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i_vorobyev commited on
Commit
b0cb70d
·
1 Parent(s): 580db5b

struct prediction function

Browse files
Files changed (4) hide show
  1. app.py +20 -1
  2. igfold_test.py +14 -0
  3. my_nanobody1.fasta +2 -0
  4. my_nanobody1.pdb +612 -0
app.py CHANGED
@@ -1,7 +1,26 @@
1
  import gradio as gr
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
2
 
3
  def greet(name):
4
  return "Hello " + name + "!!"
5
 
6
- iface = gr.Interface(fn=greet, inputs="text", outputs="text")
7
  iface.launch()
 
1
  import gradio as gr
2
+ from igfold import IgFoldRunner
3
+
4
+ def pred_seq(seq):
5
+
6
+ sequences = {
7
+ "H": "QVQLQESGGGLVQAGGSLTLSCAVSGLTFSNYAMGWFRQAPGKEREFVAAITWDGGNTYYTDSVKGRFTISRDNAKNTVFLQMNSLKPEDTAVYYCAAKLLGSSRYELALAGYDYWGQGTQVTVS"
8
+ }
9
+ pred_pdb = "my_nanobody1.pdb"
10
+
11
+ igfold = IgFoldRunner()
12
+ igfold.fold(
13
+ pred_pdb,
14
+ sequences=sequences,
15
+ do_refine=False,
16
+ do_renum=False,
17
+ )
18
+
19
+ html = f"<p> great {seq}</p>."
20
+ return (html)
21
 
22
  def greet(name):
23
  return "Hello " + name + "!!"
24
 
25
+ iface = gr.Interface(fn=pred_seq, inputs="text", outputs=["html"])
26
  iface.launch()
igfold_test.py ADDED
@@ -0,0 +1,14 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ from igfold import IgFoldRunner
2
+
3
+ sequences = {
4
+ "H": "QVQLQESGGGLVQAGGSLTLSCAVSGLTFSNYAMGWFRQAPGKEREFVAAITWDGGNTYYTDSVKGRFTISRDNAKNTVFLQMNSLKPEDTAVYYCAAKLLGSSRYELALAGYDYWGQGTQVTVS"
5
+ }
6
+ pred_pdb = "my_nanobody1.pdb"
7
+
8
+ igfold = IgFoldRunner()
9
+ igfold.fold(
10
+ pred_pdb,
11
+ sequences=sequences,
12
+ do_refine=False,
13
+ do_renum=False,
14
+ )
my_nanobody1.fasta ADDED
@@ -0,0 +1,2 @@
 
 
 
1
+ >H
2
+ QVQLQESGGGLVQAGGSLTLSCAVSGLTFSNYAMGWFRQAPGKEREFVAAITWDGGNTYYTDSVKGRFTISRDNAKNTVFLQMNSLKPEDTAVYYCAAKLLGSSRYELALAGYDYWGQGTQVTVS
my_nanobody1.pdb ADDED
@@ -0,0 +1,612 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N GLN H 1 -17.061 -4.003 -9.876 1.00 1.31 N
2
+ ATOM 2 CA GLN H 1 -15.807 -3.653 -9.223 1.00 1.31 C
3
+ ATOM 3 C GLN H 1 -15.980 -3.415 -7.734 1.00 1.31 C
4
+ ATOM 4 CB GLN H 1 -15.137 -2.511 -9.953 1.00 1.31 C
5
+ ATOM 5 O GLN H 1 -17.044 -2.993 -7.283 1.00 1.31 O
6
+ ATOM 6 N VAL H 2 -14.926 -3.687 -6.970 1.00 0.43 N
7
+ ATOM 7 CA VAL H 2 -14.912 -3.537 -5.521 1.00 0.43 C
8
+ ATOM 8 C VAL H 2 -14.848 -2.121 -4.963 1.00 0.43 C
9
+ ATOM 9 CB VAL H 2 -13.660 -4.266 -5.065 1.00 0.43 C
10
+ ATOM 10 O VAL H 2 -14.287 -1.222 -5.589 1.00 0.43 O
11
+ ATOM 11 N GLN H 3 -15.423 -1.907 -3.777 1.00 0.26 N
12
+ ATOM 12 CA GLN H 3 -15.419 -0.608 -3.128 1.00 0.26 C
13
+ ATOM 13 C GLN H 3 -14.904 -0.794 -1.706 1.00 0.26 C
14
+ ATOM 14 CB GLN H 3 -16.778 0.080 -3.112 1.00 0.26 C
15
+ ATOM 15 O GLN H 3 -15.491 -1.532 -0.915 1.00 0.26 O
16
+ ATOM 16 N LEU H 4 -13.786 -0.109 -1.378 1.00 0.20 N
17
+ ATOM 17 CA LEU H 4 -13.197 -0.206 -0.045 1.00 0.20 C
18
+ ATOM 18 C LEU H 4 -13.464 1.042 0.768 1.00 0.20 C
19
+ ATOM 19 CB LEU H 4 -11.701 -0.439 -0.141 1.00 0.20 C
20
+ ATOM 20 O LEU H 4 -13.133 2.150 0.346 1.00 0.20 O
21
+ ATOM 21 N GLN H 5 -14.065 0.893 1.947 1.00 0.20 N
22
+ ATOM 22 CA GLN H 5 -14.367 2.023 2.819 1.00 0.20 C
23
+ ATOM 23 C GLN H 5 -13.599 1.877 4.126 1.00 0.20 C
24
+ ATOM 24 CB GLN H 5 -15.862 2.149 3.084 1.00 0.20 C
25
+ ATOM 25 O GLN H 5 -13.830 0.940 4.890 1.00 0.20 O
26
+ ATOM 26 N GLU H 6 -12.676 2.814 4.386 1.00 0.20 N
27
+ ATOM 27 CA GLU H 6 -11.872 2.791 5.609 1.00 0.20 C
28
+ ATOM 28 C GLU H 6 -12.506 3.639 6.719 1.00 0.20 C
29
+ ATOM 29 CB GLU H 6 -10.480 3.314 5.337 1.00 0.20 C
30
+ ATOM 30 O GLU H 6 -13.149 4.653 6.447 1.00 0.20 O
31
+ ATOM 31 N SER H 7 -12.316 3.213 7.957 1.00 0.19 N
32
+ ATOM 32 CA SER H 7 -12.850 3.935 9.098 1.00 0.19 C
33
+ ATOM 33 C SER H 7 -12.008 3.647 10.348 1.00 0.19 C
34
+ ATOM 34 CB SER H 7 -14.286 3.555 9.444 1.00 0.19 C
35
+ ATOM 35 O SER H 7 -11.271 2.663 10.398 1.00 0.19 O
36
+ ATOM 36 N GLY H 8 -12.155 4.559 11.360 1.00 0.25 N
37
+ ATOM 37 CA GLY H 8 -11.431 4.388 12.618 1.00 0.25 C
38
+ ATOM 38 C GLY H 8 -10.251 5.336 12.851 1.00 0.25 C
39
+ ATOM 39 O GLY H 8 -9.694 5.393 13.948 1.00 0.25 O
40
+ ATOM 40 N GLY H 9 -9.863 6.088 11.818 1.00 0.26 N
41
+ ATOM 41 CA GLY H 9 -8.756 7.019 11.946 1.00 0.26 C
42
+ ATOM 42 C GLY H 9 -9.115 8.104 12.941 1.00 0.26 C
43
+ ATOM 43 O GLY H 9 -10.242 8.159 13.434 1.00 0.26 O
44
+ ATOM 44 N GLY H 10 -8.158 8.984 13.248 1.00 0.26 N
45
+ ATOM 45 CA GLY H 10 -8.389 10.080 14.187 1.00 0.26 C
46
+ ATOM 46 C GLY H 10 -7.107 10.532 14.909 1.00 0.26 C
47
+ ATOM 47 O GLY H 10 -6.012 10.060 14.604 1.00 0.26 O
48
+ ATOM 48 N LEU H 11 -7.293 11.442 15.853 1.00 0.24 N
49
+ ATOM 49 CA LEU H 11 -6.163 11.973 16.629 1.00 0.24 C
50
+ ATOM 50 C LEU H 11 -5.917 11.136 17.874 1.00 0.24 C
51
+ ATOM 51 CB LEU H 11 -6.435 13.402 17.011 1.00 0.24 C
52
+ ATOM 52 O LEU H 11 -6.839 10.867 18.644 1.00 0.24 O
53
+ ATOM 53 N VAL H 12 -4.645 10.713 18.081 1.00 0.31 N
54
+ ATOM 54 CA VAL H 12 -4.287 9.909 19.236 1.00 0.31 C
55
+ ATOM 55 C VAL H 12 -2.971 10.384 19.846 1.00 0.31 C
56
+ ATOM 56 CB VAL H 12 -4.133 8.446 18.857 1.00 0.31 C
57
+ ATOM 57 O VAL H 12 -2.108 10.915 19.147 1.00 0.31 O
58
+ ATOM 58 N GLN H 13 -2.808 10.197 21.150 1.00 0.35 N
59
+ ATOM 59 CA GLN H 13 -1.584 10.589 21.829 1.00 0.35 C
60
+ ATOM 60 C GLN H 13 -0.543 9.482 21.649 1.00 0.35 C
61
+ ATOM 61 CB GLN H 13 -1.814 10.804 23.323 1.00 0.35 C
62
+ ATOM 62 O GLN H 13 -0.887 8.305 21.536 1.00 0.35 O
63
+ ATOM 63 N ALA H 14 0.755 9.882 21.623 1.00 0.36 N
64
+ ATOM 64 CA ALA H 14 1.840 8.916 21.472 1.00 0.36 C
65
+ ATOM 65 C ALA H 14 1.712 7.807 22.514 1.00 0.36 C
66
+ ATOM 66 CB ALA H 14 3.163 9.632 21.620 1.00 0.36 C
67
+ ATOM 67 O ALA H 14 1.443 8.071 23.686 1.00 0.36 O
68
+ ATOM 68 N GLY H 15 1.895 6.575 22.133 1.00 0.33 N
69
+ ATOM 69 CA GLY H 15 1.797 5.441 23.035 1.00 0.33 C
70
+ ATOM 70 C GLY H 15 0.386 4.866 23.023 1.00 0.33 C
71
+ ATOM 71 O GLY H 15 0.153 3.757 23.503 1.00 0.33 O
72
+ ATOM 72 N GLY H 16 -0.573 5.617 22.470 1.00 0.33 N
73
+ ATOM 73 CA GLY H 16 -1.961 5.169 22.422 1.00 0.33 C
74
+ ATOM 74 C GLY H 16 -2.211 4.102 21.378 1.00 0.33 C
75
+ ATOM 75 O GLY H 16 -1.295 3.688 20.668 1.00 0.33 O
76
+ ATOM 76 N SER H 17 -3.450 3.641 21.265 1.00 0.32 N
77
+ ATOM 77 CA SER H 17 -3.827 2.617 20.306 1.00 0.32 C
78
+ ATOM 78 C SER H 17 -5.052 3.009 19.480 1.00 0.32 C
79
+ ATOM 79 CB SER H 17 -4.125 1.320 21.029 1.00 0.32 C
80
+ ATOM 80 O SER H 17 -5.956 3.682 19.974 1.00 0.32 O
81
+ ATOM 81 N LEU H 18 -5.066 2.573 18.208 1.00 0.22 N
82
+ ATOM 82 CA LEU H 18 -6.182 2.865 17.315 1.00 0.22 C
83
+ ATOM 83 C LEU H 18 -6.472 1.639 16.462 1.00 0.22 C
84
+ ATOM 84 CB LEU H 18 -5.918 4.048 16.395 1.00 0.22 C
85
+ ATOM 85 O LEU H 18 -5.560 0.902 16.087 1.00 0.22 O
86
+ ATOM 86 N THR H 19 -7.739 1.421 16.158 1.00 0.20 N
87
+ ATOM 87 CA THR H 19 -8.142 0.269 15.329 1.00 0.20 C
88
+ ATOM 88 C THR H 19 -8.770 0.736 14.031 1.00 0.20 C
89
+ ATOM 89 CB THR H 19 -9.131 -0.641 16.044 1.00 0.20 C
90
+ ATOM 90 O THR H 19 -9.799 1.412 14.037 1.00 0.20 O
91
+ ATOM 91 N LEU H 20 -8.174 0.391 12.895 1.00 0.16 N
92
+ ATOM 92 CA LEU H 20 -8.695 0.780 11.592 1.00 0.16 C
93
+ ATOM 93 C LEU H 20 -9.469 -0.393 10.983 1.00 0.16 C
94
+ ATOM 94 CB LEU H 20 -7.584 1.202 10.646 1.00 0.16 C
95
+ ATOM 95 O LEU H 20 -9.073 -1.550 11.124 1.00 0.16 O
96
+ ATOM 96 N SER H 21 -10.577 -0.079 10.304 1.00 0.17 N
97
+ ATOM 97 CA SER H 21 -11.400 -1.099 9.667 1.00 0.17 C
98
+ ATOM 98 C SER H 21 -11.690 -0.748 8.206 1.00 0.17 C
99
+ ATOM 99 CB SER H 21 -12.734 -1.274 10.381 1.00 0.17 C
100
+ ATOM 100 O SER H 21 -12.001 0.398 7.883 1.00 0.17 O
101
+ ATOM 101 N CYS H 22 -11.584 -1.748 7.324 1.00 0.18 N
102
+ ATOM 102 CA CYS H 22 -11.841 -1.552 5.909 1.00 0.18 C
103
+ ATOM 103 C CYS H 22 -12.952 -2.502 5.494 1.00 0.18 C
104
+ ATOM 104 CB CYS H 22 -10.586 -1.778 5.048 1.00 0.18 C
105
+ ATOM 105 O CYS H 22 -12.781 -3.721 5.518 1.00 0.18 O
106
+ ATOM 106 N ALA H 23 -14.114 -1.944 5.104 1.00 0.22 N
107
+ ATOM 107 CA ALA H 23 -15.247 -2.746 4.683 1.00 0.22 C
108
+ ATOM 108 C ALA H 23 -15.268 -2.856 3.173 1.00 0.22 C
109
+ ATOM 109 CB ALA H 23 -16.554 -2.165 5.197 1.00 0.22 C
110
+ ATOM 110 O ALA H 23 -15.297 -1.847 2.468 1.00 0.22 O
111
+ ATOM 111 N VAL H 24 -15.253 -4.120 2.653 1.00 0.30 N
112
+ ATOM 112 CA VAL H 24 -15.281 -4.360 1.221 1.00 0.30 C
113
+ ATOM 113 C VAL H 24 -16.700 -4.669 0.725 1.00 0.30 C
114
+ ATOM 114 CB VAL H 24 -14.385 -5.521 0.859 1.00 0.30 C
115
+ ATOM 115 O VAL H 24 -17.418 -5.468 1.326 1.00 0.30 O
116
+ ATOM 116 N SER H 25 -17.080 -4.037 -0.358 1.00 0.37 N
117
+ ATOM 117 CA SER H 25 -18.401 -4.263 -0.948 1.00 0.37 C
118
+ ATOM 118 C SER H 25 -18.298 -4.597 -2.439 1.00 0.37 C
119
+ ATOM 119 CB SER H 25 -19.279 -3.032 -0.971 1.00 0.37 C
120
+ ATOM 120 O SER H 25 -17.443 -4.064 -3.146 1.00 0.37 O
121
+ ATOM 121 N GLY H 26 -19.163 -5.477 -2.933 1.00 0.54 N
122
+ ATOM 122 CA GLY H 26 -19.177 -5.803 -4.345 1.00 0.54 C
123
+ ATOM 123 C GLY H 26 -18.274 -6.855 -4.978 1.00 0.54 C
124
+ ATOM 124 O GLY H 26 -17.972 -6.791 -6.170 1.00 0.54 O
125
+ ATOM 125 N LEU H 27 -17.839 -7.833 -4.180 1.00 0.74 N
126
+ ATOM 126 CA LEU H 27 -16.977 -8.876 -4.738 1.00 0.74 C
127
+ ATOM 127 C LEU H 27 -16.593 -10.039 -3.828 1.00 0.74 C
128
+ ATOM 128 CB LEU H 27 -15.637 -8.278 -5.182 1.00 0.74 C
129
+ ATOM 129 O LEU H 27 -16.513 -9.885 -2.609 1.00 0.74 O
130
+ ATOM 130 N THR H 28 -16.365 -11.182 -4.465 1.00 0.69 N
131
+ ATOM 131 CA THR H 28 -15.958 -12.380 -3.721 1.00 0.69 C
132
+ ATOM 132 C THR H 28 -14.687 -12.011 -2.925 1.00 0.69 C
133
+ ATOM 133 CB THR H 28 -15.691 -13.534 -4.644 1.00 0.69 C
134
+ ATOM 134 O THR H 28 -13.584 -11.996 -3.472 1.00 0.69 O
135
+ ATOM 135 N PHE H 29 -14.884 -11.728 -1.666 1.00 0.64 N
136
+ ATOM 136 CA PHE H 29 -13.770 -11.378 -0.776 1.00 0.64 C
137
+ ATOM 137 C PHE H 29 -12.740 -12.472 -0.593 1.00 0.64 C
138
+ ATOM 138 CB PHE H 29 -14.324 -11.279 0.653 1.00 0.64 C
139
+ ATOM 139 O PHE H 29 -11.542 -12.203 -0.512 1.00 0.64 O
140
+ ATOM 140 N SER H 30 -13.217 -13.729 -0.527 1.00 0.69 N
141
+ ATOM 141 CA SER H 30 -12.361 -14.875 -0.300 1.00 0.69 C
142
+ ATOM 142 C SER H 30 -11.069 -15.124 -1.081 1.00 0.69 C
143
+ ATOM 143 CB SER H 30 -13.127 -16.169 -0.511 1.00 0.69 C
144
+ ATOM 144 O SER H 30 -10.114 -15.694 -0.553 1.00 0.69 O
145
+ ATOM 145 N ASN H 31 -11.046 -14.694 -2.332 1.00 0.61 N
146
+ ATOM 146 CA ASN H 31 -9.880 -14.915 -3.184 1.00 0.61 C
147
+ ATOM 147 C ASN H 31 -8.796 -13.830 -3.315 1.00 0.61 C
148
+ ATOM 148 CB ASN H 31 -10.471 -15.150 -4.546 1.00 0.61 C
149
+ ATOM 149 O ASN H 31 -7.800 -14.017 -4.014 1.00 0.61 O
150
+ ATOM 150 N TYR H 32 -9.004 -12.704 -2.638 1.00 0.60 N
151
+ ATOM 151 CA TYR H 32 -8.033 -11.619 -2.712 1.00 0.60 C
152
+ ATOM 152 C TYR H 32 -7.280 -11.268 -1.426 1.00 0.60 C
153
+ ATOM 153 CB TYR H 32 -8.750 -10.323 -3.121 1.00 0.60 C
154
+ ATOM 154 O TYR H 32 -7.821 -11.389 -0.326 1.00 0.60 O
155
+ ATOM 155 N ALA H 33 -6.014 -10.828 -1.598 1.00 0.38 N
156
+ ATOM 156 CA ALA H 33 -5.190 -10.433 -0.452 1.00 0.38 C
157
+ ATOM 157 C ALA H 33 -5.556 -8.971 -0.197 1.00 0.38 C
158
+ ATOM 158 CB ALA H 33 -3.722 -10.630 -0.726 1.00 0.38 C
159
+ ATOM 159 O ALA H 33 -5.830 -8.218 -1.131 1.00 0.38 O
160
+ ATOM 160 N MET H 34 -5.564 -8.564 1.052 1.00 0.32 N
161
+ ATOM 161 CA MET H 34 -5.903 -7.186 1.411 1.00 0.32 C
162
+ ATOM 162 C MET H 34 -4.755 -6.558 2.213 1.00 0.32 C
163
+ ATOM 163 CB MET H 34 -7.232 -7.165 2.151 1.00 0.32 C
164
+ ATOM 164 O MET H 34 -4.180 -7.195 3.095 1.00 0.32 O
165
+ ATOM 165 N GLY H 35 -4.433 -5.331 1.909 1.00 0.36 N
166
+ ATOM 166 CA GLY H 35 -3.337 -4.645 2.603 1.00 0.36 C
167
+ ATOM 167 C GLY H 35 -3.641 -3.244 3.147 1.00 0.36 C
168
+ ATOM 168 O GLY H 35 -4.668 -2.650 2.818 1.00 0.36 O
169
+ ATOM 169 N TRP H 36 -2.741 -2.743 3.968 1.00 0.29 N
170
+ ATOM 170 CA TRP H 36 -2.872 -1.400 4.540 1.00 0.29 C
171
+ ATOM 171 C TRP H 36 -1.613 -0.656 4.069 1.00 0.29 C
172
+ ATOM 172 CB TRP H 36 -3.025 -1.317 6.035 1.00 0.29 C
173
+ ATOM 173 O TRP H 36 -0.493 -1.132 4.255 1.00 0.29 O
174
+ ATOM 174 N PHE H 37 -1.800 0.499 3.465 1.00 0.33 N
175
+ ATOM 175 CA PHE H 37 -0.685 1.315 2.976 1.00 0.33 C
176
+ ATOM 176 C PHE H 37 -0.848 2.712 3.568 1.00 0.33 C
177
+ ATOM 177 CB PHE H 37 -0.623 1.376 1.466 1.00 0.33 C
178
+ ATOM 178 O PHE H 37 -1.967 3.199 3.734 1.00 0.33 O
179
+ ATOM 179 N ARG H 38 0.248 3.365 3.888 1.00 0.35 N
180
+ ATOM 180 CA ARG H 38 0.190 4.710 4.473 1.00 0.35 C
181
+ ATOM 181 C ARG H 38 1.017 5.725 3.697 1.00 0.35 C
182
+ ATOM 182 CB ARG H 38 0.659 4.700 5.917 1.00 0.35 C
183
+ ATOM 183 O ARG H 38 2.023 5.377 3.078 1.00 0.35 O
184
+ ATOM 184 N GLN H 39 0.609 6.978 3.722 1.00 0.38 N
185
+ ATOM 185 CA GLN H 39 1.317 8.047 3.025 1.00 0.38 C
186
+ ATOM 186 C GLN H 39 1.486 9.308 3.898 1.00 0.38 C
187
+ ATOM 187 CB GLN H 39 0.606 8.427 1.727 1.00 0.38 C
188
+ ATOM 188 O GLN H 39 0.532 10.054 4.119 1.00 0.38 O
189
+ ATOM 189 N ALA H 40 2.677 9.527 4.374 1.00 0.53 N
190
+ ATOM 190 CA ALA H 40 2.958 10.709 5.199 1.00 0.53 C
191
+ ATOM 191 C ALA H 40 3.108 11.900 4.243 1.00 0.53 C
192
+ ATOM 192 CB ALA H 40 4.285 10.531 5.975 1.00 0.53 C
193
+ ATOM 193 O ALA H 40 3.453 11.729 3.074 1.00 0.53 O
194
+ ATOM 194 N PRO H 41 2.849 13.100 4.744 1.00 0.60 N
195
+ ATOM 195 CA PRO H 41 2.963 14.299 3.910 1.00 0.60 C
196
+ ATOM 196 C PRO H 41 4.384 14.464 3.400 1.00 0.60 C
197
+ ATOM 197 CB PRO H 41 2.569 15.562 4.686 1.00 0.60 C
198
+ ATOM 198 O PRO H 41 5.335 14.478 4.181 1.00 0.60 O
199
+ ATOM 199 N GLY H 42 4.562 14.595 2.076 1.00 0.59 N
200
+ ATOM 200 CA GLY H 42 5.880 14.765 1.479 1.00 0.59 C
201
+ ATOM 201 C GLY H 42 6.624 13.444 1.261 1.00 0.59 C
202
+ ATOM 202 O GLY H 42 7.744 13.429 0.750 1.00 0.59 O
203
+ ATOM 203 N LYS H 43 6.006 12.337 1.645 1.00 0.55 N
204
+ ATOM 204 CA LYS H 43 6.624 11.028 1.482 1.00 0.55 C
205
+ ATOM 205 C LYS H 43 5.790 10.166 0.553 1.00 0.55 C
206
+ ATOM 206 CB LYS H 43 6.787 10.301 2.801 1.00 0.55 C
207
+ ATOM 207 O LYS H 43 4.587 10.382 0.404 1.00 0.55 O
208
+ ATOM 208 N GLU H 44 6.410 9.178 -0.086 1.00 0.55 N
209
+ ATOM 209 CA GLU H 44 5.709 8.285 -0.988 1.00 0.55 C
210
+ ATOM 210 C GLU H 44 4.851 7.318 -0.165 1.00 0.55 C
211
+ ATOM 211 CB GLU H 44 6.695 7.472 -1.812 1.00 0.55 C
212
+ ATOM 212 O GLU H 44 4.918 7.307 1.064 1.00 0.55 O
213
+ ATOM 213 N ARG H 45 4.037 6.500 -0.882 1.00 0.58 N
214
+ ATOM 214 CA ARG H 45 3.184 5.522 -0.220 1.00 0.58 C
215
+ ATOM 215 C ARG H 45 4.068 4.404 0.331 1.00 0.58 C
216
+ ATOM 216 CB ARG H 45 2.189 4.955 -1.196 1.00 0.58 C
217
+ ATOM 217 O ARG H 45 4.965 3.915 -0.355 1.00 0.58 O
218
+ ATOM 218 N GLU H 46 3.833 3.982 1.566 1.00 0.52 N
219
+ ATOM 219 CA GLU H 46 4.607 2.913 2.187 1.00 0.52 C
220
+ ATOM 220 C GLU H 46 3.699 1.755 2.571 1.00 0.52 C
221
+ ATOM 221 CB GLU H 46 5.357 3.412 3.427 1.00 0.52 C
222
+ ATOM 222 O GLU H 46 2.622 1.959 3.131 1.00 0.52 O
223
+ ATOM 223 N PHE H 47 4.090 0.537 2.293 1.00 0.45 N
224
+ ATOM 224 CA PHE H 47 3.309 -0.647 2.630 1.00 0.45 C
225
+ ATOM 225 C PHE H 47 3.456 -0.863 4.132 1.00 0.45 C
226
+ ATOM 226 CB PHE H 47 3.741 -1.841 1.803 1.00 0.45 C
227
+ ATOM 227 O PHE H 47 4.567 -0.869 4.662 1.00 0.45 O
228
+ ATOM 228 N VAL H 48 2.297 -1.044 4.820 1.00 0.35 N
229
+ ATOM 229 CA VAL H 48 2.303 -1.245 6.264 1.00 0.35 C
230
+ ATOM 230 C VAL H 48 2.071 -2.694 6.663 1.00 0.35 C
231
+ ATOM 231 CB VAL H 48 1.237 -0.360 6.869 1.00 0.35 C
232
+ ATOM 232 O VAL H 48 2.807 -3.250 7.478 1.00 0.35 O
233
+ ATOM 233 N ALA H 49 1.053 -3.312 6.095 1.00 0.33 N
234
+ ATOM 234 CA ALA H 49 0.739 -4.712 6.419 1.00 0.33 C
235
+ ATOM 235 C ALA H 49 -0.129 -5.370 5.374 1.00 0.33 C
236
+ ATOM 236 CB ALA H 49 0.022 -4.784 7.755 1.00 0.33 C
237
+ ATOM 237 O ALA H 49 -0.837 -4.695 4.627 1.00 0.33 O
238
+ ATOM 238 N ALA H 50 -0.122 -6.672 5.270 1.00 0.35 N
239
+ ATOM 239 CA ALA H 50 -0.929 -7.409 4.301 1.00 0.35 C
240
+ ATOM 240 C ALA H 50 -1.401 -8.757 4.852 1.00 0.35 C
241
+ ATOM 241 CB ALA H 50 -0.170 -7.632 2.992 1.00 0.35 C
242
+ ATOM 242 O ALA H 50 -0.700 -9.398 5.635 1.00 0.35 O
243
+ ATOM 243 N ILE H 51 -2.592 -9.191 4.444 1.00 0.30 N
244
+ ATOM 244 CA ILE H 51 -3.156 -10.459 4.887 1.00 0.30 C
245
+ ATOM 245 C ILE H 51 -3.685 -11.234 3.687 1.00 0.30 C
246
+ ATOM 246 CB ILE H 51 -4.258 -10.229 5.918 1.00 0.30 C
247
+ ATOM 247 O ILE H 51 -4.332 -10.666 2.806 1.00 0.30 O
248
+ ATOM 248 N THR H 52 -3.431 -12.519 3.620 1.00 0.38 N
249
+ ATOM 249 CA THR H 52 -3.882 -13.359 2.523 1.00 0.38 C
250
+ ATOM 250 C THR H 52 -5.375 -13.571 2.581 1.00 0.38 C
251
+ ATOM 251 CB THR H 52 -3.133 -14.684 2.518 1.00 0.38 C
252
+ ATOM 252 O THR H 52 -6.009 -13.308 3.603 1.00 0.38 O
253
+ ATOM 253 N TRP H 53 -5.967 -14.062 1.455 1.00 0.42 N
254
+ ATOM 254 CA TRP H 53 -7.399 -14.302 1.384 1.00 0.42 C
255
+ ATOM 255 C TRP H 53 -7.902 -15.305 2.432 1.00 0.42 C
256
+ ATOM 256 CB TRP H 53 -7.767 -14.803 -0.012 1.00 0.42 C
257
+ ATOM 257 O TRP H 53 -8.958 -15.110 3.034 1.00 0.42 O
258
+ ATOM 258 N ASP H 54 -7.125 -16.377 2.636 1.00 0.48 N
259
+ ATOM 259 CA ASP H 54 -7.507 -17.410 3.601 1.00 0.48 C
260
+ ATOM 260 C ASP H 54 -7.244 -16.967 5.030 1.00 0.48 C
261
+ ATOM 261 CB ASP H 54 -6.842 -18.732 3.249 1.00 0.48 C
262
+ ATOM 262 O ASP H 54 -7.806 -17.521 5.975 1.00 0.48 O
263
+ ATOM 263 N GLY H 55 -6.390 -15.963 5.223 1.00 0.51 N
264
+ ATOM 264 CA GLY H 55 -6.097 -15.450 6.553 1.00 0.51 C
265
+ ATOM 265 C GLY H 55 -4.870 -15.977 7.275 1.00 0.51 C
266
+ ATOM 266 O GLY H 55 -4.480 -15.454 8.319 1.00 0.51 O
267
+ ATOM 267 N GLY H 56 -4.251 -17.027 6.713 1.00 0.55 N
268
+ ATOM 268 CA GLY H 56 -3.091 -17.637 7.366 1.00 0.55 C
269
+ ATOM 269 C GLY H 56 -1.730 -16.934 7.396 1.00 0.55 C
270
+ ATOM 270 O GLY H 56 -0.898 -17.209 8.261 1.00 0.55 O
271
+ ATOM 271 N ASN H 57 -1.505 -16.022 6.444 1.00 0.44 N
272
+ ATOM 272 CA ASN H 57 -0.235 -15.314 6.373 1.00 0.44 C
273
+ ATOM 273 C ASN H 57 -0.296 -13.788 6.416 1.00 0.44 C
274
+ ATOM 274 CB ASN H 57 0.441 -15.752 5.093 1.00 0.44 C
275
+ ATOM 275 O ASN H 57 -0.882 -13.156 5.536 1.00 0.44 O
276
+ ATOM 276 N THR H 58 0.297 -13.210 7.418 1.00 0.42 N
277
+ ATOM 277 CA THR H 58 0.328 -11.759 7.578 1.00 0.42 C
278
+ ATOM 278 C THR H 58 1.774 -11.289 7.469 1.00 0.42 C
279
+ ATOM 279 CB THR H 58 -0.253 -11.310 8.905 1.00 0.42 C
280
+ ATOM 280 O THR H 58 2.687 -11.934 7.985 1.00 0.42 O
281
+ ATOM 281 N TYR H 59 1.986 -10.140 6.782 1.00 0.45 N
282
+ ATOM 282 CA TYR H 59 3.316 -9.580 6.612 1.00 0.45 C
283
+ ATOM 283 C TYR H 59 3.302 -8.111 7.040 1.00 0.45 C
284
+ ATOM 284 CB TYR H 59 3.817 -9.740 5.179 1.00 0.45 C
285
+ ATOM 285 O TYR H 59 2.397 -7.358 6.680 1.00 0.45 O
286
+ ATOM 286 N TYR H 60 4.315 -7.718 7.809 1.00 0.44 N
287
+ ATOM 287 CA TYR H 60 4.424 -6.340 8.284 1.00 0.44 C
288
+ ATOM 288 C TYR H 60 5.772 -5.664 7.939 1.00 0.44 C
289
+ ATOM 289 CB TYR H 60 4.300 -6.328 9.819 1.00 0.44 C
290
+ ATOM 290 O TYR H 60 6.818 -6.313 7.932 1.00 0.44 O
291
+ ATOM 291 N THR H 61 5.703 -4.374 7.663 1.00 0.44 N
292
+ ATOM 292 CA THR H 61 6.922 -3.613 7.359 1.00 0.44 C
293
+ ATOM 293 C THR H 61 7.716 -3.646 8.692 1.00 0.44 C
294
+ ATOM 294 CB THR H 61 6.597 -2.229 6.855 1.00 0.44 C
295
+ ATOM 295 O THR H 61 7.130 -3.649 9.774 1.00 0.44 O
296
+ ATOM 296 N ASP H 62 9.022 -3.671 8.583 1.00 0.50 N
297
+ ATOM 297 CA ASP H 62 9.868 -3.704 9.782 1.00 0.50 C
298
+ ATOM 298 C ASP H 62 9.584 -2.598 10.804 1.00 0.50 C
299
+ ATOM 299 CB ASP H 62 11.348 -3.599 9.380 1.00 0.50 C
300
+ ATOM 300 O ASP H 62 9.689 -2.814 12.011 1.00 0.50 O
301
+ ATOM 301 N SER H 63 9.222 -1.414 10.312 1.00 0.50 N
302
+ ATOM 302 CA SER H 63 8.940 -0.286 11.194 1.00 0.50 C
303
+ ATOM 303 C SER H 63 7.737 -0.460 12.100 1.00 0.50 C
304
+ ATOM 304 CB SER H 63 8.708 0.964 10.370 1.00 0.50 C
305
+ ATOM 305 O SER H 63 7.645 0.171 13.154 1.00 0.50 O
306
+ ATOM 306 N VAL H 64 6.787 -1.320 11.710 1.00 0.39 N
307
+ ATOM 307 CA VAL H 64 5.590 -1.540 12.518 1.00 0.39 C
308
+ ATOM 308 C VAL H 64 5.539 -2.925 13.163 1.00 0.39 C
309
+ ATOM 309 CB VAL H 64 4.365 -1.364 11.625 1.00 0.39 C
310
+ ATOM 310 O VAL H 64 4.690 -3.193 14.013 1.00 0.39 O
311
+ ATOM 311 N LYS H 65 6.442 -3.819 12.770 1.00 0.47 N
312
+ ATOM 312 CA LYS H 65 6.479 -5.166 13.307 1.00 0.47 C
313
+ ATOM 313 C LYS H 65 6.404 -5.219 14.828 1.00 0.47 C
314
+ ATOM 314 CB LYS H 65 7.740 -5.891 12.849 1.00 0.47 C
315
+ ATOM 315 O LYS H 65 7.144 -4.520 15.520 1.00 0.47 O
316
+ ATOM 316 N GLY H 66 5.500 -6.058 15.340 1.00 0.46 N
317
+ ATOM 317 CA GLY H 66 5.339 -6.204 16.792 1.00 0.46 C
318
+ ATOM 318 C GLY H 66 4.369 -5.191 17.402 1.00 0.46 C
319
+ ATOM 319 O GLY H 66 3.843 -5.401 18.495 1.00 0.46 O
320
+ ATOM 320 N ARG H 67 4.134 -4.094 16.695 1.00 0.38 N
321
+ ATOM 321 CA ARG H 67 3.231 -3.050 17.184 1.00 0.38 C
322
+ ATOM 322 C ARG H 67 1.860 -3.104 16.510 1.00 0.38 C
323
+ ATOM 323 CB ARG H 67 3.874 -1.684 16.947 1.00 0.38 C
324
+ ATOM 324 O ARG H 67 0.831 -2.904 17.156 1.00 0.38 O
325
+ ATOM 325 N PHE H 68 1.840 -3.369 15.241 1.00 0.31 N
326
+ ATOM 326 CA PHE H 68 0.585 -3.446 14.494 1.00 0.31 C
327
+ ATOM 327 C PHE H 68 0.162 -4.890 14.215 1.00 0.31 C
328
+ ATOM 328 CB PHE H 68 0.722 -2.720 13.160 1.00 0.31 C
329
+ ATOM 329 O PHE H 68 1.004 -5.777 14.074 1.00 0.31 O
330
+ ATOM 330 N THR H 69 -1.160 -5.133 14.132 1.00 0.32 N
331
+ ATOM 331 CA THR H 69 -1.685 -6.458 13.873 1.00 0.32 C
332
+ ATOM 332 C THR H 69 -2.807 -6.385 12.858 1.00 0.32 C
333
+ ATOM 333 CB THR H 69 -2.197 -7.134 15.136 1.00 0.32 C
334
+ ATOM 334 O THR H 69 -3.799 -5.687 13.065 1.00 0.32 O
335
+ ATOM 335 N ILE H 70 -2.673 -7.105 11.737 1.00 0.29 N
336
+ ATOM 336 CA ILE H 70 -3.693 -7.122 10.697 1.00 0.29 C
337
+ ATOM 337 C ILE H 70 -4.539 -8.386 10.837 1.00 0.29 C
338
+ ATOM 338 CB ILE H 70 -3.070 -7.050 9.304 1.00 0.29 C
339
+ ATOM 339 O ILE H 70 -4.008 -9.481 11.024 1.00 0.29 O
340
+ ATOM 340 N SER H 71 -5.874 -8.227 10.744 1.00 0.32 N
341
+ ATOM 341 CA SER H 71 -6.784 -9.352 10.848 1.00 0.32 C
342
+ ATOM 342 C SER H 71 -7.959 -9.140 9.904 1.00 0.32 C
343
+ ATOM 343 CB SER H 71 -7.281 -9.538 12.261 1.00 0.32 C
344
+ ATOM 344 O SER H 71 -8.256 -8.012 9.510 1.00 0.32 O
345
+ ATOM 345 N ARG H 72 -8.647 -10.265 9.532 1.00 0.33 N
346
+ ATOM 346 CA ARG H 72 -9.783 -10.188 8.651 1.00 0.33 C
347
+ ATOM 347 C ARG H 72 -10.968 -10.965 9.179 1.00 0.33 C
348
+ ATOM 348 CB ARG H 72 -9.480 -10.774 7.283 1.00 0.33 C
349
+ ATOM 349 O ARG H 72 -10.805 -11.995 9.833 1.00 0.33 O
350
+ ATOM 350 N ASP H 73 -12.200 -10.452 8.883 1.00 0.35 N
351
+ ATOM 351 CA ASP H 73 -13.429 -11.133 9.306 1.00 0.35 C
352
+ ATOM 352 C ASP H 73 -14.060 -11.474 7.968 1.00 0.35 C
353
+ ATOM 353 CB ASP H 73 -14.341 -10.310 10.228 1.00 0.35 C
354
+ ATOM 354 O ASP H 73 -14.701 -10.630 7.341 1.00 0.35 O
355
+ ATOM 355 N ASN H 74 -13.904 -12.700 7.493 1.00 0.47 N
356
+ ATOM 356 CA ASN H 74 -14.449 -13.121 6.209 1.00 0.47 C
357
+ ATOM 357 C ASN H 74 -15.961 -13.062 6.136 1.00 0.47 C
358
+ ATOM 358 CB ASN H 74 -13.946 -14.507 5.854 1.00 0.47 C
359
+ ATOM 359 O ASN H 74 -16.531 -12.794 5.078 1.00 0.47 O
360
+ ATOM 360 N ALA H 75 -16.634 -13.316 7.278 1.00 0.42 N
361
+ ATOM 361 CA ALA H 75 -18.098 -13.285 7.319 1.00 0.42 C
362
+ ATOM 362 C ALA H 75 -18.636 -11.862 7.171 1.00 0.42 C
363
+ ATOM 363 CB ALA H 75 -18.590 -13.867 8.644 1.00 0.42 C
364
+ ATOM 364 O ALA H 75 -19.756 -11.658 6.704 1.00 0.42 O
365
+ ATOM 365 N LYS H 76 -17.814 -10.852 7.580 1.00 0.38 N
366
+ ATOM 366 CA LYS H 76 -18.227 -9.457 7.497 1.00 0.38 C
367
+ ATOM 367 C LYS H 76 -17.548 -8.726 6.353 1.00 0.38 C
368
+ ATOM 368 CB LYS H 76 -17.931 -8.777 8.827 1.00 0.38 C
369
+ ATOM 369 O LYS H 76 -17.759 -7.530 6.156 1.00 0.38 O
370
+ ATOM 370 N ASN H 77 -16.730 -9.437 5.591 1.00 0.36 N
371
+ ATOM 371 CA ASN H 77 -16.011 -8.839 4.454 1.00 0.36 C
372
+ ATOM 372 C ASN H 77 -15.228 -7.619 4.909 1.00 0.36 C
373
+ ATOM 373 CB ASN H 77 -16.980 -8.426 3.341 1.00 0.36 C
374
+ ATOM 374 O ASN H 77 -15.160 -6.614 4.201 1.00 0.36 O
375
+ ATOM 375 N THR H 78 -14.626 -7.677 6.092 1.00 0.29 N
376
+ ATOM 376 CA THR H 78 -13.864 -6.559 6.638 1.00 0.29 C
377
+ ATOM 377 C THR H 78 -12.433 -6.898 7.085 1.00 0.29 C
378
+ ATOM 378 CB THR H 78 -14.621 -6.041 7.854 1.00 0.29 C
379
+ ATOM 379 O THR H 78 -12.171 -7.994 7.580 1.00 0.29 O
380
+ ATOM 380 N VAL H 79 -11.522 -5.950 6.905 1.00 0.25 N
381
+ ATOM 381 CA VAL H 79 -10.131 -6.142 7.298 1.00 0.25 C
382
+ ATOM 382 C VAL H 79 -9.836 -5.097 8.390 1.00 0.25 C
383
+ ATOM 383 CB VAL H 79 -9.178 -6.040 6.113 1.00 0.25 C
384
+ ATOM 384 O VAL H 79 -10.255 -3.944 8.287 1.00 0.25 O
385
+ ATOM 385 N PHE H 80 -9.128 -5.507 9.408 1.00 0.26 N
386
+ ATOM 386 CA PHE H 80 -8.796 -4.600 10.510 1.00 0.26 C
387
+ ATOM 387 C PHE H 80 -7.302 -4.427 10.820 1.00 0.26 C
388
+ ATOM 388 CB PHE H 80 -9.431 -5.141 11.791 1.00 0.26 C
389
+ ATOM 389 O PHE H 80 -6.534 -5.388 10.776 1.00 0.26 O
390
+ ATOM 390 N LEU H 81 -6.910 -3.226 11.125 1.00 0.23 N
391
+ ATOM 391 CA LEU H 81 -5.508 -2.940 11.470 1.00 0.23 C
392
+ ATOM 392 C LEU H 81 -5.444 -2.405 12.912 1.00 0.23 C
393
+ ATOM 393 CB LEU H 81 -4.845 -1.947 10.508 1.00 0.23 C
394
+ ATOM 394 O LEU H 81 -5.749 -1.240 13.165 1.00 0.23 O
395
+ ATOM 395 N GLN H 82 -5.055 -3.237 13.850 1.00 0.27 N
396
+ ATOM 396 CA GLN H 82 -4.953 -2.832 15.249 1.00 0.27 C
397
+ ATOM 397 C GLN H 82 -3.566 -2.200 15.454 1.00 0.27 C
398
+ ATOM 398 CB GLN H 82 -5.193 -4.026 16.168 1.00 0.27 C
399
+ ATOM 399 O GLN H 82 -2.544 -2.879 15.356 1.00 0.27 O
400
+ ATOM 400 N MET H 83 -3.527 -0.911 15.737 1.00 0.29 N
401
+ ATOM 401 CA MET H 83 -2.278 -0.200 15.942 1.00 0.29 C
402
+ ATOM 402 C MET H 83 -2.010 0.130 17.408 1.00 0.29 C
403
+ ATOM 403 CB MET H 83 -2.300 1.076 15.124 1.00 0.29 C
404
+ ATOM 404 O MET H 83 -2.750 0.895 18.027 1.00 0.29 O
405
+ ATOM 405 N ASN H 84 -0.920 -0.471 17.957 1.00 0.33 N
406
+ ATOM 406 CA ASN H 84 -0.557 -0.231 19.352 1.00 0.33 C
407
+ ATOM 407 C ASN H 84 0.771 0.508 19.464 1.00 0.33 C
408
+ ATOM 408 CB ASN H 84 -0.460 -1.545 20.114 1.00 0.33 C
409
+ ATOM 409 O ASN H 84 1.584 0.486 18.539 1.00 0.33 O
410
+ ATOM 410 N SER H 85 1.004 1.180 20.622 1.00 0.34 N
411
+ ATOM 411 CA SER H 85 2.229 1.909 20.868 1.00 0.34 C
412
+ ATOM 412 C SER H 85 2.547 2.849 19.728 1.00 0.34 C
413
+ ATOM 413 CB SER H 85 3.370 0.928 21.056 1.00 0.34 C
414
+ ATOM 414 O SER H 85 3.662 2.853 19.208 1.00 0.34 O
415
+ ATOM 415 N LEU H 86 1.567 3.662 19.321 1.00 0.32 N
416
+ ATOM 416 CA LEU H 86 1.756 4.615 18.219 1.00 0.32 C
417
+ ATOM 417 C LEU H 86 2.818 5.703 18.482 1.00 0.32 C
418
+ ATOM 418 CB LEU H 86 0.431 5.283 17.891 1.00 0.32 C
419
+ ATOM 419 O LEU H 86 2.943 6.204 19.599 1.00 0.32 O
420
+ ATOM 420 N LYS H 87 3.556 6.038 17.428 1.00 0.41 N
421
+ ATOM 421 CA LYS H 87 4.594 7.067 17.544 1.00 0.41 C
422
+ ATOM 422 C LYS H 87 4.268 8.199 16.568 1.00 0.41 C
423
+ ATOM 423 CB LYS H 87 5.981 6.490 17.265 1.00 0.41 C
424
+ ATOM 424 O LYS H 87 3.503 8.014 15.622 1.00 0.41 O
425
+ ATOM 425 N PRO H 88 4.841 9.371 16.789 1.00 0.42 N
426
+ ATOM 426 CA PRO H 88 4.593 10.513 15.915 1.00 0.42 C
427
+ ATOM 427 C PRO H 88 4.892 10.170 14.466 1.00 0.42 C
428
+ ATOM 428 CB PRO H 88 5.431 11.723 16.322 1.00 0.42 C
429
+ ATOM 429 O PRO H 88 4.261 10.698 13.551 1.00 0.42 O
430
+ ATOM 430 N GLU H 89 5.826 9.308 14.216 1.00 0.42 N
431
+ ATOM 431 CA GLU H 89 6.195 8.916 12.845 1.00 0.42 C
432
+ ATOM 432 C GLU H 89 5.123 8.075 12.166 1.00 0.42 C
433
+ ATOM 433 CB GLU H 89 7.538 8.180 12.828 1.00 0.42 C
434
+ ATOM 434 O GLU H 89 5.214 7.782 10.974 1.00 0.42 O
435
+ ATOM 435 N ASP H 90 4.096 7.676 12.917 1.00 0.34 N
436
+ ATOM 436 CA ASP H 90 3.009 6.874 12.360 1.00 0.34 C
437
+ ATOM 437 C ASP H 90 1.956 7.788 11.730 1.00 0.34 C
438
+ ATOM 438 CB ASP H 90 2.402 5.946 13.408 1.00 0.34 C
439
+ ATOM 439 O ASP H 90 1.046 7.321 11.044 1.00 0.34 O
440
+ ATOM 440 N THR H 91 2.086 9.083 11.965 1.00 0.36 N
441
+ ATOM 441 CA THR H 91 1.142 10.056 11.400 1.00 0.36 C
442
+ ATOM 442 C THR H 91 1.144 9.913 9.875 1.00 0.36 C
443
+ ATOM 443 CB THR H 91 1.511 11.460 11.817 1.00 0.36 C
444
+ ATOM 444 O THR H 91 2.185 10.044 9.232 1.00 0.36 O
445
+ ATOM 445 N ALA H 92 -0.072 9.633 9.285 1.00 0.34 N
446
+ ATOM 446 CA ALA H 92 -0.188 9.480 7.849 1.00 0.34 C
447
+ ATOM 447 C ALA H 92 -1.600 9.111 7.425 1.00 0.34 C
448
+ ATOM 448 CB ALA H 92 0.654 8.236 7.412 1.00 0.34 C
449
+ ATOM 449 O ALA H 92 -2.427 8.727 8.252 1.00 0.34 O
450
+ ATOM 450 N VAL H 93 -1.891 9.225 6.123 1.00 0.36 N
451
+ ATOM 451 CA VAL H 93 -3.190 8.883 5.587 1.00 0.36 C
452
+ ATOM 452 C VAL H 93 -3.087 7.385 5.330 1.00 0.36 C
453
+ ATOM 453 CB VAL H 93 -3.543 9.690 4.338 1.00 0.36 C
454
+ ATOM 454 O VAL H 93 -2.221 6.933 4.581 1.00 0.36 O
455
+ ATOM 455 N TYR H 94 -3.962 6.600 5.940 1.00 0.25 N
456
+ ATOM 456 CA TYR H 94 -3.963 5.157 5.788 1.00 0.25 C
457
+ ATOM 457 C TYR H 94 -4.967 4.681 4.764 1.00 0.25 C
458
+ ATOM 458 CB TYR H 94 -4.234 4.522 7.128 1.00 0.25 C
459
+ ATOM 459 O TYR H 94 -6.149 5.014 4.838 1.00 0.25 O
460
+ ATOM 460 N TYR H 95 -4.497 3.886 3.787 1.00 0.30 N
461
+ ATOM 461 CA TYR H 95 -5.356 3.364 2.741 1.00 0.30 C
462
+ ATOM 462 C TYR H 95 -5.429 1.851 2.715 1.00 0.30 C
463
+ ATOM 463 CB TYR H 95 -4.835 3.765 1.346 1.00 0.30 C
464
+ ATOM 464 O TYR H 95 -4.412 1.169 2.841 1.00 0.30 O
465
+ ATOM 465 N CYS H 96 -6.662 1.314 2.546 1.00 0.30 N
466
+ ATOM 466 CA CYS H 96 -6.853 -0.134 2.458 1.00 0.30 C
467
+ ATOM 467 C CYS H 96 -6.885 -0.448 0.955 1.00 0.30 C
468
+ ATOM 468 CB CYS H 96 -8.124 -0.623 3.118 1.00 0.30 C
469
+ ATOM 469 O CYS H 96 -7.558 0.234 0.183 1.00 0.30 O
470
+ ATOM 470 N ALA H 97 -6.136 -1.503 0.575 1.00 0.32 N
471
+ ATOM 471 CA ALA H 97 -6.099 -1.905 -0.842 1.00 0.32 C
472
+ ATOM 472 C ALA H 97 -6.332 -3.414 -1.013 1.00 0.32 C
473
+ ATOM 473 CB ALA H 97 -4.769 -1.536 -1.490 1.00 0.32 C
474
+ ATOM 474 O ALA H 97 -5.764 -4.226 -0.283 1.00 0.32 O
475
+ ATOM 475 N ALA H 98 -7.137 -3.784 -1.944 1.00 0.35 N
476
+ ATOM 476 CA ALA H 98 -7.419 -5.193 -2.211 1.00 0.35 C
477
+ ATOM 477 C ALA H 98 -6.889 -5.572 -3.607 1.00 0.35 C
478
+ ATOM 478 CB ALA H 98 -8.906 -5.513 -2.157 1.00 0.35 C
479
+ ATOM 479 O ALA H 98 -6.844 -4.738 -4.511 1.00 0.35 O
480
+ ATOM 480 N LYS H 99 -6.499 -6.828 -3.750 1.00 0.44 N
481
+ ATOM 481 CA LYS H 99 -5.997 -7.313 -5.033 1.00 0.44 C
482
+ ATOM 482 C LYS H 99 -6.742 -8.557 -5.519 1.00 0.44 C
483
+ ATOM 483 CB LYS H 99 -4.532 -7.688 -5.011 1.00 0.44 C
484
+ ATOM 484 O LYS H 99 -6.831 -9.557 -4.807 1.00 0.44 O
485
+ ATOM 485 N LEU H 100 -7.268 -8.462 -6.747 1.00 0.66 N
486
+ ATOM 486 CA LEU H 100 -7.981 -9.580 -7.355 1.00 0.66 C
487
+ ATOM 487 C LEU H 100 -6.807 -10.495 -7.583 1.00 0.66 C
488
+ ATOM 488 CB LEU H 100 -8.857 -9.260 -8.541 1.00 0.66 C
489
+ ATOM 489 O LEU H 100 -5.751 -10.330 -6.972 1.00 0.66 O
490
+ ATOM 490 N LEU H 101 -7.006 -11.478 -8.486 1.00 0.82 N
491
+ ATOM 491 CA LEU H 101 -5.941 -12.440 -8.752 1.00 0.82 C
492
+ ATOM 492 C LEU H 101 -4.901 -12.920 -7.732 1.00 0.82 C
493
+ ATOM 493 CB LEU H 101 -5.358 -12.610 -9.928 1.00 0.82 C
494
+ ATOM 494 O LEU H 101 -4.273 -12.115 -7.045 1.00 0.82 O
495
+ ATOM 495 N GLY H 102 -5.162 -14.138 -8.076 1.00 0.97 N
496
+ ATOM 496 CA GLY H 102 -4.721 -15.419 -7.595 1.00 0.97 C
497
+ ATOM 497 C GLY H 102 -3.939 -15.567 -6.321 1.00 0.97 C
498
+ ATOM 498 O GLY H 102 -4.413 -16.171 -5.359 1.00 0.97 O
499
+ ATOM 499 N SER H 103 -2.774 -14.959 -6.490 1.00 1.01 N
500
+ ATOM 500 CA SER H 103 -1.671 -14.915 -5.552 1.00 1.01 C
501
+ ATOM 501 C SER H 103 -1.748 -15.096 -4.037 1.00 1.01 C
502
+ ATOM 502 CB SER H 103 -0.792 -14.040 -6.071 1.00 1.01 C
503
+ ATOM 503 O SER H 103 -2.439 -14.346 -3.348 1.00 1.01 O
504
+ ATOM 504 N SER H 104 -0.980 -16.119 -3.751 1.00 1.58 N
505
+ ATOM 505 CA SER H 104 -0.741 -16.782 -2.483 1.00 1.58 C
506
+ ATOM 506 C SER H 104 0.596 -16.368 -1.878 1.00 1.58 C
507
+ ATOM 507 CB SER H 104 0.075 -17.349 -3.381 1.00 1.58 C
508
+ ATOM 508 O SER H 104 1.091 -17.005 -0.949 1.00 1.58 O
509
+ ATOM 509 N ARG H 105 0.942 -15.306 -2.573 1.00 1.69 N
510
+ ATOM 510 CA ARG H 105 2.307 -14.800 -2.480 1.00 1.69 C
511
+ ATOM 511 C ARG H 105 3.463 -13.943 -1.978 1.00 1.69 C
512
+ ATOM 512 CB ARG H 105 1.735 -13.938 -3.619 1.00 1.69 C
513
+ ATOM 513 O ARG H 105 4.623 -14.348 -2.044 1.00 1.69 O
514
+ ATOM 514 N TYR H 106 2.996 -12.783 -1.500 1.00 1.24 N
515
+ ATOM 515 CA TYR H 106 3.983 -11.805 -1.043 1.00 1.24 C
516
+ ATOM 516 C TYR H 106 3.276 -10.481 -0.944 1.00 1.24 C
517
+ ATOM 517 CB TYR H 106 4.437 -11.616 -2.523 1.00 1.24 C
518
+ ATOM 518 O TYR H 106 3.803 -9.527 -0.373 1.00 1.24 O
519
+ ATOM 519 N GLU H 107 2.040 -10.493 -1.542 1.00 0.85 N
520
+ ATOM 520 CA GLU H 107 1.251 -9.273 -1.656 1.00 0.85 C
521
+ ATOM 521 C GLU H 107 2.217 -8.095 -1.438 1.00 0.85 C
522
+ ATOM 522 CB GLU H 107 -0.207 -9.028 -0.967 1.00 0.85 C
523
+ ATOM 523 O GLU H 107 2.671 -7.468 -2.394 1.00 0.85 O
524
+ ATOM 524 N LEU H 108 2.541 -7.782 -0.172 1.00 0.95 N
525
+ ATOM 525 CA LEU H 108 3.425 -6.666 0.159 1.00 0.95 C
526
+ ATOM 526 C LEU H 108 3.839 -5.601 -0.864 1.00 0.95 C
527
+ ATOM 527 CB LEU H 108 4.877 -7.056 0.303 1.00 0.95 C
528
+ ATOM 528 O LEU H 108 4.336 -4.536 -0.498 1.00 0.95 O
529
+ ATOM 529 N ALA H 109 3.611 -5.933 -2.146 1.00 0.78 N
530
+ ATOM 530 CA ALA H 109 4.076 -5.039 -3.207 1.00 0.78 C
531
+ ATOM 531 C ALA H 109 3.172 -4.019 -3.859 1.00 0.78 C
532
+ ATOM 532 CB ALA H 109 4.520 -6.063 -4.073 1.00 0.78 C
533
+ ATOM 533 O ALA H 109 3.061 -3.967 -5.083 1.00 0.78 O
534
+ ATOM 534 N LEU H 110 2.522 -3.201 -3.004 1.00 0.74 N
535
+ ATOM 535 CA LEU H 110 1.570 -2.196 -3.455 1.00 0.74 C
536
+ ATOM 536 C LEU H 110 1.246 -2.307 -4.951 1.00 0.74 C
537
+ ATOM 537 CB LEU H 110 1.922 -0.725 -3.266 1.00 0.74 C
538
+ ATOM 538 O LEU H 110 0.087 -2.207 -5.353 1.00 0.74 O
539
+ ATOM 539 N ALA H 111 2.280 -2.513 -5.761 1.00 0.66 N
540
+ ATOM 540 CA ALA H 111 2.108 -2.587 -7.214 1.00 0.66 C
541
+ ATOM 541 C ALA H 111 1.145 -3.636 -7.750 1.00 0.66 C
542
+ ATOM 542 CB ALA H 111 3.457 -2.764 -7.912 1.00 0.66 C
543
+ ATOM 543 O ALA H 111 0.679 -3.542 -8.886 1.00 0.66 O
544
+ ATOM 544 N GLY H 112 0.834 -4.659 -6.926 1.00 0.57 N
545
+ ATOM 545 CA GLY H 112 -0.087 -5.702 -7.348 1.00 0.57 C
546
+ ATOM 546 C GLY H 112 -1.472 -5.450 -6.748 1.00 0.57 C
547
+ ATOM 547 O GLY H 112 -2.341 -6.321 -6.783 1.00 0.57 O
548
+ ATOM 548 N TYR H 113 -1.674 -4.262 -6.199 1.00 0.45 N
549
+ ATOM 549 CA TYR H 113 -2.965 -3.897 -5.599 1.00 0.45 C
550
+ ATOM 550 C TYR H 113 -3.797 -3.238 -6.696 1.00 0.45 C
551
+ ATOM 551 CB TYR H 113 -2.798 -2.988 -4.363 1.00 0.45 C
552
+ ATOM 552 O TYR H 113 -3.364 -2.266 -7.316 1.00 0.45 O
553
+ ATOM 553 N ASP H 114 -4.983 -3.737 -6.957 1.00 0.44 N
554
+ ATOM 554 CA ASP H 114 -5.851 -3.189 -8.003 1.00 0.44 C
555
+ ATOM 555 C ASP H 114 -6.888 -2.184 -7.520 1.00 0.44 C
556
+ ATOM 556 CB ASP H 114 -6.575 -4.341 -8.683 1.00 0.44 C
557
+ ATOM 557 O ASP H 114 -7.157 -1.185 -8.188 1.00 0.44 O
558
+ ATOM 558 N TYR H 115 -7.480 -2.471 -6.317 1.00 0.34 N
559
+ ATOM 559 CA TYR H 115 -8.495 -1.582 -5.749 1.00 0.34 C
560
+ ATOM 560 C TYR H 115 -8.022 -0.855 -4.486 1.00 0.34 C
561
+ ATOM 561 CB TYR H 115 -9.753 -2.396 -5.460 1.00 0.34 C
562
+ ATOM 562 O TYR H 115 -7.448 -1.467 -3.584 1.00 0.34 O
563
+ ATOM 563 N TRP H 116 -8.277 0.446 -4.451 1.00 0.37 N
564
+ ATOM 564 CA TRP H 116 -7.875 1.256 -3.297 1.00 0.37 C
565
+ ATOM 565 C TRP H 116 -9.056 1.988 -2.666 1.00 0.37 C
566
+ ATOM 566 CB TRP H 116 -6.894 2.338 -3.719 1.00 0.37 C
567
+ ATOM 567 O TRP H 116 -10.028 2.318 -3.346 1.00 0.37 O
568
+ ATOM 568 N GLY H 117 -8.971 2.246 -1.342 1.00 0.37 N
569
+ ATOM 569 CA GLY H 117 -10.018 2.961 -0.636 1.00 0.37 C
570
+ ATOM 570 C GLY H 117 -9.637 4.440 -0.746 1.00 0.37 C
571
+ ATOM 571 O GLY H 117 -8.638 4.788 -1.375 1.00 0.37 O
572
+ ATOM 572 N GLN H 118 -10.449 5.315 -0.123 1.00 0.35 N
573
+ ATOM 573 CA GLN H 118 -10.200 6.744 -0.161 1.00 0.35 C
574
+ ATOM 574 C GLN H 118 -9.171 7.166 0.880 1.00 0.35 C
575
+ ATOM 575 CB GLN H 118 -11.512 7.489 -0.010 1.00 0.35 C
576
+ ATOM 576 O GLN H 118 -8.550 8.222 0.761 1.00 0.35 O
577
+ ATOM 577 N GLY H 119 -8.963 6.371 1.912 1.00 0.35 N
578
+ ATOM 578 CA GLY H 119 -7.998 6.674 2.956 1.00 0.35 C
579
+ ATOM 579 C GLY H 119 -8.556 7.317 4.222 1.00 0.35 C
580
+ ATOM 580 O GLY H 119 -9.593 7.979 4.188 1.00 0.35 O
581
+ ATOM 581 N THR H 120 -7.881 7.131 5.332 1.00 0.30 N
582
+ ATOM 582 CA THR H 120 -8.307 7.711 6.605 1.00 0.30 C
583
+ ATOM 583 C THR H 120 -7.085 8.319 7.290 1.00 0.30 C
584
+ ATOM 584 CB THR H 120 -8.996 6.703 7.516 1.00 0.30 C
585
+ ATOM 585 O THR H 120 -6.044 7.672 7.413 1.00 0.30 O
586
+ ATOM 586 N GLN H 121 -7.205 9.565 7.740 1.00 0.35 N
587
+ ATOM 587 CA GLN H 121 -6.103 10.248 8.407 1.00 0.35 C
588
+ ATOM 588 C GLN H 121 -5.885 9.848 9.864 1.00 0.35 C
589
+ ATOM 589 CB GLN H 121 -6.342 11.761 8.393 1.00 0.35 C
590
+ ATOM 590 O GLN H 121 -6.828 9.807 10.654 1.00 0.35 O
591
+ ATOM 591 N VAL H 122 -4.610 9.547 10.215 1.00 0.24 N
592
+ ATOM 592 CA VAL H 122 -4.265 9.168 11.579 1.00 0.24 C
593
+ ATOM 593 C VAL H 122 -3.161 10.117 12.030 1.00 0.24 C
594
+ ATOM 594 CB VAL H 122 -3.814 7.718 11.741 1.00 0.24 C
595
+ ATOM 595 O VAL H 122 -2.070 10.130 11.460 1.00 0.24 O
596
+ ATOM 596 N THR H 123 -3.440 10.935 13.075 1.00 0.25 N
597
+ ATOM 597 CA THR H 123 -2.463 11.875 13.594 1.00 0.25 C
598
+ ATOM 598 C THR H 123 -2.000 11.491 15.001 1.00 0.25 C
599
+ ATOM 599 CB THR H 123 -3.041 13.289 13.600 1.00 0.25 C
600
+ ATOM 600 O THR H 123 -2.810 11.369 15.919 1.00 0.25 O
601
+ ATOM 601 N VAL H 124 -0.692 11.298 15.181 1.00 0.29 N
602
+ ATOM 602 CA VAL H 124 -0.127 10.958 16.460 1.00 0.29 C
603
+ ATOM 603 C VAL H 124 0.682 12.118 17.055 1.00 0.29 C
604
+ ATOM 604 CB VAL H 124 0.801 9.746 16.337 1.00 0.29 C
605
+ ATOM 605 O VAL H 124 1.706 12.520 16.503 1.00 0.29 O
606
+ ATOM 606 N SER H 125 0.171 12.625 18.195 1.00 0.44 N
607
+ ATOM 607 CA SER H 125 0.883 13.718 18.853 1.00 0.44 C
608
+ ATOM 608 C SER H 125 1.657 12.958 20.055 1.00 0.44 C
609
+ ATOM 609 CB SER H 125 0.045 14.776 19.429 1.00 0.44 C
610
+ ATOM 610 O SER H 125 2.214 13.596 20.948 1.00 0.44 O
611
+ TER 611 SER H 125
612
+ END