diff --git "a/output.pdb" "b/output.pdb" new file mode 100644--- /dev/null +++ "b/output.pdb" @@ -0,0 +1,2273 @@ +ATOM 1 N GLY A 1 -12.762 8.004 -16.871 1.00 24.55 N +ATOM 2 CA GLY A 1 -13.385 8.597 -16.568 1.00 23.12 C +ATOM 3 C GLY A 1 -14.418 7.895 -16.935 1.00 20.62 C +ATOM 4 O GLY A 1 -15.059 8.282 -16.807 1.00 20.62 O +ATOM 5 HA2 GLY A 1 -12.991 8.816 -15.829 1.00 27.74 H +ATOM 6 HA3 GLY A 1 -13.523 9.250 -16.855 1.00 27.74 H +ATOM 7 N SER A 2 -14.579 6.860 -17.391 1.00 20.39 N +ATOM 8 CA SER A 2 -15.512 6.084 -17.737 1.00 19.60 C +ATOM 9 C SER A 2 -15.487 5.879 -16.803 1.00 15.77 C +ATOM 10 O SER A 2 -14.657 5.989 -15.980 1.00 15.59 O +ATOM 11 CB SER A 2 -15.546 5.003 -18.331 1.00 21.44 C +ATOM 12 OG SER A 2 -14.973 4.319 -17.652 1.00 23.00 O +ATOM 13 H SER A 2 -14.151 6.589 -17.507 1.00 24.46 H +ATOM 14 HA SER A 2 -16.136 6.383 -18.174 1.00 23.52 H +ATOM 15 HB2 SER A 2 -16.266 4.632 -18.796 1.00 25.73 H +ATOM 16 HB3 SER A 2 -15.241 5.153 -18.711 1.00 25.73 H +ATOM 17 HG SER A 2 -14.993 3.739 -17.975 1.00 27.59 H +ATOM 18 N PRO A 3 -16.399 5.574 -16.924 1.00 13.73 N +ATOM 19 CA PRO A 3 -16.402 5.463 -16.020 1.00 13.44 C +ATOM 20 C PRO A 3 -15.782 4.611 -15.453 1.00 10.34 C +ATOM 21 O PRO A 3 -15.224 4.838 -14.511 1.00 10.93 O +ATOM 22 CB PRO A 3 -17.562 5.143 -16.443 1.00 14.61 C +ATOM 23 CG PRO A 3 -18.107 4.842 -17.582 1.00 15.04 C +ATOM 24 CD PRO A 3 -17.456 5.476 -17.837 1.00 14.73 C +ATOM 25 HA PRO A 3 -16.125 6.173 -15.544 1.00 16.13 H +ATOM 26 HB2 PRO A 3 -17.667 4.521 -16.179 1.00 17.53 H +ATOM 27 HB3 PRO A 3 -17.802 5.762 -16.251 1.00 17.53 H +ATOM 28 HG2 PRO A 3 -18.164 4.062 -17.788 1.00 18.05 H +ATOM 29 HG3 PRO A 3 -18.793 5.040 -17.907 1.00 18.05 H +ATOM 30 HD2 PRO A 3 -17.515 5.072 -18.436 1.00 17.68 H +ATOM 31 HD3 PRO A 3 -17.640 6.194 -17.928 1.00 17.68 H +ATOM 32 N LEU A 4 -15.853 3.659 -15.986 1.00 10.28 N +ATOM 33 CA LEU A 4 -15.286 2.845 -15.440 1.00 8.59 C +ATOM 34 C LEU A 4 -14.117 3.151 -14.984 1.00 8.72 C +ATOM 35 O LEU A 4 -13.479 2.842 -14.211 1.00 8.50 O +ATOM 36 CB LEU A 4 -15.780 1.692 -16.120 1.00 9.10 C +ATOM 37 CG LEU A 4 -16.906 1.326 -16.426 1.00 9.29 C +ATOM 38 CD1 LEU A 4 -17.386 0.221 -17.172 1.00 11.81 C +ATOM 39 CD2 LEU A 4 -16.978 1.280 -15.506 1.00 12.52 C +ATOM 40 H LEU A 4 -16.213 3.470 -16.642 1.00 12.33 H +ATOM 41 HA LEU A 4 -15.358 2.841 -14.863 1.00 10.30 H +ATOM 42 HB2 LEU A 4 -15.796 1.687 -16.740 1.00 10.91 H +ATOM 43 HB3 LEU A 4 -15.366 1.172 -15.752 1.00 10.91 H +ATOM 44 HG LEU A 4 -17.318 1.856 -16.779 1.00 11.15 H +ATOM 45 HD11 LEU A 4 -18.085 0.008 -17.353 1.00 14.18 H +ATOM 46 HD12 LEU A 4 -17.392 0.291 -17.771 1.00 14.18 H +ATOM 47 HD13 LEU A 4 -16.974 -0.312 -16.849 1.00 14.18 H +ATOM 48 HD21 LEU A 4 -17.694 1.048 -15.744 1.00 15.02 H +ATOM 49 HD22 LEU A 4 -16.567 0.768 -15.137 1.00 15.02 H +ATOM 50 HD23 LEU A 4 -16.716 1.997 -15.073 1.00 15.02 H +ATOM 51 N ALA A 5 -13.827 3.775 -15.442 1.00 9.44 N +ATOM 52 CA ALA A 5 -12.726 4.196 -14.988 1.00 10.56 C +ATOM 53 C ALA A 5 -12.280 5.087 -14.026 1.00 9.44 C +ATOM 54 O ALA A 5 -11.422 5.104 -13.237 1.00 10.54 O +ATOM 55 CB ALA A 5 -12.575 4.641 -15.765 1.00 14.19 C +ATOM 56 H ALA A 5 -14.249 3.964 -16.009 1.00 11.33 H +ATOM 57 HA ALA A 5 -12.336 3.595 -14.789 1.00 12.67 H +ATOM 58 HB1 ALA A 5 -11.845 4.913 -15.449 1.00 17.02 H +ATOM 59 HB2 ALA A 5 -12.823 4.060 -16.343 1.00 17.02 H +ATOM 60 HB3 ALA A 5 -12.962 5.224 -15.976 1.00 17.02 H +ATOM 61 N GLN A 6 -12.868 5.826 -14.097 1.00 9.36 N +ATOM 62 CA AGLN A 6 -14.648 10.942 -14.016 0.37 9.70 C +ATOM 63 CA BGLN A 6 -14.637 10.939 -14.024 0.63 9.38 C +ATOM 64 C GLN A 6 -12.414 6.236 -12.339 1.00 8.42 C +ATOM 65 O GLN A 6 -11.708 6.669 -11.455 1.00 9.62 O +ATOM 66 CB AGLN A 6 -15.853 11.873 -14.104 0.37 12.13 C +ATOM 67 CB BGLN A 6 -15.833 11.875 -14.128 0.63 12.00 C +ATOM 68 CG AGLN A 6 -15.634 13.060 -15.020 0.37 14.37 C +ATOM 69 CG BGLN A 6 -15.785 12.992 -13.116 0.63 14.74 C +ATOM 70 CD AGLN A 6 -14.575 14.008 -14.497 0.37 16.39 C +ATOM 71 CD BGLN A 6 -14.501 13.802 -13.202 0.63 17.21 C +ATOM 72 OE1AGLN A 6 -13.597 14.304 -15.179 0.37 17.46 O +ATOM 73 OE1BGLN A 6 -14.158 14.340 -14.255 0.63 19.96 O +ATOM 74 NE2AGLN A 6 -14.770 14.496 -13.280 0.37 16.30 N +ATOM 75 NE2BGLN A 6 -13.785 13.893 -12.088 0.63 18.39 N +ATOM 76 H AGLN A 6 -15.228 10.221 -15.754 0.37 10.86 H +ATOM 77 H BGLN A 6 -15.232 10.220 -15.751 0.63 10.60 H +ATOM 78 HA AGLN A 6 -13.837 11.490 -13.963 0.37 11.64 H +ATOM 79 HA BGLN A 6 -13.823 11.481 -13.973 0.63 11.25 H +ATOM 80 HB2AGLN A 6 -16.612 11.373 -14.443 0.37 14.56 H +ATOM 81 HB2BGLN A 6 -15.848 12.272 -15.013 0.63 14.40 H +ATOM 82 HB3AGLN A 6 -16.052 12.214 -13.218 0.37 14.56 H +ATOM 83 HB3BGLN A 6 -16.646 11.368 -13.977 0.63 14.40 H +ATOM 84 HG2AGLN A 6 -15.348 12.740 -15.890 0.37 17.24 H +ATOM 85 HG2BGLN A 6 -16.531 13.592 -13.272 0.63 17.69 H +ATOM 86 HG3AGLN A 6 -16.465 13.553 -15.104 0.37 17.24 H +ATOM 87 HG3BGLN A 6 -15.843 12.614 -12.225 0.63 17.69 H +ATOM 88 HE21AGLN A 6 -15.469 14.271 -12.832 0.37 19.55 H +ATOM 89 HE21BGLN A 6 -14.056 13.504 -11.371 0.63 22.07 H +ATOM 90 HE22AGLN A 6 -14.197 15.039 -12.938 0.37 19.55 H +ATOM 91 HE22BGLN A 6 -13.050 14.340 -12.084 0.63 22.07 H +ATOM 92 N GLN A 7 -13.090 5.348 -12.567 1.00 7.47 N +ATOM 93 CA GLN A 7 -13.019 4.825 -11.775 1.00 7.45 C +ATOM 94 C GLN A 7 -11.967 4.482 -11.150 1.00 6.78 C +ATOM 95 O GLN A 7 -11.452 4.721 -10.206 1.00 6.98 O +ATOM 96 CB GLN A 7 -13.875 3.824 -12.254 1.00 7.77 C +ATOM 97 CG GLN A 7 -13.792 3.191 -11.479 1.00 8.93 C +ATOM 98 CD GLN A 7 -14.677 2.239 -11.925 1.00 8.02 C +ATOM 99 OE1 GLN A 7 -14.963 1.582 -12.722 1.00 9.12 O +ATOM 100 NE2 GLN A 7 -15.135 2.164 -11.427 1.00 8.46 N +ATOM 101 H GLN A 7 -13.596 5.033 -13.176 1.00 8.96 H +ATOM 102 HA GLN A 7 -13.109 5.336 -11.317 1.00 8.94 H +ATOM 103 HB2 GLN A 7 -14.546 4.054 -12.584 1.00 9.32 H +ATOM 104 HB3 GLN A 7 -13.827 3.342 -12.752 1.00 9.32 H +ATOM 105 HG2 GLN A 7 -13.148 2.906 -11.182 1.00 10.71 H +ATOM 106 HG3 GLN A 7 -13.791 3.677 -10.951 1.00 10.71 H +ATOM 107 HE21 GLN A 7 -14.922 2.643 -10.883 1.00 10.15 H +ATOM 108 HE22 GLN A 7 -15.646 1.637 -11.645 1.00 10.15 H +ATOM 109 N ILE A 8 -11.641 3.921 -11.663 1.00 6.97 N +ATOM 110 CA AILE A 8 -12.149 6.580 -11.754 0.39 7.31 C +ATOM 111 CA BILE A 8 -12.105 6.613 -11.855 0.61 8.01 C +ATOM 112 C ILE A 8 -9.735 4.528 -10.543 1.00 7.63 C +ATOM 113 O ILE A 8 -8.978 4.533 -9.680 1.00 8.45 O +ATOM 114 CB AILE A 8 -11.513 5.573 -12.777 0.39 7.00 C +ATOM 115 CB BILE A 8 -11.483 6.015 -13.107 0.61 9.58 C +ATOM 116 CG1AILE A 8 -11.516 6.115 -14.207 0.39 6.59 C +ATOM 117 CG1BILE A 8 -12.235 4.728 -13.434 0.61 9.86 C +ATOM 118 CG2AILE A 8 -12.248 4.238 -12.709 0.39 6.96 C +ATOM 119 CG2BILE A 8 -9.994 5.786 -12.900 0.61 10.62 C +ATOM 120 CD1AILE A 8 -10.754 5.231 -15.189 0.39 8.67 C +ATOM 121 CD1BILE A 8 -11.912 4.152 -14.790 0.61 9.87 C +ATOM 122 H AILE A 8 -13.606 7.071 -13.010 0.39 7.97 H +ATOM 123 H BILE A 8 -13.645 7.051 -13.000 0.61 7.75 H +ATOM 124 HA AILE A 8 -12.317 6.050 -10.947 0.39 8.77 H +ATOM 125 HA BILE A 8 -12.174 5.907 -11.179 0.61 9.61 H +ATOM 126 HB AILE A 8 -10.592 5.422 -12.515 0.39 8.40 H +ATOM 127 HB BILE A 8 -11.602 6.638 -13.840 0.61 11.50 H +ATOM 128 HG12AILE A 8 -12.433 6.182 -14.516 0.39 7.90 H +ATOM 129 HG12BILE A 8 -12.011 4.059 -12.768 0.61 11.83 H +ATOM 130 HG13AILE A 8 -11.101 6.992 -14.212 0.39 7.90 H +ATOM 131 HG13BILE A 8 -13.188 4.909 -13.409 0.61 11.83 H +ATOM 132 HG21AILE A 8 -11.851 3.631 -13.338 0.39 8.35 H +ATOM 133 HG21BILE A 8 -9.623 5.409 -13.701 0.61 12.74 H +ATOM 134 HG22AILE A 8 -12.172 3.884 -11.819 0.39 8.35 H +ATOM 135 HG22BILE A 8 -9.573 6.627 -12.708 0.61 12.74 H +ATOM 136 HG23AILE A 8 -13.172 4.379 -12.928 0.39 8.35 H +ATOM 137 HG23BILE A 8 -9.870 5.182 -12.165 0.61 12.74 H +ATOM 138 HD11AILE A 8 -10.795 5.627 -16.063 0.39 10.40 H +ATOM 139 HD11BILE A 8 -12.423 3.349 -14.918 0.61 11.84 H +ATOM 140 HD12AILE A 8 -9.840 5.162 -14.903 0.39 10.40 H +ATOM 141 HD12BILE A 8 -12.140 4.796 -15.465 0.61 11.84 H +ATOM 142 HD13AILE A 8 -11.158 4.360 -15.205 0.39 10.40 H +ATOM 143 HD13BILE A 8 -10.974 3.953 -14.829 0.61 11.84 H +ATOM 144 N LYS A 9 -9.817 5.369 -10.998 1.00 7.81 N +ATOM 145 CA LYS A 9 -9.021 6.363 -10.463 1.00 9.01 C +ATOM 146 C LYS A 9 -8.906 6.851 -9.461 1.00 8.15 C +ATOM 147 O LYS A 9 -8.045 7.190 -8.670 1.00 8.56 O +ATOM 148 CB LYS A 9 -9.287 7.206 -11.140 1.00 11.14 C +ATOM 149 CG LYS A 9 -8.470 8.240 -10.628 1.00 13.84 C +ATOM 150 CD LYS A 9 -8.670 9.010 -11.350 1.00 16.60 C +ATOM 151 CE LYS A 9 -7.894 10.088 -10.783 1.00 19.42 C +ATOM 152 NZ LYS A 9 -8.068 10.881 -11.458 1.00 21.47 N +ATOM 153 H LYS A 9 -10.319 5.388 -11.607 1.00 9.37 H +ATOM 154 HA LYS A 9 -8.349 6.181 -10.295 1.00 10.82 H +ATOM 155 HB2 LYS A 9 -9.341 6.891 -11.762 1.00 13.37 H +ATOM 156 HB3 LYS A 9 -9.946 7.405 -11.304 1.00 13.37 H +ATOM 157 HG2 LYS A 9 -8.474 8.620 -10.058 1.00 16.61 H +ATOM 158 HG3 LYS A 9 -7.791 8.046 -10.388 1.00 16.61 H +ATOM 159 HD2 LYS A 9 -8.590 8.676 -11.885 1.00 19.91 H +ATOM 160 HD3 LYS A 9 -9.369 9.166 -11.642 1.00 19.91 H +ATOM 161 HE2 LYS A 9 -7.963 10.423 -10.240 1.00 23.31 H +ATOM 162 HE3 LYS A 9 -7.193 9.941 -10.497 1.00 23.31 H +ATOM 163 HZ1 LYS A 9 -8.003 10.596 -11.960 1.00 25.76 H +ATOM 164 HZ2 LYS A 9 -8.705 11.036 -11.727 1.00 25.76 H +ATOM 165 HZ3 LYS A 9 -7.601 11.498 -11.099 1.00 25.76 H +ATOM 166 N ASN A 10 -9.785 6.896 -9.512 1.00 7.62 N +ATOM 167 CA ASN A 10 -9.761 7.358 -8.611 1.00 7.46 C +ATOM 168 C ASN A 10 -9.326 6.656 -7.801 1.00 6.72 C +ATOM 169 O ASN A 10 -8.743 7.098 -6.890 1.00 6.91 O +ATOM 170 CB ASN A 10 -10.841 7.529 -8.902 1.00 9.03 C +ATOM 171 CG ASN A 10 -11.170 8.473 -9.444 1.00 11.76 C +ATOM 172 OD1 ASN A 10 -10.524 9.169 -9.398 1.00 14.41 O +ATOM 173 ND2 ASN A 10 -12.170 8.511 -9.949 1.00 11.34 N +ATOM 174 H ASN A 10 -10.401 6.667 -10.055 1.00 9.15 H +ATOM 175 HA ASN A 10 -9.304 8.079 -8.306 1.00 8.95 H +ATOM 176 HB2 ASN A 10 -11.343 6.870 -9.357 1.00 10.83 H +ATOM 177 HB3 ASN A 10 -10.842 7.686 -8.288 1.00 10.83 H +ATOM 178 HD21 ASN A 10 -12.598 8.016 -9.958 1.00 13.61 H +ATOM 179 HD22 ASN A 10 -12.398 9.033 -10.270 1.00 13.61 H +ATOM 180 N ILE A 11 -9.604 5.571 -8.115 1.00 6.37 N +ATOM 181 CA ILE A 11 -9.148 4.864 -7.376 1.00 6.06 C +ATOM 182 C ILE A 11 -7.964 5.080 -6.852 1.00 5.89 C +ATOM 183 O ILE A 11 -7.375 5.152 -5.927 1.00 6.64 O +ATOM 184 CB ILE A 11 -9.604 3.633 -7.863 1.00 6.50 C +ATOM 185 CG1 ILE A 11 -10.769 3.399 -8.277 1.00 7.02 C +ATOM 186 CG2 ILE A 11 -8.996 2.940 -7.085 1.00 7.89 C +ATOM 187 CD1 ILE A 11 -11.328 2.267 -8.966 1.00 7.53 C +ATOM 188 H ILE A 11 -10.044 5.230 -8.737 1.00 7.64 H +ATOM 189 HA ILE A 11 -9.291 5.057 -6.850 1.00 7.27 H +ATOM 190 HB ILE A 11 -9.529 3.452 -8.431 1.00 7.80 H +ATOM 191 HG12 ILE A 11 -10.846 3.444 -7.706 1.00 8.42 H +ATOM 192 HG13 ILE A 11 -11.105 3.942 -8.672 1.00 8.42 H +ATOM 193 HG21 ILE A 11 -9.288 2.179 -7.397 1.00 9.47 H +ATOM 194 HG22 ILE A 11 -8.279 3.084 -6.870 1.00 9.47 H +ATOM 195 HG23 ILE A 11 -9.046 3.130 -6.509 1.00 9.47 H +ATOM 196 HD11 ILE A 11 -12.050 2.176 -9.197 1.00 9.03 H +ATOM 197 HD12 ILE A 11 -11.268 2.212 -9.541 1.00 9.03 H +ATOM 198 HD13 ILE A 11 -11.011 1.719 -8.585 1.00 9.03 H +ATOM 199 N HIS A 12 -7.612 5.193 -7.439 1.00 6.16 N +ATOM 200 CA HIS A 12 -6.508 5.425 -7.022 1.00 7.35 C +ATOM 201 C HIS A 12 -5.989 6.504 -6.227 1.00 6.96 C +ATOM 202 O HIS A 12 -5.164 6.562 -5.399 1.00 7.32 O +ATOM 203 CB HIS A 12 -6.340 5.470 -7.877 1.00 7.92 C +ATOM 204 CG HIS A 12 -5.222 5.782 -7.493 1.00 7.89 C +ATOM 205 ND1 HIS A 12 -4.777 6.828 -7.397 1.00 9.12 N +ATOM 206 CD2 HIS A 12 -4.441 5.199 -7.129 1.00 8.78 C +ATOM 207 CE1 HIS A 12 -3.769 6.872 -6.999 1.00 9.31 C +ATOM 208 NE2 HIS A 12 -3.546 5.896 -6.828 1.00 8.42 N +ATOM 209 H HIS A 12 -8.004 5.137 -8.090 1.00 7.40 H +ATOM 210 HA HIS A 12 -6.182 4.836 -6.683 1.00 8.82 H +ATOM 211 HB2 HIS A 12 -6.605 4.753 -8.325 1.00 9.51 H +ATOM 212 HB3 HIS A 12 -6.709 6.010 -8.255 1.00 9.51 H +ATOM 213 HD1 HIS A 12 -5.102 7.368 -7.565 1.00 10.94 H +ATOM 214 HD2 HIS A 12 -4.499 4.464 -7.087 1.00 10.53 H +ATOM 215 HE1 HIS A 12 -3.299 7.486 -6.870 1.00 11.17 H +ATOM 216 N SER A 13 -6.480 7.351 -6.455 1.00 7.01 N +ATOM 217 CA ASER A 13 -8.623 11.364 -5.525 0.71 7.95 C +ATOM 218 CA BSER A 13 -8.618 11.359 -5.526 0.29 7.58 C +ATOM 219 C SER A 13 -6.012 8.208 -4.742 1.00 6.62 C +ATOM 220 O SER A 13 -5.241 8.645 -3.896 1.00 7.18 O +ATOM 221 CB ASER A 13 -9.611 12.479 -5.877 0.71 8.54 C +ATOM 222 CB BSER A 13 -9.610 12.467 -5.870 0.29 8.17 C +ATOM 223 OG ASER A 13 -9.259 13.112 -7.100 0.71 10.38 O +ATOM 224 OG BSER A 13 -9.516 13.526 -4.935 0.29 9.47 O +ATOM 225 H ASER A 13 -9.273 10.396 -7.125 0.71 7.70 H +ATOM 226 H BSER A 13 -9.274 10.397 -7.124 0.29 8.12 H +ATOM 227 HA ASER A 13 -7.720 11.747 -5.536 0.71 9.53 H +ATOM 228 HA BSER A 13 -7.717 11.743 -5.539 0.29 9.09 H +ATOM 229 HB2ASER A 13 -10.498 12.097 -5.964 0.71 10.25 H +ATOM 230 HB2BSER A 13 -9.409 12.808 -6.756 0.29 9.81 H +ATOM 231 HB3ASER A 13 -9.605 13.141 -5.167 0.71 10.25 H +ATOM 232 HB3BSER A 13 -10.510 12.105 -5.850 0.29 9.81 H +ATOM 233 HG ASER A 13 -9.797 13.705 -7.274 0.71 12.46 H +ATOM 234 HG BSER A 13 -8.944 13.354 -4.373 0.29 11.36 H +ATOM 235 N PHE A 14 -6.814 7.575 -4.861 1.00 6.35 N +ATOM 236 CA PHE A 14 -6.802 7.382 -3.971 1.00 7.07 C +ATOM 237 C PHE A 14 -5.971 6.725 -3.348 1.00 6.30 C +ATOM 238 O PHE A 14 -5.539 6.886 -2.422 1.00 7.06 O +ATOM 239 CB PHE A 14 -7.872 6.828 -4.271 1.00 6.54 C +ATOM 240 CG PHE A 14 -8.655 7.577 -4.579 1.00 7.13 C +ATOM 241 CD1 PHE A 14 -8.419 8.583 -3.951 1.00 8.00 C +ATOM 242 CD2 PHE A 14 -9.624 7.282 -5.491 1.00 7.68 C +ATOM 243 CE1 PHE A 14 -9.133 9.278 -4.228 1.00 9.14 C +ATOM 244 CE2 PHE A 14 -10.344 7.985 -5.764 1.00 9.66 C +ATOM 245 CZ PHE A 14 -10.092 8.978 -5.129 1.00 9.61 C +ATOM 246 H PHE A 14 -7.367 7.250 -5.439 1.00 7.62 H +ATOM 247 HA PHE A 14 -6.632 8.094 -3.526 1.00 8.49 H +ATOM 248 HB2 PHE A 14 -8.142 6.222 -4.845 1.00 7.85 H +ATOM 249 HB3 PHE A 14 -7.800 6.558 -3.694 1.00 7.85 H +ATOM 250 HD1 PHE A 14 -7.770 8.795 -3.337 1.00 9.60 H +ATOM 251 HD2 PHE A 14 -9.797 6.609 -5.921 1.00 9.21 H +ATOM 252 HE1 PHE A 14 -8.964 9.951 -3.798 1.00 10.97 H +ATOM 253 HE2 PHE A 14 -10.995 7.782 -6.378 1.00 11.59 H +ATOM 254 HZ PHE A 14 -10.571 9.448 -5.312 1.00 11.53 H +ATOM 255 N ILE A 15 -5.730 5.996 -3.840 1.00 6.16 N +ATOM 256 CA ILE A 15 -4.869 5.429 -3.267 1.00 6.63 C +ATOM 257 C ILE A 15 -3.862 6.255 -2.548 1.00 5.92 C +ATOM 258 O ILE A 15 -3.271 6.183 -1.650 1.00 6.63 O +ATOM 259 CB ILE A 15 -4.753 4.591 -3.987 1.00 7.14 C +ATOM 260 CG1 ILE A 15 -5.634 3.595 -4.472 1.00 7.96 C +ATOM 261 CG2 ILE A 15 -3.691 4.253 -3.403 1.00 8.25 C +ATOM 262 CD1 ILE A 15 -5.758 2.841 -5.358 1.00 9.64 C +ATOM 263 H ILE A 15 -6.046 5.818 -4.493 1.00 7.39 H +ATOM 264 HA ILE A 15 -5.012 5.027 -2.851 1.00 7.95 H +ATOM 265 HB ILE A 15 -4.807 4.932 -4.526 1.00 8.57 H +ATOM 266 HG12 ILE A 15 -5.500 3.171 -3.956 1.00 9.55 H +ATOM 267 HG13 ILE A 15 -6.287 3.852 -4.712 1.00 9.55 H +ATOM 268 HG21 ILE A 15 -3.634 3.733 -3.863 1.00 9.90 H +ATOM 269 HG22 ILE A 15 -3.157 4.891 -3.125 1.00 9.90 H +ATOM 270 HG23 ILE A 15 -3.629 3.927 -2.861 1.00 9.90 H +ATOM 271 HD11 ILE A 15 -6.324 2.244 -5.611 1.00 11.57 H +ATOM 272 HD12 ILE A 15 -5.903 3.242 -5.884 1.00 11.57 H +ATOM 273 HD13 ILE A 15 -5.122 2.567 -5.133 1.00 11.57 H +ATOM 274 N HIS A 16 -3.650 7.042 -2.929 1.00 6.36 N +ATOM 275 CA HIS A 16 -2.684 7.842 -2.285 1.00 7.33 C +ATOM 276 C HIS A 16 -2.671 8.616 -1.457 1.00 6.32 C +ATOM 277 O HIS A 16 -1.854 8.934 -0.607 1.00 7.66 O +ATOM 278 CB HIS A 16 -2.449 8.439 -2.934 1.00 7.74 C +ATOM 279 CG HIS A 16 -2.088 7.721 -3.455 1.00 8.08 C +ATOM 280 ND1 HIS A 16 -1.144 7.381 -2.922 1.00 9.26 N +ATOM 281 CD2 HIS A 16 -2.582 7.166 -4.429 1.00 8.15 C +ATOM 282 CE1 HIS A 16 -1.053 6.692 -3.561 1.00 9.60 C +ATOM 283 NE2 HIS A 16 -1.910 6.557 -4.483 1.00 9.25 N +ATOM 284 H HIS A 16 -4.043 7.133 -3.545 1.00 7.63 H +ATOM 285 HA HIS A 16 -2.117 7.436 -1.932 1.00 8.80 H +ATOM 286 HB2 HIS A 16 -3.078 8.661 -3.451 1.00 9.29 H +ATOM 287 HB3 HIS A 16 -1.904 9.075 -2.501 1.00 9.29 H +ATOM 288 HD1 HIS A 16 -0.682 7.597 -2.278 1.00 11.11 H +ATOM 289 HD2 HIS A 16 -3.240 7.220 -4.971 1.00 9.78 H +ATOM 290 HE1 HIS A 16 -0.475 6.370 -3.393 1.00 11.52 H +ATOM 291 N GLN A 17 -3.570 8.875 -1.667 1.00 7.05 N +ATOM 292 CA GLN A 17 -3.614 9.534 -0.872 1.00 7.60 C +ATOM 293 C GLN A 17 -3.379 8.898 -0.032 1.00 6.61 C +ATOM 294 O GLN A 17 -2.840 9.360 0.872 1.00 7.93 O +ATOM 295 CB GLN A 17 -4.690 9.844 -1.332 1.00 8.96 C +ATOM 296 CG GLN A 17 -4.924 10.663 -2.025 1.00 11.07 C +ATOM 297 CD GLN A 17 -6.034 10.881 -2.498 1.00 15.24 C +ATOM 298 OE1 GLN A 17 -6.471 10.812 -2.042 1.00 18.33 O +ATOM 299 NE2 GLN A 17 -6.493 11.134 -3.410 1.00 17.55 N +ATOM 300 H GLN A 17 -4.154 8.683 -2.252 1.00 8.46 H +ATOM 301 HA GLN A 17 -3.091 10.208 -0.570 1.00 9.12 H +ATOM 302 HB2 GLN A 17 -5.214 9.185 -1.732 1.00 10.75 H +ATOM 303 HB3 GLN A 17 -4.750 10.163 -0.779 1.00 10.75 H +ATOM 304 HG2 GLN A 17 -4.444 11.351 -1.628 1.00 13.29 H +ATOM 305 HG3 GLN A 17 -4.847 10.373 -2.574 1.00 13.29 H +ATOM 306 HE21 GLN A 17 -6.166 11.170 -3.708 1.00 21.06 H +ATOM 307 HE22 GLN A 17 -7.119 11.264 -3.706 1.00 21.06 H +ATOM 308 N ALA A 18 -3.798 7.842 -0.330 1.00 6.49 N +ATOM 309 CA ALA A 18 -3.634 7.165 0.405 1.00 6.85 C +ATOM 310 C ALA A 18 -2.503 7.005 1.020 1.00 6.30 C +ATOM 311 O ALA A 18 -2.062 7.016 1.935 1.00 6.80 O +ATOM 312 CB ALA A 18 -4.386 6.064 -0.142 1.00 7.39 C +ATOM 313 H ALA A 18 -4.181 7.497 -0.956 1.00 7.79 H +ATOM 314 HA ALA A 18 -3.782 7.536 0.883 1.00 8.22 H +ATOM 315 HB1 ALA A 18 -4.267 5.629 0.356 1.00 8.87 H +ATOM 316 HB2 ALA A 18 -5.089 6.195 -0.488 1.00 8.87 H +ATOM 317 HB3 ALA A 18 -4.263 5.695 -0.626 1.00 8.87 H +ATOM 318 N LYS A 19 -2.015 6.886 0.542 1.00 6.36 N +ATOM 319 CA LYS A 19 -0.905 6.811 1.117 1.00 6.45 C +ATOM 320 C LYS A 19 -0.234 7.867 1.904 1.00 6.87 C +ATOM 321 O LYS A 19 0.491 7.836 2.772 1.00 7.34 O +ATOM 322 CB LYS A 19 -0.547 6.582 0.394 1.00 7.06 C +ATOM 323 CG LYS A 19 -0.944 5.428 -0.251 1.00 7.44 C +ATOM 324 CD LYS A 19 -0.560 5.302 -0.956 1.00 9.34 C +ATOM 325 CE LYS A 19 -0.768 4.144 -1.481 1.00 10.11 C +ATOM 326 NZ LYS A 19 -0.321 4.120 -2.118 1.00 12.42 N +ATOM 327 H LYS A 19 -2.300 6.848 -0.102 1.00 7.64 H +ATOM 328 HA LYS A 19 -0.796 6.207 1.480 1.00 7.74 H +ATOM 329 HB2 LYS A 19 -0.788 7.086 -0.068 1.00 8.47 H +ATOM 330 HB3 LYS A 19 0.209 6.700 0.796 1.00 8.47 H +ATOM 331 HG2 LYS A 19 -0.686 4.905 0.191 1.00 8.93 H +ATOM 332 HG3 LYS A 19 -1.701 5.287 -0.667 1.00 8.93 H +ATOM 333 HD2 LYS A 19 -0.911 5.730 -1.477 1.00 11.21 H +ATOM 334 HD3 LYS A 19 0.188 5.565 -0.558 1.00 11.21 H +ATOM 335 HE2 LYS A 19 -0.429 3.694 -0.979 1.00 12.14 H +ATOM 336 HE3 LYS A 19 -1.514 3.872 -1.924 1.00 12.14 H +ATOM 337 HZ1 LYS A 19 -0.434 3.436 -2.442 1.00 14.91 H +ATOM 338 HZ2 LYS A 19 -0.620 4.536 -2.578 1.00 14.91 H +ATOM 339 HZ3 LYS A 19 0.363 4.373 -1.722 1.00 14.91 H +ATOM 340 N ALA A 20 -0.468 8.800 1.597 1.00 7.26 N +ATOM 341 CA ALA A 20 0.118 9.860 2.290 1.00 9.09 C +ATOM 342 C ALA A 20 0.003 10.047 3.190 1.00 8.03 C +ATOM 343 O ALA A 20 0.656 10.711 3.980 1.00 9.79 O +ATOM 344 CB ALA A 20 -0.221 10.780 1.704 1.00 11.44 C +ATOM 345 H ALA A 20 -0.962 8.845 0.992 1.00 8.71 H +ATOM 346 HA ALA A 20 0.860 9.882 2.566 1.00 10.91 H +ATOM 347 HB1 ALA A 20 0.169 11.469 2.168 1.00 13.73 H +ATOM 348 HB2 ALA A 20 -0.089 10.679 1.176 1.00 13.73 H +ATOM 349 HB3 ALA A 20 -0.953 10.758 1.408 1.00 13.73 H +ATOM 350 N ALA A 21 -0.839 9.471 3.059 1.00 7.43 N +ATOM 351 CA ALA A 21 -1.006 9.506 3.885 1.00 8.21 C +ATOM 352 C ALA A 21 -0.706 8.521 4.395 1.00 7.51 C +ATOM 353 O ALA A 21 -0.901 8.362 5.029 1.00 9.70 O +ATOM 354 CB ALA A 21 -2.129 9.588 3.503 1.00 9.86 C +ATOM 355 H ALA A 21 -1.330 9.050 2.492 1.00 8.91 H +ATOM 356 HA ALA A 21 -0.561 10.166 4.409 1.00 9.85 H +ATOM 357 HB1 ALA A 21 -2.215 9.609 4.062 1.00 11.84 H +ATOM 358 HB2 ALA A 21 -2.282 10.246 3.241 1.00 11.84 H +ATOM 359 HB3 ALA A 21 -2.583 8.960 2.973 1.00 11.84 H +ATOM 360 N GLY A 22 -0.213 7.868 4.142 1.00 7.73 N +ATOM 361 CA GLY A 22 0.173 6.970 4.658 1.00 8.18 C +ATOM 362 C GLY A 22 -0.673 6.124 4.533 1.00 8.69 C +ATOM 363 O GLY A 22 -0.497 5.662 5.237 1.00 10.54 O +ATOM 364 H GLY A 22 -0.092 7.928 3.678 1.00 9.27 H +ATOM 365 HA2 GLY A 22 0.532 6.601 4.393 1.00 9.82 H +ATOM 366 HA3 GLY A 22 0.671 7.263 5.382 1.00 9.82 H +ATOM 367 N ARG A 23 -1.584 5.900 3.636 1.00 8.43 N +ATOM 368 CA ARG A 23 -2.462 5.143 3.458 1.00 9.81 C +ATOM 369 C ARG A 23 -2.588 4.057 2.828 1.00 10.01 C +ATOM 370 O ARG A 23 -3.206 3.825 1.893 1.00 11.28 O +ATOM 371 CB ARG A 23 -3.436 5.625 2.925 1.00 10.19 C +ATOM 372 CG ARG A 23 -3.374 6.620 3.600 1.00 10.10 C +ATOM 373 CD ARG A 23 -4.260 7.173 3.016 1.00 11.02 C +ATOM 374 NE ARG A 23 -4.167 8.174 3.652 1.00 11.35 N +ATOM 375 CZ ARG A 23 -4.883 8.797 3.349 1.00 13.49 C +ATOM 376 NH1 ARG A 23 -5.758 8.500 2.431 1.00 16.06 N +ATOM 377 NH2 ARG A 23 -4.726 9.702 3.970 1.00 14.74 N +ATOM 378 H ARG A 23 -1.714 6.175 3.119 1.00 10.12 H +ATOM 379 HA ARG A 23 -2.329 5.021 4.113 1.00 11.77 H +ATOM 380 HB2 ARG A 23 -3.524 5.837 2.320 1.00 12.22 H +ATOM 381 HB3 ARG A 23 -4.031 5.087 2.739 1.00 12.22 H +ATOM 382 HG2 ARG A 23 -3.401 6.406 4.153 1.00 12.12 H +ATOM 383 HG3 ARG A 23 -2.732 7.128 3.868 1.00 12.12 H +ATOM 384 HD2 ARG A 23 -4.265 7.358 2.438 1.00 13.23 H +ATOM 385 HD3 ARG A 23 -4.906 6.694 2.784 1.00 13.23 H +ATOM 386 HE ARG A 23 -3.578 8.422 4.221 1.00 13.62 H +ATOM 387 HH11 ARG A 23 -5.854 7.908 2.027 1.00 19.27 H +ATOM 388 HH12 ARG A 23 -6.229 8.905 2.234 1.00 19.27 H +ATOM 389 HH21 ARG A 23 -4.158 9.885 4.568 1.00 17.68 H +ATOM 390 HH22 ARG A 23 -5.196 10.107 3.782 1.00 17.68 H +ATOM 391 N AMET A 24 -5.487 2.760 6.036 0.77 9.60 N +ATOM 392 N BMET A 24 -5.456 2.779 6.055 0.23 10.54 N +ATOM 393 CA AMET A 24 -4.955 1.744 5.166 0.77 10.79 C +ATOM 394 CA BMET A 24 -4.916 1.680 5.264 0.23 11.38 C +ATOM 395 C AMET A 24 -6.010 0.785 4.629 0.77 9.09 C +ATOM 396 C BMET A 24 -5.999 0.803 4.647 0.23 9.76 C +ATOM 397 O AMET A 24 -5.955 0.394 3.473 0.77 9.64 O +ATOM 398 O BMET A 24 -5.955 0.495 3.457 0.23 9.84 O +ATOM 399 CB AMET A 24 -3.867 0.988 5.892 0.77 14.30 C +ATOM 400 CB BMET A 24 -3.994 0.827 6.141 0.23 14.05 C +ATOM 401 CG AMET A 24 -3.139 0.060 4.996 0.77 16.39 C +ATOM 402 CG BMET A 24 -3.350 -0.344 5.419 0.23 16.08 C +ATOM 403 SD AMET A 24 -1.591 -0.429 5.727 0.77 18.34 S +ATOM 404 SD BMET A 24 -2.299 0.163 4.046 0.23 18.35 S +ATOM 405 CE AMET A 24 -0.562 1.009 5.413 0.77 18.98 C +ATOM 406 CE BMET A 24 -1.015 1.060 4.912 0.23 18.63 C +ATOM 407 H AMET A 24 -5.252 2.687 6.860 0.77 11.52 H +ATOM 408 H BMET A 24 -5.198 2.767 6.875 0.23 12.65 H +ATOM 409 HA AMET A 24 -4.535 2.190 4.401 0.77 12.94 H +ATOM 410 HA BMET A 24 -4.371 2.056 4.541 0.23 13.65 H +ATOM 411 HB2AMET A 24 -3.228 1.621 6.255 0.77 17.16 H +ATOM 412 HB2BMET A 24 -3.282 1.390 6.483 0.23 16.86 H +ATOM 413 HB3AMET A 24 -4.265 0.468 6.607 0.77 17.16 H +ATOM 414 HB3BMET A 24 -4.512 0.469 6.879 0.23 16.86 H +ATOM 415 HG2AMET A 24 -3.675 -0.736 4.851 0.77 19.67 H +ATOM 416 HG2BMET A 24 -2.802 -0.838 6.048 0.23 19.30 H +ATOM 417 HG3AMET A 24 -2.954 0.503 4.153 0.77 19.67 H +ATOM 418 HG3BMET A 24 -4.047 -0.918 5.065 0.23 19.30 H +ATOM 419 HE1AMET A 24 0.314 0.851 5.773 0.77 22.78 H +ATOM 420 HE1BMET A 24 -0.378 1.388 4.273 0.23 22.36 H +ATOM 421 HE2AMET A 24 -0.506 1.152 4.466 0.77 22.78 H +ATOM 422 HE2BMET A 24 -1.413 1.794 5.385 0.23 22.36 H +ATOM 423 HE3AMET A 24 -0.957 1.774 5.838 0.77 22.78 H +ATOM 424 HE3BMET A 24 -0.583 0.466 5.531 0.23 22.36 H +ATOM 425 N ASP A 25 -3.477 1.390 2.573 1.00 8.55 N +ATOM 426 CA ASP A 25 -4.460 0.612 1.999 1.00 8.97 C +ATOM 427 C ASP A 25 -5.269 1.022 1.054 1.00 8.46 C +ATOM 428 O ASP A 25 -5.859 0.372 0.227 1.00 10.21 O +ATOM 429 CB ASP A 25 -4.858 0.392 2.674 1.00 11.46 C +ATOM 430 CG ASP A 25 -5.885 -0.404 2.084 1.00 15.63 C +ATOM 431 OD1 ASP A 25 -5.875 -1.400 1.896 1.00 18.58 O +ATOM 432 OD2 ASP A 25 -6.697 -0.033 1.802 1.00 15.60 O +ATOM 433 H AASP A 25 -7.019 0.616 6.289 0.50 10.26 H +ATOM 434 H BASP A 25 -7.025 0.609 6.290 0.50 10.26 H +ATOM 435 HA ASP A 25 -4.343 -0.086 1.756 1.00 10.77 H +ATOM 436 HB2 ASP A 25 -4.349 0.079 3.229 1.00 13.75 H +ATOM 437 HB3 ASP A 25 -4.960 1.075 2.943 1.00 13.75 H +ATOM 438 N GLU A 26 -5.308 2.086 1.173 1.00 8.28 N +ATOM 439 CA GLU A 26 -6.009 2.556 0.297 1.00 8.94 C +ATOM 440 C GLU A 26 -5.761 2.361 -0.516 1.00 8.28 C +ATOM 441 O GLU A 26 -6.455 2.028 -1.420 1.00 9.04 O +ATOM 442 CB GLU A 26 -5.944 3.787 0.619 1.00 9.32 C +ATOM 443 CG GLU A 26 -6.716 4.270 -0.268 1.00 9.98 C +ATOM 444 CD GLU A 26 -6.679 5.507 -0.017 1.00 9.84 C +ATOM 445 OE1 GLU A 26 -6.078 6.052 0.882 1.00 12.00 O +ATOM 446 OE2 GLU A 26 -7.286 5.910 -0.773 1.00 11.25 O +ATOM 447 H GLU A 26 -4.941 2.550 1.746 1.00 9.93 H +ATOM 448 HA GLU A 26 -6.727 2.189 -0.008 1.00 10.73 H +ATOM 449 HB2 GLU A 26 -6.096 3.897 1.139 1.00 11.18 H +ATOM 450 HB3 GLU A 26 -5.248 4.171 0.886 1.00 11.18 H +ATOM 451 HG2 GLU A 26 -6.582 4.140 -0.800 1.00 11.97 H +ATOM 452 HG3 GLU A 26 -7.415 3.903 -0.525 1.00 11.97 H +ATOM 453 N VAL A 27 -4.765 2.564 -0.196 1.00 7.75 N +ATOM 454 CA VAL A 27 -4.453 2.392 -0.915 1.00 7.89 C +ATOM 455 C VAL A 27 -4.818 1.207 -1.499 1.00 7.94 C +ATOM 456 O VAL A 27 -5.215 0.996 -2.428 1.00 8.89 O +ATOM 457 CB VAL A 27 -3.253 2.727 -0.353 1.00 7.69 C +ATOM 458 CG1 VAL A 27 -2.886 2.320 -1.033 1.00 9.01 C +ATOM 459 CG2 VAL A 27 -2.934 3.969 0.004 1.00 9.04 C +ATOM 460 H VAL A 27 -4.255 2.799 0.431 1.00 9.30 H +ATOM 461 HA VAL A 27 -4.780 2.859 -1.414 1.00 9.46 H +ATOM 462 HB VAL A 27 -2.911 2.398 0.251 1.00 9.23 H +ATOM 463 HG11 VAL A 27 -2.143 2.542 -0.660 1.00 10.82 H +ATOM 464 HG12 VAL A 27 -3.069 1.535 -1.225 1.00 10.82 H +ATOM 465 HG13 VAL A 27 -3.218 2.632 -1.630 1.00 10.82 H +ATOM 466 HG21 VAL A 27 -2.191 4.164 0.349 1.00 10.85 H +ATOM 467 HG22 VAL A 27 -3.276 4.303 -0.580 1.00 10.85 H +ATOM 468 HG23 VAL A 27 -3.139 4.201 0.462 1.00 10.85 H +ATOM 469 N ARG A 28 -4.680 0.437 -0.961 1.00 8.78 N +ATOM 470 CA ARG A 28 -4.956 -0.713 -1.441 1.00 10.83 C +ATOM 471 C ARG A 28 -6.119 -1.026 -2.274 1.00 10.55 C +ATOM 472 O ARG A 28 -6.435 -1.588 -3.121 1.00 10.74 O +ATOM 473 CB ARG A 28 -4.644 -1.411 -0.629 1.00 13.24 C +ATOM 474 CG ARG A 28 -4.981 -2.632 -1.048 1.00 19.74 C +ATOM 475 CD ARG A 28 -4.821 -3.246 -0.223 1.00 24.74 C +ATOM 476 NE ARG A 28 -5.773 -3.996 -0.555 1.00 28.92 N +ATOM 477 CZ ARG A 28 -6.567 -3.695 -0.534 1.00 31.36 C +ATOM 478 NH1 ARG A 28 -6.533 -2.650 -0.197 1.00 32.02 N +ATOM 479 NH2 ARG A 28 -7.402 -4.440 -0.855 1.00 32.65 N +ATOM 480 H ARG A 28 -4.427 0.559 -0.317 1.00 10.53 H +ATOM 481 HA ARG A 28 -4.569 -0.853 -1.758 1.00 12.99 H +ATOM 482 HB2 ARG A 28 -3.891 -1.260 -0.165 1.00 15.89 H +ATOM 483 HB3 ARG A 28 -4.958 -1.212 -0.255 1.00 15.89 H +ATOM 484 HG2 ARG A 28 -5.716 -2.793 -1.593 1.00 23.69 H +ATOM 485 HG3 ARG A 28 -4.568 -2.879 -1.300 1.00 23.69 H +ATOM 486 HD2 ARG A 28 -4.275 -3.671 -0.069 1.00 29.69 H +ATOM 487 HD3 ARG A 28 -4.629 -2.724 0.384 1.00 29.69 H +ATOM 488 HE ARG A 28 -5.823 -4.677 -0.779 1.00 34.70 H +ATOM 489 HH11 ARG A 28 -5.994 -2.166 0.010 1.00 38.43 H +ATOM 490 HH12 ARG A 28 -7.049 -2.461 -0.186 1.00 38.43 H +ATOM 491 HH21 ARG A 28 -7.427 -5.114 -1.073 1.00 39.18 H +ATOM 492 HH22 ARG A 28 -7.917 -4.247 -0.843 1.00 39.18 H +ATOM 493 N THR A 29 -6.755 -0.640 -2.043 1.00 9.58 N +ATOM 494 CA THR A 29 -7.880 -0.887 -2.781 1.00 10.81 C +ATOM 495 C THR A 29 -8.181 -0.358 -3.694 1.00 9.24 C +ATOM 496 O THR A 29 -8.832 -0.870 -4.568 1.00 10.47 O +ATOM 497 CB THR A 29 -8.444 -0.504 -2.262 1.00 12.72 C +ATOM 498 OG1 THR A 29 -8.269 -1.150 -1.516 1.00 15.37 O +ATOM 499 CG2 THR A 29 -9.616 -0.615 -3.044 1.00 14.10 C +ATOM 500 H THR A 29 -6.557 -0.237 -1.467 1.00 11.50 H +ATOM 501 HA THR A 29 -8.103 -1.682 -3.031 1.00 12.97 H +ATOM 502 HB THR A 29 -8.161 0.261 -1.924 1.00 15.27 H +ATOM 503 HG1 THR A 29 -8.563 -0.955 -1.236 1.00 18.45 H +ATOM 504 HG21 THR A 29 -9.948 -0.373 -2.707 1.00 16.92 H +ATOM 505 HG22 THR A 29 -9.737 -0.175 -3.539 1.00 16.92 H +ATOM 506 HG23 THR A 29 -9.917 -1.366 -3.390 1.00 16.92 H +ATOM 507 N LEU A 30 -7.704 0.659 -3.507 1.00 8.52 N +ATOM 508 CA LEU A 30 -7.951 1.201 -4.348 1.00 7.42 C +ATOM 509 C LEU A 30 -7.635 0.641 -5.024 1.00 7.34 C +ATOM 510 O LEU A 30 -8.200 0.526 -5.958 1.00 8.69 O +ATOM 511 CB LEU A 30 -7.428 2.399 -3.948 1.00 7.41 C +ATOM 512 CG LEU A 30 -7.852 3.118 -3.457 1.00 7.45 C +ATOM 513 CD1 LEU A 30 -7.158 4.239 -2.973 1.00 8.59 C +ATOM 514 CD2 LEU A 30 -8.970 3.206 -4.233 1.00 10.54 C +ATOM 515 H LEU A 30 -7.244 1.047 -2.910 1.00 10.22 H +ATOM 516 HA LEU A 30 -8.706 1.171 -4.771 1.00 8.91 H +ATOM 517 HB2 LEU A 30 -6.693 2.441 -3.439 1.00 8.90 H +ATOM 518 HB3 LEU A 30 -7.509 2.704 -4.514 1.00 8.90 H +ATOM 519 HG LEU A 30 -7.834 2.798 -2.924 1.00 8.94 H +ATOM 520 HD11 LEU A 30 -7.424 4.693 -2.663 1.00 10.31 H +ATOM 521 HD12 LEU A 30 -6.463 4.160 -2.464 1.00 10.31 H +ATOM 522 HD13 LEU A 30 -7.156 4.556 -3.492 1.00 10.31 H +ATOM 523 HD21 LEU A 30 -9.212 3.663 -3.899 1.00 12.65 H +ATOM 524 HD22 LEU A 30 -8.996 3.522 -4.765 1.00 12.65 H +ATOM 525 HD23 LEU A 30 -9.392 2.485 -4.514 1.00 12.65 H +ATOM 526 N GLN A 31 -6.731 0.292 -4.555 1.00 8.25 N +ATOM 527 CA GLN A 31 -6.382 -0.298 -5.142 1.00 8.83 C +ATOM 528 C GLN A 31 -7.138 -1.360 -5.838 1.00 9.15 C +ATOM 529 O GLN A 31 -7.372 -1.632 -6.720 1.00 9.65 O +ATOM 530 CB GLN A 31 -5.304 -0.554 -4.424 1.00 10.03 C +ATOM 531 CG GLN A 31 -4.452 0.436 -3.958 1.00 10.61 C +ATOM 532 CD GLN A 31 -3.411 0.217 -3.127 1.00 11.93 C +ATOM 533 OE1 GLN A 31 -3.366 -0.469 -2.619 1.00 12.67 O +ATOM 534 NE2 GLN A 31 -2.568 0.822 -2.960 1.00 14.53 N +ATOM 535 H GLN A 31 -6.307 0.385 -3.903 1.00 9.90 H +ATOM 536 HA GLN A 31 -6.333 0.168 -5.572 1.00 10.60 H +ATOM 537 HB2 GLN A 31 -5.290 -0.832 -3.874 1.00 12.04 H +ATOM 538 HB3 GLN A 31 -5.161 -1.100 -4.804 1.00 12.04 H +ATOM 539 HG2 GLN A 31 -4.377 0.650 -4.484 1.00 12.73 H +ATOM 540 HG3 GLN A 31 -4.633 1.028 -3.658 1.00 12.73 H +ATOM 541 HE21 GLN A 31 -2.630 1.309 -3.317 1.00 17.43 H +ATOM 542 HE22 GLN A 31 -1.958 0.728 -2.496 1.00 17.43 H +ATOM 543 N GLU A 32 -7.522 -1.970 -5.444 1.00 10.04 N +ATOM 544 CA GLU A 32 -8.285 -2.973 -6.058 1.00 11.86 C +ATOM 545 C GLU A 32 -9.243 -2.728 -7.002 1.00 10.53 C +ATOM 546 O GLU A 32 -9.626 -3.305 -7.857 1.00 11.37 O +ATOM 547 CB GLU A 32 -8.605 -3.495 -5.423 1.00 15.43 C +ATOM 548 CG GLU A 32 -7.760 -4.000 -4.608 1.00 22.06 C +ATOM 549 CD GLU A 32 -8.002 -4.308 -3.848 1.00 27.95 C +ATOM 550 OE1 GLU A 32 -7.353 -4.723 -3.140 1.00 30.69 O +ATOM 551 OE2 GLU A 32 -8.835 -4.128 -3.950 1.00 29.73 O +ATOM 552 H GLU A 32 -7.351 -1.821 -4.823 1.00 12.04 H +ATOM 553 HA GLU A 32 -7.977 -3.494 -6.286 1.00 14.24 H +ATOM 554 HB2 GLU A 32 -8.779 -2.938 -5.084 1.00 18.52 H +ATOM 555 HB3 GLU A 32 -9.209 -4.071 -5.876 1.00 18.52 H +ATOM 556 HG2 GLU A 32 -7.684 -4.661 -4.936 1.00 26.47 H +ATOM 557 HG3 GLU A 32 -7.110 -3.478 -4.230 1.00 26.47 H +ATOM 558 N ASN A 33 -9.647 -1.889 -6.848 1.00 9.38 N +ATOM 559 CA ASN A 33 -10.565 -1.601 -7.705 1.00 9.60 C +ATOM 560 C ASN A 33 -10.334 -1.218 -8.450 1.00 8.40 C +ATOM 561 O ASN A 33 -10.954 -1.531 -9.379 1.00 9.41 O +ATOM 562 CB ASN A 33 -10.971 -0.715 -7.325 1.00 12.31 C +ATOM 563 CG ASN A 33 -11.562 -1.159 -6.879 1.00 16.30 C +ATOM 564 OD1 ASN A 33 -12.486 -1.611 -7.449 1.00 20.45 O +ATOM 565 ND2 ASN A 33 -11.042 -1.009 -5.868 1.00 18.11 N +ATOM 566 H ASN A 33 -9.408 -1.477 -6.264 1.00 11.26 H +ATOM 567 HA ASN A 33 -11.118 -2.252 -8.077 1.00 11.52 H +ATOM 568 HB2 ASN A 33 -10.385 -0.157 -6.795 1.00 14.77 H +ATOM 569 HB3 ASN A 33 -11.445 -0.394 -7.893 1.00 14.77 H +ATOM 570 HD21 ASN A 33 -10.403 -0.676 -5.494 1.00 21.73 H +ATOM 571 HD22 ASN A 33 -11.345 -1.246 -5.587 1.00 21.73 H +ATOM 572 N LEU A 34 -9.428 -0.559 -8.043 1.00 7.74 N +ATOM 573 CA LEU A 34 -9.129 -0.172 -8.696 1.00 8.40 C +ATOM 574 C LEU A 34 -9.106 -1.135 -9.380 1.00 8.24 C +ATOM 575 O LEU A 34 -9.514 -1.159 -10.298 1.00 8.35 O +ATOM 576 CB LEU A 34 -8.061 0.575 -8.044 1.00 8.92 C +ATOM 577 CG LEU A 34 -7.630 0.994 -8.637 1.00 10.44 C +ATOM 578 CD1 LEU A 34 -8.393 1.603 -9.406 1.00 12.76 C +ATOM 579 CD2 LEU A 34 -6.547 1.698 -7.932 1.00 12.64 C +ATOM 580 H LEU A 34 -8.976 -0.324 -7.398 1.00 9.29 H +ATOM 581 HA LEU A 34 -9.639 0.251 -9.136 1.00 10.07 H +ATOM 582 HB2 LEU A 34 -8.108 1.210 -7.660 1.00 10.71 H +ATOM 583 HB3 LEU A 34 -7.565 0.173 -7.575 1.00 10.71 H +ATOM 584 HG LEU A 34 -7.571 0.367 -9.018 1.00 12.53 H +ATOM 585 HD11 LEU A 34 -8.115 1.862 -9.772 1.00 15.32 H +ATOM 586 HD12 LEU A 34 -9.046 1.112 -9.871 1.00 15.32 H +ATOM 587 HD13 LEU A 34 -8.488 2.212 -9.048 1.00 15.32 H +ATOM 588 HD21 LEU A 34 -6.313 1.939 -8.339 1.00 15.17 H +ATOM 589 HD22 LEU A 34 -6.581 2.318 -7.536 1.00 15.17 H +ATOM 590 HD23 LEU A 34 -6.080 1.267 -7.489 1.00 15.17 H +ATOM 591 N HIS A 35 -8.629 -1.928 -8.940 1.00 7.85 N +ATOM 592 CA HIS A 35 -8.523 -2.830 -9.531 1.00 9.05 C +ATOM 593 C HIS A 35 -9.580 -3.542 -10.352 1.00 9.76 C +ATOM 594 O HIS A 35 -9.765 -3.922 -11.196 1.00 10.23 O +ATOM 595 CB HIS A 35 -7.754 -3.485 -8.821 1.00 10.84 C +ATOM 596 CG HIS A 35 -6.681 -2.815 -8.072 1.00 10.87 C +ATOM 597 ND1 HIS A 35 -5.949 -3.130 -7.196 1.00 13.37 N +ATOM 598 CD2 HIS A 35 -6.228 -1.835 -8.064 1.00 12.40 C +ATOM 599 CE1 HIS A 35 -5.093 -2.375 -6.679 1.00 13.83 C +ATOM 600 NE2 HIS A 35 -5.240 -1.584 -7.192 1.00 14.22 N +ATOM 601 H HIS A 35 -8.365 -1.962 -8.311 1.00 9.42 H +ATOM 602 HA HIS A 35 -8.230 -2.523 -9.882 1.00 10.85 H +ATOM 603 HB2 HIS A 35 -8.008 -3.766 -8.436 1.00 13.00 H +ATOM 604 HB3 HIS A 35 -7.696 -4.087 -9.226 1.00 13.00 H +ATOM 605 HD1 HIS A 35 -6.039 -3.723 -7.009 1.00 16.04 H +ATOM 606 HD2 HIS A 35 -6.531 -1.413 -8.558 1.00 14.88 H +ATOM 607 HE1 HIS A 35 -4.486 -2.403 -6.065 1.00 16.60 H +ATOM 608 HE2 HIS A 35 -4.790 -1.004 -7.009 1.00 17.07 H +ATOM 609 N GLN A 36 -10.279 -3.703 -10.115 1.00 8.95 N +ATOM 610 CA GLN A 36 -11.336 -4.327 -10.860 1.00 10.70 C +ATOM 611 C GLN A 36 -11.937 -3.754 -11.754 1.00 9.33 C +ATOM 612 O GLN A 36 -12.462 -4.270 -12.651 1.00 9.28 O +ATOM 613 CB GLN A 36 -11.913 -4.453 -10.328 1.00 13.06 C +ATOM 614 CG GLN A 36 -13.074 -4.962 -10.988 1.00 19.49 C +ATOM 615 CD GLN A 36 -13.551 -4.921 -10.355 1.00 24.08 C +ATOM 616 OE1 GLN A 36 -13.076 -4.352 -9.486 1.00 27.20 O +ATOM 617 NE2 GLN A 36 -14.482 -5.540 -10.779 1.00 25.26 N +ATOM 618 H GLN A 36 -10.161 -3.458 -9.523 1.00 10.74 H +ATOM 619 HA GLN A 36 -11.297 -5.059 -11.129 1.00 12.84 H +ATOM 620 HB2 GLN A 36 -11.568 -4.906 -9.830 1.00 15.67 H +ATOM 621 HB3 GLN A 36 -11.852 -3.730 -9.974 1.00 15.67 H +ATOM 622 HG2 GLN A 36 -13.441 -4.559 -11.525 1.00 23.39 H +ATOM 623 HG3 GLN A 36 -13.158 -5.724 -11.280 1.00 23.39 H +ATOM 624 HE21 GLN A 36 -14.788 -5.940 -11.382 1.00 30.31 H +ATOM 625 HE22 GLN A 36 -14.779 -5.542 -10.451 1.00 30.31 H +ATOM 626 N LEU A 37 -11.872 -2.686 -11.513 1.00 7.86 N +ATOM 627 CA LEU A 37 -12.456 -2.084 -12.305 1.00 8.33 C +ATOM 628 C LEU A 37 -11.980 -1.929 -12.917 1.00 8.03 C +ATOM 629 O LEU A 37 -12.542 -1.934 -13.827 1.00 8.95 O +ATOM 630 CB LEU A 37 -12.552 -0.991 -11.841 1.00 8.62 C +ATOM 631 CG LEU A 37 -13.210 -1.088 -11.389 1.00 10.82 C +ATOM 632 CD1 LEU A 37 -13.129 0.030 -10.818 1.00 12.17 C +ATOM 633 CD2 LEU A 37 -14.345 -1.586 -12.215 1.00 13.20 C +ATOM 634 H LEU A 37 -11.501 -2.295 -10.903 1.00 9.43 H +ATOM 635 HA LEU A 37 -13.163 -2.507 -12.780 1.00 9.99 H +ATOM 636 HB2 LEU A 37 -11.859 -0.602 -11.297 1.00 10.34 H +ATOM 637 HB3 LEU A 37 -12.872 -0.566 -12.369 1.00 10.34 H +ATOM 638 HG LEU A 37 -12.940 -1.566 -10.903 1.00 12.98 H +ATOM 639 HD11 LEU A 37 -13.545 -0.047 -10.541 1.00 14.60 H +ATOM 640 HD12 LEU A 37 -12.412 0.306 -10.277 1.00 14.60 H +ATOM 641 HD13 LEU A 37 -13.379 0.519 -11.287 1.00 14.60 H +ATOM 642 HD21 LEU A 37 -14.733 -1.635 -11.906 1.00 15.84 H +ATOM 643 HD22 LEU A 37 -14.622 -1.126 -12.707 1.00 15.84 H +ATOM 644 HD23 LEU A 37 -14.377 -2.304 -12.540 1.00 15.84 H +ATOM 645 N AMET A 38 -10.983 0.347 -13.800 0.75 8.06 N +ATOM 646 N BMET A 38 -10.996 0.329 -13.839 0.25 7.49 N +ATOM 647 CA AMET A 38 -9.949 0.639 -14.803 0.75 8.88 C +ATOM 648 CA BMET A 38 -10.101 0.724 -14.899 0.25 7.19 C +ATOM 649 C AMET A 38 -9.956 -0.411 -15.893 0.75 7.66 C +ATOM 650 C BMET A 38 -9.876 -0.416 -15.908 0.25 7.72 C +ATOM 651 O AMET A 38 -9.870 -0.097 -17.078 0.75 8.11 O +ATOM 652 O BMET A 38 -9.561 -0.157 -17.070 0.25 8.50 O +ATOM 653 CB AMET A 38 -8.553 0.678 -14.161 0.75 10.14 C +ATOM 654 CB BMET A 38 -8.800 1.238 -14.320 0.25 5.75 C +ATOM 655 CG AMET A 38 -8.242 2.001 -13.478 0.75 12.40 C +ATOM 656 CG BMET A 38 -7.667 1.048 -15.253 0.25 20.89 C +ATOM 657 SD AMET A 38 -6.673 1.967 -12.620 0.75 17.82 S +ATOM 658 SD BMET A 38 -6.949 -0.548 -15.025 0.25 10.64 S +ATOM 659 CE AMET A 38 -6.372 3.696 -12.249 0.75 40.24 C +ATOM 660 CE BMET A 38 -5.701 0.035 -13.922 0.25 2.02 C +ATOM 661 H AMET A 38 -10.672 0.253 -13.004 0.75 9.67 H +ATOM 662 H BMET A 38 -10.627 0.172 -13.078 0.25 8.99 H +ATOM 663 HA AMET A 38 -10.126 1.517 -15.201 0.75 10.66 H +ATOM 664 HA BMET A 38 -10.515 1.472 -15.378 0.25 8.63 H +ATOM 665 HB2AMET A 38 -8.495 -0.023 -13.494 0.75 12.17 H +ATOM 666 HB2BMET A 38 -8.886 2.186 -14.137 0.25 6.90 H +ATOM 667 HB3AMET A 38 -7.887 0.534 -14.851 0.75 12.17 H +ATOM 668 HB3BMET A 38 -8.603 0.755 -13.502 0.25 6.90 H +ATOM 669 HG2AMET A 38 -8.205 2.703 -14.146 0.75 14.88 H +ATOM 670 HG2BMET A 38 -7.985 1.115 -16.167 0.25 25.07 H +ATOM 671 HG3AMET A 38 -8.936 2.195 -12.829 0.75 14.88 H +ATOM 672 HG3BMET A 38 -6.989 1.719 -15.079 0.25 25.07 H +ATOM 673 HE1AMET A 38 -5.538 3.774 -11.781 0.75 48.29 H +ATOM 674 HE1BMET A 38 -5.155 -0.705 -13.649 0.25 2.43 H +ATOM 675 HE2AMET A 38 -6.335 4.190 -13.072 0.75 48.29 H +ATOM 676 HE2BMET A 38 -5.164 0.689 -14.375 0.25 2.43 H +ATOM 677 HE3AMET A 38 -7.088 4.026 -11.701 0.75 48.29 H +ATOM 678 HE3BMET A 38 -6.122 0.432 -13.156 0.25 2.43 H +ATOM 679 N HIS A 39 -10.859 -3.712 -13.464 1.00 8.22 N +ATOM 680 CA HIS A 39 -11.192 -4.749 -14.163 1.00 8.65 C +ATOM 681 C HIS A 39 -12.232 -4.754 -15.153 1.00 9.81 C +ATOM 682 O HIS A 39 -12.366 -5.058 -15.992 1.00 10.77 O +ATOM 683 CB HIS A 39 -11.305 -5.698 -13.699 1.00 9.28 C +ATOM 684 CG HIS A 39 -11.891 -6.736 -14.474 1.00 10.46 C +ATOM 685 ND1 HIS A 39 -11.433 -7.403 -14.817 1.00 10.28 N +ATOM 686 CD2 HIS A 39 -12.918 -7.177 -15.030 1.00 12.14 C +ATOM 687 CE1 HIS A 39 -12.149 -8.237 -15.524 1.00 11.92 C +ATOM 688 NE2 HIS A 39 -13.056 -8.119 -15.666 1.00 13.19 N +ATOM 689 H AHIS A 39 -10.113 -1.906 -14.658 0.50 9.86 H +ATOM 690 H BHIS A 39 -10.166 -1.895 -14.661 0.50 9.86 H +ATOM 691 HA HIS A 39 -10.674 -4.853 -14.327 1.00 10.38 H +ATOM 692 HB2 HIS A 39 -10.617 -5.819 -13.190 1.00 11.13 H +ATOM 693 HB3 HIS A 39 -11.680 -5.519 -13.384 1.00 11.13 H +ATOM 694 HD2 HIS A 39 -13.431 -6.904 -14.974 1.00 14.57 H +ATOM 695 HE1 HIS A 39 -12.035 -8.810 -15.865 1.00 14.30 H +ATOM 696 HE2 HIS A 39 -13.639 -8.561 -16.090 1.00 15.83 H +ATOM 697 N GLU A 40 -12.980 -4.431 -15.062 1.00 9.68 N +ATOM 698 CA GLU A 40 -14.011 -4.487 -15.963 1.00 10.44 C +ATOM 699 C GLU A 40 -13.976 -3.621 -16.542 1.00 10.81 C +ATOM 700 O GLU A 40 -14.479 -3.835 -17.479 1.00 14.34 O +ATOM 701 CB GLU A 40 -14.800 -4.341 -15.671 1.00 13.71 C +ATOM 702 CG GLU A 40 -15.933 -4.672 -16.566 1.00 18.17 C +ATOM 703 CD GLU A 40 -16.251 -5.892 -17.051 1.00 22.11 C +ATOM 704 OE1 GLU A 40 -17.002 -6.180 -17.958 1.00 25.56 O +ATOM 705 OE2 GLU A 40 -15.766 -6.561 -16.530 1.00 23.45 O +ATOM 706 H GLU A 40 -12.908 -4.178 -14.493 1.00 11.61 H +ATOM 707 HA GLU A 40 -14.237 -5.208 -16.413 1.00 12.52 H +ATOM 708 HB2 GLU A 40 -14.689 -4.787 -15.176 1.00 16.45 H +ATOM 709 HB3 GLU A 40 -14.688 -3.575 -15.371 1.00 16.45 H +ATOM 710 HG2 GLU A 40 -16.377 -4.499 -16.329 1.00 21.81 H +ATOM 711 HG3 GLU A 40 -16.047 -4.268 -17.088 1.00 21.81 H +ATOM 712 N TYR A 41 -13.391 -2.641 -15.999 1.00 9.61 N +ATOM 713 CA TYR A 41 -13.388 -1.752 -16.503 1.00 10.46 C +ATOM 714 C TYR A 41 -12.848 -1.921 -17.075 1.00 11.10 C +ATOM 715 O TYR A 41 -13.243 -1.736 -17.947 1.00 12.87 O +ATOM 716 CB TYR A 41 -12.897 -0.637 -15.744 1.00 10.56 C +ATOM 717 CG TYR A 41 -13.026 0.281 -16.299 1.00 11.42 C +ATOM 718 CD1 TYR A 41 -13.987 0.606 -16.847 1.00 12.93 C +ATOM 719 CD2 TYR A 41 -12.219 0.789 -16.327 1.00 12.30 C +ATOM 720 CE1 TYR A 41 -14.134 1.414 -17.392 1.00 13.80 C +ATOM 721 CE2 TYR A 41 -12.360 1.606 -16.877 1.00 13.52 C +ATOM 722 CZ TYR A 41 -13.321 1.914 -17.407 1.00 13.78 C +ATOM 723 OH TYR A 41 -13.495 2.714 -17.974 1.00 15.02 O +ATOM 724 H TYR A 41 -12.994 -2.474 -15.343 1.00 11.53 H +ATOM 725 HA TYR A 41 -14.115 -1.716 -17.015 1.00 12.55 H +ATOM 726 HB2 TYR A 41 -13.243 -0.539 -15.386 1.00 12.67 H +ATOM 727 HB3 TYR A 41 -12.158 -0.613 -15.263 1.00 12.67 H +ATOM 728 HD1 TYR A 41 -14.544 0.263 -16.846 1.00 15.52 H +ATOM 729 HD2 TYR A 41 -11.572 0.576 -15.975 1.00 14.76 H +ATOM 730 HE1 TYR A 41 -14.782 1.620 -17.752 1.00 16.55 H +ATOM 731 HE2 TYR A 41 -11.809 1.945 -16.889 1.00 16.23 H +ATOM 732 HH TYR A 41 -13.378 2.536 -18.414 1.00 18.03 H +ATOM 733 N PHE A 42 -11.946 -2.267 -16.593 1.00 10.73 N +ATOM 734 CA PHE A 42 -11.315 -2.334 -17.019 1.00 11.33 C +ATOM 735 C PHE A 42 -11.544 -3.451 -17.688 1.00 13.50 C +ATOM 736 O PHE A 42 -11.118 -3.593 -18.148 1.00 14.51 O +ATOM 737 CB PHE A 42 -10.156 -2.030 -16.171 1.00 11.45 C +ATOM 738 CG PHE A 42 -9.786 -0.828 -15.707 1.00 11.80 C +ATOM 739 CD1 PHE A 42 -9.769 -0.081 -16.272 1.00 13.27 C +ATOM 740 CD2 PHE A 42 -9.432 -0.441 -14.703 1.00 13.84 C +ATOM 741 CE1 PHE A 42 -9.421 1.016 -15.840 1.00 15.03 C +ATOM 742 CE2 PHE A 42 -9.075 0.656 -14.266 1.00 14.93 C +ATOM 743 CZ PHE A 42 -9.077 1.384 -14.840 1.00 14.38 C +ATOM 744 H PHE A 42 -11.680 -2.468 -16.017 1.00 12.87 H +ATOM 745 HA PHE A 42 -11.471 -1.792 -17.453 1.00 13.59 H +ATOM 746 HB2 PHE A 42 -10.019 -2.415 -15.629 1.00 13.74 H +ATOM 747 HB3 PHE A 42 -9.758 -2.249 -16.449 1.00 13.74 H +ATOM 748 HD1 PHE A 42 -10.004 -0.323 -16.952 1.00 15.93 H +ATOM 749 HD2 PHE A 42 -9.431 -0.934 -14.310 1.00 16.61 H +ATOM 750 HE1 PHE A 42 -9.418 1.513 -16.228 1.00 18.03 H +ATOM 751 HE2 PHE A 42 -8.845 0.903 -13.588 1.00 17.92 H +ATOM 752 HZ PHE A 42 -8.839 2.128 -14.550 1.00 17.25 H +ATOM 753 N GLN A 43 -12.203 -4.254 -17.751 1.00 15.70 N +ATOM 754 CA GLN A 43 -12.525 -5.275 -18.487 1.00 19.52 C +ATOM 755 C GLN A 43 -13.264 -5.051 -19.559 1.00 22.96 C +ATOM 756 O GLN A 43 -13.937 -4.504 -19.718 1.00 26.30 O +ATOM 757 CB GLN A 43 -13.028 -6.200 -18.259 1.00 19.11 C +ATOM 758 CG GLN A 43 -14.106 -6.117 -18.504 1.00 26.97 C +ATOM 759 CD GLN A 43 -14.596 -7.111 -18.349 1.00 47.81 C +ATOM 760 OE1 GLN A 43 -14.224 -7.954 -18.246 1.00 46.30 O +ATOM 761 NE2 GLN A 43 -15.432 -7.015 -18.327 1.00 43.25 N +ATOM 762 H GLN A 43 -12.468 -4.237 -17.393 1.00 18.84 H +ATOM 763 HA GLN A 43 -11.911 -5.489 -18.448 1.00 23.43 H +ATOM 764 HB2 GLN A 43 -13.083 -6.890 -18.658 1.00 22.94 H +ATOM 765 HB3 GLN A 43 -12.584 -6.207 -17.538 1.00 22.94 H +ATOM 766 HG2 GLN A 43 -14.059 -5.474 -18.058 1.00 32.36 H +ATOM 767 HG3 GLN A 43 -14.554 -6.059 -19.213 1.00 32.36 H +ATOM 768 HE21 GLN A 43 -15.669 -6.412 -18.399 1.00 51.90 H +ATOM 769 HE22 GLN A 43 -15.738 -7.555 -18.242 1.00 51.90 H +ATOM 770 N GLN A 44 -13.133 -5.450 -20.293 1.00 25.51 N +ATOM 771 CA GLN A 44 -13.813 -5.255 -21.331 1.00 27.59 C +ATOM 772 C GLN A 44 -14.752 -6.201 -21.974 1.00 26.50 C +ATOM 773 O GLN A 44 -14.682 -7.068 -22.374 1.00 28.59 O +ATOM 774 CB GLN A 44 -13.192 -5.048 -21.813 1.00 29.72 C +ATOM 775 CG GLN A 44 -12.242 -4.103 -21.142 1.00 31.66 C +ATOM 776 CD GLN A 44 -11.805 -3.626 -21.709 1.00 32.92 C +ATOM 777 OE1 GLN A 44 -10.970 -3.815 -21.566 1.00 32.20 O +ATOM 778 NE2 GLN A 44 -12.353 -2.977 -22.327 1.00 33.92 N +ATOM 779 H GLN A 44 -12.665 -5.829 -20.215 1.00 30.61 H +ATOM 780 HA GLN A 44 -14.088 -4.589 -21.283 1.00 33.11 H +ATOM 781 HB2 GLN A 44 -12.938 -5.708 -21.902 1.00 35.66 H +ATOM 782 HB3 GLN A 44 -13.646 -4.856 -22.470 1.00 35.66 H +ATOM 783 HG2 GLN A 44 -12.447 -3.514 -20.868 1.00 37.99 H +ATOM 784 HG3 GLN A 44 -11.687 -4.375 -20.587 1.00 37.99 H +ATOM 785 HE21 GLN A 44 -12.921 -2.845 -22.392 1.00 40.70 H +ATOM 786 HE22 GLN A 44 -12.141 -2.688 -22.663 1.00 40.70 H +ATOM 787 N SER A 45 -15.625 -6.005 -22.055 1.00 22.35 N +ATOM 788 CA SER A 45 -16.516 -6.862 -22.393 1.00 22.47 C +ATOM 789 C SER A 45 -17.321 -7.115 -23.543 1.00 15.43 C +ATOM 790 O SER A 45 -17.438 -6.399 -24.040 1.00 21.19 O +ATOM 791 CB SER A 45 -17.070 -6.494 -21.875 1.00 17.44 C +ATOM 792 OG SER A 45 -16.367 -6.184 -20.797 1.00 23.22 O +ATOM 793 H SER A 45 -15.723 -5.358 -21.914 1.00 26.82 H +ATOM 794 HA SER A 45 -16.269 -7.538 -22.187 1.00 26.96 H +ATOM 795 HB2 SER A 45 -17.382 -5.870 -22.134 1.00 20.93 H +ATOM 796 HB3 SER A 45 -17.609 -7.094 -22.036 1.00 20.93 H +ATOM 797 HG SER A 45 -16.679 -5.989 -20.536 1.00 27.86 H +ATOM 798 N ASP A 46 -17.892 -8.123 -23.962 1.00 14.92 N +ATOM 799 CA ASP A 46 -18.792 -8.409 -25.020 1.00 13.92 C +ATOM 800 C ASP A 46 -19.639 -7.778 -25.149 1.00 15.62 C +ATOM 801 O ASP A 46 -20.258 -7.545 -25.980 1.00 15.49 O +ATOM 802 CB ASP A 46 -19.245 -9.631 -25.325 1.00 14.65 C +ATOM 803 CG ASP A 46 -18.517 -10.336 -25.353 1.00 14.53 C +ATOM 804 OD1 ASP A 46 -18.004 -10.031 -25.703 1.00 14.78 O +ATOM 805 OD2 ASP A 46 -18.461 -11.204 -25.028 1.00 15.84 O +ATOM 806 OXT ASP A 46 -19.722 -7.508 -24.423 1.00 16.65 O +ATOM 807 H ASP A 46 -17.773 -8.659 -23.646 1.00 17.91 H +ATOM 808 HA ASP A 46 -18.585 -8.226 -25.477 1.00 16.71 H +ATOM 809 HB2 ASP A 46 -19.386 -9.826 -24.833 1.00 17.59 H +ATOM 810 HB3 ASP A 46 -19.885 -9.784 -26.000 1.00 17.59 H +HETATM 811 ZN ZN A 101 -2.151 5.584 -5.730 1.00 8.66 ZN +HETATM 812 O1 TLA A 102 -2.560 -0.123 -5.566 1.00 17.27 O +HETATM 813 O11 TLA A 102 -4.114 0.335 -6.481 1.00 20.36 O +HETATM 814 C1 TLA A 102 -3.137 0.541 -5.974 1.00 17.13 C +HETATM 815 C2 TLA A 102 -2.612 1.693 -5.801 1.00 13.31 C +HETATM 816 O2 TLA A 102 -1.499 1.752 -5.316 1.00 13.67 O +HETATM 817 C3 TLA A 102 -2.742 2.585 -5.157 1.00 13.80 C +HETATM 818 O3 TLA A 102 -2.404 2.303 -4.188 1.00 14.35 O +HETATM 819 C4 TLA A 102 -2.266 3.694 -5.089 1.00 11.49 C +HETATM 820 O4 TLA A 102 -1.507 4.221 -4.226 1.00 12.92 O +HETATM 821 O41 TLA A 102 -2.617 4.026 -5.911 1.00 11.65 O +HETATM 822 H2 TLA A 102 -2.963 1.905 -6.574 1.00 15.97 H +HETATM 823 HA TLA A 102 -1.432 1.021 -5.489 1.00 16.40 H +HETATM 824 H3 TLA A 102 -3.607 2.559 -5.539 1.00 16.56 H +HETATM 825 HB TLA A 102 -2.105 1.658 -4.160 1.00 17.22 H +HETATM 826 S01 UNL A 103 -4.797 3.437 3.248 1.00 18.42 S +HETATM 827 C02 UNL A 103 -3.832 3.474 4.488 1.00 3.88 C +HETATM 828 O03 UNL A 103 -4.258 3.067 4.981 1.00 22.99 O +HETATM 829 C04 UNL A 103 -3.212 2.774 4.467 1.00 14.45 C +HETATM 830 C05 UNL A 103 -2.387 2.895 5.456 1.00 5.51 C +HETATM 831 O06 UNL A 103 -1.590 3.469 5.679 1.00 21.94 O +HETATM 832 O07 UNL A 103 -3.292 4.535 4.997 1.00 22.55 O +HETATM 833 H011 UNL A 103 -5.622 3.096 3.279 1.00 22.10 H +HETATM 834 H031 UNL A 103 -3.858 3.418 5.690 1.00 27.59 H +HETATM 835 H041 UNL A 103 -2.946 2.958 3.967 1.00 17.34 H +HETATM 836 H042 UNL A 103 -3.653 1.922 4.157 1.00 17.34 H +HETATM 837 H051 UNL A 103 -2.581 2.783 6.018 1.00 6.62 H +HETATM 838 H071 UNL A 103 -2.778 4.547 5.701 1.00 27.07 H +HETATM 839 O HOH A 201 -4.756 10.415 1.693 0.70 19.18 O +HETATM 840 O HOH A 202 -14.018 0.930 -13.691 1.00 8.79 O +HETATM 841 O HOH A 203 -9.173 -5.364 -8.054 1.00 29.54 O +HETATM 842 O HOH A 204 -14.487 -1.186 -14.634 1.00 9.67 O +HETATM 843 O HOH A 205 -5.420 8.165 0.660 0.61 10.85 O +HETATM 844 O HOH A 206 0.230 -0.071 1.420 0.62 19.02 O +HETATM 845 O HOH A 207 -5.275 -3.144 -3.282 0.55 18.29 O +HETATM 846 O HOH A 208 0.278 7.935 -0.803 0.87 9.87 O +HETATM 847 O HOH A 209 -1.624 -0.052 4.803 0.97 27.98 O +HETATM 848 O HOH A 210 -16.448 -0.158 -13.245 0.92 10.30 O +HETATM 849 O HOH A 211 -0.038 9.098 -3.705 1.00 14.53 O +HETATM 850 O HOH A 212 -6.589 7.541 -1.504 1.00 10.42 O +HETATM 851 O HOH A 213 -10.650 -8.710 -18.068 1.00 31.75 O +HETATM 852 O HOH A 214 -15.799 -1.905 -16.728 0.98 13.46 O +HETATM 853 O HOH A 215 -9.989 -5.228 -18.011 1.00 12.03 O +HETATM 854 O HOH A 216 -17.057 2.648 -18.353 1.00 15.53 O +HETATM 855 O HOH A 217 -3.953 10.538 -3.790 1.00 21.82 O +HETATM 856 O HOH A 218 -16.579 -1.143 -18.550 1.00 24.19 O +HETATM 857 O HOH A 219 -13.456 -6.464 -13.179 1.00 21.86 O +HETATM 858 O HOH A 220 -15.306 -1.512 -19.373 0.73 23.13 O +HETATM 859 O HOH A 221 -10.346 -6.759 -9.943 0.90 31.19 O +HETATM 860 O HOH A 222 -13.187 -1.867 -19.799 0.98 31.42 O +HETATM 861 O HOH A 223 -8.487 -0.113 -0.102 0.99 22.76 O +HETATM 862 O HOH A 224 -14.434 -2.126 -7.400 0.87 34.39 O +HETATM 863 O HOH A 225 -12.348 -2.014 -5.150 1.00 39.15 O +HETATM 864 O HOH A 226 -5.933 8.538 -7.965 1.00 19.81 O +HETATM 865 O HOH A 227 -6.705 2.089 2.418 0.91 12.34 O +HETATM 866 O HOH A 228 -2.567 -1.739 -4.622 0.95 35.57 O +HETATM 867 O AHOH A 229 -6.247 4.530 10.353 0.47 12.05 O +HETATM 868 O BHOH A 229 -5.412 4.161 10.818 0.53 18.45 O +HETATM 869 O HOH A 230 -8.450 10.154 -8.479 1.00 19.03 O +HETATM 870 O AHOH A 231 -8.019 13.059 4.137 0.53 13.23 O +HETATM 871 O BHOH A 231 -7.153 13.492 3.674 0.47 13.58 O +HETATM 872 O HOH A 232 -6.598 -5.307 -7.241 1.00 26.76 O +HETATM 873 O HOH A 233 -4.320 -2.434 2.210 1.00 29.58 O +HETATM 874 O HOH A 234 -1.772 0.329 0.861 1.00 24.42 O +HETATM 875 O HOH A 235 -10.982 11.502 -9.693 0.86 23.02 O +HETATM 876 O HOH A 236 -1.655 -0.383 -0.631 0.95 26.49 O +HETATM 877 O HOH A 237 -0.363 1.954 -2.792 1.00 23.88 O +HETATM 878 O HOH A 238 -0.434 0.657 -1.235 1.00 32.15 O +HETATM 879 O HOH A 239 -9.222 1.693 -0.765 1.00 22.76 O +HETATM 880 O HOH A 240 -0.017 12.458 4.790 0.76 17.35 O +HETATM 881 O HOH A 241 -1.818 12.881 3.191 0.68 17.67 O +HETATM 882 O HOH A 242 -8.853 2.240 -2.120 0.68 18.85 O +HETATM 883 O HOH A 243 -17.131 0.899 -19.100 0.86 23.15 O +HETATM 884 O HOH A 244 -18.945 -9.243 -27.595 0.82 21.09 O +HETATM 885 O HOH A 245 -13.061 -0.071 -19.007 0.57 20.98 O +HETATM 886 O HOH A 246 -1.646 11.390 -2.516 0.68 23.85 O +HETATM 887 O HOH A 247 -1.711 -1.894 1.759 1.00 33.35 O +HETATM 888 O HOH A 248 -2.578 -1.227 2.903 0.92 25.69 O +HETATM 889 O HOH A 249 -15.120 -9.341 -16.984 1.00 41.77 O +HETATM 890 O HOH A 250 -11.594 -6.238 -20.262 0.55 22.02 O +HETATM 891 O HOH A 251 -4.899 12.122 -3.977 0.94 32.07 O +HETATM 892 O HOH A 252 -11.896 -8.717 -17.390 1.00 31.07 O +HETATM 893 O HOH A 253 -8.179 -4.203 -11.773 1.00 22.01 O +HETATM 894 O HOH A 254 -0.613 10.762 -0.536 1.00 30.19 O +HETATM 895 O HOH A 255 -2.178 12.607 0.071 1.00 32.60 O +HETATM 896 O HOH A 256 1.699 14.531 5.670 1.00 32.04 O +HETATM 897 O HOH A 257 -11.588 7.717 -15.060 1.00 34.75 O +HETATM 898 O HOH A 258 -9.592 -3.396 -2.519 1.00 36.59 O +TER 899 HOH A 258 +END +ATOM 812 N SER B 0 -8.211 16.792 -28.083 1.00 25.88 N +ANISOU 812 N SER B 0 4260 3108 2464 947 184 369 N +ATOM 813 CA SER B 0 -7.169 15.903 -28.669 1.00 25.32 C +ANISOU 813 CA SER B 0 4099 3091 2431 1000 38 472 C +ATOM 814 C SER B 0 -6.953 14.687 -27.776 1.00 23.48 C +ANISOU 814 C SER B 0 3826 2825 2272 880 -30 510 C +ATOM 815 O SER B 0 -7.124 14.761 -26.551 1.00 24.46 O +ANISOU 815 O SER B 0 3876 3150 2268 668 -62 469 O +ATOM 816 CB SER B 0 -5.856 16.667 -28.827 1.00 27.16 C +ANISOU 816 CB SER B 0 4453 3337 2528 1043 4 483 C +ATOM 817 OG SER B 0 -6.068 17.916 -29.459 1.00 29.00 O +ANISOU 817 OG SER B 0 4706 3717 2597 907 -22 463 O +ATOM 818 HA SER B 0 -7.459 15.594 -29.553 1.00 30.39 H +ATOM 819 HB2 SER B 0 -5.472 16.819 -27.949 1.00 32.59 H +ATOM 820 HB3 SER B 0 -5.247 16.139 -29.367 1.00 32.59 H +ATOM 821 HG SER B 0 -5.356 18.316 -29.538 1.00 34.80 H +ATOM 822 N GLY B 1 -6.580 13.562 -28.380 1.00 20.78 N +ANISOU 822 N GLY B 1 3380 2397 2118 570 -36 591 N +ATOM 823 CA GLY B 1 -6.301 12.370 -27.609 1.00 18.06 C +ANISOU 823 CA GLY B 1 2924 1938 2000 256 50 668 C +ATOM 824 C GLY B 1 -5.036 12.518 -26.794 1.00 14.63 C +ANISOU 824 C GLY B 1 2242 1395 1922 93 161 562 C +ATOM 825 O GLY B 1 -4.026 13.031 -27.267 1.00 17.09 O +ANISOU 825 O GLY B 1 2521 1988 1982 -76 310 698 O +ATOM 826 H GLY B 1 -6.483 13.469 -29.230 1.00 24.94 H +ATOM 827 HA2 GLY B 1 -7.039 12.192 -27.006 1.00 21.67 H +ATOM 828 HA3 GLY B 1 -6.198 11.613 -28.206 1.00 21.67 H +ATOM 829 N ASER B 2 -5.095 12.047 -25.550 0.36 12.80 N +ANISOU 829 N ASER B 2 1827 1180 1856 71 157 496 N +ATOM 830 N BSER B 2 -5.117 12.067 -25.555 0.52 13.08 N +ANISOU 830 N BSER B 2 1825 1255 1889 65 168 539 N +ATOM 831 N CSER B 2 -5.075 12.081 -25.544 0.12 13.15 N +ANISOU 831 N CSER B 2 2033 1092 1872 8 125 511 N +ATOM 832 CA ASER B 2 -3.940 12.046 -24.655 0.36 10.47 C +ANISOU 832 CA ASER B 2 1304 869 1806 -77 162 303 C +ATOM 833 CA BSER B 2 -3.962 12.005 -24.692 0.52 10.76 C +ANISOU 833 CA BSER B 2 1276 940 1873 -59 193 348 C +ATOM 834 CA CSER B 2 -3.887 12.155 -24.707 0.12 11.44 C +ANISOU 834 CA CSER B 2 1774 744 1829 -109 90 422 C +ATOM 835 C ASER B 2 -3.035 10.856 -24.984 0.36 10.50 C +ANISOU 835 C ASER B 2 1518 722 1751 20 176 339 C +ATOM 836 C BSER B 2 -3.087 10.851 -25.180 0.52 10.82 C +ANISOU 836 C BSER B 2 1435 839 1836 36 257 448 C +ATOM 837 C CSER B 2 -3.028 10.917 -24.939 0.12 10.97 C +ANISOU 837 C CSER B 2 1706 694 1766 5 168 435 C +ATOM 838 O ASER B 2 -3.441 9.704 -24.819 0.36 10.09 O +ANISOU 838 O ASER B 2 1673 510 1650 -30 114 263 O +ATOM 839 O BSER B 2 -3.573 9.728 -25.353 0.52 11.40 O +ANISOU 839 O BSER B 2 1562 883 1887 -88 318 404 O +ATOM 840 O CSER B 2 -3.467 9.796 -24.678 0.12 11.12 O +ANISOU 840 O CSER B 2 1814 662 1748 -11 162 432 O +ATOM 841 CB ASER B 2 -4.388 11.924 -23.192 0.36 10.84 C +ANISOU 841 CB ASER B 2 1187 1154 1776 92 234 67 C +ATOM 842 CB BSER B 2 -4.418 11.758 -23.255 0.52 11.85 C +ANISOU 842 CB BSER B 2 1437 1220 1844 297 249 34 C +ATOM 843 CB CSER B 2 -4.273 12.265 -23.236 0.12 10.89 C +ANISOU 843 CB CSER B 2 1701 623 1813 -249 -2 336 C +ATOM 844 OG ASER B 2 -5.245 12.980 -22.789 0.36 10.83 O +ANISOU 844 OG ASER B 2 1196 1171 1746 -18 269 -11 O +ATOM 845 OG BSER B 2 -3.325 11.439 -22.423 0.52 11.93 O +ANISOU 845 OG BSER B 2 1828 877 1827 309 192 -71 O +ATOM 846 OG CSER B 2 -4.994 11.122 -22.825 0.12 10.79 O +ANISOU 846 OG CSER B 2 1661 668 1770 -362 -72 303 O +ATOM 847 H ASER B 2 -5.805 11.716 -25.195 0.36 15.36 H +ATOM 848 H BSER B 2 -5.842 11.787 -25.188 0.52 15.69 H +ATOM 849 H CSER B 2 -5.766 11.742 -25.161 0.12 15.78 H +ATOM 850 HA ASER B 2 -3.429 12.875 -24.765 0.36 12.57 H +ATOM 851 HA BSER B 2 -3.455 12.842 -24.736 0.52 12.91 H +ATOM 852 HA CSER B 2 -3.364 12.947 -24.951 0.12 13.73 H +ATOM 853 HB2ASER B 2 -4.861 11.084 -23.082 0.36 13.00 H +ATOM 854 HB2BSER B 2 -4.847 12.561 -22.919 0.52 14.22 H +ATOM 855 HB2CSER B 2 -3.467 12.340 -22.702 0.12 13.06 H +ATOM 856 HB3ASER B 2 -3.601 11.931 -22.625 0.36 13.00 H +ATOM 857 HB3BSER B 2 -5.047 11.019 -23.247 0.52 14.22 H +ATOM 858 HB3CSER B 2 -4.829 13.051 -23.112 0.12 13.06 H +ATOM 859 HG ASER B 2 -5.462 12.881 -22.004 0.36 12.99 H +ATOM 860 HG BSER B 2 -3.585 11.310 -21.656 0.52 14.31 H +ATOM 861 HG CSER B 2 -5.076 10.601 -23.454 0.12 12.95 H +ATOM 862 N PRO B 3 -1.796 11.108 -25.435 1.00 10.39 N +ANISOU 862 N PRO B 3 1543 694 1712 54 262 461 N +ATOM 863 CA PRO B 3 -0.964 9.930 -25.702 1.00 10.57 C +ANISOU 863 CA PRO B 3 1698 786 1532 -14 442 448 C +ATOM 864 C PRO B 3 -0.802 9.096 -24.424 1.00 9.68 C +ANISOU 864 C PRO B 3 1703 580 1396 -102 357 231 C +ATOM 865 O PRO B 3 -0.655 7.879 -24.502 1.00 9.79 O +ANISOU 865 O PRO B 3 1806 621 1292 158 562 225 O +ATOM 866 CB PRO B 3 0.360 10.526 -26.205 1.00 10.80 C +ANISOU 866 CB PRO B 3 1889 733 1483 236 311 262 C +ATOM 867 CG PRO B 3 0.349 11.950 -25.721 1.00 9.96 C +ANISOU 867 CG PRO B 3 1597 727 1459 31 160 272 C +ATOM 868 CD PRO B 3 -1.097 12.374 -25.710 1.00 10.83 C +ANISOU 868 CD PRO B 3 1823 701 1589 -177 126 448 C +ATOM 869 HA PRO B 3 -1.364 9.378 -26.406 1.00 12.68 H +ATOM 870 HB2 PRO B 3 1.106 10.039 -25.822 1.00 12.96 H +ATOM 871 HB3 PRO B 3 0.388 10.493 -27.174 1.00 12.96 H +ATOM 872 HG2 PRO B 3 0.723 11.992 -24.827 1.00 11.95 H +ATOM 873 HG3 PRO B 3 0.861 12.504 -26.331 1.00 11.95 H +ATOM 874 HD2 PRO B 3 -1.259 13.014 -24.999 1.00 12.99 H +ATOM 875 HD3 PRO B 3 -1.356 12.725 -26.576 1.00 12.99 H +ATOM 876 N LEU B 4 -0.876 9.728 -23.255 1.00 8.94 N +ANISOU 876 N LEU B 4 1507 525 1364 -42 286 192 N +ATOM 877 CA LEU B 4 -0.789 8.993 -22.000 1.00 8.91 C +ANISOU 877 CA LEU B 4 1418 691 1278 -96 158 81 C +ATOM 878 C LEU B 4 -1.969 8.031 -21.854 1.00 7.92 C +ANISOU 878 C LEU B 4 1224 592 1195 126 270 25 C +ATOM 879 O LEU B 4 -1.801 6.906 -21.381 1.00 8.62 O +ANISOU 879 O LEU B 4 1405 570 1299 216 173 166 O +ATOM 880 CB LEU B 4 -0.711 9.975 -20.825 1.00 9.44 C +ANISOU 880 CB LEU B 4 1405 912 1268 -63 2 155 C +ATOM 881 CG LEU B 4 -0.636 9.372 -19.422 1.00 10.47 C +ANISOU 881 CG LEU B 4 1557 1116 1305 97 97 184 C +ATOM 882 CD1 LEU B 4 0.498 8.368 -19.314 1.00 12.43 C +ANISOU 882 CD1 LEU B 4 1968 1387 1369 156 136 257 C +ATOM 883 CD2 LEU B 4 -0.452 10.494 -18.384 1.00 12.21 C +ANISOU 883 CD2 LEU B 4 1838 1468 1332 76 50 107 C +ATOM 884 H LEU B 4 -0.977 10.577 -23.163 1.00 10.73 H +ATOM 885 HA LEU B 4 0.034 8.460 -22.001 1.00 10.70 H +ATOM 886 HB2 LEU B 4 0.080 10.524 -20.942 1.00 11.32 H +ATOM 887 HB3 LEU B 4 -1.499 10.540 -20.851 1.00 11.32 H +ATOM 888 HG LEU B 4 -1.468 8.912 -19.228 1.00 12.57 H +ATOM 889 HD11 LEU B 4 0.514 8.011 -18.423 1.00 14.92 H +ATOM 890 HD12 LEU B 4 0.351 7.661 -19.947 1.00 14.92 H +ATOM 891 HD13 LEU B 4 1.327 8.812 -19.505 1.00 14.92 H +ATOM 892 HD21 LEU B 4 -0.407 10.104 -17.508 1.00 14.65 H +ATOM 893 HD22 LEU B 4 0.361 10.966 -18.575 1.00 14.65 H +ATOM 894 HD23 LEU B 4 -1.200 11.094 -18.437 1.00 14.65 H +ATOM 895 N ALA B 5 -3.167 8.454 -22.257 1.00 8.07 N +ANISOU 895 N ALA B 5 1419 572 1075 123 297 133 N +ATOM 896 CA ALA B 5 -4.309 7.533 -22.214 1.00 7.97 C +ANISOU 896 CA ALA B 5 1302 732 995 137 224 189 C +ATOM 897 C ALA B 5 -4.068 6.322 -23.117 1.00 7.27 C +ANISOU 897 C ALA B 5 1221 682 858 249 24 300 C +ATOM 898 O ALA B 5 -4.415 5.191 -22.765 1.00 7.14 O +ANISOU 898 O ALA B 5 1213 667 832 133 91 180 O +ATOM 899 CB ALA B 5 -5.619 8.227 -22.589 1.00 8.62 C +ANISOU 899 CB ALA B 5 1381 785 1111 163 261 85 C +ATOM 900 H ALA B 5 -3.345 9.242 -22.551 1.00 9.68 H +ATOM 901 HA ALA B 5 -4.405 7.201 -21.297 1.00 9.56 H +ATOM 902 HB1 ALA B 5 -6.334 7.588 -22.547 1.00 10.35 H +ATOM 903 HB2 ALA B 5 -5.782 8.942 -21.970 1.00 10.35 H +ATOM 904 HB3 ALA B 5 -5.543 8.575 -23.480 1.00 10.35 H +ATOM 905 N GLN B 6 -3.489 6.546 -24.293 1.00 7.35 N +ANISOU 905 N GLN B 6 1306 651 836 275 108 288 N +ATOM 906 CA GLN B 6 -3.202 5.409 -25.177 1.00 7.85 C +ANISOU 906 CA GLN B 6 1512 716 753 165 248 317 C +ATOM 907 C GLN B 6 -2.116 4.522 -24.570 1.00 6.81 C +ANISOU 907 C GLN B 6 1245 625 716 7 246 276 C +ATOM 908 O GLN B 6 -2.181 3.296 -24.699 1.00 7.71 O +ANISOU 908 O GLN B 6 1595 608 726 101 156 247 O +ATOM 909 CB GLN B 6 -2.804 5.859 -26.583 1.00 8.45 C +ANISOU 909 CB GLN B 6 1578 892 740 334 215 350 C +ATOM 910 CG GLN B 6 -2.767 4.683 -27.587 1.00 9.68 C +ANISOU 910 CG GLN B 6 1788 1139 750 312 107 342 C +ATOM 911 CD GLN B 6 -4.114 4.015 -27.736 1.00 10.86 C +ANISOU 911 CD GLN B 6 1958 1197 972 343 -211 357 C +ATOM 912 OE1 GLN B 6 -5.134 4.698 -27.831 1.00 11.87 O +ANISOU 912 OE1 GLN B 6 2081 1252 1177 292 -274 320 O +ATOM 913 NE2 GLN B 6 -4.142 2.679 -27.753 1.00 12.23 N +ANISOU 913 NE2 GLN B 6 2098 1466 1083 160 -278 183 N +ATOM 914 H GLN B 6 -3.258 7.316 -24.598 1.00 8.82 H +ATOM 915 HA GLN B 6 -4.014 4.867 -25.260 1.00 9.41 H +ATOM 916 HB2 GLN B 6 -3.449 6.508 -26.903 1.00 10.14 H +ATOM 917 HB3 GLN B 6 -1.920 6.256 -26.550 1.00 10.14 H +ATOM 918 HG2 GLN B 6 -2.498 5.017 -28.457 1.00 11.61 H +ATOM 919 HG3 GLN B 6 -2.133 4.018 -27.275 1.00 11.61 H +ATOM 920 HE21 GLN B 6 -3.410 2.233 -27.681 1.00 14.68 H +ATOM 921 HE22 GLN B 6 -4.892 2.266 -27.836 1.00 14.68 H +ATOM 922 N GLN B 7 -1.141 5.132 -23.902 1.00 6.82 N +ANISOU 922 N GLN B 7 1159 538 894 117 238 281 N +ATOM 923 CA GLN B 7 -0.089 4.368 -23.240 1.00 7.43 C +ANISOU 923 CA GLN B 7 1063 681 1078 106 215 311 C +ATOM 924 C GLN B 7 -0.676 3.480 -22.139 1.00 6.13 C +ANISOU 924 C GLN B 7 973 490 865 79 136 221 C +ATOM 925 O GLN B 7 -0.269 2.336 -21.980 1.00 6.79 O +ANISOU 925 O GLN B 7 1201 557 821 109 127 151 O +ATOM 926 CB GLN B 7 0.971 5.314 -22.668 1.00 9.58 C +ANISOU 926 CB GLN B 7 1316 902 1422 -9 278 567 C +ATOM 927 CG GLN B 7 2.271 4.623 -22.276 1.00 11.44 C +ANISOU 927 CG GLN B 7 1184 1480 1684 107 141 765 C +ATOM 928 CD GLN B 7 3.296 5.573 -21.683 1.00 13.66 C +ANISOU 928 CD GLN B 7 1281 1975 1934 -89 48 881 C +ATOM 929 OE1 GLN B 7 3.136 6.792 -21.743 1.00 15.99 O +ANISOU 929 OE1 GLN B 7 1882 2070 2123 -322 -106 740 O +ATOM 930 NE2 GLN B 7 4.360 5.021 -21.116 1.00 15.29 N +ANISOU 930 NE2 GLN B 7 1402 2425 1984 -188 -48 958 N +ATOM 931 H GLN B 7 -1.066 5.985 -23.817 1.00 8.18 H +ATOM 932 HA GLN B 7 0.347 3.787 -23.898 1.00 8.91 H +ATOM 933 HB2 GLN B 7 1.182 5.986 -23.335 1.00 11.50 H +ATOM 934 HB3 GLN B 7 0.612 5.741 -21.874 1.00 11.50 H +ATOM 935 HG2 GLN B 7 2.078 3.941 -21.614 1.00 13.73 H +ATOM 936 HG3 GLN B 7 2.662 4.216 -23.065 1.00 13.73 H +ATOM 937 HE21 GLN B 7 4.443 4.165 -21.098 1.00 18.35 H +ATOM 938 HE22 GLN B 7 4.968 5.519 -20.767 1.00 18.35 H +ATOM 939 N ILE B 8 -1.652 4.009 -21.408 1.00 5.98 N +ANISOU 939 N ILE B 8 1110 428 734 36 81 126 N +ATOM 940 CA ILE B 8 -2.360 3.234 -20.397 1.00 5.76 C +ANISOU 940 CA ILE B 8 1021 558 610 75 15 -1 C +ATOM 941 C ILE B 8 -3.130 2.077 -21.022 1.00 5.57 C +ANISOU 941 C ILE B 8 1010 577 531 162 54 51 C +ATOM 942 O ILE B 8 -3.042 0.945 -20.567 1.00 5.97 O +ANISOU 942 O ILE B 8 1122 570 576 75 -9 153 O +ATOM 943 CB ILE B 8 -3.285 4.159 -19.572 1.00 6.35 C +ATOM 944 CG1 ILE B 8 -2.454 5.072 -18.663 1.00 7.41 C +ATOM 945 CG2 ILE B 8 -4.272 3.353 -18.757 1.00 7.64 C +ATOM 946 CD1 ILE B 8 -3.206 6.216 -18.038 1.00 8.62 C +ATOM 947 H ILE B 8 -1.924 4.822 -21.480 1.00 7.17 H +ATOM 948 HA ILE B 8 -1.702 2.850 -19.781 1.00 6.91 H +ATOM 949 HB ILE B 8 -3.785 4.717 -20.189 1.00 7.61 H +ATOM 950 HG12 ILE B 8 -2.088 4.536 -17.942 1.00 8.89 H +ATOM 951 HG13 ILE B 8 -1.730 5.450 -19.186 1.00 8.89 H +ATOM 952 HG21 ILE B 8 -4.830 3.954 -18.259 1.00 9.16 H +ATOM 953 HG22 ILE B 8 -4.809 2.824 -19.352 1.00 9.16 H +ATOM 954 HG23 ILE B 8 -3.788 2.781 -18.157 1.00 9.16 H +ATOM 955 HD11 ILE B 8 -2.602 6.724 -17.491 1.00 10.34 H +ATOM 956 HD12 ILE B 8 -3.564 6.771 -18.734 1.00 10.34 H +ATOM 957 HD13 ILE B 8 -3.919 5.864 -17.500 1.00 10.34 H +ATOM 958 N LYS B 9 -3.886 2.353 -22.071 1.00 5.80 N +ANISOU 958 N LYS B 9 1044 579 583 162 -29 55 N +ATOM 959 CA LYS B 9 -4.606 1.292 -22.747 1.00 6.40 C +ANISOU 959 CA LYS B 9 1232 540 658 5 -127 20 C +ATOM 960 C LYS B 9 -3.640 0.224 -23.244 1.00 6.25 C +ANISOU 960 C LYS B 9 1289 509 576 28 -160 57 C +ATOM 961 O LYS B 9 -3.906 -0.972 -23.109 1.00 6.36 O +ANISOU 961 O LYS B 9 1201 527 690 53 -95 -2 O +ATOM 962 CB LYS B 9 -5.411 1.868 -23.920 1.00 7.48 C +ANISOU 962 CB LYS B 9 1337 628 877 98 -171 102 C +ATOM 963 CG LYS B 9 -6.554 2.737 -23.456 1.00 8.36 C +ANISOU 963 CG LYS B 9 1263 802 1110 128 -138 151 C +ATOM 964 CD LYS B 9 -7.207 3.530 -24.566 1.00 10.75 C +ANISOU 964 CD LYS B 9 1546 1221 1319 250 -60 257 C +ATOM 965 CE LYS B 9 -8.192 4.533 -23.977 1.00 12.07 C +ANISOU 965 CE LYS B 9 1594 1496 1497 344 -36 347 C +ATOM 966 NZ LYS B 9 -8.842 5.378 -25.017 1.00 13.35 N +ANISOU 966 NZ LYS B 9 1778 1682 1611 431 -24 302 N +ATOM 967 H LYS B 9 -3.998 3.136 -22.407 1.00 6.96 H +ATOM 968 HA LYS B 9 -5.231 0.874 -22.120 1.00 7.68 H +ATOM 969 HB2 LYS B 9 -4.826 2.409 -24.473 1.00 8.98 H +ATOM 970 HB3 LYS B 9 -5.780 1.137 -24.441 1.00 8.98 H +ATOM 971 HG2 LYS B 9 -7.234 2.172 -23.055 1.00 10.03 H +ATOM 972 HG3 LYS B 9 -6.221 3.367 -22.798 1.00 10.03 H +ATOM 973 HD2 LYS B 9 -6.529 4.017 -25.060 1.00 12.90 H +ATOM 974 HD3 LYS B 9 -7.691 2.929 -25.154 1.00 12.90 H +ATOM 975 HE2 LYS B 9 -8.888 4.051 -23.503 1.00 14.49 H +ATOM 976 HE3 LYS B 9 -7.719 5.119 -23.366 1.00 14.49 H +ATOM 977 HZ1 LYS B 9 -9.290 4.864 -25.590 1.00 16.01 H +ATOM 978 HZ2 LYS B 9 -9.408 5.948 -24.636 1.00 16.01 H +ATOM 979 HZ3 LYS B 9 -8.225 5.838 -25.464 1.00 16.01 H +ATOM 980 N ASN B 10 -2.511 0.648 -23.805 1.00 5.84 N +ANISOU 980 N ASN B 10 1170 516 532 57 -55 49 N +ATOM 981 CA ASN B 10 -1.541 -0.291 -24.347 1.00 5.90 C +ANISOU 981 CA ASN B 10 1253 420 566 166 -61 45 C +ATOM 982 C ASN B 10 -0.904 -1.147 -23.265 1.00 5.92 C +ANISOU 982 C ASN B 10 1146 540 565 83 80 -68 C +ATOM 983 O ASN B 10 -0.781 -2.349 -23.444 1.00 6.27 O +ANISOU 983 O ASN B 10 1273 441 667 73 27 -44 O +ATOM 984 CB ASN B 10 -0.451 0.442 -25.122 1.00 5.93 C +ANISOU 984 CB ASN B 10 1177 497 579 13 -6 77 C +ATOM 985 CG ASN B 10 -0.891 0.880 -26.496 1.00 6.69 C +ANISOU 985 CG ASN B 10 1304 667 571 52 -52 71 C +ATOM 986 OD1 ASN B 10 -2.048 0.732 -26.891 1.00 7.60 O +ANISOU 986 OD1 ASN B 10 1394 949 546 74 -59 22 O +ATOM 987 ND2 ASN B 10 0.051 1.406 -27.249 1.00 9.05 N +ANISOU 987 ND2 ASN B 10 1552 1177 707 -294 97 328 N +ATOM 988 H ASN B 10 -2.285 1.474 -23.884 1.00 7.00 H +ATOM 989 HA ASN B 10 -1.999 -0.892 -24.971 1.00 7.07 H +ATOM 990 HB2 ASN B 10 -0.191 1.233 -24.625 1.00 7.12 H +ATOM 991 HB3 ASN B 10 0.311 -0.149 -25.226 1.00 7.12 H +ATOM 992 HD21 ASN B 10 0.853 1.480 -26.946 1.00 10.86 H +ATOM 993 HD22 ASN B 10 -0.134 1.676 -28.044 1.00 10.86 H +ATOM 994 N ILE B 11 -0.499 -0.558 -22.145 1.00 5.70 N +ANISOU 994 N ILE B 11 1174 436 556 22 44 31 N +ATOM 995 CA AILE B 11 0.130 -1.369 -21.124 0.64 5.47 C +ANISOU 995 CA AILE B 11 1012 464 603 -4 -148 122 C +ATOM 996 CA BILE B 11 0.110 -1.314 -21.043 0.36 6.10 C +ANISOU 996 CA BILE B 11 1181 575 561 75 -19 73 C +ATOM 997 C ILE B 11 -0.892 -2.277 -20.448 1.00 5.58 C +ANISOU 997 C ILE B 11 1066 484 569 72 -122 65 C +ATOM 998 O ILE B 11 -0.570 -3.411 -20.107 1.00 6.15 O +ANISOU 998 O ILE B 11 1245 513 578 61 -111 118 O +ATOM 999 CB AILE B 11 0.942 -0.516 -20.153 0.64 5.45 C +ANISOU 999 CB AILE B 11 951 427 693 90 -163 4 C +ATOM 1000 CB BILE B 11 0.639 -0.388 -19.928 0.36 7.51 C +ANISOU 1000 CB BILE B 11 1513 751 588 109 -9 29 C +ATOM 1001 CG1AILE B 11 1.991 -1.389 -19.476 0.64 6.99 C +ANISOU 1001 CG1AILE B 11 937 992 727 -102 -124 -12 C +ATOM 1002 CG1BILE B 11 1.892 0.340 -20.412 0.36 9.56 C +ANISOU 1002 CG1BILE B 11 2034 985 615 102 4 65 C +ATOM 1003 CG2AILE B 11 0.050 0.185 -19.173 0.64 6.01 C +ANISOU 1003 CG2AILE B 11 964 661 659 5 -248 17 C +ATOM 1004 CG2BILE B 11 0.959 -1.180 -18.660 0.36 7.59 C +ANISOU 1004 CG2BILE B 11 1457 857 570 62 -32 -153 C +ATOM 1005 CD1AILE B 11 2.890 -0.620 -18.545 0.64 8.30 C +ANISOU 1005 CD1AILE B 11 1139 1208 804 63 -118 -114 C +ATOM 1006 CD1BILE B 11 2.725 0.887 -19.302 0.36 12.57 C +ANISOU 1006 CD1BILE B 11 2574 1533 669 127 105 -92 C +ATOM 1007 H AILE B 11 -0.574 0.279 -21.960 0.64 6.20 H +ATOM 1008 H BILE B 11 -0.564 0.286 -21.993 0.36 6.48 H +ATOM 1009 HA AILE B 11 0.770 -1.960 -21.572 0.64 6.56 H +ATOM 1010 HA BILE B 11 0.864 -1.835 -21.390 0.36 7.32 H +ATOM 1011 HB AILE B 11 1.407 0.161 -20.668 0.64 6.54 H +ATOM 1012 HB BILE B 11 -0.042 0.270 -19.720 0.36 9.01 H +ATOM 1013 HG12AILE B 11 1.542 -2.076 -18.958 0.64 8.39 H +ATOM 1014 HG12BILE B 11 2.439 -0.280 -20.918 0.36 11.48 H +ATOM 1015 HG13AILE B 11 2.547 -1.799 -20.157 0.64 8.39 H +ATOM 1016 HG13BILE B 11 1.625 1.082 -20.978 0.36 11.48 H +ATOM 1017 HG21AILE B 11 0.590 0.711 -18.579 0.64 7.21 H +ATOM 1018 HG21BILE B 11 1.284 -0.576 -17.989 0.36 9.11 H +ATOM 1019 HG22AILE B 11 -0.556 0.753 -19.654 0.64 7.21 H +ATOM 1020 HG22BILE B 11 0.158 -1.612 -18.352 0.36 9.11 H +ATOM 1021 HG23AILE B 11 -0.443 -0.471 -18.674 0.64 7.21 H +ATOM 1022 HG23BILE B 11 1.628 -1.837 -18.863 0.36 9.11 H +ATOM 1023 HD11AILE B 11 3.524 -1.225 -18.154 0.64 9.95 H +ATOM 1024 HD11BILE B 11 3.491 1.329 -19.675 0.36 15.09 H +ATOM 1025 HD12AILE B 11 3.349 0.058 -19.045 0.64 9.95 H +ATOM 1026 HD12BILE B 11 2.200 1.512 -18.796 0.36 15.09 H +ATOM 1027 HD13AILE B 11 2.355 -0.216 -17.858 0.64 9.95 H +ATOM 1028 HD13BILE B 11 3.007 0.163 -18.738 0.36 15.09 H +ATOM 1029 N HIS B 12 -2.129 -1.819 -20.315 1.00 5.80 N +ANISOU 1029 N HIS B 12 1119 547 539 -51 21 55 N +ATOM 1030 CA HIS B 12 -3.170 -2.679 -19.805 1.00 6.37 C +ANISOU 1030 CA HIS B 12 1134 673 613 90 52 22 C +ATOM 1031 C HIS B 12 -3.383 -3.899 -20.734 1.00 5.94 C +ANISOU 1031 C HIS B 12 1123 533 600 -26 -5 71 C +ATOM 1032 O HIS B 12 -3.472 -5.034 -20.277 1.00 6.80 O +ANISOU 1032 O HIS B 12 1377 557 650 -30 41 150 O +ATOM 1033 CB HIS B 12 -4.460 -1.880 -19.618 1.00 7.29 C +ANISOU 1033 CB HIS B 12 1303 687 780 103 67 -69 C +ATOM 1034 CG HIS B 12 -5.598 -2.733 -19.184 1.00 6.99 C +ANISOU 1034 CG HIS B 12 1191 612 853 138 139 76 C +ATOM 1035 ND1 HIS B 12 -6.605 -3.105 -20.043 1.00 9.59 N +ANISOU 1035 ND1 HIS B 12 1315 1350 980 -29 6 337 N +ATOM 1036 CD2 HIS B 12 -5.833 -3.388 -18.021 1.00 8.13 C +ANISOU 1036 CD2 HIS B 12 1234 987 868 -177 131 58 C +ATOM 1037 CE1 HIS B 12 -7.440 -3.916 -19.412 1.00 9.64 C +ANISOU 1037 CE1 HIS B 12 1174 1434 1056 -69 0 317 C +ATOM 1038 NE2 HIS B 12 -7.000 -4.097 -18.180 1.00 8.53 N +ANISOU 1038 NE2 HIS B 12 1209 1064 967 187 193 35 N +ATOM 1039 H HIS B 12 -2.385 -1.022 -20.512 1.00 6.97 H +ATOM 1040 HA HIS B 12 -2.897 -3.017 -18.926 1.00 7.64 H +ATOM 1041 HB2 HIS B 12 -4.317 -1.201 -18.939 1.00 8.75 H +ATOM 1042 HB3 HIS B 12 -4.700 -1.463 -20.460 1.00 8.75 H +ATOM 1043 HD1 HIS B 12 -6.686 -2.843 -20.858 1.00 11.51 H +ATOM 1044 HD2 HIS B 12 -5.317 -3.342 -17.249 1.00 9.76 H +ATOM 1045 HE1 HIS B 12 -8.216 -4.282 -19.770 1.00 11.57 H +ATOM 1046 N SER B 13 -3.420 -3.654 -22.034 1.00 5.91 N +ANISOU 1046 N SER B 13 1128 517 600 10 -32 139 N +ATOM 1047 CA ASER B 13 -3.506 -4.733 -23.014 0.19 6.24 C +ANISOU 1047 CA ASER B 13 1168 600 602 55 -115 33 C +ATOM 1048 CA BSER B 13 -3.527 -4.747 -22.983 0.81 6.32 C +ANISOU 1048 CA BSER B 13 1080 675 646 -60 -123 31 C +ATOM 1049 C SER B 13 -2.306 -5.659 -22.884 1.00 6.41 C +ANISOU 1049 C SER B 13 1209 545 680 -12 -101 -5 C +ATOM 1050 O SER B 13 -2.434 -6.886 -22.925 1.00 7.32 O +ANISOU 1050 O SER B 13 1356 605 820 -9 -175 -53 O +ATOM 1051 CB ASER B 13 -3.540 -4.165 -24.435 0.19 6.55 C +ANISOU 1051 CB ASER B 13 1281 679 531 219 -201 -24 C +ATOM 1052 CB BSER B 13 -3.672 -4.195 -24.400 0.81 7.43 C +ANISOU 1052 CB BSER B 13 1396 742 687 -108 -156 -66 C +ATOM 1053 OG ASER B 13 -4.750 -3.483 -24.698 0.19 6.74 O +ANISOU 1053 OG ASER B 13 1394 676 490 407 -264 -105 O +ATOM 1054 OG BSER B 13 -3.685 -5.253 -25.335 0.81 9.69 O +ANISOU 1054 OG BSER B 13 1883 1022 776 104 -173 -109 O +ATOM 1055 H ASER B 13 -3.398 -2.867 -22.381 0.19 6.90 H +ATOM 1056 H BSER B 13 -3.386 -2.872 -22.390 0.81 6.28 H +ATOM 1057 HA ASER B 13 -4.323 -5.253 -22.863 0.19 7.48 H +ATOM 1058 HA BSER B 13 -4.325 -5.278 -22.776 0.81 7.58 H +ATOM 1059 HB2ASER B 13 -2.802 -3.544 -24.542 0.19 7.86 H +ATOM 1060 HB2BSER B 13 -4.506 -3.702 -24.465 0.81 8.92 H +ATOM 1061 HB3ASER B 13 -3.449 -4.895 -25.066 0.19 7.86 H +ATOM 1062 HB3BSER B 13 -2.923 -3.610 -24.591 0.81 8.92 H +ATOM 1063 HG ASER B 13 -5.235 -3.507 -24.037 0.19 8.08 H +ATOM 1064 HG BSER B 13 -3.612 -5.972 -24.947 0.81 11.63 H +ATOM 1065 N PHE B 14 -1.126 -5.065 -22.764 1.00 6.14 N +ANISOU 1065 N PHE B 14 1095 479 758 59 -204 59 N +ATOM 1066 CA APHE B 14 0.112 -5.828 -22.674 0.47 7.09 C +ANISOU 1066 CA APHE B 14 1323 519 849 67 -100 -10 C +ATOM 1067 CA BPHE B 14 0.109 -5.824 -22.685 0.53 7.46 C +ANISOU 1067 CA BPHE B 14 1420 539 873 50 -112 -76 C +ATOM 1068 C PHE B 14 0.102 -6.741 -21.461 1.00 7.07 C +ANISOU 1068 C PHE B 14 1332 460 894 19 -200 37 C +ATOM 1069 O PHE B 14 0.501 -7.889 -21.544 1.00 7.87 O +ANISOU 1069 O PHE B 14 1403 553 1034 209 -84 28 O +ATOM 1070 CB APHE B 14 1.323 -4.891 -22.632 0.47 6.86 C +ANISOU 1070 CB APHE B 14 1189 559 859 124 -40 -27 C +ATOM 1071 CB BPHE B 14 1.275 -4.835 -22.678 0.53 7.84 C +ANISOU 1071 CB BPHE B 14 1461 592 925 130 -97 -220 C +ATOM 1072 CG APHE B 14 2.612 -5.534 -23.067 0.47 6.59 C +ANISOU 1072 CG APHE B 14 1080 588 838 84 -41 39 C +ATOM 1073 CG BPHE B 14 2.641 -5.456 -22.765 0.53 8.79 C +ANISOU 1073 CG BPHE B 14 1699 693 948 -7 -153 -260 C +ATOM 1074 CD1APHE B 14 3.198 -5.188 -24.276 0.47 7.53 C +ANISOU 1074 CD1APHE B 14 1093 909 858 167 -73 83 C +ATOM 1075 CD1BPHE B 14 3.751 -4.644 -22.640 0.53 10.62 C +ANISOU 1075 CD1BPHE B 14 1896 1100 1040 -30 -51 -165 C +ATOM 1076 CD2APHE B 14 3.239 -6.477 -22.280 0.47 7.18 C +ANISOU 1076 CD2APHE B 14 1053 819 856 51 1 130 C +ATOM 1077 CD2BPHE B 14 2.833 -6.811 -22.974 0.53 9.27 C +ANISOU 1077 CD2BPHE B 14 1612 921 989 72 -301 -212 C +ATOM 1078 CE1APHE B 14 4.377 -5.773 -24.688 0.47 8.55 C +ANISOU 1078 CE1APHE B 14 1340 1003 906 -111 -20 72 C +ATOM 1079 CE1BPHE B 14 5.018 -5.161 -22.704 0.53 10.89 C +ANISOU 1079 CE1BPHE B 14 1690 1346 1101 -131 -20 -88 C +ATOM 1080 CE2APHE B 14 4.421 -7.066 -22.693 0.47 7.32 C +ANISOU 1080 CE2APHE B 14 1127 752 901 32 -148 108 C +ATOM 1081 CE2BPHE B 14 4.112 -7.335 -23.051 0.53 10.00 C +ANISOU 1081 CE2BPHE B 14 1650 1123 1025 -19 -283 -193 C +ATOM 1082 CZ APHE B 14 4.988 -6.710 -23.889 0.47 7.57 C +ANISOU 1082 CZ APHE B 14 1065 902 910 62 -124 -36 C +ATOM 1083 CZ BPHE B 14 5.200 -6.511 -22.910 0.53 11.04 C +ANISOU 1083 CZ BPHE B 14 1695 1401 1098 134 -60 -27 C +ATOM 1084 H APHE B 14 -1.014 -4.213 -22.731 0.47 6.90 H +ATOM 1085 H BPHE B 14 -1.015 -4.213 -22.725 0.53 6.84 H +ATOM 1086 HA APHE B 14 0.196 -6.391 -23.473 0.47 8.50 H +ATOM 1087 HA BPHE B 14 0.192 -6.385 -23.484 0.53 8.95 H +ATOM 1088 HB2APHE B 14 1.155 -4.138 -23.220 0.47 8.24 H +ATOM 1089 HB2BPHE B 14 1.177 -4.238 -23.436 0.53 9.41 H +ATOM 1090 HB3APHE B 14 1.442 -4.577 -21.722 0.47 8.24 H +ATOM 1091 HB3BPHE B 14 1.240 -4.323 -21.854 0.53 9.41 H +ATOM 1092 HD1APHE B 14 2.788 -4.554 -24.819 0.47 9.04 H +ATOM 1093 HD1BPHE B 14 3.636 -3.733 -22.496 0.53 12.74 H +ATOM 1094 HD2APHE B 14 2.861 -6.723 -21.467 0.47 8.61 H +ATOM 1095 HD2BPHE B 14 2.097 -7.372 -23.065 0.53 11.12 H +ATOM 1096 HE1APHE B 14 4.760 -5.531 -25.501 0.47 10.26 H +ATOM 1097 HE1BPHE B 14 5.755 -4.600 -22.616 0.53 13.07 H +ATOM 1098 HE2APHE B 14 4.836 -7.699 -22.154 0.47 8.78 H +ATOM 1099 HE2BPHE B 14 4.233 -8.247 -23.187 0.53 12.00 H +ATOM 1100 HZ APHE B 14 5.784 -7.107 -24.162 0.47 9.09 H +ATOM 1101 HZ BPHE B 14 6.060 -6.862 -22.961 0.53 13.24 H +ATOM 1102 N ILE B 15 -0.360 -6.221 -20.328 1.00 7.09 N +ANISOU 1102 N ILE B 15 1510 413 770 28 -251 53 N +ATOM 1103 CA ILE B 15 -0.474 -7.025 -19.128 1.00 7.73 C +ANISOU 1103 CA ILE B 15 1763 483 690 183 -206 -32 C +ATOM 1104 C ILE B 15 -1.328 -8.270 -19.389 1.00 6.95 C +ANISOU 1104 C ILE B 15 1508 435 698 212 -108 13 C +ATOM 1105 O ILE B 15 -0.943 -9.383 -19.039 1.00 7.94 O +ANISOU 1105 O ILE B 15 1714 512 790 279 64 -28 O +ATOM 1106 CB ILE B 15 -1.044 -6.174 -17.994 1.00 10.51 C +ANISOU 1106 CB ILE B 15 2515 725 752 343 -283 -64 C +ATOM 1107 CG1 ILE B 15 0.034 -5.196 -17.496 1.00 11.07 C +ANISOU 1107 CG1 ILE B 15 2519 800 889 220 -523 -141 C +ATOM 1108 CG2 ILE B 15 -1.542 -7.056 -16.871 1.00 12.34 C +ANISOU 1108 CG2 ILE B 15 3034 881 774 267 -2 -24 C +ATOM 1109 CD1 ILE B 15 -0.483 -4.066 -16.648 1.00 12.03 C +ANISOU 1109 CD1 ILE B 15 2793 890 888 182 -508 -103 C +ATOM 1110 H ILE B 15 -0.613 -5.405 -20.232 1.00 8.50 H +ATOM 1111 HA ILE B 15 0.420 -7.324 -18.859 1.00 9.27 H +ATOM 1112 HB ILE B 15 -1.792 -5.661 -18.338 1.00 12.61 H +ATOM 1113 HG12 ILE B 15 0.679 -5.690 -16.966 1.00 13.29 H +ATOM 1114 HG13 ILE B 15 0.477 -4.806 -18.266 1.00 13.29 H +ATOM 1115 HG21 ILE B 15 -1.895 -6.501 -16.171 1.00 14.81 H +ATOM 1116 HG22 ILE B 15 -2.230 -7.634 -17.209 1.00 14.81 H +ATOM 1117 HG23 ILE B 15 -0.809 -7.579 -16.537 1.00 14.81 H +ATOM 1118 HD11 ILE B 15 0.254 -3.510 -16.385 1.00 14.44 H +ATOM 1119 HD12 ILE B 15 -1.113 -3.554 -17.161 1.00 14.44 H +ATOM 1120 HD13 ILE B 15 -0.913 -4.430 -15.871 1.00 14.44 H +ATOM 1121 N HIS B 16 -2.493 -8.112 -19.997 1.00 6.95 N +ANISOU 1121 N HIS B 16 1356 441 842 186 37 -60 N +ATOM 1122 CA HIS B 16 -3.332 -9.277 -20.270 1.00 7.55 C +ANISOU 1122 CA HIS B 16 1187 624 1057 199 208 -114 C +ATOM 1123 C HIS B 16 -2.653 -10.235 -21.240 1.00 7.53 C +ANISOU 1123 C HIS B 16 1174 558 1127 58 97 -109 C +ATOM 1124 O HIS B 16 -2.747 -11.449 -21.089 1.00 8.84 O +ANISOU 1124 O HIS B 16 1479 462 1418 83 156 -121 O +ATOM 1125 CB HIS B 16 -4.706 -8.852 -20.780 1.00 8.27 C +ANISOU 1125 CB HIS B 16 1191 774 1178 210 259 -86 C +ATOM 1126 CG HIS B 16 -5.612 -8.365 -19.690 1.00 8.51 C +ANISOU 1126 CG HIS B 16 1194 813 1227 168 235 -38 C +ATOM 1127 ND1 HIS B 16 -6.414 -9.210 -18.954 1.00 10.81 N +ANISOU 1127 ND1 HIS B 16 1928 816 1362 -76 393 -30 N +ATOM 1128 CD2 HIS B 16 -5.819 -7.122 -19.191 1.00 7.96 C +ANISOU 1128 CD2 HIS B 16 1096 726 1200 325 339 -143 C +ATOM 1129 CE1 HIS B 16 -7.082 -8.510 -18.056 1.00 10.37 C +ANISOU 1129 CE1 HIS B 16 1922 652 1364 103 470 -102 C +ATOM 1130 NE2 HIS B 16 -6.740 -7.241 -18.180 1.00 8.92 N +ANISOU 1130 NE2 HIS B 16 1328 767 1294 113 485 -17 N +ATOM 1131 H HIS B 16 -2.819 -7.360 -20.259 1.00 8.33 H +ATOM 1132 HA HIS B 16 -3.469 -9.761 -19.430 1.00 9.06 H +ATOM 1133 HB2 HIS B 16 -4.596 -8.133 -21.421 1.00 9.93 H +ATOM 1134 HB3 HIS B 16 -5.133 -9.613 -21.205 1.00 9.93 H +ATOM 1135 HD1 HIS B 16 -6.471 -10.061 -19.063 1.00 12.97 H +ATOM 1136 HD2 HIS B 16 -5.416 -6.336 -19.482 1.00 9.55 H +ATOM 1137 HE1 HIS B 16 -7.694 -8.852 -17.444 1.00 12.44 H +ATOM 1138 N GLN B 17 -1.931 -9.716 -22.214 1.00 6.71 N +ANISOU 1138 N GLN B 17 1232 418 900 134 19 -164 N +ATOM 1139 CA AGLN B 17 -1.213 -10.538 -23.200 0.55 7.06 C +ANISOU 1139 CA AGLN B 17 1328 514 839 158 -166 -162 C +ATOM 1140 CA BGLN B 17 -1.298 -10.628 -23.136 0.45 7.27 C +ANISOU 1140 CA BGLN B 17 1343 596 824 229 -171 -174 C +ATOM 1141 C GLN B 17 -0.076 -11.305 -22.529 1.00 6.44 C +ANISOU 1141 C GLN B 17 1232 455 761 135 -41 -70 C +ATOM 1142 O GLN B 17 0.167 -12.473 -22.801 1.00 7.55 O +ANISOU 1142 O GLN B 17 1495 653 720 146 -130 -193 O +ATOM 1143 CB AGLN B 17 -0.631 -9.668 -24.330 0.55 8.87 C +ANISOU 1143 CB AGLN B 17 1747 754 870 312 -256 -140 C +ATOM 1144 CB BGLN B 17 -1.016 -9.918 -24.434 0.45 7.85 C +ANISOU 1144 CB BGLN B 17 1517 633 831 355 -253 -163 C +ATOM 1145 CG AGLN B 17 -1.652 -9.063 -25.297 0.55 10.44 C +ANISOU 1145 CG AGLN B 17 1853 1139 976 267 -286 -111 C +ATOM 1146 CG BGLN B 17 -2.315 -9.450 -25.036 0.45 8.29 C +ANISOU 1146 CG BGLN B 17 1791 509 849 221 -156 -57 C +ATOM 1147 CD AGLN B 17 -2.406 -10.112 -26.097 0.55 11.39 C +ANISOU 1147 CD AGLN B 17 1959 1301 1068 140 -371 -124 C +ATOM 1148 CD BGLN B 17 -2.126 -8.936 -26.412 0.45 9.57 C +ANISOU 1148 CD BGLN B 17 2194 560 883 -31 -7 -47 C +ATOM 1149 OE1AGLN B 17 -1.839 -11.113 -26.521 0.55 11.73 O +ANISOU 1149 OE1AGLN B 17 2093 1367 996 -134 -358 -278 O +ATOM 1150 OE1BGLN B 17 -1.966 -9.706 -27.351 0.45 10.57 O +ANISOU 1150 OE1BGLN B 17 2454 665 899 34 69 -116 O +ATOM 1151 NE2AGLN B 17 -3.695 -9.881 -26.307 0.55 14.52 N +ANISOU 1151 NE2AGLN B 17 2406 1865 1247 17 -297 -177 N +ATOM 1152 NE2BGLN B 17 -2.104 -7.627 -26.551 0.45 9.70 N +ANISOU 1152 NE2BGLN B 17 2206 567 913 -52 -9 60 N +ATOM 1153 H AGLN B 17 -1.831 -8.871 -22.336 0.55 7.50 H +ATOM 1154 H BGLN B 17 -1.796 -8.879 -22.358 0.45 7.60 H +ATOM 1155 HA AGLN B 17 -1.833 -11.187 -23.596 0.55 8.47 H +ATOM 1156 HA BGLN B 17 -1.940 -11.340 -23.339 0.45 8.73 H +ATOM 1157 HB2AGLN B 17 -0.141 -8.933 -23.929 0.55 10.65 H +ATOM 1158 HB2BGLN B 17 -0.454 -9.144 -24.268 0.45 9.42 H +ATOM 1159 HB3AGLN B 17 -0.023 -10.213 -24.854 0.55 10.65 H +ATOM 1160 HB3BGLN B 17 -0.587 -10.527 -25.054 0.45 9.42 H +ATOM 1161 HG2AGLN B 17 -2.300 -8.550 -24.790 0.55 12.53 H +ATOM 1162 HG2BGLN B 17 -2.937 -10.194 -25.072 0.45 9.95 H +ATOM 1163 HG3AGLN B 17 -1.189 -8.485 -25.923 0.55 12.53 H +ATOM 1164 HG3BGLN B 17 -2.681 -8.735 -24.492 0.45 9.95 H +ATOM 1165 HE21AGLN B 17 -4.060 -9.167 -25.996 0.55 17.43 H +ATOM 1166 HE21BGLN B 17 -2.197 -7.119 -25.863 0.45 11.64 H +ATOM 1167 HE22AGLN B 17 -4.166 -10.444 -26.755 0.55 17.43 H +ATOM 1168 HE22BGLN B 17 -1.997 -7.280 -27.331 0.45 11.64 H +ATOM 1169 N ALA B 18 0.663 -10.615 -21.670 1.00 6.81 N +ANISOU 1169 N ALA B 18 1292 504 792 116 -138 -63 N +ATOM 1170 CA ALA B 18 1.756 -11.266 -20.961 1.00 8.16 C +ANISOU 1170 CA ALA B 18 1511 638 952 297 -356 -81 C +ATOM 1171 C ALA B 18 1.205 -12.354 -20.034 1.00 8.42 C +ANISOU 1171 C ALA B 18 1708 596 895 357 -357 -58 C +ATOM 1172 O ALA B 18 1.774 -13.443 -19.925 1.00 9.22 O +ANISOU 1172 O ALA B 18 1940 669 896 406 -343 -39 O +ATOM 1173 CB ALA B 18 2.559 -10.237 -20.179 1.00 10.16 C +ANISOU 1173 CB ALA B 18 1678 1033 1150 209 -354 -34 C +ATOM 1174 H ALA B 18 0.556 -9.783 -21.482 1.00 8.17 H +ATOM 1175 HA ALA B 18 2.354 -11.692 -21.610 1.00 9.79 H +ATOM 1176 HB1 ALA B 18 3.274 -10.683 -19.718 1.00 12.19 H +ATOM 1177 HB2 ALA B 18 2.917 -9.590 -20.791 1.00 12.19 H +ATOM 1178 HB3 ALA B 18 1.981 -9.805 -19.546 1.00 12.19 H +ATOM 1179 N LYS B 19 0.080 -12.077 -19.385 1.00 9.37 N +ANISOU 1179 N LYS B 19 2031 650 879 391 -35 61 N +ATOM 1180 CA LYS B 19 -0.544 -13.069 -18.523 1.00 11.58 C +ANISOU 1180 CA LYS B 19 2475 830 1094 424 454 -18 C +ATOM 1181 C LYS B 19 -0.961 -14.293 -19.345 1.00 10.90 C +ANISOU 1181 C LYS B 19 2292 662 1189 272 363 0 C +ATOM 1182 O LYS B 19 -0.824 -15.431 -18.891 1.00 11.62 O +ANISOU 1182 O LYS B 19 2478 717 1220 287 435 120 O +ATOM 1183 CB LYS B 19 -1.752 -12.476 -17.787 1.00 15.34 C +ANISOU 1183 CB LYS B 19 3349 1155 1323 579 749 68 C +ATOM 1184 CG LYS B 19 -2.295 -13.424 -16.700 1.00 20.40 C +ANISOU 1184 CG LYS B 19 4172 2003 1579 695 1012 94 C +ATOM 1185 CD LYS B 19 -3.722 -13.114 -16.265 1.00 26.31 C +ANISOU 1185 CD LYS B 19 5356 2851 1790 500 950 311 C +ATOM 1186 CE LYS B 19 -4.512 -14.392 -15.967 1.00 29.12 C +ANISOU 1186 CE LYS B 19 5946 3181 1938 505 899 440 C +ATOM 1187 NZ LYS B 19 -4.758 -15.225 -17.188 1.00 30.52 N +ANISOU 1187 NZ LYS B 19 6046 3547 2001 629 1060 613 N +ATOM 1188 H LYS B 19 -0.339 -11.327 -19.428 1.00 11.24 H +ATOM 1189 HA LYS B 19 0.106 -13.362 -17.851 1.00 13.89 H +ATOM 1190 HB2 LYS B 19 -1.487 -11.647 -17.359 1.00 18.40 H +ATOM 1191 HB3 LYS B 19 -2.463 -12.310 -18.425 1.00 18.40 H +ATOM 1192 HG2 LYS B 19 -2.281 -14.332 -17.043 1.00 24.49 H +ATOM 1193 HG3 LYS B 19 -1.727 -13.360 -15.917 1.00 24.49 H +ATOM 1194 HD2 LYS B 19 -3.700 -12.576 -15.459 1.00 31.57 H +ATOM 1195 HD3 LYS B 19 -4.176 -12.636 -16.976 1.00 31.57 H +ATOM 1196 HE2 LYS B 19 -4.014 -14.931 -15.333 1.00 34.95 H +ATOM 1197 HE3 LYS B 19 -5.373 -14.150 -15.591 1.00 34.95 H +ATOM 1198 HZ1 LYS B 19 -5.219 -15.955 -16.971 1.00 36.62 H +ATOM 1199 HZ2 LYS B 19 -5.223 -14.757 -17.786 1.00 36.62 H +ATOM 1200 HZ3 LYS B 19 -3.983 -15.469 -17.551 1.00 36.62 H +ATOM 1201 N ALA B 20 -1.445 -14.060 -20.561 1.00 9.36 N +ANISOU 1201 N ALA B 20 1642 657 1258 97 36 63 N +ATOM 1202 CA ALA B 20 -1.894 -15.122 -21.456 1.00 8.99 C +ANISOU 1202 CA ALA B 20 1571 544 1300 -146 -170 -41 C +ATOM 1203 C ALA B 20 -0.742 -16.023 -21.907 1.00 8.28 C +ANISOU 1203 C ALA B 20 1510 488 1146 263 -65 -77 C +ATOM 1204 O ALA B 20 -0.974 -17.088 -22.471 1.00 9.86 O +ANISOU 1204 O ALA B 20 1884 529 1334 199 -225 -26 O +ATOM 1205 CB ALA B 20 -2.586 -14.508 -22.652 1.00 10.16 C +ANISOU 1205 CB ALA B 20 1855 598 1407 135 -402 -23 C +ATOM 1206 H ALA B 20 -1.524 -13.274 -20.899 1.00 11.23 H +ATOM 1207 HA ALA B 20 -2.546 -15.681 -20.983 1.00 10.79 H +ATOM 1208 HB1 ALA B 20 -2.879 -15.209 -23.237 1.00 12.19 H +ATOM 1209 HB2 ALA B 20 -3.340 -13.997 -22.348 1.00 12.19 H +ATOM 1210 HB3 ALA B 20 -1.966 -13.935 -23.111 1.00 12.19 H +ATOM 1211 N ALA B 21 0.494 -15.596 -21.652 1.00 8.26 N +ANISOU 1211 N ALA B 21 1553 667 917 263 -117 -42 N +ATOM 1212 CA ALA B 21 1.695 -16.371 -21.949 1.00 8.42 C +ANISOU 1212 CA ALA B 21 1551 771 877 412 -154 -75 C +ATOM 1213 C ALA B 21 2.361 -16.878 -20.668 1.00 10.06 C +ANISOU 1213 C ALA B 21 1941 827 1055 553 -364 -153 C +ATOM 1214 O ALA B 21 3.410 -17.529 -20.718 1.00 11.97 O +ANISOU 1214 O ALA B 21 2262 1108 1179 615 -426 -54 O +ATOM 1215 CB ALA B 21 2.666 -15.525 -22.721 1.00 10.19 C +ANISOU 1215 CB ALA B 21 1775 1218 879 307 10 125 C +ATOM 1216 H ALA B 21 0.666 -14.833 -21.294 1.00 9.91 H +ATOM 1217 HA ALA B 21 1.453 -17.145 -22.499 1.00 10.11 H +ATOM 1218 HB1 ALA B 21 3.451 -16.045 -22.910 1.00 12.23 H +ATOM 1219 HB2 ALA B 21 2.253 -15.246 -23.542 1.00 12.23 H +ATOM 1220 HB3 ALA B 21 2.901 -14.758 -22.194 1.00 12.23 H +ATOM 1221 N GLY B 22 1.770 -16.583 -19.513 1.00 11.61 N +ANISOU 1221 N GLY B 22 2349 937 1125 635 -395 -57 N +ATOM 1222 CA GLY B 22 2.325 -17.034 -18.244 1.00 13.68 C +ANISOU 1222 CA GLY B 22 2791 1121 1287 693 -636 -93 C +ATOM 1223 C GLY B 22 3.524 -16.244 -17.765 1.00 14.82 C +ANISOU 1223 C GLY B 22 2927 1237 1468 769 -803 -176 C +ATOM 1224 O GLY B 22 4.279 -16.701 -16.907 1.00 16.98 O +ANISOU 1224 O GLY B 22 3348 1456 1649 839 -1035 -234 O +ATOM 1225 H GLY B 22 1.048 -16.123 -19.439 1.00 13.93 H +ATOM 1226 HA2 GLY B 22 1.638 -16.979 -17.562 1.00 16.42 H +ATOM 1227 HA3 GLY B 22 2.592 -17.962 -18.329 1.00 16.42 H +ATOM 1228 N ARG B 23 3.698 -15.043 -18.292 1.00 14.51 N +ANISOU 1228 N ARG B 23 2799 1143 1570 690 -943 -302 N +ATOM 1229 CA AARG B 23 4.836 -14.201 -17.948 0.46 14.15 C +ANISOU 1229 CA AARG B 23 2523 1257 1596 796 -921 -407 C +ATOM 1230 CA BARG B 23 4.840 -14.226 -17.919 0.54 14.58 C +ANISOU 1230 CA BARG B 23 2568 1330 1642 850 -935 -474 C +ATOM 1231 C ARG B 23 4.483 -13.343 -16.725 1.00 14.86 C +ANISOU 1231 C ARG B 23 2778 1230 1639 717 -1000 -470 C +ATOM 1232 O ARG B 23 4.464 -12.101 -16.808 1.00 15.96 O +ANISOU 1232 O ARG B 23 3112 1280 1673 760 -971 -441 O +ATOM 1233 CB AARG B 23 5.227 -13.325 -19.150 0.46 14.21 C +ANISOU 1233 CB AARG B 23 2365 1394 1641 795 -762 -341 C +ATOM 1234 CB BARG B 23 5.307 -13.431 -19.128 0.54 15.11 C +ANISOU 1234 CB BARG B 23 2418 1558 1766 998 -811 -519 C +ATOM 1235 CG AARG B 23 6.334 -13.891 -20.067 0.46 13.95 C +ANISOU 1235 CG AARG B 23 2175 1504 1621 479 -631 -191 C +ATOM 1236 CG BARG B 23 5.434 -14.326 -20.354 0.54 16.11 C +ANISOU 1236 CG BARG B 23 2529 1748 1843 1024 -683 -467 C +ATOM 1237 CD AARG B 23 5.979 -15.217 -20.752 0.46 14.17 C +ANISOU 1237 CD AARG B 23 2235 1552 1595 480 -522 -34 C +ATOM 1238 CD BARG B 23 5.848 -13.552 -21.572 0.54 17.81 C +ANISOU 1238 CD BARG B 23 2791 2077 1900 704 -537 -268 C +ATOM 1239 NE AARG B 23 7.085 -15.700 -21.587 0.46 14.79 N +ANISOU 1239 NE AARG B 23 2395 1612 1612 323 -435 65 N +ATOM 1240 NE BARG B 23 7.117 -12.884 -21.339 0.54 18.53 N +ANISOU 1240 NE BARG B 23 2963 2153 1925 34 -442 -189 N +ATOM 1241 CZ AARG B 23 7.090 -16.852 -22.252 0.46 14.06 C +ANISOU 1241 CZ AARG B 23 2125 1610 1608 653 -405 27 C +ATOM 1242 CZ BARG B 23 8.300 -13.481 -21.428 0.54 18.85 C +ANISOU 1242 CZ BARG B 23 2928 2281 1952 -238 -396 -185 C +ATOM 1243 NH1AARG B 23 8.145 -17.198 -22.978 0.46 15.75 N +ANISOU 1243 NH1AARG B 23 2709 1665 1609 361 -272 -111 N +ATOM 1244 NH1BARG B 23 8.383 -14.763 -21.756 0.54 18.47 N +ANISOU 1244 NH1BARG B 23 2737 2330 1949 -210 -397 -149 N +ATOM 1245 NH2AARG B 23 6.055 -17.669 -22.182 0.46 14.11 N +ANISOU 1245 NH2AARG B 23 2047 1721 1594 778 -680 3 N +ATOM 1246 NH2BARG B 23 9.405 -12.791 -21.188 0.54 20.70 N +ANISOU 1246 NH2BARG B 23 3189 2691 1985 -406 -365 -160 N +ATOM 1247 H AARG B 23 3.162 -14.685 -18.861 0.46 16.95 H +ATOM 1248 H BARG B 23 3.171 -14.678 -18.866 0.54 16.87 H +ATOM 1249 HA AARG B 23 5.601 -14.768 -17.717 0.46 16.98 H +ATOM 1250 HA BARG B 23 5.575 -14.815 -17.646 0.54 17.50 H +ATOM 1251 HB2AARG B 23 4.438 -13.189 -19.698 0.46 17.05 H +ATOM 1252 HB2BARG B 23 4.661 -12.735 -19.324 0.54 18.13 H +ATOM 1253 HB3AARG B 23 5.538 -12.469 -18.815 0.46 17.05 H +ATOM 1254 HB3BARG B 23 6.176 -13.043 -18.942 0.54 18.13 H +ATOM 1255 HG2AARG B 23 6.522 -13.242 -20.763 0.46 16.74 H +ATOM 1256 HG2BARG B 23 6.105 -15.005 -20.185 0.54 19.33 H +ATOM 1257 HG3AARG B 23 7.131 -14.039 -19.535 0.46 16.74 H +ATOM 1258 HG3BARG B 23 4.576 -14.741 -20.536 0.54 19.33 H +ATOM 1259 HD2AARG B 23 5.794 -15.888 -20.076 0.46 17.00 H +ATOM 1260 HD2BARG B 23 5.953 -14.159 -22.321 0.54 21.38 H +ATOM 1261 HD3AARG B 23 5.203 -15.088 -21.319 0.46 17.00 H +ATOM 1262 HD3BARG B 23 5.178 -12.879 -21.772 0.54 21.38 H +ATOM 1263 HE AARG B 23 7.782 -15.200 -21.651 0.46 17.75 H +ATOM 1264 HE BARG B 23 7.098 -12.062 -21.087 0.54 22.24 H +ATOM 1265 HH11AARG B 23 8.824 -16.673 -23.027 0.46 18.89 H +ATOM 1266 HH11BARG B 23 7.668 -15.215 -21.910 0.54 22.16 H +ATOM 1267 HH12AARG B 23 8.146 -17.945 -23.405 0.46 18.89 H +ATOM 1268 HH12BARG B 23 9.153 -15.144 -21.813 0.54 22.16 H +ATOM 1269 HH21AARG B 23 5.368 -17.453 -21.712 0.46 16.94 H +ATOM 1270 HH21BARG B 23 9.355 -11.959 -20.977 0.54 24.84 H +ATOM 1271 HH22AARG B 23 6.064 -18.413 -22.613 0.46 16.94 H +ATOM 1272 HH22BARG B 23 10.173 -13.174 -21.249 0.54 24.84 H +ATOM 1273 N MET B 24 4.195 -14.002 -15.601 1.00 17.08 N +ANISOU 1273 N MET B 24 3388 1404 1699 768 -1048 -484 N +ATOM 1274 CA MET B 24 3.668 -13.306 -14.420 1.00 18.02 C +ANISOU 1274 CA MET B 24 3798 1408 1642 845 -1121 -363 C +ATOM 1275 C MET B 24 4.646 -12.341 -13.755 1.00 18.05 C +ANISOU 1275 C MET B 24 3817 1364 1676 759 -1186 -339 C +ATOM 1276 O MET B 24 4.223 -11.349 -13.159 1.00 17.93 O +ANISOU 1276 O MET B 24 3951 1265 1595 603 -1138 -244 O +ATOM 1277 CB MET B 24 3.107 -14.291 -13.382 1.00 19.67 C +ANISOU 1277 CB MET B 24 4245 1506 1723 912 -1057 -323 C +ATOM 1278 CG MET B 24 1.725 -14.852 -13.738 1.00 22.49 C +ANISOU 1278 CG MET B 24 4991 1730 1822 845 -993 -393 C +ATOM 1279 SD MET B 24 0.431 -13.621 -14.025 1.00 24.41 S +ANISOU 1279 SD MET B 24 5541 1906 1828 927 -1050 -169 S +ATOM 1280 CE MET B 24 0.577 -12.604 -12.558 1.00 23.66 C +ANISOU 1280 CE MET B 24 5266 1835 1889 935 -1013 -78 C +ATOM 1281 H MET B 24 4.295 -14.849 -15.494 1.00 20.50 H +ATOM 1282 HA MET B 24 2.904 -12.772 -14.724 1.00 21.63 H +ATOM 1283 HB2 MET B 24 3.718 -15.040 -13.300 1.00 23.61 H +ATOM 1284 HB3 MET B 24 3.031 -13.835 -12.529 1.00 23.61 H +ATOM 1285 HG2 MET B 24 1.808 -15.380 -14.547 1.00 26.98 H +ATOM 1286 HG3 MET B 24 1.428 -15.421 -13.010 1.00 26.98 H +ATOM 1287 HE1 MET B 24 -0.074 -11.901 -12.599 1.00 28.39 H +ATOM 1288 HE2 MET B 24 0.423 -13.150 -11.783 1.00 28.39 H +ATOM 1289 HE3 MET B 24 1.461 -12.231 -12.524 1.00 28.39 H +ATOM 1290 N AASP B 25 5.937 -12.638 -13.867 0.38 19.49 N +ANISOU 1290 N AASP B 25 4103 1576 1727 559 -1184 -361 N +ATOM 1291 N BASP B 25 5.945 -12.601 -13.842 0.62 18.39 N +ANISOU 1291 N BASP B 25 3751 1480 1756 546 -1235 -372 N +ATOM 1292 CA AASP B 25 6.980 -11.746 -13.375 0.38 21.51 C +ANISOU 1292 CA AASP B 25 4534 1898 1739 552 -1175 -334 C +ATOM 1293 CA BASP B 25 6.891 -11.641 -13.274 0.62 19.45 C +ANISOU 1293 CA BASP B 25 3922 1677 1792 688 -1292 -325 C +ATOM 1294 C AASP B 25 6.876 -10.394 -14.077 0.38 21.07 C +ANISOU 1294 C AASP B 25 4537 1781 1688 870 -1091 -367 C +ATOM 1295 C BASP B 25 6.904 -10.338 -14.078 0.62 20.05 C +ANISOU 1295 C BASP B 25 4226 1685 1706 963 -1155 -358 C +ATOM 1296 O AASP B 25 6.800 -9.343 -13.440 0.38 21.19 O +ANISOU 1296 O AASP B 25 4612 1755 1683 725 -1056 -364 O +ATOM 1297 O BASP B 25 6.937 -9.249 -13.504 0.62 20.25 O +ANISOU 1297 O BASP B 25 4256 1751 1686 666 -1158 -344 O +ATOM 1298 CB AASP B 25 8.355 -12.369 -13.629 0.38 24.45 C +ANISOU 1298 CB AASP B 25 5044 2427 1818 237 -1139 -284 C +ATOM 1299 CB BASP B 25 8.298 -12.227 -13.160 0.62 21.32 C +ANISOU 1299 CB BASP B 25 4231 1994 1874 620 -1358 -287 C +ATOM 1300 CG AASP B 25 9.480 -11.593 -12.977 0.38 26.38 C +ANISOU 1300 CG AASP B 25 5388 2763 1873 -12 -1125 -278 C +ATOM 1301 CG BASP B 25 8.453 -13.133 -11.957 0.62 23.57 C +ANISOU 1301 CG BASP B 25 4630 2405 1921 576 -1377 -224 C +ATOM 1302 OD1AASP B 25 10.275 -10.968 -13.710 0.38 27.46 O +ANISOU 1302 OD1AASP B 25 5579 2936 1920 -120 -1084 -263 O +ATOM 1303 OD1BASP B 25 7.495 -13.256 -11.160 0.62 23.96 O +ANISOU 1303 OD1BASP B 25 4678 2434 1992 751 -1413 -198 O +ATOM 1304 OD2AASP B 25 9.569 -11.606 -11.732 0.38 26.79 O +ANISOU 1304 OD2AASP B 25 5373 2919 1886 -119 -1192 -315 O +ATOM 1305 OD2BASP B 25 9.544 -13.716 -11.794 0.62 24.53 O +ANISOU 1305 OD2BASP B 25 4744 2623 1953 320 -1380 -232 O +ATOM 1306 H AASP B 25 6.238 -13.358 -14.228 0.38 23.39 H +ATOM 1307 H BASP B 25 6.297 -13.295 -14.208 0.62 22.06 H +ATOM 1308 HA AASP B 25 6.870 -11.609 -12.410 0.38 25.81 H +ATOM 1309 HA BASP B 25 6.595 -11.420 -12.367 0.62 23.34 H +ATOM 1310 HB2AASP B 25 8.365 -13.270 -13.271 0.38 29.34 H +ATOM 1311 HB2BASP B 25 8.489 -12.748 -13.955 0.62 25.58 H +ATOM 1312 HB3AASP B 25 8.520 -12.391 -14.585 0.38 29.34 H +ATOM 1313 HB3BASP B 25 8.937 -11.503 -13.076 0.62 25.58 H +ATOM 1314 N GLU B 26 6.865 -10.443 -15.404 1.00 20.38 N +ANISOU 1314 N GLU B 26 4357 1743 1644 1158 -1026 -399 N +ATOM 1315 CA GLU B 26 6.756 -9.255 -16.245 1.00 20.04 C +ANISOU 1315 CA GLU B 26 4108 1979 1529 1206 -708 -392 C +ATOM 1316 C GLU B 26 5.440 -8.544 -15.969 1.00 17.13 C +ANISOU 1316 C GLU B 26 3587 1602 1317 1140 -459 -286 C +ATOM 1317 O GLU B 26 5.387 -7.307 -15.884 1.00 17.00 O +ANISOU 1317 O GLU B 26 3727 1379 1351 934 -117 -158 O +ATOM 1318 CB GLU B 26 6.840 -9.654 -17.720 1.00 22.07 C +ANISOU 1318 CB GLU B 26 4288 2401 1697 1342 -583 -373 C +ATOM 1319 CG GLU B 26 6.838 -8.491 -18.693 1.00 25.01 C +ANISOU 1319 CG GLU B 26 4733 2894 1877 866 -371 -377 C +ATOM 1320 CD GLU B 26 6.896 -8.960 -20.137 1.00 26.67 C +ANISOU 1320 CD GLU B 26 5007 3092 2035 508 -314 -392 C +ATOM 1321 OE1 GLU B 26 6.462 -10.098 -20.414 1.00 26.77 O +ANISOU 1321 OE1 GLU B 26 5096 2974 2102 583 -185 -457 O +ATOM 1322 OE2 GLU B 26 7.373 -8.195 -20.999 1.00 28.29 O +ANISOU 1322 OE2 GLU B 26 5187 3444 2119 219 -357 -306 O +ATOM 1323 H AGLU B 26 6.921 -11.174 -15.854 0.50 24.46 H +ATOM 1324 H BGLU B 26 6.900 -11.184 -15.838 0.50 24.46 H +ATOM 1325 HA GLU B 26 7.493 -8.641 -16.045 1.00 24.05 H +ATOM 1326 HB2 GLU B 26 7.660 -10.152 -17.859 1.00 26.49 H +ATOM 1327 HB3 GLU B 26 6.078 -10.216 -17.932 1.00 26.49 H +ATOM 1328 HG2 GLU B 26 6.023 -7.978 -18.575 1.00 30.02 H +ATOM 1329 HG3 GLU B 26 7.613 -7.933 -18.525 1.00 30.02 H +ATOM 1330 N VAL B 27 4.371 -9.323 -15.837 1.00 14.96 N +ANISOU 1330 N VAL B 27 3239 1332 1113 929 -608 -251 N +ATOM 1331 CA VAL B 27 3.062 -8.786 -15.497 1.00 14.29 C +ANISOU 1331 CA VAL B 27 3133 1166 1128 748 -703 -237 C +ATOM 1332 C VAL B 27 3.119 -7.929 -14.236 1.00 14.23 C +ANISOU 1332 C VAL B 27 3282 1042 1080 596 -520 -106 C +ATOM 1333 O VAL B 27 2.584 -6.816 -14.205 1.00 14.15 O +ANISOU 1333 O VAL B 27 3313 966 1099 476 -437 -90 O +ATOM 1334 CB VAL B 27 2.037 -9.920 -15.288 1.00 15.15 C +ANISOU 1334 CB VAL B 27 3359 1160 1238 683 -816 -236 C +ATOM 1335 CG1 VAL B 27 0.804 -9.427 -14.563 1.00 17.00 C +ANISOU 1335 CG1 VAL B 27 3824 1405 1231 660 -688 -213 C +ATOM 1336 CG2 VAL B 27 1.654 -10.555 -16.624 1.00 15.51 C +ANISOU 1336 CG2 VAL B 27 3147 1446 1300 928 -835 -323 C +ATOM 1337 H VAL B 27 4.380 -10.176 -15.940 1.00 17.95 H +ATOM 1338 HA VAL B 27 2.746 -8.222 -16.234 1.00 17.14 H +ATOM 1339 HB VAL B 27 2.449 -10.616 -14.735 1.00 18.18 H +ATOM 1340 HG11 VAL B 27 0.194 -10.159 -14.453 1.00 20.40 H +ATOM 1341 HG12 VAL B 27 1.063 -9.084 -13.705 1.00 20.40 H +ATOM 1342 HG13 VAL B 27 0.393 -8.733 -15.083 1.00 20.40 H +ATOM 1343 HG21 VAL B 27 1.017 -11.256 -16.465 1.00 18.61 H +ATOM 1344 HG22 VAL B 27 1.267 -9.883 -17.190 1.00 18.61 H +ATOM 1345 HG23 VAL B 27 2.442 -10.916 -17.036 1.00 18.61 H +ATOM 1346 N ARG B 28 3.758 -8.428 -13.189 1.00 14.70 N +ANISOU 1346 N ARG B 28 3487 1045 1053 531 -561 -117 N +ATOM 1347 CA ARG B 28 3.758 -7.676 -11.943 1.00 15.15 C +ANISOU 1347 CA ARG B 28 3619 1012 1125 360 -576 -99 C +ATOM 1348 C ARG B 28 4.531 -6.351 -12.091 1.00 14.82 C +ANISOU 1348 C ARG B 28 3201 1207 1223 708 -291 -278 C +ATOM 1349 O ARG B 28 4.111 -5.332 -11.536 1.00 15.13 O +ANISOU 1349 O ARG B 28 3300 1155 1294 423 -52 -333 O +ATOM 1350 CB ARG B 28 4.216 -8.560 -10.766 1.00 15.78 C +ANISOU 1350 CB ARG B 28 3657 1057 1280 233 -693 35 C +ATOM 1351 CG ARG B 28 3.125 -9.583 -10.355 1.00 17.53 C +ANISOU 1351 CG ARG B 28 3663 1537 1460 321 -872 193 C +ATOM 1352 CD ARG B 28 3.483 -10.397 -9.113 1.00 19.04 C +ANISOU 1352 CD ARG B 28 3823 1933 1478 272 -942 212 C +ATOM 1353 NE ARG B 28 4.284 -11.549 -9.473 1.00 22.56 N +ANISOU 1353 NE ARG B 28 4498 2562 1511 8 -808 208 N +ATOM 1354 CZ ARG B 28 3.803 -12.769 -9.669 1.00 23.42 C +ANISOU 1354 CZ ARG B 28 4373 2996 1530 -116 -887 286 C +ATOM 1355 NH1 ARG B 28 4.622 -13.737 -10.025 1.00 23.88 N +ANISOU 1355 NH1 ARG B 28 4366 3156 1553 -12 -798 248 N +ATOM 1356 NH2 ARG B 28 2.512 -13.033 -9.507 1.00 26.09 N +ANISOU 1356 NH2 ARG B 28 4734 3616 1564 152 -929 350 N +ATOM 1357 H ARG B 28 4.185 -9.174 -13.170 1.00 17.64 H +ATOM 1358 HA ARG B 28 2.829 -7.430 -11.752 1.00 18.18 H +ATOM 1359 HB2 ARG B 28 5.011 -9.052 -11.027 1.00 18.93 H +ATOM 1360 HB3 ARG B 28 4.408 -7.996 -10.000 1.00 18.93 H +ATOM 1361 HG2 ARG B 28 2.302 -9.104 -10.169 1.00 21.03 H +ATOM 1362 HG3 ARG B 28 2.987 -10.204 -11.087 1.00 21.03 H +ATOM 1363 HD2 ARG B 28 3.995 -9.846 -8.502 1.00 22.85 H +ATOM 1364 HD3 ARG B 28 2.669 -10.710 -8.687 1.00 22.85 H +ATOM 1365 HE ARG B 28 5.131 -11.434 -9.567 1.00 27.07 H +ATOM 1366 HH11 ARG B 28 5.461 -13.575 -10.124 1.00 28.66 H +ATOM 1367 HH12 ARG B 28 4.322 -14.534 -10.140 1.00 28.66 H +ATOM 1368 HH21 ARG B 28 1.970 -12.405 -9.283 1.00 31.31 H +ATOM 1369 HH22 ARG B 28 2.217 -13.831 -9.633 1.00 31.31 H +ATOM 1370 N THR B 29 5.616 -6.320 -12.862 1.00 15.11 N +ANISOU 1370 N THR B 29 2923 1516 1302 962 -292 -406 N +ATOM 1371 CA THR B 29 6.312 -5.052 -13.115 1.00 15.39 C +ANISOU 1371 CA THR B 29 2636 1863 1348 1087 -145 -378 C +ATOM 1372 C THR B 29 5.450 -4.105 -13.954 1.00 13.39 C +ANISOU 1372 C THR B 29 2300 1462 1324 814 -105 -403 C +ATOM 1373 O THR B 29 5.371 -2.907 -13.684 1.00 13.29 O +ANISOU 1373 O THR B 29 2138 1484 1426 431 -60 -380 O +ATOM 1374 CB THR B 29 7.650 -5.249 -13.844 1.00 18.92 C +ANISOU 1374 CB THR B 29 2972 2687 1529 1105 -80 -63 C +ATOM 1375 OG1 THR B 29 8.474 -6.143 -13.102 1.00 21.21 O +ANISOU 1375 OG1 THR B 29 3340 3116 1602 1265 -33 66 O +ATOM 1376 CG2 THR B 29 8.372 -3.911 -14.001 1.00 19.09 C +ANISOU 1376 CG2 THR B 29 2417 3217 1619 915 64 -11 C +ATOM 1377 H THR B 29 5.967 -7.005 -13.245 1.00 18.13 H +ATOM 1378 HA THR B 29 6.496 -4.615 -12.258 1.00 18.47 H +ATOM 1379 HB THR B 29 7.487 -5.616 -14.727 1.00 22.70 H +ATOM 1380 HG1 THR B 29 8.618 -5.837 -12.355 1.00 25.45 H +ATOM 1381 HG21 THR B 29 9.206 -4.039 -14.457 1.00 22.90 H +ATOM 1382 HG22 THR B 29 7.829 -3.303 -14.509 1.00 22.90 H +ATOM 1383 HG23 THR B 29 8.543 -3.528 -13.137 1.00 22.90 H +ATOM 1384 N LEU B 30 4.803 -4.645 -14.977 1.00 12.96 N +ANISOU 1384 N LEU B 30 2660 1037 1230 728 -303 -173 N +ATOM 1385 CA LEU B 30 3.952 -3.836 -15.831 1.00 12.36 C +ANISOU 1385 CA LEU B 30 2716 909 1072 544 -173 -56 C +ATOM 1386 C LEU B 30 2.772 -3.278 -15.036 1.00 10.68 C +ANISOU 1386 C LEU B 30 2447 732 880 402 -80 -18 C +ATOM 1387 O LEU B 30 2.318 -2.175 -15.321 1.00 9.96 O +ANISOU 1387 O LEU B 30 2327 653 806 313 -9 -10 O +ATOM 1388 CB LEU B 30 3.458 -4.648 -17.018 1.00 14.02 C +ANISOU 1388 CB LEU B 30 2987 1236 1106 643 -55 -114 C +ATOM 1389 CG LEU B 30 4.523 -5.020 -18.052 1.00 16.90 C +ANISOU 1389 CG LEU B 30 3526 1709 1187 1248 164 94 C +ATOM 1390 CD1 LEU B 30 3.946 -5.982 -19.066 1.00 18.46 C +ANISOU 1390 CD1 LEU B 30 3624 2124 1264 1373 143 -113 C +ATOM 1391 CD2 LEU B 30 5.067 -3.773 -18.738 1.00 19.67 C +ANISOU 1391 CD2 LEU B 30 3922 2291 1260 1204 386 174 C +ATOM 1392 H LEU B 30 4.840 -5.476 -15.196 1.00 15.56 H +ATOM 1393 HA LEU B 30 4.471 -3.080 -16.175 1.00 14.83 H +ATOM 1394 HB2 LEU B 30 3.074 -5.475 -16.686 1.00 16.83 H +ATOM 1395 HB3 LEU B 30 2.774 -4.136 -17.477 1.00 16.83 H +ATOM 1396 HG LEU B 30 5.260 -5.462 -17.603 1.00 20.28 H +ATOM 1397 HD11 LEU B 30 4.625 -6.205 -19.706 1.00 22.15 H +ATOM 1398 HD12 LEU B 30 3.651 -6.774 -18.611 1.00 22.15 H +ATOM 1399 HD13 LEU B 30 3.204 -5.561 -19.507 1.00 22.15 H +ATOM 1400 HD21 LEU B 30 5.731 -4.035 -19.380 1.00 23.60 H +ATOM 1401 HD22 LEU B 30 4.345 -3.320 -19.180 1.00 23.60 H +ATOM 1402 HD23 LEU B 30 5.458 -3.198 -18.076 1.00 23.60 H +ATOM 1403 N GLN B 31 2.257 -4.033 -14.067 1.00 11.17 N +ANISOU 1403 N GLN B 31 2648 746 851 350 -162 -46 N +ATOM 1404 CA GLN B 31 1.178 -3.529 -13.210 1.00 11.14 C +ANISOU 1404 CA GLN B 31 2426 862 946 204 -211 24 C +ATOM 1405 C GLN B 31 1.630 -2.279 -12.460 1.00 9.11 C +ANISOU 1405 C GLN B 31 2080 592 788 261 -244 -13 C +ATOM 1406 O GLN B 31 0.871 -1.319 -12.319 1.00 9.04 O +ANISOU 1406 O GLN B 31 1965 734 737 279 -70 20 O +ATOM 1407 CB GLN B 31 0.720 -4.596 -12.209 1.00 11.86 C +ANISOU 1407 CB GLN B 31 2616 758 1135 90 -253 182 C +ATOM 1408 CG GLN B 31 -0.076 -5.755 -12.809 1.00 15.10 C +ANISOU 1408 CG GLN B 31 3251 1113 1375 -299 -412 146 C +ATOM 1409 CD GLN B 31 -0.332 -6.860 -11.765 1.00 18.76 C +ANISOU 1409 CD GLN B 31 4184 1318 1627 -690 -383 167 C +ATOM 1410 OE1 GLN B 31 0.366 -6.952 -10.750 1.00 21.53 O +ANISOU 1410 OE1 GLN B 31 4736 1638 1809 -674 -507 451 O +ATOM 1411 NE2 GLN B 31 -1.339 -7.687 -12.011 1.00 19.92 N +ANISOU 1411 NE2 GLN B 31 4306 1523 1740 -902 -182 280 N +ATOM 1412 H GLN B 31 2.509 -4.835 -13.885 1.00 13.41 H +ATOM 1413 HA GLN B 31 0.410 -3.287 -13.769 1.00 13.37 H +ATOM 1414 HB2 GLN B 31 1.505 -4.973 -11.781 1.00 14.24 H +ATOM 1415 HB3 GLN B 31 0.159 -4.171 -11.542 1.00 14.24 H +ATOM 1416 HG2 GLN B 31 -0.934 -5.427 -13.121 1.00 18.12 H +ATOM 1417 HG3 GLN B 31 0.424 -6.142 -13.544 1.00 18.12 H +ATOM 1418 HE21 GLN B 31 -1.810 -7.591 -12.723 1.00 23.91 H +ATOM 1419 HE22 GLN B 31 -1.520 -8.320 -11.457 1.00 23.91 H +ATOM 1420 N GLU B 32 2.869 -2.286 -11.979 1.00 10.00 N +ANISOU 1420 N GLU B 32 2155 842 803 289 -372 -71 N +ATOM 1421 CA GLU B 32 3.420 -1.099 -11.334 1.00 10.16 C +ANISOU 1421 CA GLU B 32 2105 904 852 426 -330 -60 C +ATOM 1422 C GLU B 32 3.452 0.067 -12.319 1.00 8.68 C +ANISOU 1422 C GLU B 32 1672 843 785 369 -349 -122 C +ATOM 1423 O GLU B 32 3.052 1.180 -11.975 1.00 8.89 O +ANISOU 1423 O GLU B 32 1818 783 775 365 -215 -97 O +ATOM 1424 CB GLU B 32 4.817 -1.359 -10.791 1.00 13.48 C +ANISOU 1424 CB GLU B 32 2747 1283 1092 697 -400 111 C +ATOM 1425 CG GLU B 32 4.822 -2.348 -9.635 1.00 16.70 C +ANISOU 1425 CG GLU B 32 3076 1979 1291 740 -458 203 C +ATOM 1426 CD GLU B 32 6.205 -2.619 -9.085 1.00 23.26 C +ANISOU 1426 CD GLU B 32 4048 3219 1571 670 -272 363 C +ATOM 1427 OE1 GLU B 32 7.201 -2.251 -9.742 1.00 26.24 O +ANISOU 1427 OE1 GLU B 32 4450 3800 1721 500 -102 249 O +ATOM 1428 OE2 GLU B 32 6.293 -3.216 -7.995 1.00 26.99 O +ANISOU 1428 OE2 GLU B 32 4634 3879 1743 665 -340 446 O +ATOM 1429 H GLU B 32 3.406 -2.957 -12.012 1.00 12.00 H +ATOM 1430 HA GLU B 32 2.844 -0.846 -10.582 1.00 12.19 H +ATOM 1431 HB2 GLU B 32 5.369 -1.724 -11.500 1.00 16.18 H +ATOM 1432 HB3 GLU B 32 5.193 -0.524 -10.472 1.00 16.18 H +ATOM 1433 HG2 GLU B 32 4.279 -1.993 -8.915 1.00 20.04 H +ATOM 1434 HG3 GLU B 32 4.453 -3.191 -9.942 1.00 20.04 H +ATOM 1435 N ASN B 33 3.940 -0.170 -13.536 1.00 8.56 N +ANISOU 1435 N ASN B 33 1608 822 821 388 -250 -133 N +ATOM 1436 CA ASN B 33 3.969 0.888 -14.550 1.00 8.58 C +ANISOU 1436 CA ASN B 33 1447 980 834 374 -70 -67 C +ATOM 1437 C ASN B 33 2.553 1.425 -14.835 1.00 7.08 C +ANISOU 1437 C ASN B 33 1249 707 732 210 -54 -163 C +ATOM 1438 O ASN B 33 2.348 2.627 -14.967 1.00 7.18 O +ANISOU 1438 O ASN B 33 1275 674 780 209 131 11 O +ATOM 1439 CB ASN B 33 4.564 0.368 -15.865 1.00 9.06 C +ANISOU 1439 CB ASN B 33 1468 1064 911 407 -127 -279 C +ATOM 1440 CG ASN B 33 6.106 0.288 -15.894 1.00 9.39 C +ANISOU 1440 CG ASN B 33 1438 1139 992 306 -268 -320 C +ATOM 1441 OD1 ASN B 33 6.831 0.599 -14.937 1.00 11.87 O +ANISOU 1441 OD1 ASN B 33 1748 1594 1168 154 -309 -234 O +ATOM 1442 ND2 ASN B 33 6.605 -0.150 -17.038 1.00 9.59 N +ANISOU 1442 ND2 ASN B 33 1227 1408 1009 363 -288 -376 N +ATOM 1443 H ASN B 33 4.257 -0.925 -13.799 1.00 10.27 H +ATOM 1444 HA ASN B 33 4.523 1.630 -14.230 1.00 10.30 H +ATOM 1445 HB2 ASN B 33 4.222 -0.525 -16.028 1.00 10.87 H +ATOM 1446 HB3 ASN B 33 4.288 0.958 -16.583 1.00 10.87 H +ATOM 1447 HD21 ASN B 33 6.079 -0.360 -17.685 1.00 11.51 H +ATOM 1448 HD22 ASN B 33 7.457 -0.223 -17.135 1.00 11.51 H +ATOM 1449 N LEU B 34 1.589 0.518 -14.989 1.00 7.27 N +ANISOU 1449 N LEU B 34 1268 815 679 222 -86 18 N +ATOM 1450 CA LEU B 34 0.205 0.909 -15.220 1.00 6.79 C +ANISOU 1450 CA LEU B 34 1244 608 730 105 -105 -42 C +ATOM 1451 C LEU B 34 -0.309 1.837 -14.116 1.00 6.26 C +ANISOU 1451 C LEU B 34 1238 445 695 67 -27 -70 C +ATOM 1452 O LEU B 34 -0.921 2.876 -14.374 1.00 6.74 O +ANISOU 1452 O LEU B 34 1353 490 718 5 -41 -148 O +ATOM 1453 CB LEU B 34 -0.677 -0.329 -15.318 1.00 7.64 C +ANISOU 1453 CB LEU B 34 1344 728 829 78 -79 -75 C +ATOM 1454 CG LEU B 34 -2.176 -0.060 -15.409 1.00 8.43 C +ANISOU 1454 CG LEU B 34 1444 803 955 -86 -7 -61 C +ATOM 1455 CD1 LEU B 34 -2.551 0.809 -16.605 1.00 9.07 C +ANISOU 1455 CD1 LEU B 34 1408 997 1041 16 -92 89 C +ATOM 1456 CD2 LEU B 34 -2.934 -1.368 -15.419 1.00 10.92 C +ANISOU 1456 CD2 LEU B 34 1926 1113 1108 -485 -97 -68 C +ATOM 1457 H LEU B 34 1.714 -0.332 -14.963 1.00 8.72 H +ATOM 1458 HA LEU B 34 0.148 1.391 -16.072 1.00 8.15 H +ATOM 1459 HB2 LEU B 34 -0.422 -0.825 -16.111 1.00 9.17 H +ATOM 1460 HB3 LEU B 34 -0.527 -0.876 -14.531 1.00 9.17 H +ATOM 1461 HG LEU B 34 -2.446 0.420 -14.611 1.00 10.11 H +ATOM 1462 HD11 LEU B 34 -3.502 0.942 -16.609 1.00 10.88 H +ATOM 1463 HD12 LEU B 34 -2.102 1.654 -16.530 1.00 10.88 H +ATOM 1464 HD13 LEU B 34 -2.280 0.364 -17.412 1.00 10.88 H +ATOM 1465 HD21 LEU B 34 -3.875 -1.183 -15.476 1.00 13.10 H +ATOM 1466 HD22 LEU B 34 -2.655 -1.885 -16.178 1.00 13.10 H +ATOM 1467 HD23 LEU B 34 -2.743 -1.846 -14.609 1.00 13.10 H +ATOM 1468 N HIS B 35 -0.056 1.450 -12.874 1.00 7.15 N +ANISOU 1468 N HIS B 35 1468 603 645 116 25 -33 N +ATOM 1469 CA HIS B 35 -0.534 2.239 -11.756 1.00 7.95 C +ANISOU 1469 CA HIS B 35 1493 798 729 53 107 -92 C +ATOM 1470 C HIS B 35 0.144 3.599 -11.730 1.00 6.33 C +ANISOU 1470 C HIS B 35 1140 628 637 99 -124 -137 C +ATOM 1471 O HIS B 35 -0.487 4.594 -11.377 1.00 6.68 O +ANISOU 1471 O HIS B 35 1283 600 655 64 -122 -156 O +ATOM 1472 CB HIS B 35 -0.325 1.500 -10.440 1.00 10.21 C +ANISOU 1472 CB HIS B 35 2291 712 877 19 145 -4 C +ATOM 1473 CG HIS B 35 -1.060 0.203 -10.371 1.00 12.61 C +ANISOU 1473 CG HIS B 35 2941 784 1065 139 472 63 C +ATOM 1474 ND1 HIS B 35 -0.712 -0.804 -9.501 1.00 15.40 N +ANISOU 1474 ND1 HIS B 35 3563 1050 1240 67 560 171 N +ATOM 1475 CD2 HIS B 35 -2.094 -0.272 -11.105 1.00 13.80 C +ANISOU 1475 CD2 HIS B 35 3141 927 1175 -357 628 -78 C +ATOM 1476 CE1 HIS B 35 -1.514 -1.838 -9.684 1.00 15.68 C +ANISOU 1476 CE1 HIS B 35 3494 1183 1282 -173 711 23 C +ATOM 1477 NE2 HIS B 35 -2.361 -1.540 -10.652 1.00 15.18 N +ANISOU 1477 NE2 HIS B 35 3354 1132 1284 -232 712 -100 N +ATOM 1478 H HIS B 35 0.384 0.744 -12.656 1.00 8.58 H +ATOM 1479 HA HIS B 35 -1.497 2.387 -11.865 1.00 9.54 H +ATOM 1480 HB2 HIS B 35 0.621 1.314 -10.332 1.00 12.25 H +ATOM 1481 HB3 HIS B 35 -0.637 2.060 -9.712 1.00 12.25 H +ATOM 1482 HD1 HIS B 35 -0.077 -0.765 -8.923 1.00 18.48 H +ATOM 1483 HD2 HIS B 35 -2.544 0.179 -11.782 1.00 16.56 H +ATOM 1484 HE1 HIS B 35 -1.488 -2.638 -9.210 1.00 18.82 H +ATOM 1485 HE2 HIS B 35 -2.982 -2.056 -10.948 1.00 18.22 H +ATOM 1486 N GLN B 36 1.415 3.654 -12.090 1.00 6.64 N +ANISOU 1486 N GLN B 36 1299 549 674 92 -152 -77 N +ATOM 1487 CA GLN B 36 2.135 4.913 -12.149 1.00 6.48 C +ANISOU 1487 CA GLN B 36 975 781 706 104 -137 -119 C +ATOM 1488 C GLN B 36 1.581 5.832 -13.247 1.00 6.08 C +ANISOU 1488 C GLN B 36 917 707 685 23 -101 -120 C +ATOM 1489 O GLN B 36 1.409 7.034 -13.028 1.00 6.48 O +ANISOU 1489 O GLN B 36 1030 736 695 32 -44 -139 O +ATOM 1490 CB GLN B 36 3.619 4.654 -12.376 1.00 7.25 C +ANISOU 1490 CB GLN B 36 979 992 784 330 -120 -51 C +ATOM 1491 CG GLN B 36 4.455 5.913 -12.337 1.00 9.02 C +ANISOU 1491 CG GLN B 36 1127 1343 955 95 -78 -81 C +ATOM 1492 CD GLN B 36 4.505 6.554 -10.964 1.00 11.41 C +ANISOU 1492 CD GLN B 36 1414 1783 1140 -411 9 -403 C +ATOM 1493 OE1 GLN B 36 4.154 5.942 -9.958 1.00 13.66 O +ANISOU 1493 OE1 GLN B 36 1503 2525 1161 -338 27 -595 O +ATOM 1494 NE2 GLN B 36 5.002 7.780 -10.917 1.00 14.84 N +ANISOU 1494 NE2 GLN B 36 2095 2240 1303 -423 126 -578 N +ATOM 1495 H GLN B 36 1.888 2.970 -12.307 1.00 7.97 H +ATOM 1496 HA GLN B 36 2.036 5.376 -11.291 1.00 7.77 H +ATOM 1497 HB2 GLN B 36 3.944 4.058 -11.682 1.00 8.70 H +ATOM 1498 HB3 GLN B 36 3.738 4.243 -13.246 1.00 8.70 H +ATOM 1499 HG2 GLN B 36 5.364 5.696 -12.599 1.00 10.82 H +ATOM 1500 HG3 GLN B 36 4.078 6.559 -12.955 1.00 10.82 H +ATOM 1501 HE21 GLN B 36 5.272 8.163 -11.638 1.00 17.80 H +ATOM 1502 HE22 GLN B 36 5.056 8.193 -10.165 1.00 17.80 H +ATOM 1503 N LEU B 37 1.310 5.269 -14.423 1.00 6.47 N +ANISOU 1503 N LEU B 37 1081 720 659 -22 -70 -91 N +ATOM 1504 CA LEU B 37 0.777 6.069 -15.518 1.00 6.44 C +ANISOU 1504 CA LEU B 37 1068 705 675 141 -49 -75 C +ATOM 1505 C LEU B 37 -0.600 6.598 -15.141 1.00 5.97 C +ANISOU 1505 C LEU B 37 1117 445 705 -57 -217 -21 C +ATOM 1506 O LEU B 37 -0.905 7.752 -15.414 1.00 6.69 O +ANISOU 1506 O LEU B 37 1253 635 655 64 -117 53 O +ATOM 1507 CB LEU B 37 0.699 5.241 -16.796 1.00 7.01 C +ANISOU 1507 CB LEU B 37 1064 854 747 42 61 -83 C +ATOM 1508 CG LEU B 37 2.024 4.778 -17.389 1.00 8.94 C +ANISOU 1508 CG LEU B 37 1354 1059 983 58 150 -72 C +ATOM 1509 CD1 LEU B 37 1.731 3.868 -18.572 1.00 11.22 C +ANISOU 1509 CD1 LEU B 37 1931 1260 1072 -103 399 -335 C +ATOM 1510 CD2 LEU B 37 2.862 5.955 -17.793 1.00 9.95 C +ANISOU 1510 CD2 LEU B 37 1276 1328 1176 233 139 -48 C +ATOM 1511 H LEU B 37 1.424 4.437 -14.609 1.00 7.77 H +ATOM 1512 HA LEU B 37 1.368 6.833 -15.680 1.00 7.73 H +ATOM 1513 HB2 LEU B 37 0.175 4.446 -16.611 1.00 8.42 H +ATOM 1514 HB3 LEU B 37 0.251 5.770 -17.473 1.00 8.42 H +ATOM 1515 HG LEU B 37 2.513 4.268 -16.725 1.00 10.73 H +ATOM 1516 HD11 LEU B 37 2.562 3.572 -18.951 1.00 13.46 H +ATOM 1517 HD12 LEU B 37 1.223 3.113 -18.266 1.00 13.46 H +ATOM 1518 HD13 LEU B 37 1.228 4.359 -19.226 1.00 13.46 H +ATOM 1519 HD21 LEU B 37 3.689 5.637 -18.163 1.00 11.94 H +ATOM 1520 HD22 LEU B 37 2.385 6.468 -18.450 1.00 11.94 H +ATOM 1521 HD23 LEU B 37 3.036 6.495 -17.019 1.00 11.94 H +ATOM 1522 N MET B 38 -1.427 5.771 -14.511 1.00 6.41 N +ANISOU 1522 N MET B 38 1080 481 875 69 -249 -78 N +ATOM 1523 CA AMET B 38 -2.735 6.240 -14.066 0.58 9.47 C +ANISOU 1523 CA AMET B 38 1340 985 1272 163 -153 -78 C +ATOM 1524 CA BMET B 38 -2.730 6.200 -14.035 0.42 4.88 C +ANISOU 1524 CA BMET B 38 838 333 684 87 -153 -18 C +ATOM 1525 C MET B 38 -2.602 7.324 -13.003 1.00 6.35 C +ANISOU 1525 C MET B 38 1090 500 824 110 -113 -16 C +ATOM 1526 O MET B 38 -3.358 8.296 -13.013 1.00 7.04 O +ANISOU 1526 O MET B 38 1167 638 869 154 -102 -50 O +ATOM 1527 CB AMET B 38 -3.582 5.092 -13.532 0.58 16.73 C +ATOM 1528 CB BMET B 38 -3.438 4.998 -13.428 0.42 2.84 C +ATOM 1529 CG AMET B 38 -3.787 3.987 -14.539 0.58 11.04 C +ATOM 1530 CG BMET B 38 -4.849 5.258 -12.990 0.42 8.70 C +ATOM 1531 SD AMET B 38 -5.482 3.769 -15.043 0.58 28.19 S +ATOM 1532 SD BMET B 38 -4.884 5.947 -11.340 0.42 13.09 S +ATOM 1533 CE AMET B 38 -5.497 1.977 -15.106 0.58 36.66 C +ATOM 1534 CE BMET B 38 -4.226 4.557 -10.413 0.42 11.17 C +ATOM 1535 H AMET B 38 -1.260 4.947 -14.331 0.58 7.12 H +ATOM 1536 H BMET B 38 -1.252 4.946 -14.346 0.42 7.28 H +ATOM 1537 HA AMET B 38 -3.207 6.619 -14.837 0.58 11.36 H +ATOM 1538 HA BMET B 38 -3.262 6.519 -14.794 0.42 5.86 H +ATOM 1539 HB2AMET B 38 -3.142 4.711 -12.756 0.58 20.07 H +ATOM 1540 HB2BMET B 38 -3.462 4.288 -14.088 0.42 3.40 H +ATOM 1541 HB3AMET B 38 -4.455 5.434 -13.283 0.58 20.07 H +ATOM 1542 HB3BMET B 38 -2.938 4.705 -12.651 0.42 3.40 H +ATOM 1543 HG2AMET B 38 -3.266 4.188 -15.332 0.58 13.24 H +ATOM 1544 HG2BMET B 38 -5.263 5.893 -13.596 0.42 10.45 H +ATOM 1545 HG3AMET B 38 -3.484 3.152 -14.150 0.58 13.24 H +ATOM 1546 HG3BMET B 38 -5.343 4.424 -12.985 0.42 10.45 H +ATOM 1547 HE1AMET B 38 -6.370 1.682 -15.372 0.58 43.99 H +ATOM 1548 HE1BMET B 38 -4.187 4.792 -9.483 0.42 13.40 H +ATOM 1549 HE2AMET B 38 -4.842 1.682 -15.744 0.58 43.99 H +ATOM 1550 HE2BMET B 38 -4.802 3.799 -10.536 0.42 13.40 H +ATOM 1551 HE3AMET B 38 -5.285 1.633 -14.236 0.58 43.99 H +ATOM 1552 HE3BMET B 38 -3.345 4.355 -10.737 0.42 13.40 H +ATOM 1553 N HIS B 39 -1.662 7.161 -12.085 1.00 6.39 N +ANISOU 1553 N HIS B 39 1044 711 671 62 -80 6 N +ATOM 1554 CA HIS B 39 -1.439 8.162 -11.057 1.00 6.12 C +ANISOU 1554 CA HIS B 39 1014 648 663 -34 -8 -91 C +ATOM 1555 C HIS B 39 -1.140 9.524 -11.689 1.00 6.79 C +ANISOU 1555 C HIS B 39 1147 742 691 103 82 -156 C +ATOM 1556 O HIS B 39 -1.641 10.551 -11.233 1.00 7.70 O +ANISOU 1556 O HIS B 39 1400 663 863 186 206 -202 O +ATOM 1557 CB HIS B 39 -0.300 7.690 -10.148 1.00 6.91 C +ANISOU 1557 CB HIS B 39 1114 853 658 21 -47 -54 C +ATOM 1558 CG HIS B 39 0.174 8.721 -9.175 1.00 6.68 C +ANISOU 1558 CG HIS B 39 1058 914 566 19 89 -98 C +ATOM 1559 ND1 HIS B 39 -0.522 9.078 -8.043 1.00 7.60 N +ANISOU 1559 ND1 HIS B 39 1085 1194 610 55 -138 -174 N +ATOM 1560 CD2 HIS B 39 1.288 9.484 -9.192 1.00 7.90 C +ANISOU 1560 CD2 HIS B 39 1278 1100 624 -50 30 25 C +ATOM 1561 CE1 HIS B 39 0.148 10.013 -7.396 1.00 7.70 C +ANISOU 1561 CE1 HIS B 39 1288 980 655 -73 -98 -88 C +ATOM 1562 NE2 HIS B 39 1.251 10.273 -8.074 1.00 7.50 N +ANISOU 1562 NE2 HIS B 39 1241 899 709 -167 -118 -86 N +ATOM 1563 H HIS B 39 -1.140 6.479 -12.036 1.00 7.66 H +ATOM 1564 HA HIS B 39 -2.249 8.250 -10.513 1.00 7.35 H +ATOM 1565 HB2 HIS B 39 -0.605 6.923 -9.639 1.00 8.29 H +ATOM 1566 HB3 HIS B 39 0.456 7.437 -10.701 1.00 8.29 H +ATOM 1567 HD2 HIS B 39 1.958 9.470 -9.837 1.00 9.48 H +ATOM 1568 HE1 HIS B 39 -0.111 10.418 -6.600 1.00 9.24 H +ATOM 1569 HE2 HIS B 39 1.849 10.850 -7.852 1.00 9.00 H +ATOM 1570 N AGLU B 40 -0.312 9.553 -12.721 0.64 5.57 N +ANISOU 1570 N AGLU B 40 987 437 693 168 -26 -58 N +ATOM 1571 N BGLU B 40 -0.336 9.523 -12.749 0.36 6.64 N +ANISOU 1571 N BGLU B 40 1169 649 706 99 98 -103 N +ATOM 1572 CA AGLU B 40 -0.025 10.821 -13.364 0.64 7.25 C +ANISOU 1572 CA AGLU B 40 1336 585 835 181 112 97 C +ATOM 1573 CA BGLU B 40 0.013 10.753 -13.458 0.36 7.34 C +ANISOU 1573 CA BGLU B 40 1318 675 796 -8 162 -27 C +ATOM 1574 C AGLU B 40 -1.225 11.307 -14.197 0.64 7.63 C +ANISOU 1574 C AGLU B 40 1601 546 750 205 109 17 C +ATOM 1575 C BGLU B 40 -1.148 11.300 -14.282 0.36 7.18 C +ANISOU 1575 C BGLU B 40 1391 571 767 155 124 9 C +ATOM 1576 O AGLU B 40 -1.565 12.494 -14.153 0.64 9.46 O +ANISOU 1576 O AGLU B 40 2135 713 746 392 -31 -105 O +ATOM 1577 O BGLU B 40 -1.350 12.514 -14.359 0.36 8.07 O +ANISOU 1577 O BGLU B 40 1503 746 816 335 69 66 O +ATOM 1578 CB AGLU B 40 1.267 10.751 -14.183 0.64 8.91 C +ANISOU 1578 CB AGLU B 40 1614 714 1057 281 228 185 C +ATOM 1579 CB BGLU B 40 1.218 10.520 -14.372 0.36 8.43 C +ANISOU 1579 CB BGLU B 40 1413 865 926 -251 247 -14 C +ATOM 1580 CG AGLU B 40 2.518 10.391 -13.362 0.64 10.00 C +ANISOU 1580 CG AGLU B 40 1533 1044 1224 391 216 344 C +ATOM 1581 CG BGLU B 40 2.507 10.235 -13.629 0.36 10.34 C +ANISOU 1581 CG BGLU B 40 1499 1390 1040 -414 227 43 C +ATOM 1582 CD AGLU B 40 2.797 11.309 -12.171 0.64 11.93 C +ANISOU 1582 CD AGLU B 40 1924 1254 1354 63 -5 338 C +ATOM 1583 CD BGLU B 40 2.884 11.343 -12.664 0.36 12.07 C +ANISOU 1583 CD BGLU B 40 1730 1762 1094 -350 302 88 C +ATOM 1584 OE1AGLU B 40 2.272 12.434 -12.110 0.64 13.55 O +ANISOU 1584 OE1AGLU B 40 2393 1328 1427 38 -272 266 O +ATOM 1585 OE1BGLU B 40 2.319 11.390 -11.553 0.36 13.69 O +ANISOU 1585 OE1BGLU B 40 1977 2101 1123 -555 239 -23 O +ATOM 1586 OE2AGLU B 40 3.537 10.881 -11.260 0.64 13.07 O +ANISOU 1586 OE2AGLU B 40 1962 1644 1358 62 117 395 O +ATOM 1587 OE2BGLU B 40 3.737 12.176 -13.008 0.36 14.83 O +ANISOU 1587 OE2BGLU B 40 2464 2032 1137 -435 354 139 O +ATOM 1588 H AGLU B 40 0.087 8.871 -13.061 0.64 6.69 H +ATOM 1589 H BGLU B 40 0.023 8.816 -13.082 0.36 7.97 H +ATOM 1590 HA AGLU B 40 0.121 11.488 -12.661 0.64 8.70 H +ATOM 1591 HA BGLU B 40 0.263 11.436 -12.801 0.36 8.81 H +ATOM 1592 HB2AGLU B 40 1.163 10.075 -14.872 0.64 10.69 H +ATOM 1593 HB2BGLU B 40 1.032 9.760 -14.945 0.36 10.12 H +ATOM 1594 HB3AGLU B 40 1.423 11.615 -14.594 0.64 10.69 H +ATOM 1595 HB3BGLU B 40 1.357 11.313 -14.913 0.36 10.12 H +ATOM 1596 HG2AGLU B 40 2.413 9.490 -13.019 0.64 12.01 H +ATOM 1597 HG2BGLU B 40 2.404 9.416 -13.120 0.36 12.41 H +ATOM 1598 HG3AGLU B 40 3.291 10.428 -13.947 0.64 12.01 H +ATOM 1599 HG3BGLU B 40 3.227 10.139 -14.272 0.36 12.41 H +ATOM 1600 N TYR B 41 -1.908 10.404 -14.901 1.00 7.31 N +ANISOU 1600 N TYR B 41 1534 530 712 206 -45 20 N +ATOM 1601 CA TYR B 41 -3.011 10.795 -15.771 1.00 7.37 C +ANISOU 1601 CA TYR B 41 1472 596 734 388 -109 61 C +ATOM 1602 C TYR B 41 -4.155 11.427 -14.976 1.00 9.02 C +ANISOU 1602 C TYR B 41 1698 956 773 376 -268 110 C +ATOM 1603 O TYR B 41 -4.855 12.300 -15.466 1.00 10.24 O +ANISOU 1603 O TYR B 41 1960 1136 794 629 -193 58 O +ATOM 1604 CB TYR B 41 -3.513 9.567 -16.512 1.00 7.68 C +ANISOU 1604 CB TYR B 41 1337 823 756 187 -142 63 C +ATOM 1605 CG TYR B 41 -4.663 9.812 -17.462 1.00 8.61 C +ANISOU 1605 CG TYR B 41 1473 932 869 108 16 109 C +ATOM 1606 CD1 TYR B 41 -4.469 10.456 -18.679 1.00 9.31 C +ANISOU 1606 CD1 TYR B 41 1505 1108 925 185 42 145 C +ATOM 1607 CD2 TYR B 41 -5.938 9.377 -17.153 1.00 11.23 C +ANISOU 1607 CD2 TYR B 41 1610 1657 999 109 -94 265 C +ATOM 1608 CE1 TYR B 41 -5.531 10.680 -19.554 1.00 10.54 C +ANISOU 1608 CE1 TYR B 41 1556 1442 1007 301 -52 126 C +ATOM 1609 CE2 TYR B 41 -6.998 9.588 -18.019 1.00 12.48 C +ANISOU 1609 CE2 TYR B 41 1588 2053 1101 -4 -162 367 C +ATOM 1610 CZ TYR B 41 -6.783 10.239 -19.215 1.00 11.85 C +ANISOU 1610 CZ TYR B 41 1466 1935 1103 89 -196 217 C +ATOM 1611 OH TYR B 41 -7.836 10.442 -20.072 1.00 14.67 O +ANISOU 1611 OH TYR B 41 1749 2571 1256 251 -218 294 O +ATOM 1612 H ATYR B 41 -1.750 9.558 -14.892 0.50 8.77 H +ATOM 1613 H BTYR B 41 -1.803 9.553 -14.833 0.50 8.77 H +ATOM 1614 HA TYR B 41 -2.693 11.447 -16.429 1.00 8.85 H +ATOM 1615 HB2 TYR B 41 -2.779 9.201 -17.030 1.00 9.21 H +ATOM 1616 HB3 TYR B 41 -3.807 8.913 -15.859 1.00 9.21 H +ATOM 1617 HD1 TYR B 41 -3.619 10.757 -18.906 1.00 11.17 H +ATOM 1618 HD2 TYR B 41 -6.087 8.939 -16.346 1.00 13.48 H +ATOM 1619 HE1 TYR B 41 -5.389 11.114 -20.364 1.00 12.65 H +ATOM 1620 HE2 TYR B 41 -7.851 9.292 -17.794 1.00 14.97 H +ATOM 1621 HH TYR B 41 -8.414 10.893 -19.704 1.00 17.61 H +ATOM 1622 N PHE B 42 -4.364 10.968 -13.748 1.00 9.52 N +ANISOU 1622 N PHE B 42 1580 1135 902 518 14 -29 N +ATOM 1623 CA PHE B 42 -5.494 11.439 -12.967 1.00 12.88 C +ANISOU 1623 CA PHE B 42 2038 1633 1223 939 224 68 C +ATOM 1624 C PHE B 42 -5.134 12.580 -12.007 1.00 15.35 C +ANISOU 1624 C PHE B 42 2750 1693 1390 1203 53 -93 C +ATOM 1625 O PHE B 42 -5.965 12.973 -11.194 1.00 18.40 O +ANISOU 1625 O PHE B 42 3359 2236 1397 1281 392 -139 O +ATOM 1626 CB PHE B 42 -6.204 10.251 -12.282 1.00 14.48 C +ANISOU 1626 CB PHE B 42 1946 2135 1422 952 542 212 C +ATOM 1627 CG PHE B 42 -6.979 9.378 -13.258 1.00 16.93 C +ANISOU 1627 CG PHE B 42 2122 2543 1768 408 544 30 C +ATOM 1628 CD1 PHE B 42 -8.096 9.879 -13.906 1.00 18.30 C +ANISOU 1628 CD1 PHE B 42 2273 2849 1832 143 569 7 C +ATOM 1629 CD2 PHE B 42 -6.565 8.091 -13.567 1.00 19.74 C +ANISOU 1629 CD2 PHE B 42 2735 2838 1929 13 177 -7 C +ATOM 1630 CE1 PHE B 42 -8.807 9.105 -14.805 1.00 18.96 C +ANISOU 1630 CE1 PHE B 42 2341 2927 1934 -174 543 20 C +ATOM 1631 CE2 PHE B 42 -7.282 7.307 -14.480 1.00 19.94 C +ANISOU 1631 CE2 PHE B 42 2640 2920 2016 2 114 77 C +ATOM 1632 CZ PHE B 42 -8.398 7.825 -15.097 1.00 19.20 C +ANISOU 1632 CZ PHE B 42 2426 2859 2010 -206 386 119 C +ATOM 1633 H PHE B 42 -3.869 10.389 -13.349 1.00 11.42 H +ATOM 1634 HA PHE B 42 -6.143 11.813 -13.598 1.00 15.46 H +ATOM 1635 HB2 PHE B 42 -5.539 9.695 -11.847 1.00 17.38 H +ATOM 1636 HB3 PHE B 42 -6.829 10.594 -11.625 1.00 17.38 H +ATOM 1637 HD1 PHE B 42 -8.385 10.742 -13.716 1.00 21.96 H +ATOM 1638 HD2 PHE B 42 -5.813 7.738 -13.150 1.00 23.69 H +ATOM 1639 HE1 PHE B 42 -9.560 9.457 -15.222 1.00 22.75 H +ATOM 1640 HE2 PHE B 42 -7.002 6.441 -14.673 1.00 23.93 H +ATOM 1641 HZ PHE B 42 -8.878 7.308 -15.704 1.00 23.04 H +ATOM 1642 N GLN B 43 -3.930 13.144 -12.140 1.00 15.16 N +ANISOU 1642 N GLN B 43 2774 1422 1566 993 -338 -362 N +ATOM 1643 CA GLN B 43 -3.581 14.408 -11.468 1.00 17.89 C +ANISOU 1643 CA GLN B 43 3364 1556 1875 1007 -431 -500 C +ATOM 1644 C GLN B 43 -4.430 15.558 -12.018 1.00 19.97 C +ANISOU 1644 C GLN B 43 3690 1738 2160 1194 -357 -464 C +ATOM 1645 O GLN B 43 -5.051 15.452 -13.085 1.00 21.79 O +ANISOU 1645 O GLN B 43 4105 1852 2322 1344 -552 -291 O +ATOM 1646 CB GLN B 43 -2.112 14.799 -11.702 1.00 17.65 C +ANISOU 1646 CB GLN B 43 3477 1354 1874 895 -634 -334 C +ATOM 1647 CG GLN B 43 -1.055 13.809 -11.276 1.00 18.07 C +ANISOU 1647 CG GLN B 43 3601 1368 1896 757 -508 -216 C +ATOM 1648 CD GLN B 43 -0.942 13.687 -9.788 1.00 16.48 C +ANISOU 1648 CD GLN B 43 3341 1015 1907 432 -419 -292 C +ATOM 1649 OE1 GLN B 43 -1.249 12.625 -9.228 1.00 19.44 O +ANISOU 1649 OE1 GLN B 43 3809 1591 1985 356 -403 -293 O +ATOM 1650 NE2 GLN B 43 -0.487 14.759 -9.125 1.00 18.61 N +ANISOU 1650 NE2 GLN B 43 3897 1235 1940 312 -638 -417 N +ATOM 1651 H GLN B 43 -3.293 12.816 -12.616 1.00 18.20 H +ATOM 1652 HA GLN B 43 -3.740 14.328 -10.504 1.00 21.46 H +ATOM 1653 HB2 GLN B 43 -1.990 14.954 -12.652 1.00 21.18 H +ATOM 1654 HB3 GLN B 43 -1.940 15.624 -11.220 1.00 21.18 H +ATOM 1655 HG2 GLN B 43 -1.278 12.935 -11.632 1.00 21.68 H +ATOM 1656 HG3 GLN B 43 -0.195 14.098 -11.619 1.00 21.68 H +ATOM 1657 HE21 GLN B 43 -0.276 15.473 -9.556 1.00 22.33 H +ATOM 1658 HE22 GLN B 43 -0.406 14.733 -8.270 1.00 22.33 H +ATOM 1659 N GLN B 44 -4.414 16.680 -11.308 1.00 21.40 N +ANISOU 1659 N GLN B 44 4058 1754 2320 1254 -247 -319 N +ATOM 1660 CA GLN B 44 -5.145 17.867 -11.736 1.00 21.12 C +ANISOU 1660 CA GLN B 44 3838 1767 2420 1303 -281 -195 C +ATOM 1661 C GLN B 44 -4.287 18.754 -12.635 1.00 21.94 C +ANISOU 1661 C GLN B 44 3509 2435 2391 1272 -485 -119 C +ATOM 1662 O GLN B 44 -3.111 18.981 -12.352 1.00 23.21 O +ANISOU 1662 O GLN B 44 3286 3116 2418 1303 -622 -40 O +ATOM 1663 CB GLN B 44 -5.602 18.672 -10.517 1.00 24.57 C +ANISOU 1663 CB GLN B 44 4657 2139 2538 844 -191 -182 C +ATOM 1664 CG GLN B 44 -6.596 17.949 -9.621 1.00 27.57 C +ANISOU 1664 CG GLN B 44 5316 2531 2629 407 -60 -141 C +ATOM 1665 CD GLN B 44 -7.953 17.760 -10.283 1.00 31.01 C +ANISOU 1665 CD GLN B 44 6007 3070 2707 25 76 -12 C +ATOM 1666 OE1 GLN B 44 -8.199 18.256 -11.382 1.00 32.47 O +ANISOU 1666 OE1 GLN B 44 6193 3389 2756 -147 76 -4 O +ATOM 1667 NE2 GLN B 44 -8.842 17.038 -9.611 1.00 32.73 N +ANISOU 1667 NE2 GLN B 44 6403 3295 2736 -106 190 64 N +ATOM 1668 H GLN B 44 -3.985 16.781 -10.569 1.00 25.68 H +ATOM 1669 HA GLN B 44 -5.940 17.594 -12.241 1.00 25.35 H +ATOM 1670 HB2 GLN B 44 -4.824 18.888 -9.979 1.00 29.48 H +ATOM 1671 HB3 GLN B 44 -6.023 19.489 -10.825 1.00 29.48 H +ATOM 1672 HG2 GLN B 44 -6.245 17.072 -9.401 1.00 33.09 H +ATOM 1673 HG3 GLN B 44 -6.727 18.466 -8.811 1.00 33.09 H +ATOM 1674 HE21 GLN B 44 -8.636 16.707 -8.844 1.00 39.27 H +ATOM 1675 HE22 GLN B 44 -9.624 16.902 -9.942 1.00 39.27 H +ATOM 1676 N SER B 45 -4.877 19.262 -13.714 1.00 21.02 N +ANISOU 1676 N SER B 45 3374 2285 2328 1340 -480 -154 N +ATOM 1677 CA SER B 45 -4.203 20.252 -14.543 1.00 20.91 C +ANISOU 1677 CA SER B 45 3317 2376 2253 1276 -426 -197 C +ATOM 1678 C SER B 45 -4.242 21.616 -13.888 1.00 19.80 C +ANISOU 1678 C SER B 45 2990 2331 2203 729 -341 -147 C +ATOM 1679 O SER B 45 -3.267 22.364 -13.941 1.00 21.38 O +ANISOU 1679 O SER B 45 3056 2864 2203 289 -178 36 O +ATOM 1680 CB SER B 45 -4.859 20.347 -15.919 1.00 22.29 C +ANISOU 1680 CB SER B 45 3617 2582 2271 1578 -379 -293 C +ATOM 1681 OG SER B 45 -4.467 19.264 -16.732 1.00 24.43 O +ANISOU 1681 OG SER B 45 3953 3022 2309 1656 -262 -327 O +ATOM 1682 H SER B 45 -5.665 19.050 -13.985 1.00 25.22 H +ATOM 1683 HA SER B 45 -3.265 19.992 -14.664 1.00 25.10 H +ATOM 1684 HB2 SER B 45 -5.823 20.329 -15.811 1.00 26.75 H +ATOM 1685 HB3 SER B 45 -4.587 21.175 -16.343 1.00 26.75 H +ATOM 1686 HG SER B 45 -4.824 19.322 -17.468 1.00 29.32 H +ATOM 1687 N ASP B 46 -5.377 21.938 -13.273 1.00 18.80 N +ANISOU 1687 N ASP B 46 2912 2029 2202 1025 -187 -223 N +ATOM 1688 CA ASP B 46 -5.615 23.281 -12.762 1.00 19.73 C +ANISOU 1688 CA ASP B 46 3355 2005 2135 635 27 -271 C +ATOM 1689 C ASP B 46 -5.397 23.363 -11.262 1.00 22.13 C +ANISOU 1689 C ASP B 46 4124 2113 2172 451 47 -99 C +ATOM 1690 O ASP B 46 -5.478 22.353 -10.551 1.00 23.87 O +ANISOU 1690 O ASP B 46 4410 2474 2187 322 65 69 O +ATOM 1691 CB ASP B 46 -7.041 23.727 -13.095 1.00 19.14 C +ANISOU 1691 CB ASP B 46 3240 1969 2065 836 87 -370 C +ATOM 1692 CG ASP B 46 -7.348 23.618 -14.572 1.00 19.25 C +ANISOU 1692 CG ASP B 46 3348 1890 2076 803 356 -532 C +ATOM 1693 OD1 ASP B 46 -6.940 24.526 -15.289 1.00 17.50 O +ANISOU 1693 OD1 ASP B 46 2919 1718 2013 700 514 -522 O +ATOM 1694 OD2 ASP B 46 -7.961 22.621 -15.017 1.00 21.65 O +ANISOU 1694 OD2 ASP B 46 3761 2307 2156 494 369 -375 O +ATOM 1695 OXT ASP B 46 -5.145 24.458 -10.740 1.00 23.65 O +ANISOU 1695 OXT ASP B 46 4505 2273 2209 441 45 -118 O +ATOM 1696 H ASP B 46 -6.028 21.392 -13.140 1.00 22.56 H +ATOM 1697 HA ASP B 46 -4.992 23.902 -13.194 1.00 23.67 H +ATOM 1698 HB2 ASP B 46 -7.669 23.167 -12.614 1.00 22.97 H +ATOM 1699 HB3 ASP B 46 -7.152 24.655 -12.833 1.00 22.97 H +TER 1700 ASP B 46 +HETATM 1729 ZN ZN B 101 -7.590 -5.732 -17.154 1.00 8.45 ZN +ANISOU 1729 ZN ZN B 101 1264 764 1182 43 360 -41 ZN +HETATM 1790 O AHOH B 201 -4.424 -0.865 -26.608 0.55 11.21 O +HETATM 1791 O BHOH B 201 -3.781 -1.605 -26.780 0.45 11.12 O +HETATM 1792 O HOH B 202 -3.887 -3.671 -27.594 1.00 22.57 O +HETATM 1793 O HOH B 203 5.970 9.645 -12.887 0.89 13.42 O +HETATM 1794 O HOH B 204 5.293 -1.563 -21.567 0.73 20.68 O +HETATM 1795 O HOH B 205 -5.093 -12.900 -20.652 0.67 14.96 O +HETATM 1796 O HOH B 206 -1.848 19.617 -10.246 0.99 26.04 O +HETATM 1797 O HOH B 207 -6.998 9.070 -26.366 1.00 27.74 O +HETATM 1798 O HOH B 208 8.045 -12.786 -17.019 1.00 23.60 O +HETATM 1799 O AHOH B 209 -4.553 -3.011 -12.031 0.53 13.10 O +HETATM 1800 O BHOH B 209 -3.722 -3.488 -11.843 0.47 15.95 O +HETATM 1801 O HOH B 210 -7.097 4.707 -29.595 0.92 25.86 O +HETATM 1802 O HOH B 211 5.267 8.349 -21.734 0.65 16.78 O +HETATM 1803 O HOH B 212 -5.036 -15.608 -20.255 0.77 14.33 O +HETATM 1804 O AHOH B 213 -6.505 6.643 -25.885 0.35 8.11 O +HETATM 1805 O BHOH B 213 -6.850 6.221 -26.710 0.65 19.49 O +HETATM 1806 O HOH B 214 -5.139 -7.634 -24.482 0.87 29.01 O +HETATM 1807 O HOH B 215 3.082 2.338 -9.399 0.66 11.33 O +HETATM 1808 O HOH B 216 -3.548 16.305 -8.410 1.00 29.60 O +HETATM 1809 O HOH B 217 5.750 2.068 -9.812 1.00 15.01 O +HETATM 1810 O HOH B 218 2.978 -1.221 -23.093 0.97 15.94 O +HETATM 1811 O HOH B 219 5.870 -17.092 -12.782 1.00 25.93 O +HETATM 1812 O HOH B 220 0.042 -16.204 -16.322 1.00 17.45 O +HETATM 1813 O HOH B 221 -2.588 24.981 -9.326 0.89 24.79 O +HETATM 1814 O HOH B 222 -7.871 12.714 -15.932 1.00 34.26 O +HETATM 1815 O AHOH B 223 2.666 1.204 -26.138 0.71 17.85 O +HETATM 1816 O BHOH B 223 2.441 2.516 -25.478 0.29 8.24 O +HETATM 1817 O HOH B 224 2.388 8.572 -23.628 1.00 24.92 O +HETATM 1818 O HOH B 225 -3.400 21.380 -8.821 1.00 38.54 O +HETATM 1819 O HOH B 226 5.978 0.326 -19.712 0.65 12.62 O +HETATM 1820 O HOH B 227 -10.190 7.818 -26.293 1.00 27.49 O +HETATM 1821 O HOH B 228 -2.742 12.656 -6.754 0.83 16.51 O +HETATM 1822 O HOH B 229 6.993 9.203 -23.994 1.00 35.51 O +HETATM 1823 O HOH B 230 -5.401 12.902 -6.163 1.00 24.84 O +HETATM 1824 O HOH B 231 -7.870 20.333 -13.331 1.00 30.51 O +HETATM 1825 O HOH B 232 -4.457 17.152 -31.647 0.69 14.27 O +HETATM 1826 O HOH B 233 -3.135 -4.517 -14.139 0.32 8.88 O +HETATM 1827 O AHOH B 234 8.709 -8.312 -11.480 0.39 16.81 O +HETATM 1828 O BHOH B 234 7.741 -8.830 -10.845 0.61 21.20 O +HETATM 1829 O HOH B 235 6.896 -15.325 -14.228 1.00 31.69 O +HETATM 1830 O HOH B 236 -10.238 21.601 -14.504 0.94 39.92 O +HETATM 1831 O HOH B 237 8.629 -8.339 -23.455 0.74 34.29 O +HETATM 1832 O AHOH B 238 -5.407 15.309 -24.541 0.34 17.96 O +HETATM 1833 O BHOH B 238 -4.785 15.975 -25.364 0.66 30.00 O +HETATM 1834 O HOH B 239 -10.538 3.922 -26.800 1.00 34.42 O +HETATM 1835 O HOH B 240 2.546 -5.489 -9.156 0.87 20.95 O +HETATM 1836 O HOH B 241 2.594 0.534 -7.383 0.58 15.31 O +HETATM 1837 O HOH B 242 2.377 1.462 -22.933 0.76 10.41 O