-ATOM 227 CB . GLN A 1 35 . -3.52146 1.10178 7.20686 1 0 0 35 A
-ATOM 228 CG . GLN A 1 35 . -4.43152 0.0288993 6.55631 1 0 0 35 A
-ATOM 229 CD . GLN A 1 35 . -3.67301 -0.863357 5.5717 1 0 0 35 A
-ATOM 230 OE1 . GLN A 1 35 . -2.4524 -0.785027 5.44181 1 0 0 35 A
-ATOM 231 NE2 . GLN A 1 35 . -4.40575 -1.74582 4.85976 1 0 0 35 A
-ATOM 232 N . THR A 1 36 . -5.71229 0.763825 9.85986 1 0 0 36 A
-ATOM 233 CA . THR A 1 36 . -6.13442 -0.0808779 10.9775 1 0 0 36 A
-ATOM 234 C . THR A 1 36 . -6.92741 -1.29984 10.5008 1 0 0 36 A
-ATOM 235 O . THR A 1 36 . -7.42433 -2.08673 11.3133 1 0 0 36 A
-ATOM 236 CB . THR A 1 36 . -6.89764 0.750857 12.0686 1 0 0 36 A
-ATOM 237 OG1 . THR A 1 36 . -8.03544 1.43011 11.5311 1 0 0 36 A
-ATOM 238 CG2 . THR A 1 36 . -6.06113 1.78057 12.8308 1 0 0 36 A
-ATOM 239 N . ALA A 1 37 . -7.04231 -1.45513 9.18413 1 0 0 37 A
-ATOM 240 CA . ALA A 1 37 . -7.74698 -2.58884 8.58269 1 0 0 37 A
-ATOM 241 C . ALA A 1 37 . -7.39209 -2.73823 7.10567 1 0 0 37 A
-ATOM 242 O . ALA A 1 37 . -7.30406 -1.74832 6.37611 1 0 0 37 A
-ATOM 243 CB . ALA A 1 37 . -9.27711 -2.4342 8.77578 1 0 0 37 A
-ATOM 244 N . ALA A 1 38 . -7.19184 -3.98314 6.68073 1 0 0 38 A
-ATOM 245 CA . ALA A 1 38 . -6.8767 -4.28657 5.2859 1 0 0 38 A
-ATOM 246 C . ALA A 1 38 . -8.09753 -4.08335 4.39289 1 0 0 38 A
-ATOM 247 O . ALA A 1 38 . -9.22572 -4.38213 4.79453 1 0 0 38 A
-ATOM 248 CB . ALA A 1 38 . -6.32631 -5.72992 5.15819 1 0 0 38 A
-ATOM 249 N . CYS A 1 39 . -7.86216 -3.56942 3.19361 1 0 0 39 A
-ATOM 250 CA . CYS A 1 39 . -8.93096 -3.35806 2.21793 1 0 0 39 A
-ATOM 251 C . CYS A 1 39 . -8.40669 -3.38108 0.783401 1 0 0 39 A
-ATOM 252 O . CYS A 1 39 . -8.76629 -2.5278 -0.0266382 1 0 0 39 A
-ATOM 253 CB . CYS A 1 39 . -9.64383 -2.01266 2.55753 1 0 0 39 A
-ATOM 254 SG . CYS A 1 39 . -8.53067 -0.548258 2.513 1 0 0 39 A
-ATOM 255 N . ASN A 1 40 . -7.56474 -4.37267 0.48523 1 0 0 40 A
-ATOM 256 CA . ASN A 1 40 . -6.97707 -4.54547 -0.848316 1 0 0 40 A
-ATOM 257 C . ASN A 1 40 . -6.459 -3.21749 -1.40442 1 0 0 40 A
-ATOM 258 O . ASN A 1 40 . -6.79782 -2.81948 -2.52306 1 0 0 40 A
-ATOM 259 CB . ASN A 1 40 . -8.05881 -5.20736 -1.7568 1 0 0 40 A
-ATOM 260 CG . ASN A 1 40 . -8.67582 -6.48098 -1.17535 1 0 0 40 A
-ATOM 261 OD1 . ASN A 1 40 . -8.00035 -7.45907 -0.859144 1 0 0 40 A
-ATOM 262 ND2 . ASN A 1 40 . -10.0191 -6.48347 -1.04061 1 0 0 40 A
-ATOM 263 N . GLY A 1 41 . -5.65371 -2.53071 -0.600337 1 0 0 41 A
-ATOM 264 CA . GLY A 1 41 . -5.12149 -1.22575 -0.972483 1 0 0 41 A
-ATOM 265 C . GLY A 1 41 . -6.11073 -0.12403 -0.651062 1 0 0 41 A
-ATOM 266 O . GLY A 1 41 . -7.31975 -0.295012 -0.821692 1 0 0 41 A
-ATOM 267 N . PRO A 1 42 . -5.59404 1.00974 -0.187742 1 0 0 42 A
-ATOM 268 CA . PRO A 1 42 . -6.42767 2.15414 0.16795 1 0 0 42 A
-ATOM 269 C . PRO A 1 42 . -7.22664 2.71744 -0.99153 1 0 0 42 A
-ATOM 270 O . PRO A 1 42 . -8.39638 3.07145 -0.828707 1 0 0 42 A
-ATOM 271 CB . PRO A 1 42 . -5.36402 3.15062 0.665206 1 0 0 42 A
-ATOM 272 CG . PRO A 1 42 . -4.06764 2.68776 -0.00266474 1 0 0 42 A
-ATOM 273 CD . PRO A 1 42 . -4.20346 1.16382 -0.0111134 1 0 0 42 A
-ATOM 274 N . ALA A 1 43 . -6.59356 2.79449 -2.15674 1 0 0 43 A
-ATOM 275 CA . ALA A 1 43 . -7.24361 3.29587 -3.36892 1 0 0 43 A
-ATOM 276 C . ALA A 1 43 . -8.4239 2.41334 -3.77457 1 0 0 43 A
-ATOM 277 O . ALA A 1 43 . -9.49979 2.92079 -4.09895 1 0 0 43 A
-ATOM 278 CB . ALA A 1 43 . -6.2119 3.41113 -4.51991 1 0 0 43 A
-ATOM 279 N . ALA A 1 44 . -8.2122 1.09645 -3.73556 1 0 0 44 A
-ATOM 280 CA . ALA A 1 44 . -9.25657 0.12226 -4.07209 1 0 0 44 A
-ATOM 281 C . ALA A 1 44 . -10.4253 0.184984 -3.09136 1 0 0 44 A
-ATOM 282 O . ALA A 1 44 . -11.5864 0.106687 -3.49727 1 0 0 44 A
-ATOM 283 CB . ALA A 1 44 . -8.65216 -1.30391 -4.129 1 0 0 44 A
-ATOM 284 N . CYS A 1 45 . -10.1065 0.332533 -1.80607 1 0 0 45 A
-ATOM 285 CA . CYS A 1 45 . -11.1181 0.446467 -0.754786 1 0 0 45 A
-ATOM 286 C . CYS A 1 45 . -11.9419 1.72637 -0.893083 1 0 0 45 A
-ATOM 287 O . CYS A 1 45 . -13.1568 1.70596 -0.68282 1 0 0 45 A
-ATOM 288 CB . CYS A 1 45 . -10.3996 0.361008 0.627265 1 0 0 45 A
-ATOM 289 SG . CYS A 1 45 . -11.5501 0.297479 2.06186 1 0 0 45 A
-ATOM 290 N . LEU A 1 46 . -11.2772 2.82465 -1.24507 1 0 0 46 A
-ATOM 291 CA . LEU A 1 46 . -11.9472 4.11423 -1.44412 1 0 0 46 A
-ATOM 292 C . LEU A 1 46 . -12.9407 4.07782 -2.60624 1 0 0 46 A
-ATOM 293 O . LEU A 1 46 . -14.0021 4.70146 -2.53714 1 0 0 46 A
-ATOM 294 CB . LEU A 1 46 . -10.851 5.19112 -1.64695 1 0 0 46 A
-ATOM 295 CG . LEU A 1 46 . -11.3121 6.6102 -2.06658 1 0 0 46 A
-ATOM 296 CD1 . LEU A 1 46 . -12.0975 7.28125 -0.924477 1 0 0 46 A
-ATOM 297 CD2 . LEU A 1 46 . -10.1321 7.5353 -2.41795 1 0 0 46 A
-ATOM 298 N . ALA A 1 47 . -12.5881 3.3442 -3.65785 1 0 0 47 A
-ATOM 299 CA . ALA A 1 47 . -13.4535 3.18801 -4.82956 1 0 0 47 A
-ATOM 300 C . ALA A 1 47 . -14.6814 2.33636 -4.5176 1 0 0 47 A
-ATOM 301 O . ALA A 1 47 . -15.7982 2.66655 -4.94387 1 0 0 47 A
-ATOM 302 CB . ALA A 1 47 . -12.6445 2.58951 -6.00848 1 0 0 47 A
-ATOM 303 N . ALA A 1 48 . -14.4774 1.25256 -3.77142 1 0 0 48 A
-ATOM 304 CA . ALA A 1 48 . -15.5567 0.328604 -3.41643 1 0 0 48 A
-ATOM 305 C . ALA A 1 48 . -16.469 0.859166 -2.3061 1 0 0 48 A
-ATOM 306 O . ALA A 1 48 . -17.6339 0.477114 -2.22075 1 0 0 48 A
-ATOM 307 CB . ALA A 1 48 . -14.9439 -1.04109 -3.02791 1 0 0 48 A
-ATOM 308 N . ALA A 1 49 . -15.9221 1.74242 -1.47143 1 0 0 49 A
-ATOM 309 CA . ALA A 1 49 . -16.5797 2.19164 -0.268912 1 0 0 49 A
-ATOM 310 C . ALA A 1 49 . -18.0316 2.7599 -0.541524 1 0 0 49 A
-ATOM 311 O . ALA A 1 49 . -19.4306 2.1012 0.863819 1 0 0 49 A
-ATOM 312 CB . ALA A 1 49 . -15.6923 3.24591 0.440681 1 0 0 49 A
-#

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