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Add batch 81

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  1. 1dtq/1dtq_ligand.mol2 +97 -0
  2. 1dtq/1dtq_ligand.sdf +87 -0
  3. 1dtq/1dtq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1dtq/1dtq_protein_processed_fix.pdb +0 -0
  5. 1fq4/1fq4_ligand.mol2 +213 -0
  6. 1fq4/1fq4_ligand.sdf +199 -0
  7. 1fq4/1fq4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1fq4/1fq4_protein_processed_fix.pdb +0 -0
  9. 1h3c/1h3c_ligand.mol2 +130 -0
  10. 1h3c/1h3c_ligand.sdf +120 -0
  11. 1h3c/1h3c_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1h3c/1h3c_protein_processed_fix.pdb +0 -0
  13. 1hms/1hms_ligand.mol2 +121 -0
  14. 1hms/1hms_ligand.sdf +113 -0
  15. 1hms/1hms_protein_esmfold_aligned_tr_fix.pdb +1032 -0
  16. 1hms/1hms_protein_processed_fix.pdb +0 -0
  17. 1hty/1hty_ligand.mol2 +59 -0
  18. 1hty/1hty_ligand.sdf +49 -0
  19. 1hty/1hty_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1hty/1hty_protein_processed_fix.pdb +0 -0
  21. 1k3n/1k3n_ligand.mol2 +458 -0
  22. 1k3n/1k3n_ligand.sdf +458 -0
  23. 1k3n/1k3n_protein_esmfold_aligned_tr_fix.pdb +1203 -0
  24. 1k3n/1k3n_protein_processed_fix.pdb +0 -0
  25. 1o42/1o42_ligand.mol2 +165 -0
  26. 1o42/1o42_ligand.sdf +159 -0
  27. 1o42/1o42_protein_esmfold_aligned_tr_fix.pdb +857 -0
  28. 1o42/1o42_protein_processed_fix.pdb +0 -0
  29. 1ogx/1ogx_ligand.mol2 +95 -0
  30. 1ogx/1ogx_ligand.sdf +85 -0
  31. 1ogx/1ogx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1ogx/1ogx_protein_processed_fix.pdb +0 -0
  33. 1q8u/1q8u_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1q8u/1q8u_protein_processed_fix.pdb +0 -0
  35. 1rnm/1rnm_ligand.mol2 +83 -0
  36. 1rnm/1rnm_ligand.sdf +77 -0
  37. 1rnm/1rnm_protein_esmfold_aligned_tr_fix.pdb +962 -0
  38. 1rnm/1rnm_protein_processed_fix.pdb +0 -0
  39. 1svg/1svg_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1svg/1svg_protein_processed_fix.pdb +0 -0
  41. 1uj5/1uj5_ligand.mol2 +61 -0
  42. 1uj5/1uj5_ligand.sdf +55 -0
  43. 1uj5/1uj5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1uj5/1uj5_protein_processed_fix.pdb +0 -0
  45. 1urg/1urg_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 1urg/1urg_protein_processed_fix.pdb +0 -0
  47. 2bts/2bts_ligand.mol2 +85 -0
  48. 2bts/2bts_ligand.sdf +75 -0
  49. 2bts/2bts_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2bts/2bts_protein_processed_fix.pdb +0 -0
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1dtq/1dtq_ligand.sdf ADDED
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+ $$$$
1dtq/1dtq_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1dtq/1dtq_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fq4/1fq4_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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1fq4/1fq4_protein_processed_fix.pdb ADDED
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1h3c/1h3c_ligand.mol2 ADDED
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1h3c/1h3c_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ ATOM 6 N VAL A 1 21.943 38.825 34.403 1.00 84.78 N
7
+ ATOM 7 O VAL A 1 19.242 39.140 36.634 1.00 86.49 O
8
+ ATOM 8 C ASP A 2 17.111 38.489 34.660 1.00 92.77 C
9
+ ATOM 9 CA ASP A 2 17.805 39.792 34.266 1.00 92.43 C
10
+ ATOM 10 CB ASP A 2 17.402 40.195 32.846 1.00 89.91 C
11
+ ATOM 11 CG ASP A 2 17.747 41.637 32.519 1.00 81.65 C
12
+ ATOM 12 N ASP A 2 19.255 39.667 34.372 1.00 91.95 N
13
+ ATOM 13 O ASP A 2 16.002 38.508 35.197 1.00 91.94 O
14
+ ATOM 14 OD1 ASP A 2 18.091 42.406 33.441 1.00 75.07 O
15
+ ATOM 15 OD2 ASP A 2 17.670 42.008 31.328 1.00 78.67 O
16
+ ATOM 16 C ALA A 3 16.945 35.960 36.328 1.00 93.44 C
17
+ ATOM 17 CA ALA A 3 17.174 36.104 34.826 1.00 92.89 C
18
+ ATOM 18 CB ALA A 3 18.084 34.988 34.320 1.00 91.35 C
19
+ ATOM 19 N ALA A 3 17.744 37.410 34.505 1.00 92.72 N
20
+ ATOM 20 O ALA A 3 16.087 35.185 36.760 1.00 92.82 O
21
+ ATOM 21 C PHE A 4 16.427 37.396 39.157 1.00 94.99 C
22
+ ATOM 22 CA PHE A 4 17.589 36.566 38.625 1.00 95.24 C
23
+ ATOM 23 CB PHE A 4 18.897 37.008 39.289 1.00 95.01 C
24
+ ATOM 24 CD1 PHE A 4 20.281 34.991 39.879 1.00 93.40 C
25
+ ATOM 25 CD2 PHE A 4 20.905 36.279 37.963 1.00 93.20 C
26
+ ATOM 26 CE1 PHE A 4 21.348 34.126 39.651 1.00 92.63 C
27
+ ATOM 27 CE2 PHE A 4 21.972 35.418 37.728 1.00 92.55 C
28
+ ATOM 28 CG PHE A 4 20.050 36.074 39.039 1.00 94.66 C
29
+ ATOM 29 CZ PHE A 4 22.193 34.342 38.573 1.00 92.06 C
30
+ ATOM 30 N PHE A 4 17.686 36.677 37.176 1.00 94.99 N
31
+ ATOM 31 O PHE A 4 15.988 37.204 40.293 1.00 94.35 O
32
+ ATOM 32 C LEU A 5 13.622 38.557 39.163 1.00 95.14 C
33
+ ATOM 33 CA LEU A 5 14.910 39.302 38.828 1.00 95.34 C
34
+ ATOM 34 CB LEU A 5 14.631 40.384 37.781 1.00 94.81 C
35
+ ATOM 35 CD1 LEU A 5 15.393 42.272 36.318 1.00 89.18 C
36
+ ATOM 36 CD2 LEU A 5 16.507 41.872 38.532 1.00 88.76 C
37
+ ATOM 37 CG LEU A 5 15.830 41.219 37.332 1.00 93.01 C
38
+ ATOM 38 N LEU A 5 15.935 38.380 38.349 1.00 95.32 N
39
+ ATOM 39 O LEU A 5 13.265 37.591 38.484 1.00 94.59 O
40
+ ATOM 40 C GLY A 6 11.672 38.118 42.098 1.00 94.68 C
41
+ ATOM 41 CA GLY A 6 11.748 38.425 40.615 1.00 94.52 C
42
+ ATOM 42 N GLY A 6 13.009 39.034 40.221 1.00 94.49 N
43
+ ATOM 43 O GLY A 6 12.538 38.537 42.870 1.00 94.29 O
44
+ ATOM 44 C THR A 7 10.550 35.551 43.933 1.00 95.03 C
45
+ ATOM 45 CA THR A 7 10.329 37.056 43.804 1.00 95.06 C
46
+ ATOM 46 CB THR A 7 8.893 37.406 44.236 1.00 94.25 C
47
+ ATOM 47 CG2 THR A 7 8.627 36.966 45.672 1.00 87.32 C
48
+ ATOM 48 N THR A 7 10.596 37.503 42.441 1.00 94.99 N
49
+ ATOM 49 O THR A 7 10.003 34.769 43.153 1.00 94.58 O
50
+ ATOM 50 OG1 THR A 7 8.702 38.823 44.137 1.00 84.57 O
51
+ ATOM 51 C TRP A 8 11.465 33.370 46.472 1.00 94.75 C
52
+ ATOM 52 CA TRP A 8 11.798 33.855 45.065 1.00 95.28 C
53
+ ATOM 53 CB TRP A 8 13.299 33.710 44.804 1.00 95.09 C
54
+ ATOM 54 CD1 TRP A 8 14.064 35.324 42.961 1.00 93.23 C
55
+ ATOM 55 CD2 TRP A 8 13.813 33.203 42.287 1.00 93.21 C
56
+ ATOM 56 CE2 TRP A 8 14.233 33.982 41.185 1.00 93.46 C
57
+ ATOM 57 CE3 TRP A 8 13.591 31.832 42.104 1.00 93.94 C
58
+ ATOM 58 CG TRP A 8 13.713 34.082 43.412 1.00 94.69 C
59
+ ATOM 59 CH2 TRP A 8 14.209 32.088 39.764 1.00 91.92 C
60
+ ATOM 60 CZ2 TRP A 8 14.434 33.431 39.917 1.00 92.56 C
61
+ ATOM 61 CZ3 TRP A 8 13.791 31.287 40.841 1.00 92.58 C
62
+ ATOM 62 N TRP A 8 11.375 35.239 44.878 1.00 95.04 N
63
+ ATOM 63 NE1 TRP A 8 14.378 35.270 41.622 1.00 93.56 N
64
+ ATOM 64 O TRP A 8 11.771 34.046 47.457 1.00 93.83 O
65
+ ATOM 65 C LYS A 9 11.343 30.378 48.178 1.00 94.89 C
66
+ ATOM 66 CA LYS A 9 10.476 31.587 47.834 1.00 94.73 C
67
+ ATOM 67 CB LYS A 9 9.002 31.181 47.799 1.00 93.04 C
68
+ ATOM 68 CD LYS A 9 6.959 30.429 49.063 1.00 70.47 C
69
+ ATOM 69 CE LYS A 9 6.410 29.959 50.403 1.00 61.99 C
70
+ ATOM 70 CG LYS A 9 8.440 30.772 49.152 1.00 76.38 C
71
+ ATOM 71 N LYS A 9 10.877 32.176 46.559 1.00 94.82 N
72
+ ATOM 72 NZ LYS A 9 4.953 29.643 50.325 1.00 54.78 N
73
+ ATOM 73 O LYS A 9 11.530 29.486 47.349 1.00 94.39 O
74
+ ATOM 74 C LEU A 10 11.838 28.007 49.923 1.00 93.96 C
75
+ ATOM 75 CA LEU A 10 12.652 29.294 49.845 1.00 94.19 C
76
+ ATOM 76 CB LEU A 10 13.263 29.609 51.213 1.00 93.63 C
77
+ ATOM 77 CD1 LEU A 10 15.469 28.442 50.968 1.00 89.63 C
78
+ ATOM 78 CD2 LEU A 10 14.524 28.870 53.254 1.00 89.41 C
79
+ ATOM 79 CG LEU A 10 14.195 28.548 51.800 1.00 92.38 C
80
+ ATOM 80 N LEU A 10 11.824 30.405 49.387 1.00 94.02 N
81
+ ATOM 81 O LEU A 10 10.752 27.987 50.508 1.00 93.28 O
82
+ ATOM 82 C VAL A 11 12.535 24.513 50.010 1.00 93.96 C
83
+ ATOM 83 CA VAL A 11 11.660 25.606 49.399 1.00 94.07 C
84
+ ATOM 84 CB VAL A 11 11.204 25.193 47.981 1.00 93.44 C
85
+ ATOM 85 CG1 VAL A 11 10.141 26.155 47.455 1.00 89.68 C
86
+ ATOM 86 CG2 VAL A 11 12.399 25.140 47.032 1.00 89.20 C
87
+ ATOM 87 N VAL A 11 12.389 26.869 49.381 1.00 94.19 N
88
+ ATOM 88 O VAL A 11 12.042 23.437 50.356 1.00 93.20 O
89
+ ATOM 89 C ASP A 12 15.955 24.468 51.213 1.00 94.06 C
90
+ ATOM 90 CA ASP A 12 14.689 23.805 50.676 1.00 93.79 C
91
+ ATOM 91 CB ASP A 12 15.052 22.736 49.644 1.00 93.03 C
92
+ ATOM 92 CG ASP A 12 15.772 21.545 50.252 1.00 87.85 C
93
+ ATOM 93 N ASP A 12 13.785 24.793 50.094 1.00 93.70 N
94
+ ATOM 94 O ASP A 12 16.381 25.508 50.705 1.00 93.73 O
95
+ ATOM 95 OD1 ASP A 12 15.311 21.016 51.286 1.00 82.28 O
96
+ ATOM 96 OD2 ASP A 12 16.812 21.134 49.694 1.00 83.71 O
97
+ ATOM 97 C SER A 13 18.482 23.178 53.387 1.00 94.03 C
98
+ ATOM 98 CA SER A 13 17.671 24.346 52.837 1.00 94.39 C
99
+ ATOM 99 CB SER A 13 17.344 25.326 53.965 1.00 93.27 C
100
+ ATOM 100 N SER A 13 16.448 23.885 52.189 1.00 94.40 N
101
+ ATOM 101 O SER A 13 17.947 22.325 54.101 1.00 92.96 O
102
+ ATOM 102 OG SER A 13 18.525 25.917 54.477 1.00 81.00 O
103
+ ATOM 103 C LYS A 14 21.851 22.658 54.255 1.00 95.51 C
104
+ ATOM 104 CA LYS A 14 20.651 22.068 53.519 1.00 95.40 C
105
+ ATOM 105 CB LYS A 14 21.127 21.204 52.349 1.00 94.43 C
106
+ ATOM 106 CD LYS A 14 20.545 19.602 50.496 1.00 78.13 C
107
+ ATOM 107 CE LYS A 14 19.421 18.901 49.745 1.00 70.89 C
108
+ ATOM 108 CG LYS A 14 20.007 20.464 51.631 1.00 84.61 C
109
+ ATOM 109 N LYS A 14 19.753 23.118 53.048 1.00 95.36 N
110
+ ATOM 110 NZ LYS A 14 19.940 18.096 48.600 1.00 62.05 N
111
+ ATOM 111 O LYS A 14 22.526 23.549 53.736 1.00 95.14 O
112
+ ATOM 112 C ASN A 15 23.333 23.889 56.682 1.00 95.27 C
113
+ ATOM 113 CA ASN A 15 23.329 22.430 56.240 1.00 95.17 C
114
+ ATOM 114 CB ASN A 15 24.626 22.096 55.499 1.00 94.15 C
115
+ ATOM 115 CG ASN A 15 24.797 20.609 55.260 1.00 87.62 C
116
+ ATOM 116 N ASN A 15 22.171 22.125 55.407 1.00 95.00 N
117
+ ATOM 117 ND2 ASN A 15 25.526 20.256 54.209 1.00 75.77 N
118
+ ATOM 118 O ASN A 15 24.394 24.465 56.931 1.00 94.63 O
119
+ ATOM 119 OD1 ASN A 15 24.275 19.783 56.014 1.00 75.71 O
120
+ ATOM 120 C PHE A 16 22.495 26.164 58.543 1.00 94.13 C
121
+ ATOM 121 CA PHE A 16 22.046 25.951 57.102 1.00 94.41 C
122
+ ATOM 122 CB PHE A 16 20.613 26.458 56.919 1.00 93.90 C
123
+ ATOM 123 CD1 PHE A 16 21.311 28.835 56.481 1.00 90.38 C
124
+ ATOM 124 CD2 PHE A 16 19.472 28.441 57.957 1.00 90.14 C
125
+ ATOM 125 CE1 PHE A 16 21.173 30.208 56.668 1.00 90.17 C
126
+ ATOM 126 CE2 PHE A 16 19.328 29.812 58.149 1.00 90.46 C
127
+ ATOM 127 CG PHE A 16 20.462 27.941 57.122 1.00 92.85 C
128
+ ATOM 128 CZ PHE A 16 20.181 30.694 57.504 1.00 89.37 C
129
+ ATOM 129 N PHE A 16 22.145 24.543 56.733 1.00 94.18 N
130
+ ATOM 130 O PHE A 16 23.164 27.154 58.851 1.00 93.43 O
131
+ ATOM 131 C ASP A 17 24.074 25.308 60.976 1.00 94.04 C
132
+ ATOM 132 CA ASP A 17 22.553 25.294 60.836 1.00 93.97 C
133
+ ATOM 133 CB ASP A 17 21.960 24.152 61.663 1.00 93.05 C
134
+ ATOM 134 CG ASP A 17 22.247 24.284 63.149 1.00 89.31 C
135
+ ATOM 135 N ASP A 17 22.157 25.173 59.437 1.00 93.86 N
136
+ ATOM 136 O ASP A 17 24.630 26.152 61.683 1.00 93.54 O
137
+ ATOM 137 OD1 ASP A 17 21.535 25.040 63.843 1.00 85.55 O
138
+ ATOM 138 OD2 ASP A 17 23.197 23.627 63.628 1.00 86.09 O
139
+ ATOM 139 C ASP A 18 26.873 25.654 59.834 1.00 94.89 C
140
+ ATOM 140 CA ASP A 18 26.243 24.362 60.350 1.00 94.61 C
141
+ ATOM 141 CB ASP A 18 26.765 23.167 59.552 1.00 93.66 C
142
+ ATOM 142 CG ASP A 18 26.497 21.836 60.232 1.00 87.59 C
143
+ ATOM 143 N ASP A 18 24.786 24.426 60.284 1.00 94.47 N
144
+ ATOM 144 O ASP A 18 27.857 26.139 60.396 1.00 94.60 O
145
+ ATOM 145 OD1 ASP A 18 26.278 21.813 61.463 1.00 80.84 O
146
+ ATOM 146 OD2 ASP A 18 26.506 20.799 59.532 1.00 83.97 O
147
+ ATOM 147 C TYR A 19 26.637 28.521 59.324 1.00 94.96 C
148
+ ATOM 148 CA TYR A 19 26.777 27.409 58.291 1.00 95.11 C
149
+ ATOM 149 CB TYR A 19 26.019 27.784 57.015 1.00 94.87 C
150
+ ATOM 150 CD1 TYR A 19 27.539 29.424 55.841 1.00 93.10 C
151
+ ATOM 151 CD2 TYR A 19 25.447 30.217 56.677 1.00 92.86 C
152
+ ATOM 152 CE1 TYR A 19 27.841 30.698 55.368 1.00 92.29 C
153
+ ATOM 153 CE2 TYR A 19 25.738 31.494 56.208 1.00 92.58 C
154
+ ATOM 154 CG TYR A 19 26.340 29.166 56.502 1.00 94.30 C
155
+ ATOM 155 CZ TYR A 19 26.934 31.724 55.555 1.00 91.65 C
156
+ ATOM 156 N TYR A 19 26.292 26.139 58.822 1.00 94.90 N
157
+ ATOM 157 O TYR A 19 27.593 29.251 59.594 1.00 94.49 O
158
+ ATOM 158 OH TYR A 19 27.227 32.986 55.089 1.00 89.08 O
159
+ ATOM 159 C MET A 20 26.205 29.479 62.151 1.00 93.64 C
160
+ ATOM 160 CA MET A 20 25.305 29.692 60.939 1.00 94.11 C
161
+ ATOM 161 CB MET A 20 23.841 29.764 61.380 1.00 93.54 C
162
+ ATOM 162 CE MET A 20 20.623 28.873 60.858 1.00 88.51 C
163
+ ATOM 163 CG MET A 20 22.920 30.389 60.346 1.00 92.12 C
164
+ ATOM 164 N MET A 20 25.493 28.627 59.958 1.00 93.91 N
165
+ ATOM 165 O MET A 20 26.701 30.444 62.737 1.00 92.74 O
166
+ ATOM 166 SD MET A 20 21.204 30.589 60.963 1.00 92.87 S
167
+ ATOM 167 C LYS A 21 28.681 28.404 63.229 1.00 94.05 C
168
+ ATOM 168 CA LYS A 21 27.260 27.958 63.558 1.00 94.26 C
169
+ ATOM 169 CB LYS A 21 27.240 26.460 63.867 1.00 93.53 C
170
+ ATOM 170 CD LYS A 21 27.986 24.570 65.354 1.00 84.77 C
171
+ ATOM 171 CE LYS A 21 28.838 24.171 66.551 1.00 79.29 C
172
+ ATOM 172 CG LYS A 21 28.071 26.066 65.080 1.00 89.13 C
173
+ ATOM 173 N LYS A 21 26.344 28.268 62.464 1.00 94.34 N
174
+ ATOM 174 NZ LYS A 21 28.748 22.706 66.832 1.00 70.77 N
175
+ ATOM 175 O LYS A 21 29.373 28.967 64.080 1.00 93.33 O
176
+ ATOM 176 C SER A 22 30.648 30.061 61.694 1.00 94.32 C
177
+ ATOM 177 CA SER A 22 30.470 28.548 61.643 1.00 94.76 C
178
+ ATOM 178 CB SER A 22 30.754 28.040 60.228 1.00 94.20 C
179
+ ATOM 179 N SER A 22 29.129 28.158 62.066 1.00 94.92 N
180
+ ATOM 180 O SER A 22 31.761 30.554 61.887 1.00 93.30 O
181
+ ATOM 181 OG SER A 22 30.135 28.873 59.261 1.00 88.14 O
182
+ ATOM 182 C LEU A 23 29.660 32.745 63.056 1.00 92.70 C
183
+ ATOM 183 CA LEU A 23 29.638 32.268 61.608 1.00 93.73 C
184
+ ATOM 184 CB LEU A 23 28.434 32.871 60.879 1.00 93.27 C
185
+ ATOM 185 CD1 LEU A 23 27.061 33.148 58.800 1.00 88.32 C
186
+ ATOM 186 CD2 LEU A 23 29.547 33.481 58.713 1.00 87.81 C
187
+ ATOM 187 CG LEU A 23 28.407 32.701 59.359 1.00 91.72 C
188
+ ATOM 188 N LEU A 23 29.600 30.811 61.540 1.00 93.95 N
189
+ ATOM 189 O LEU A 23 29.831 33.938 63.319 1.00 90.95 O
190
+ ATOM 190 C GLY A 24 27.938 32.533 65.884 1.00 92.46 C
191
+ ATOM 191 CA GLY A 24 29.317 32.147 65.385 1.00 92.54 C
192
+ ATOM 192 N GLY A 24 29.342 31.812 63.970 1.00 92.63 N
193
+ ATOM 193 O GLY A 24 27.806 33.172 66.929 1.00 91.43 O
194
+ ATOM 194 C VAL A 25 25.100 31.629 66.640 1.00 91.98 C
195
+ ATOM 195 CA VAL A 25 25.524 32.553 65.500 1.00 92.17 C
196
+ ATOM 196 CB VAL A 25 24.532 32.433 64.320 1.00 91.43 C
197
+ ATOM 197 CG1 VAL A 25 23.127 32.849 64.752 1.00 87.91 C
198
+ ATOM 198 CG2 VAL A 25 25.004 33.278 63.139 1.00 87.46 C
199
+ ATOM 199 N VAL A 25 26.887 32.237 65.088 1.00 92.11 N
200
+ ATOM 200 O VAL A 25 25.333 30.419 66.586 1.00 90.93 O
201
+ ATOM 201 C GLY A 26 22.981 30.457 68.520 1.00 92.15 C
202
+ ATOM 202 CA GLY A 26 24.077 31.457 68.836 1.00 91.96 C
203
+ ATOM 203 N GLY A 26 24.506 32.220 67.676 1.00 91.74 N
204
+ ATOM 204 O GLY A 26 22.258 30.612 67.533 1.00 91.40 O
205
+ ATOM 205 C PHE A 27 20.596 28.793 69.006 1.00 92.03 C
206
+ ATOM 206 CA PHE A 27 22.049 28.352 69.131 1.00 92.40 C
207
+ ATOM 207 CB PHE A 27 22.195 27.345 70.276 1.00 91.04 C
208
+ ATOM 208 CD1 PHE A 27 21.571 25.160 69.198 1.00 79.29 C
209
+ ATOM 209 CD2 PHE A 27 20.195 25.991 70.968 1.00 80.01 C
210
+ ATOM 210 CE1 PHE A 27 20.746 24.045 69.073 1.00 79.38 C
211
+ ATOM 211 CE2 PHE A 27 19.366 24.878 70.850 1.00 80.72 C
212
+ ATOM 212 CG PHE A 27 21.303 26.142 70.145 1.00 85.54 C
213
+ ATOM 213 CZ PHE A 27 19.643 23.908 69.900 1.00 77.14 C
214
+ ATOM 214 N PHE A 27 22.922 29.500 69.343 1.00 92.11 N
215
+ ATOM 215 O PHE A 27 19.881 28.345 68.108 1.00 90.94 O
216
+ ATOM 216 C ALA A 28 18.330 30.721 68.581 1.00 91.57 C
217
+ ATOM 217 CA ALA A 28 18.672 30.018 69.892 1.00 91.52 C
218
+ ATOM 218 CB ALA A 28 18.379 30.935 71.076 1.00 89.69 C
219
+ ATOM 219 N ALA A 28 20.068 29.592 69.911 1.00 91.50 N
220
+ ATOM 220 O ALA A 28 17.278 30.469 67.990 1.00 90.52 O
221
+ ATOM 221 C THR A 29 19.014 31.368 65.739 1.00 91.62 C
222
+ ATOM 222 CA THR A 29 18.992 32.320 66.931 1.00 91.03 C
223
+ ATOM 223 CB THR A 29 20.060 33.412 66.738 1.00 89.68 C
224
+ ATOM 224 CG2 THR A 29 19.836 34.177 65.438 1.00 82.98 C
225
+ ATOM 225 N THR A 29 19.198 31.592 68.178 1.00 90.86 N
226
+ ATOM 226 O THR A 29 18.214 31.506 64.811 1.00 91.08 O
227
+ ATOM 227 OG1 THR A 29 19.998 34.332 67.836 1.00 83.14 O
228
+ ATOM 228 C ARG A 30 18.676 28.649 64.527 1.00 91.71 C
229
+ ATOM 229 CA ARG A 30 19.966 29.455 64.630 1.00 92.31 C
230
+ ATOM 230 CB ARG A 30 21.159 28.514 64.815 1.00 91.45 C
231
+ ATOM 231 CD ARG A 30 23.654 28.235 64.622 1.00 88.28 C
232
+ ATOM 232 CG ARG A 30 22.506 29.218 64.806 1.00 89.53 C
233
+ ATOM 233 CZ ARG A 30 24.185 27.108 66.758 1.00 84.93 C
234
+ ATOM 234 N ARG A 30 19.897 30.417 65.725 1.00 92.18 N
235
+ ATOM 235 NE ARG A 30 23.578 27.132 65.575 1.00 86.52 N
236
+ ATOM 236 NH1 ARG A 30 24.928 28.134 67.159 1.00 80.52 N
237
+ ATOM 237 NH2 ARG A 30 24.048 26.053 67.547 1.00 80.16 N
238
+ ATOM 238 O ARG A 30 18.239 28.305 63.426 1.00 90.55 O
239
+ ATOM 239 C GLN A 31 15.696 28.388 65.037 1.00 91.53 C
240
+ ATOM 240 CA GLN A 31 16.827 27.600 65.693 1.00 91.81 C
241
+ ATOM 241 CB GLN A 31 16.435 27.208 67.119 1.00 89.27 C
242
+ ATOM 242 CD GLN A 31 17.282 24.824 67.048 1.00 70.09 C
243
+ ATOM 243 CG GLN A 31 17.354 26.169 67.745 1.00 74.99 C
244
+ ATOM 244 N GLN A 31 18.070 28.365 65.695 1.00 92.21 N
245
+ ATOM 245 NE2 GLN A 31 18.441 24.242 66.758 1.00 57.28 N
246
+ ATOM 246 O GLN A 31 14.952 27.849 64.216 1.00 90.02 O
247
+ ATOM 247 OE1 GLN A 31 16.193 24.311 66.772 1.00 65.16 O
248
+ ATOM 248 C VAL A 32 14.843 30.656 63.329 1.00 90.26 C
249
+ ATOM 249 CA VAL A 32 14.604 30.458 64.825 1.00 90.01 C
250
+ ATOM 250 CB VAL A 32 14.541 31.826 65.540 1.00 88.28 C
251
+ ATOM 251 CG1 VAL A 32 13.538 32.751 64.850 1.00 77.74 C
252
+ ATOM 252 CG2 VAL A 32 14.177 31.642 67.012 1.00 77.08 C
253
+ ATOM 253 N VAL A 32 15.652 29.610 65.384 1.00 90.30 N
254
+ ATOM 254 O VAL A 32 13.914 30.543 62.526 1.00 89.27 O
255
+ ATOM 255 C ALA A 33 16.125 29.960 60.716 1.00 90.13 C
256
+ ATOM 256 CA ALA A 33 16.395 31.189 61.578 1.00 90.30 C
257
+ ATOM 257 CB ALA A 33 17.860 31.605 61.463 1.00 89.24 C
258
+ ATOM 258 N ALA A 33 16.045 30.939 62.974 1.00 90.29 N
259
+ ATOM 259 O ALA A 33 15.670 30.081 59.577 1.00 88.99 O
260
+ ATOM 260 C SER A 34 14.782 27.248 60.194 1.00 88.71 C
261
+ ATOM 261 CA SER A 34 16.248 27.559 60.477 1.00 89.59 C
262
+ ATOM 262 CB SER A 34 16.885 26.396 61.240 1.00 87.89 C
263
+ ATOM 263 N SER A 34 16.391 28.803 61.225 1.00 90.03 N
264
+ ATOM 264 O SER A 34 14.466 26.513 59.256 1.00 86.51 O
265
+ ATOM 265 OG SER A 34 18.289 26.568 61.337 1.00 78.21 O
266
+ ATOM 266 C MET A 35 11.787 28.559 59.951 1.00 89.05 C
267
+ ATOM 267 CA MET A 35 12.454 27.556 60.886 1.00 89.73 C
268
+ ATOM 268 CB MET A 35 11.762 27.575 62.252 1.00 87.29 C
269
+ ATOM 269 CE MET A 35 11.792 27.801 65.538 1.00 65.42 C
270
+ ATOM 270 CG MET A 35 12.130 26.397 63.140 1.00 77.61 C
271
+ ATOM 271 N MET A 35 13.878 27.843 61.027 1.00 90.05 N
272
+ ATOM 272 O MET A 35 10.596 28.442 59.656 1.00 86.65 O
273
+ ATOM 273 SD MET A 35 11.134 26.343 64.681 1.00 71.27 S
274
+ ATOM 274 C THR A 36 12.045 30.176 57.234 1.00 88.78 C
275
+ ATOM 275 CA THR A 36 11.930 30.536 58.712 1.00 88.71 C
276
+ ATOM 276 CB THR A 36 12.600 31.900 58.964 1.00 86.32 C
277
+ ATOM 277 CG2 THR A 36 12.585 32.253 60.448 1.00 73.14 C
278
+ ATOM 278 N THR A 36 12.521 29.494 59.545 1.00 89.37 N
279
+ ATOM 279 O THR A 36 12.926 29.407 56.843 1.00 86.99 O
280
+ ATOM 280 OG1 THR A 36 13.958 31.850 58.509 1.00 70.48 O
281
+ ATOM 281 C LYS A 37 11.140 31.840 54.315 1.00 90.62 C
282
+ ATOM 282 CA LYS A 37 11.178 30.468 54.983 1.00 90.25 C
283
+ ATOM 283 CB LYS A 37 9.993 29.624 54.513 1.00 87.77 C
284
+ ATOM 284 CD LYS A 37 8.887 27.366 54.402 1.00 76.60 C
285
+ ATOM 285 CE LYS A 37 8.948 25.909 54.844 1.00 68.99 C
286
+ ATOM 286 CG LYS A 37 10.057 28.169 54.955 1.00 79.85 C
287
+ ATOM 287 N LYS A 37 11.175 30.592 56.438 1.00 90.22 N
288
+ ATOM 288 NZ LYS A 37 7.814 25.113 54.288 1.00 61.13 N
289
+ ATOM 289 O LYS A 37 10.064 32.351 53.995 1.00 89.27 O
290
+ ATOM 290 C PRO A 38 11.815 33.871 52.189 1.00 91.76 C
291
+ ATOM 291 CA PRO A 38 12.270 33.774 53.644 1.00 91.60 C
292
+ ATOM 292 CB PRO A 38 13.741 34.177 53.784 1.00 90.44 C
293
+ ATOM 293 CD PRO A 38 13.680 31.800 54.292 1.00 86.71 C
294
+ ATOM 294 CG PRO A 38 14.500 32.895 53.672 1.00 87.45 C
295
+ ATOM 295 N PRO A 38 12.246 32.402 54.154 1.00 91.44 N
296
+ ATOM 296 O PRO A 38 11.895 32.889 51.447 1.00 91.05 O
297
+ ATOM 297 C THR A 39 12.158 36.430 50.082 1.00 93.79 C
298
+ ATOM 298 CA THR A 39 11.070 35.443 50.496 1.00 93.69 C
299
+ ATOM 299 CB THR A 39 9.686 36.094 50.317 1.00 92.36 C
300
+ ATOM 300 CG2 THR A 39 9.468 36.534 48.874 1.00 79.70 C
301
+ ATOM 301 N THR A 39 11.272 34.998 51.870 1.00 93.70 N
302
+ ATOM 302 O THR A 39 12.442 37.388 50.804 1.00 93.18 O
303
+ ATOM 303 OG1 THR A 39 8.671 35.150 50.676 1.00 77.37 O
304
+ ATOM 304 C THR A 40 13.296 37.754 47.169 1.00 93.94 C
305
+ ATOM 305 CA THR A 40 13.788 37.058 48.435 1.00 93.86 C
306
+ ATOM 306 CB THR A 40 15.089 36.293 48.131 1.00 92.18 C
307
+ ATOM 307 CG2 THR A 40 16.108 37.193 47.439 1.00 70.81 C
308
+ ATOM 308 N THR A 40 12.763 36.167 48.968 1.00 93.93 N
309
+ ATOM 309 O THR A 40 12.721 37.113 46.286 1.00 93.21 O
310
+ ATOM 310 OG1 THR A 40 15.650 35.809 49.357 1.00 70.46 O
311
+ ATOM 311 C ILE A 41 14.313 40.477 45.362 1.00 94.86 C
312
+ ATOM 312 CA ILE A 41 13.065 39.831 45.959 1.00 94.83 C
313
+ ATOM 313 CB ILE A 41 12.023 40.913 46.324 1.00 94.09 C
314
+ ATOM 314 CD1 ILE A 41 9.894 41.264 47.706 1.00 83.56 C
315
+ ATOM 315 CG1 ILE A 41 10.799 40.271 46.988 1.00 89.82 C
316
+ ATOM 316 CG2 ILE A 41 11.617 41.711 45.082 1.00 89.80 C
317
+ ATOM 317 N ILE A 41 13.432 39.030 47.122 1.00 94.74 N
318
+ ATOM 318 O ILE A 41 15.078 41.136 46.072 1.00 94.48 O
319
+ ATOM 319 C ILE A 42 15.113 41.829 42.302 1.00 94.76 C
320
+ ATOM 320 CA ILE A 42 15.654 40.865 43.356 1.00 95.03 C
321
+ ATOM 321 CB ILE A 42 16.546 39.791 42.694 1.00 94.49 C
322
+ ATOM 322 CD1 ILE A 42 17.756 37.578 43.149 1.00 88.72 C
323
+ ATOM 323 CG1 ILE A 42 17.027 38.778 43.739 1.00 92.56 C
324
+ ATOM 324 CG2 ILE A 42 17.732 40.442 41.976 1.00 92.38 C
325
+ ATOM 325 N ILE A 42 14.546 40.262 44.087 1.00 94.96 N
326
+ ATOM 326 O ILE A 42 14.366 41.423 41.408 1.00 94.07 O
327
+ ATOM 327 C GLU A 43 16.192 44.906 40.880 1.00 94.82 C
328
+ ATOM 328 CA GLU A 43 15.019 44.158 41.505 1.00 94.87 C
329
+ ATOM 329 CB GLU A 43 14.105 45.138 42.246 1.00 93.94 C
330
+ ATOM 330 CD GLU A 43 12.009 45.455 43.646 1.00 84.01 C
331
+ ATOM 331 CG GLU A 43 12.845 44.499 42.810 1.00 87.68 C
332
+ ATOM 332 N GLU A 43 15.481 43.107 42.406 1.00 94.92 N
333
+ ATOM 333 O GLU A 43 17.304 44.880 41.412 1.00 94.33 O
334
+ ATOM 334 OE1 GLU A 43 12.546 46.489 44.104 1.00 80.68 O
335
+ ATOM 335 OE2 GLU A 43 10.807 45.168 43.844 1.00 79.74 O
336
+ ATOM 336 C LYS A 44 16.270 47.649 38.674 1.00 94.68 C
337
+ ATOM 337 CA LYS A 44 16.837 46.311 39.138 1.00 95.13 C
338
+ ATOM 338 CB LYS A 44 17.367 45.523 37.941 1.00 94.29 C
339
+ ATOM 339 CD LYS A 44 18.999 45.371 36.030 1.00 88.85 C
340
+ ATOM 340 CE LYS A 44 20.079 46.097 35.238 1.00 85.02 C
341
+ ATOM 341 CG LYS A 44 18.515 46.204 37.209 1.00 90.91 C
342
+ ATOM 342 N LYS A 44 15.833 45.535 39.859 1.00 95.20 N
343
+ ATOM 343 NZ LYS A 44 20.224 45.539 33.860 1.00 79.83 N
344
+ ATOM 344 O LYS A 44 15.162 47.707 38.134 1.00 93.74 O
345
+ ATOM 345 C ASN A 45 18.031 50.605 37.839 1.00 94.50 C
346
+ ATOM 346 CA ASN A 45 16.762 50.007 38.440 1.00 94.59 C
347
+ ATOM 347 CB ASN A 45 16.214 50.919 39.540 1.00 93.28 C
348
+ ATOM 348 CG ASN A 45 15.756 52.262 39.009 1.00 83.95 C
349
+ ATOM 349 N ASN A 45 16.998 48.664 38.960 1.00 94.64 N
350
+ ATOM 350 ND2 ASN A 45 15.169 53.076 39.879 1.00 74.81 N
351
+ ATOM 351 O ASN A 45 18.969 50.940 38.564 1.00 93.69 O
352
+ ATOM 352 OD1 ASN A 45 15.928 52.568 37.825 1.00 74.99 O
353
+ ATOM 353 C GLY A 46 20.428 50.159 36.138 1.00 93.90 C
354
+ ATOM 354 CA GLY A 46 19.322 51.157 35.851 1.00 93.90 C
355
+ ATOM 355 N GLY A 46 18.051 50.793 36.457 1.00 94.05 N
356
+ ATOM 356 O GLY A 46 20.324 48.987 35.775 1.00 92.56 O
357
+ ATOM 357 C ASP A 47 22.648 49.300 38.471 1.00 94.00 C
358
+ ATOM 358 CA ASP A 47 22.663 49.711 37.000 1.00 93.84 C
359
+ ATOM 359 CB ASP A 47 23.990 50.390 36.656 1.00 91.74 C
360
+ ATOM 360 CG ASP A 47 24.179 51.717 37.370 1.00 80.55 C
361
+ ATOM 361 N ASP A 47 21.541 50.593 36.690 1.00 93.63 N
362
+ ATOM 362 O ASP A 47 23.571 48.632 38.943 1.00 93.13 O
363
+ ATOM 363 OD1 ASP A 47 23.229 52.199 38.024 1.00 71.76 O
364
+ ATOM 364 OD2 ASP A 47 25.287 52.288 37.274 1.00 78.27 O
365
+ ATOM 365 C ILE A 48 20.600 48.095 40.818 1.00 95.44 C
366
+ ATOM 366 CA ILE A 48 21.471 49.330 40.608 1.00 95.39 C
367
+ ATOM 367 CB ILE A 48 20.897 50.531 41.394 1.00 94.58 C
368
+ ATOM 368 CD1 ILE A 48 21.247 53.025 41.866 1.00 80.22 C
369
+ ATOM 369 CG1 ILE A 48 21.801 51.758 41.230 1.00 87.79 C
370
+ ATOM 370 CG2 ILE A 48 20.721 50.174 42.873 1.00 87.38 C
371
+ ATOM 371 N ILE A 48 21.575 49.625 39.183 1.00 95.33 N
372
+ ATOM 372 O ILE A 48 19.455 48.051 40.363 1.00 95.06 O
373
+ ATOM 373 C LEU A 49 20.013 46.049 43.348 1.00 95.83 C
374
+ ATOM 374 CA LEU A 49 20.403 45.941 41.878 1.00 95.90 C
375
+ ATOM 375 CB LEU A 49 21.232 44.676 41.649 1.00 94.87 C
376
+ ATOM 376 CD1 LEU A 49 22.685 43.361 40.085 1.00 71.89 C
377
+ ATOM 377 CD2 LEU A 49 20.228 43.586 39.623 1.00 70.80 C
378
+ ATOM 378 CG LEU A 49 21.466 44.270 40.193 1.00 85.82 C
379
+ ATOM 379 N LEU A 49 21.143 47.122 41.448 1.00 95.88 N
380
+ ATOM 380 O LEU A 49 20.778 46.574 44.161 1.00 95.37 O
381
+ ATOM 381 C THR A 50 17.963 44.171 45.458 1.00 95.43 C
382
+ ATOM 382 CA THR A 50 18.369 45.593 45.085 1.00 95.53 C
383
+ ATOM 383 CB THR A 50 17.174 46.542 45.292 1.00 94.85 C
384
+ ATOM 384 CG2 THR A 50 16.709 46.530 46.744 1.00 89.75 C
385
+ ATOM 385 N THR A 50 18.856 45.648 43.710 1.00 95.55 N
386
+ ATOM 386 O THR A 50 17.224 43.516 44.719 1.00 94.96 O
387
+ ATOM 387 OG1 THR A 50 17.564 47.875 44.938 1.00 88.07 O
388
+ ATOM 388 C LEU A 51 17.441 42.610 48.399 1.00 94.93 C
389
+ ATOM 389 CA LEU A 51 18.165 42.417 47.070 1.00 95.07 C
390
+ ATOM 390 CB LEU A 51 19.419 41.564 47.279 1.00 93.71 C
391
+ ATOM 391 CD1 LEU A 51 20.405 39.262 47.154 1.00 66.71 C
392
+ ATOM 392 CD2 LEU A 51 18.888 39.874 49.058 1.00 66.27 C
393
+ ATOM 393 CG LEU A 51 19.190 40.082 47.577 1.00 81.27 C
394
+ ATOM 394 N LEU A 51 18.513 43.703 46.477 1.00 95.11 N
395
+ ATOM 395 O LEU A 51 18.011 43.153 49.348 1.00 94.14 O
396
+ ATOM 396 C LYS A 52 15.032 40.864 50.157 1.00 94.09 C
397
+ ATOM 397 CA LYS A 52 15.332 42.265 49.629 1.00 94.40 C
398
+ ATOM 398 CB LYS A 52 14.026 43.011 49.355 1.00 93.73 C
399
+ ATOM 399 CD LYS A 52 12.895 45.072 48.455 1.00 88.61 C
400
+ ATOM 400 CE LYS A 52 13.101 46.429 47.794 1.00 84.12 C
401
+ ATOM 401 CG LYS A 52 14.221 44.431 48.845 1.00 90.72 C
402
+ ATOM 402 N LYS A 52 16.153 42.208 48.424 1.00 94.43 N
403
+ ATOM 403 NZ LYS A 52 11.813 47.010 47.309 1.00 77.82 N
404
+ ATOM 404 O LYS A 52 14.695 39.964 49.385 1.00 93.35 O
405
+ ATOM 405 C THR A 53 13.721 39.729 53.077 1.00 92.26 C
406
+ ATOM 406 CA THR A 53 14.810 39.450 52.046 1.00 92.80 C
407
+ ATOM 407 CB THR A 53 16.002 38.755 52.730 1.00 91.30 C
408
+ ATOM 408 CG2 THR A 53 15.571 37.454 53.397 1.00 79.87 C
409
+ ATOM 409 N THR A 53 15.224 40.682 51.384 1.00 93.00 N
410
+ ATOM 410 O THR A 53 13.890 40.582 53.951 1.00 90.70 O
411
+ ATOM 411 OG1 THR A 53 17.007 38.468 51.749 1.00 79.15 O
412
+ ATOM 412 C HIS A 54 11.379 37.810 54.627 1.00 91.39 C
413
+ ATOM 413 CA HIS A 54 11.538 39.118 53.857 1.00 91.96 C
414
+ ATOM 414 CB HIS A 54 10.240 39.455 53.120 1.00 89.84 C
415
+ ATOM 415 CD2 HIS A 54 11.106 41.841 52.587 1.00 67.56 C
416
+ ATOM 416 CE1 HIS A 54 9.586 42.401 51.110 1.00 66.80 C
417
+ ATOM 417 CG HIS A 54 10.259 40.793 52.454 1.00 78.09 C
418
+ ATOM 418 N HIS A 54 12.653 39.045 52.921 1.00 92.20 N
419
+ ATOM 419 ND1 HIS A 54 9.317 41.174 51.522 1.00 65.46 N
420
+ ATOM 420 NE2 HIS A 54 10.666 42.829 51.741 1.00 65.84 N
421
+ ATOM 421 O HIS A 54 11.210 36.748 54.025 1.00 89.77 O
422
+ ATOM 422 C SER A 55 10.734 37.175 58.117 1.00 88.21 C
423
+ ATOM 423 CA SER A 55 11.307 36.791 56.757 1.00 89.00 C
424
+ ATOM 424 CB SER A 55 12.653 36.089 56.942 1.00 87.33 C
425
+ ATOM 425 N SER A 55 11.453 37.959 55.895 1.00 89.55 N
426
+ ATOM 426 O SER A 55 10.667 38.359 58.456 1.00 85.83 O
427
+ ATOM 427 OG SER A 55 13.391 36.686 57.994 1.00 77.92 O
428
+ ATOM 428 C THR A 56 10.989 36.685 61.205 1.00 84.75 C
429
+ ATOM 429 CA THR A 56 9.823 36.391 60.267 1.00 85.81 C
430
+ ATOM 430 CB THR A 56 9.027 35.182 60.795 1.00 83.55 C
431
+ ATOM 431 CG2 THR A 56 7.749 34.972 59.990 1.00 72.86 C
432
+ ATOM 432 N THR A 56 10.300 36.157 58.907 1.00 86.78 N
433
+ ATOM 433 O THR A 56 10.790 37.192 62.311 1.00 81.48 O
434
+ ATOM 434 OG1 THR A 56 9.839 34.005 60.700 1.00 73.74 O
435
+ ATOM 435 C PHE A 57 13.839 37.962 61.480 1.00 81.89 C
436
+ ATOM 436 CA PHE A 57 13.386 36.516 61.636 1.00 82.59 C
437
+ ATOM 437 CB PHE A 57 14.530 35.565 61.272 1.00 81.25 C
438
+ ATOM 438 CD1 PHE A 57 15.820 35.788 63.421 1.00 74.60 C
439
+ ATOM 439 CD2 PHE A 57 16.982 36.114 61.357 1.00 75.09 C
440
+ ATOM 440 CE1 PHE A 57 16.996 36.030 64.127 1.00 74.49 C
441
+ ATOM 441 CE2 PHE A 57 18.161 36.357 62.056 1.00 71.95 C
442
+ ATOM 442 CG PHE A 57 15.803 35.828 62.033 1.00 78.56 C
443
+ ATOM 443 CZ PHE A 57 18.166 36.316 63.440 1.00 72.59 C
444
+ ATOM 444 N PHE A 57 12.214 36.248 60.812 1.00 83.62 N
445
+ ATOM 445 O PHE A 57 13.778 38.744 62.432 1.00 78.11 O
446
+ ATOM 446 C LYS A 58 14.484 40.030 58.530 1.00 88.42 C
447
+ ATOM 447 CA LYS A 58 14.701 39.698 60.004 1.00 87.75 C
448
+ ATOM 448 CB LYS A 58 16.186 39.813 60.354 1.00 85.50 C
449
+ ATOM 449 CD LYS A 58 18.095 41.338 60.960 1.00 75.51 C
450
+ ATOM 450 CE LYS A 58 18.611 42.770 60.956 1.00 70.21 C
451
+ ATOM 451 CG LYS A 58 16.726 41.234 60.298 1.00 77.94 C
452
+ ATOM 452 N LYS A 58 14.201 38.364 60.321 1.00 87.47 N
453
+ ATOM 453 NZ LYS A 58 19.883 42.902 61.728 1.00 64.31 N
454
+ ATOM 454 O LYS A 58 14.609 39.159 57.667 1.00 87.41 O
455
+ ATOM 455 C ASN A 59 15.412 42.589 56.628 1.00 90.21 C
456
+ ATOM 456 CA ASN A 59 14.120 41.851 56.966 1.00 90.67 C
457
+ ATOM 457 CB ASN A 59 12.916 42.777 56.777 1.00 88.93 C
458
+ ATOM 458 CG ASN A 59 11.592 42.053 56.935 1.00 84.01 C
459
+ ATOM 459 N ASN A 59 14.146 41.316 58.323 1.00 90.16 N
460
+ ATOM 460 ND2 ASN A 59 10.552 42.793 57.301 1.00 81.10 N
461
+ ATOM 461 O ASN A 59 15.911 43.376 57.434 1.00 88.75 O
462
+ ATOM 462 OD1 ASN A 59 11.506 40.839 56.730 1.00 81.15 O
463
+ ATOM 463 C THR A 60 16.967 43.452 53.592 1.00 92.27 C
464
+ ATOM 464 CA THR A 60 17.172 42.913 55.006 1.00 91.76 C
465
+ ATOM 465 CB THR A 60 18.396 41.978 55.028 1.00 90.14 C
466
+ ATOM 466 CG2 THR A 60 18.586 41.355 56.408 1.00 81.14 C
467
+ ATOM 467 N THR A 60 15.974 42.228 55.477 1.00 91.42 N
468
+ ATOM 468 O THR A 60 16.119 42.953 52.849 1.00 91.68 O
469
+ ATOM 469 OG1 THR A 60 18.209 40.933 54.067 1.00 79.24 O
470
+ ATOM 470 C GLU A 61 19.060 45.746 51.670 1.00 93.67 C
471
+ ATOM 471 CA GLU A 61 17.688 45.155 51.986 1.00 93.89 C
472
+ ATOM 472 CB GLU A 61 16.611 46.235 51.868 1.00 92.71 C
473
+ ATOM 473 CD GLU A 61 15.400 47.879 50.353 1.00 85.65 C
474
+ ATOM 474 CG GLU A 61 16.567 46.915 50.506 1.00 88.03 C
475
+ ATOM 475 N GLU A 61 17.667 44.551 53.314 1.00 93.63 N
476
+ ATOM 476 O GLU A 61 19.596 46.534 52.451 1.00 92.93 O
477
+ ATOM 477 OE1 GLU A 61 14.430 47.786 51.140 1.00 84.36 O
478
+ ATOM 478 OE2 GLU A 61 15.456 48.731 49.440 1.00 84.10 O
479
+ ATOM 479 C ILE A 62 20.676 46.348 48.658 1.00 94.81 C
480
+ ATOM 480 CA ILE A 62 20.812 45.891 50.108 1.00 94.67 C
481
+ ATOM 481 CB ILE A 62 21.985 44.895 50.248 1.00 93.86 C
482
+ ATOM 482 CD1 ILE A 62 22.873 42.650 49.389 1.00 83.43 C
483
+ ATOM 483 CG1 ILE A 62 21.699 43.619 49.448 1.00 88.84 C
484
+ ATOM 484 CG2 ILE A 62 22.246 44.571 51.722 1.00 88.65 C
485
+ ATOM 485 N ILE A 62 19.556 45.304 50.561 1.00 94.55 N
486
+ ATOM 486 O ILE A 62 19.959 45.726 47.869 1.00 94.34 O
487
+ ATOM 487 C SER A 63 22.823 48.200 46.569 1.00 95.34 C
488
+ ATOM 488 CA SER A 63 21.366 48.032 46.990 1.00 95.45 C
489
+ ATOM 489 CB SER A 63 20.638 49.373 46.879 1.00 94.45 C
490
+ ATOM 490 N SER A 63 21.265 47.505 48.346 1.00 95.36 N
491
+ ATOM 491 O SER A 63 23.640 48.716 47.334 1.00 94.85 O
492
+ ATOM 492 OG SER A 63 19.259 49.221 47.175 1.00 81.84 O
493
+ ATOM 493 C PHE A 64 24.607 47.797 43.466 1.00 95.21 C
494
+ ATOM 494 CA PHE A 64 24.494 47.739 44.985 1.00 95.38 C
495
+ ATOM 495 CB PHE A 64 25.206 46.492 45.517 1.00 95.14 C
496
+ ATOM 496 CD1 PHE A 64 23.566 44.607 45.818 1.00 93.03 C
497
+ ATOM 497 CD2 PHE A 64 25.002 44.573 43.906 1.00 92.93 C
498
+ ATOM 498 CE1 PHE A 64 22.984 43.410 45.407 1.00 92.13 C
499
+ ATOM 499 CE2 PHE A 64 24.425 43.376 43.490 1.00 92.21 C
500
+ ATOM 500 CG PHE A 64 24.579 45.198 45.071 1.00 94.54 C
501
+ ATOM 501 CZ PHE A 64 23.416 42.796 44.242 1.00 91.53 C
502
+ ATOM 502 N PHE A 64 23.096 47.748 45.401 1.00 95.19 N
503
+ ATOM 503 O PHE A 64 23.641 47.515 42.754 1.00 94.69 O
504
+ ATOM 504 C LYS A 65 27.131 46.858 41.504 1.00 95.90 C
505
+ ATOM 505 CA LYS A 65 26.130 48.003 41.630 1.00 95.93 C
506
+ ATOM 506 CB LYS A 65 26.749 49.301 41.109 1.00 95.14 C
507
+ ATOM 507 CD LYS A 65 26.424 51.700 40.421 1.00 83.19 C
508
+ ATOM 508 CE LYS A 65 25.461 52.880 40.384 1.00 76.41 C
509
+ ATOM 509 CG LYS A 65 25.765 50.456 41.005 1.00 88.21 C
510
+ ATOM 510 N LYS A 65 25.689 48.165 43.013 1.00 95.92 N
511
+ ATOM 511 NZ LYS A 65 26.111 54.108 39.839 1.00 68.22 N
512
+ ATOM 512 O LYS A 65 28.037 46.725 42.328 1.00 95.56 O
513
+ ATOM 513 C LEU A 66 29.339 45.502 40.166 1.00 95.16 C
514
+ ATOM 514 CA LEU A 66 27.899 45.009 40.246 1.00 95.32 C
515
+ ATOM 515 CB LEU A 66 27.539 44.241 38.972 1.00 94.70 C
516
+ ATOM 516 CD1 LEU A 66 25.913 42.892 37.620 1.00 87.89 C
517
+ ATOM 517 CD2 LEU A 66 26.317 42.320 40.030 1.00 87.66 C
518
+ ATOM 518 CG LEU A 66 26.232 43.446 39.004 1.00 92.52 C
519
+ ATOM 519 N LEU A 66 26.978 46.122 40.448 1.00 95.23 N
520
+ ATOM 520 O LEU A 66 29.621 46.508 39.512 1.00 94.62 O
521
+ ATOM 521 C GLY A 67 32.097 46.250 41.743 1.00 94.98 C
522
+ ATOM 522 CA GLY A 67 31.653 45.109 40.848 1.00 95.20 C
523
+ ATOM 523 N GLY A 67 30.225 44.844 40.923 1.00 95.25 N
524
+ ATOM 524 O GLY A 67 33.277 46.606 41.766 1.00 94.28 O
525
+ ATOM 525 C VAL A 68 31.347 47.628 44.726 1.00 96.06 C
526
+ ATOM 526 CA VAL A 68 31.471 48.049 43.264 1.00 95.99 C
527
+ ATOM 527 CB VAL A 68 30.550 49.256 42.977 1.00 95.48 C
528
+ ATOM 528 CG1 VAL A 68 30.845 50.403 43.941 1.00 91.78 C
529
+ ATOM 529 CG2 VAL A 68 30.712 49.717 41.528 1.00 91.38 C
530
+ ATOM 530 N VAL A 68 31.160 46.918 42.396 1.00 95.95 N
531
+ ATOM 531 O VAL A 68 30.324 47.071 45.133 1.00 95.81 O
532
+ ATOM 532 C GLU A 69 31.378 48.422 47.629 1.00 95.76 C
533
+ ATOM 533 CA GLU A 69 32.361 47.540 46.864 1.00 95.81 C
534
+ ATOM 534 CB GLU A 69 33.767 47.693 47.447 1.00 94.81 C
535
+ ATOM 535 CD GLU A 69 35.313 47.306 49.425 1.00 79.43 C
536
+ ATOM 536 CG GLU A 69 33.906 47.164 48.866 1.00 84.70 C
537
+ ATOM 537 N GLU A 69 32.358 47.860 45.439 1.00 95.72 N
538
+ ATOM 538 O GLU A 69 31.212 49.600 47.307 1.00 95.39 O
539
+ ATOM 539 OE1 GLU A 69 36.112 46.348 49.308 1.00 77.62 O
540
+ ATOM 540 OE2 GLU A 69 35.619 48.381 49.986 1.00 77.35 O
541
+ ATOM 541 C PHE A 70 29.792 48.033 50.916 1.00 95.76 C
542
+ ATOM 542 CA PHE A 70 29.832 48.606 49.504 1.00 95.86 C
543
+ ATOM 543 CB PHE A 70 28.431 48.575 48.885 1.00 95.56 C
544
+ ATOM 544 CD1 PHE A 70 28.228 46.385 47.663 1.00 93.39 C
545
+ ATOM 545 CD2 PHE A 70 26.966 46.689 49.671 1.00 93.23 C
546
+ ATOM 546 CE1 PHE A 70 27.705 45.102 47.522 1.00 92.44 C
547
+ ATOM 547 CE2 PHE A 70 26.439 45.408 49.537 1.00 92.20 C
548
+ ATOM 548 CG PHE A 70 27.864 47.188 48.736 1.00 94.86 C
549
+ ATOM 549 CZ PHE A 70 26.808 44.616 48.462 1.00 91.53 C
550
+ ATOM 550 N PHE A 70 30.777 47.869 48.673 1.00 95.71 N
551
+ ATOM 551 O PHE A 70 30.193 46.889 51.140 1.00 95.38 O
552
+ ATOM 552 C ASP A 71 27.795 47.691 53.361 1.00 95.08 C
553
+ ATOM 553 CA ASP A 71 29.151 48.375 53.202 1.00 95.38 C
554
+ ATOM 554 CB ASP A 71 29.251 49.571 54.152 1.00 94.53 C
555
+ ATOM 555 CG ASP A 71 30.644 50.175 54.201 1.00 90.37 C
556
+ ATOM 556 N ASP A 71 29.367 48.799 51.822 1.00 95.38 N
557
+ ATOM 557 O ASP A 71 26.786 48.173 52.842 1.00 94.37 O
558
+ ATOM 558 OD1 ASP A 71 31.629 49.423 54.367 1.00 85.63 O
559
+ ATOM 559 OD2 ASP A 71 30.757 51.413 54.076 1.00 85.59 O
560
+ ATOM 560 C GLU A 72 26.540 45.368 55.827 1.00 94.08 C
561
+ ATOM 561 CA GLU A 72 26.638 45.818 54.371 1.00 94.61 C
562
+ ATOM 562 CB GLU A 72 26.614 44.602 53.443 1.00 93.74 C
563
+ ATOM 563 CD GLU A 72 25.465 42.426 52.806 1.00 86.85 C
564
+ ATOM 564 CG GLU A 72 25.434 43.670 53.681 1.00 89.95 C
565
+ ATOM 565 N GLU A 72 27.841 46.613 54.144 1.00 94.71 N
566
+ ATOM 566 O GLU A 72 27.554 45.056 56.454 1.00 93.01 O
567
+ ATOM 567 OE1 GLU A 72 26.387 42.296 51.970 1.00 85.62 O
568
+ ATOM 568 OE2 GLU A 72 24.561 41.576 52.959 1.00 85.84 O
569
+ ATOM 569 C THR A 73 24.268 43.479 57.355 1.00 92.78 C
570
+ ATOM 570 CA THR A 73 25.041 44.769 57.609 1.00 93.07 C
571
+ ATOM 571 CB THR A 73 24.217 45.692 58.528 1.00 92.06 C
572
+ ATOM 572 CG2 THR A 73 23.962 45.036 59.881 1.00 88.18 C
573
+ ATOM 573 N THR A 73 25.370 45.432 56.352 1.00 93.21 N
574
+ ATOM 574 O THR A 73 23.206 43.498 56.729 1.00 91.75 O
575
+ ATOM 575 OG1 THR A 73 24.933 46.917 58.730 1.00 88.48 O
576
+ ATOM 576 C THR A 74 23.010 40.821 58.412 1.00 90.50 C
577
+ ATOM 577 CA THR A 74 24.217 41.078 57.514 1.00 91.39 C
578
+ ATOM 578 CB THR A 74 25.253 39.956 57.710 1.00 90.81 C
579
+ ATOM 579 CG2 THR A 74 26.480 40.181 56.831 1.00 89.32 C
580
+ ATOM 580 N THR A 74 24.797 42.388 57.789 1.00 91.41 N
581
+ ATOM 581 O THR A 74 22.767 41.569 59.362 1.00 88.94 O
582
+ ATOM 582 OG1 THR A 74 25.662 39.924 59.082 1.00 90.35 O
583
+ ATOM 583 C ALA A 75 21.429 39.211 60.364 1.00 85.84 C
584
+ ATOM 584 CA ALA A 75 21.091 39.430 58.893 1.00 86.81 C
585
+ ATOM 585 CB ALA A 75 20.435 38.181 58.308 1.00 85.57 C
586
+ ATOM 586 N ALA A 75 22.283 39.785 58.127 1.00 87.39 N
587
+ ATOM 587 O ALA A 75 20.604 39.472 61.243 1.00 83.12 O
588
+ ATOM 588 C ASP A 76 23.828 39.754 62.612 1.00 86.94 C
589
+ ATOM 589 CA ASP A 76 23.052 38.557 62.069 1.00 86.82 C
590
+ ATOM 590 CB ASP A 76 23.894 37.285 62.187 1.00 85.34 C
591
+ ATOM 591 CG ASP A 76 25.215 37.378 61.444 1.00 83.17 C
592
+ ATOM 592 N ASP A 76 22.649 38.778 60.682 1.00 86.97 N
593
+ ATOM 593 O ASP A 76 24.542 39.636 63.610 1.00 85.16 O
594
+ ATOM 594 OD1 ASP A 76 25.364 38.262 60.573 1.00 81.63 O
595
+ ATOM 595 OD2 ASP A 76 26.113 36.557 61.730 1.00 80.93 O
596
+ ATOM 596 C ASP A 77 25.721 42.362 62.301 1.00 89.94 C
597
+ ATOM 597 CA ASP A 77 24.214 42.164 62.442 1.00 89.82 C
598
+ ATOM 598 CB ASP A 77 23.789 42.379 63.896 1.00 87.94 C
599
+ ATOM 599 CG ASP A 77 22.291 42.568 64.055 1.00 83.52 C
600
+ ATOM 600 N ASP A 77 23.813 40.838 61.982 1.00 89.56 N
601
+ ATOM 601 O ASP A 77 26.284 43.306 62.859 1.00 88.60 O
602
+ ATOM 602 OD1 ASP A 77 21.638 43.076 63.118 1.00 80.30 O
603
+ ATOM 603 OD2 ASP A 77 21.759 42.209 65.128 1.00 82.11 O
604
+ ATOM 604 C ARG A 78 27.892 43.038 60.230 1.00 91.55 C
605
+ ATOM 605 CA ARG A 78 27.746 41.848 61.172 1.00 91.33 C
606
+ ATOM 606 CB ARG A 78 28.434 40.619 60.575 1.00 90.37 C
607
+ ATOM 607 CD ARG A 78 29.208 38.242 60.889 1.00 86.46 C
608
+ ATOM 608 CG ARG A 78 28.598 39.468 61.555 1.00 87.64 C
609
+ ATOM 609 CZ ARG A 78 28.638 37.502 58.599 1.00 81.56 C
610
+ ATOM 610 N ARG A 78 26.340 41.566 61.446 1.00 91.02 N
611
+ ATOM 611 NE ARG A 78 28.318 37.678 59.878 1.00 83.78 N
612
+ ATOM 612 NH1 ARG A 78 29.838 37.845 58.147 1.00 79.67 N
613
+ ATOM 613 NH2 ARG A 78 27.749 36.980 57.766 1.00 78.70 N
614
+ ATOM 614 O ARG A 78 27.072 43.228 59.329 1.00 91.08 O
615
+ ATOM 615 C LYS A 79 30.364 44.371 58.589 1.00 93.74 C
616
+ ATOM 616 CA LYS A 79 29.274 44.883 59.526 1.00 93.93 C
617
+ ATOM 617 CB LYS A 79 29.759 46.135 60.260 1.00 92.24 C
618
+ ATOM 618 CD LYS A 79 27.559 47.338 60.481 1.00 77.19 C
619
+ ATOM 619 CE LYS A 79 26.649 48.115 61.421 1.00 69.85 C
620
+ ATOM 620 CG LYS A 79 28.738 46.721 61.223 1.00 82.28 C
621
+ ATOM 621 N LYS A 79 28.875 43.852 60.480 1.00 93.89 N
622
+ ATOM 622 NZ LYS A 79 25.434 48.628 60.721 1.00 61.82 N
623
+ ATOM 623 O LYS A 79 31.463 44.031 59.033 1.00 92.77 O
624
+ ATOM 624 C VAL A 80 31.195 44.570 55.191 1.00 94.96 C
625
+ ATOM 625 CA VAL A 80 30.973 43.642 56.384 1.00 94.89 C
626
+ ATOM 626 CB VAL A 80 30.480 42.260 55.899 1.00 93.90 C
627
+ ATOM 627 CG1 VAL A 80 30.101 41.376 57.087 1.00 85.40 C
628
+ ATOM 628 CG2 VAL A 80 29.295 42.421 54.949 1.00 86.25 C
629
+ ATOM 629 N VAL A 80 30.030 44.253 57.316 1.00 94.68 N
630
+ ATOM 630 O VAL A 80 30.374 45.450 54.920 1.00 94.53 O
631
+ ATOM 631 C LYS A 81 32.161 43.910 52.080 1.00 95.96 C
632
+ ATOM 632 CA LYS A 81 32.565 44.931 53.141 1.00 95.89 C
633
+ ATOM 633 CB LYS A 81 34.031 45.324 52.957 1.00 94.98 C
634
+ ATOM 634 CD LYS A 81 33.852 47.804 53.357 1.00 79.18 C
635
+ ATOM 635 CE LYS A 81 34.448 48.999 54.088 1.00 70.82 C
636
+ ATOM 636 CG LYS A 81 34.471 46.494 53.826 1.00 85.28 C
637
+ ATOM 637 N LYS A 81 32.339 44.408 54.486 1.00 95.91 N
638
+ ATOM 638 NZ LYS A 81 33.761 50.273 53.719 1.00 63.12 N
639
+ ATOM 639 O LYS A 81 32.596 42.757 52.123 1.00 95.67 O
640
+ ATOM 640 C SER A 82 31.061 43.899 48.817 1.00 95.99 C
641
+ ATOM 641 CA SER A 82 30.797 43.465 50.255 1.00 96.06 C
642
+ ATOM 642 CB SER A 82 29.292 43.324 50.485 1.00 95.56 C
643
+ ATOM 643 N SER A 82 31.374 44.408 51.207 1.00 95.98 N
644
+ ATOM 644 O SER A 82 31.208 45.092 48.540 1.00 95.65 O
645
+ ATOM 645 OG SER A 82 29.031 42.615 51.684 1.00 88.24 O
646
+ ATOM 646 C ILE A 83 30.388 42.039 45.821 1.00 96.17 C
647
+ ATOM 647 CA ILE A 83 31.152 43.177 46.497 1.00 96.24 C
648
+ ATOM 648 CB ILE A 83 32.587 43.269 45.933 1.00 95.76 C
649
+ ATOM 649 CD1 ILE A 83 33.894 44.219 43.945 1.00 84.24 C
650
+ ATOM 650 CG1 ILE A 83 32.557 43.707 44.464 1.00 90.94 C
651
+ ATOM 651 CG2 ILE A 83 33.315 41.931 46.091 1.00 90.30 C
652
+ ATOM 652 N ILE A 83 31.156 42.977 47.942 1.00 96.23 N
653
+ ATOM 653 O ILE A 83 30.524 40.876 46.210 1.00 95.85 O
654
+ ATOM 654 C VAL A 84 29.255 41.477 42.638 1.00 95.56 C
655
+ ATOM 655 CA VAL A 84 28.828 41.401 44.102 1.00 95.84 C
656
+ ATOM 656 CB VAL A 84 27.303 41.620 44.226 1.00 95.46 C
657
+ ATOM 657 CG1 VAL A 84 26.539 40.538 43.463 1.00 94.00 C
658
+ ATOM 658 CG2 VAL A 84 26.885 41.639 45.694 1.00 93.87 C
659
+ ATOM 659 N VAL A 84 29.574 42.380 44.887 1.00 95.83 N
660
+ ATOM 660 O VAL A 84 29.271 42.559 42.046 1.00 94.96 O
661
+ ATOM 661 C THR A 85 29.181 39.292 39.897 1.00 95.30 C
662
+ ATOM 662 CA THR A 85 29.998 40.338 40.647 1.00 95.51 C
663
+ ATOM 663 CB THR A 85 31.497 40.003 40.532 1.00 94.84 C
664
+ ATOM 664 CG2 THR A 85 32.354 41.085 41.180 1.00 89.24 C
665
+ ATOM 665 N THR A 85 29.580 40.419 42.042 1.00 95.57 N
666
+ ATOM 666 O THR A 85 28.542 38.436 40.513 1.00 94.75 O
667
+ ATOM 667 OG1 THR A 85 31.751 38.753 41.184 1.00 88.30 O
668
+ ATOM 668 C LEU A 86 29.675 37.686 37.080 1.00 93.51 C
669
+ ATOM 669 CA LEU A 86 28.566 38.482 37.758 1.00 94.33 C
670
+ ATOM 670 CB LEU A 86 27.666 39.127 36.700 1.00 93.20 C
671
+ ATOM 671 CD1 LEU A 86 25.695 37.578 36.638 1.00 82.62 C
672
+ ATOM 672 CD2 LEU A 86 26.325 38.887 34.592 1.00 81.84 C
673
+ ATOM 673 CG LEU A 86 26.847 38.170 35.832 1.00 89.03 C
674
+ ATOM 674 N LEU A 86 29.122 39.498 38.644 1.00 94.55 N
675
+ ATOM 675 O LEU A 86 30.489 38.249 36.344 1.00 91.97 O
676
+ ATOM 676 C ASP A 87 30.213 34.265 36.383 1.00 92.78 C
677
+ ATOM 677 CA ASP A 87 30.800 35.548 36.967 1.00 92.92 C
678
+ ATOM 678 CB ASP A 87 31.801 35.211 38.074 1.00 90.98 C
679
+ ATOM 679 CG ASP A 87 33.003 34.433 37.570 1.00 80.47 C
680
+ ATOM 680 N ASP A 87 29.748 36.422 37.477 1.00 93.23 N
681
+ ATOM 681 O ASP A 87 29.626 33.458 37.107 1.00 91.54 O
682
+ ATOM 682 OD1 ASP A 87 33.157 34.279 36.340 1.00 73.25 O
683
+ ATOM 683 OD2 ASP A 87 33.802 33.967 38.412 1.00 76.66 O
684
+ ATOM 684 C GLY A 88 28.374 32.689 34.568 1.00 90.94 C
685
+ ATOM 685 CA GLY A 88 29.860 32.897 34.346 1.00 91.42 C
686
+ ATOM 686 N GLY A 88 30.369 34.105 34.977 1.00 91.92 N
687
+ ATOM 687 O GLY A 88 27.927 31.564 34.801 1.00 88.73 O
688
+ ATOM 688 C GLY A 89 25.758 33.473 36.264 1.00 92.50 C
689
+ ATOM 689 CA GLY A 89 26.179 33.629 34.815 1.00 92.24 C
690
+ ATOM 690 N GLY A 89 27.620 33.732 34.646 1.00 92.04 N
691
+ ATOM 691 O GLY A 89 24.592 33.194 36.550 1.00 91.20 O
692
+ ATOM 692 C LYS A 90 26.645 34.804 39.338 1.00 95.15 C
693
+ ATOM 693 CA LYS A 90 26.440 33.458 38.650 1.00 95.20 C
694
+ ATOM 694 CB LYS A 90 27.347 32.402 39.282 1.00 94.36 C
695
+ ATOM 695 CD LYS A 90 28.211 30.037 39.269 1.00 86.84 C
696
+ ATOM 696 CE LYS A 90 28.174 28.688 38.563 1.00 83.56 C
697
+ ATOM 697 CG LYS A 90 27.249 31.031 38.630 1.00 89.77 C
698
+ ATOM 698 N LYS A 90 26.689 33.557 37.215 1.00 94.97 N
699
+ ATOM 699 NZ LYS A 90 29.001 27.668 39.275 1.00 77.97 N
700
+ ATOM 700 O LYS A 90 27.583 35.535 39.015 1.00 94.75 O
701
+ ATOM 701 C LEU A 91 26.831 35.824 42.274 1.00 95.51 C
702
+ ATOM 702 CA LEU A 91 25.975 36.257 41.089 1.00 95.51 C
703
+ ATOM 703 CB LEU A 91 24.655 36.851 41.588 1.00 94.64 C
704
+ ATOM 704 CD1 LEU A 91 22.445 37.947 41.140 1.00 77.33 C
705
+ ATOM 705 CD2 LEU A 91 24.519 38.802 40.016 1.00 76.55 C
706
+ ATOM 706 CG LEU A 91 23.797 37.567 40.544 1.00 88.27 C
707
+ ATOM 707 N LEU A 91 25.723 35.134 40.192 1.00 95.43 N
708
+ ATOM 708 O LEU A 91 26.423 34.964 43.059 1.00 95.06 O
709
+ ATOM 709 C VAL A 92 29.051 37.204 44.367 1.00 96.00 C
710
+ ATOM 710 CA VAL A 92 28.958 36.045 43.378 1.00 96.09 C
711
+ ATOM 711 CB VAL A 92 30.359 35.712 42.814 1.00 95.62 C
712
+ ATOM 712 CG1 VAL A 92 31.321 35.341 43.941 1.00 93.38 C
713
+ ATOM 713 CG2 VAL A 92 30.267 34.580 41.792 1.00 93.24 C
714
+ ATOM 714 N VAL A 92 28.018 36.377 42.314 1.00 96.07 N
715
+ ATOM 715 O VAL A 92 29.524 38.288 44.019 1.00 95.65 O
716
+ ATOM 716 C HIS A 93 29.607 37.589 47.637 1.00 95.50 C
717
+ ATOM 717 CA HIS A 93 28.517 37.918 46.622 1.00 95.67 C
718
+ ATOM 718 CB HIS A 93 27.148 37.921 47.305 1.00 95.17 C
719
+ ATOM 719 CD2 HIS A 93 27.959 39.706 49.001 1.00 86.98 C
720
+ ATOM 720 CE1 HIS A 93 26.029 40.135 49.950 1.00 88.17 C
721
+ ATOM 721 CG HIS A 93 27.027 38.926 48.405 1.00 92.95 C
722
+ ATOM 722 N HIS A 93 28.532 36.975 45.510 1.00 95.52 N
723
+ ATOM 723 ND1 HIS A 93 25.829 39.216 49.019 1.00 86.07 N
724
+ ATOM 724 NE2 HIS A 93 27.313 40.450 49.959 1.00 88.82 N
725
+ ATOM 725 O HIS A 93 29.502 36.602 48.370 1.00 94.93 O
726
+ ATOM 726 C LEU A 94 31.533 39.225 49.815 1.00 96.08 C
727
+ ATOM 727 CA LEU A 94 31.717 38.259 48.650 1.00 96.17 C
728
+ ATOM 728 CB LEU A 94 33.079 38.489 47.990 1.00 95.24 C
729
+ ATOM 729 CD1 LEU A 94 34.420 36.748 49.201 1.00 64.24 C
730
+ ATOM 730 CD2 LEU A 94 35.572 38.725 48.170 1.00 63.80 C
731
+ ATOM 731 CG LEU A 94 34.307 38.232 48.865 1.00 81.40 C
732
+ ATOM 732 N LEU A 94 30.644 38.411 47.673 1.00 96.21 N
733
+ ATOM 733 O LEU A 94 31.339 40.425 49.607 1.00 95.66 O
734
+ ATOM 734 C GLN A 95 32.854 39.326 53.096 1.00 95.34 C
735
+ ATOM 735 CA GLN A 95 31.587 39.511 52.266 1.00 95.80 C
736
+ ATOM 736 CB GLN A 95 30.357 39.133 53.093 1.00 95.22 C
737
+ ATOM 737 CD GLN A 95 27.840 38.870 53.166 1.00 90.16 C
738
+ ATOM 738 CG GLN A 95 29.037 39.350 52.366 1.00 92.80 C
739
+ ATOM 739 N GLN A 95 31.642 38.722 51.040 1.00 95.71 N
740
+ ATOM 740 NE2 GLN A 95 26.724 39.580 53.045 1.00 90.17 N
741
+ ATOM 741 O GLN A 95 33.250 38.197 53.390 1.00 94.51 O
742
+ ATOM 742 OE1 GLN A 95 27.919 37.870 53.886 1.00 89.32 O
743
+ ATOM 743 C LYS A 96 34.511 41.182 55.600 1.00 95.48 C
744
+ ATOM 744 CA LYS A 96 34.635 40.353 54.325 1.00 95.74 C
745
+ ATOM 745 CB LYS A 96 35.824 40.840 53.496 1.00 94.94 C
746
+ ATOM 746 CD LYS A 96 37.358 40.476 51.534 1.00 86.09 C
747
+ ATOM 747 CE LYS A 96 37.695 39.582 50.347 1.00 79.90 C
748
+ ATOM 748 CG LYS A 96 36.144 39.962 52.296 1.00 89.52 C
749
+ ATOM 749 N LYS A 96 33.406 40.411 53.539 1.00 95.79 N
750
+ ATOM 750 NZ LYS A 96 38.854 40.111 49.567 1.00 72.93 N
751
+ ATOM 751 O LYS A 96 34.010 42.308 55.568 1.00 94.86 O
752
+ ATOM 752 C TRP A 97 36.082 40.713 58.809 1.00 92.66 C
753
+ ATOM 753 CA TRP A 97 34.977 41.268 57.917 1.00 94.12 C
754
+ ATOM 754 CB TRP A 97 33.628 41.179 58.638 1.00 93.27 C
755
+ ATOM 755 CD1 TRP A 97 33.459 39.307 60.385 1.00 85.73 C
756
+ ATOM 756 CD2 TRP A 97 32.718 38.742 58.350 1.00 86.58 C
757
+ ATOM 757 CE2 TRP A 97 32.571 37.630 59.209 1.00 88.45 C
758
+ ATOM 758 CE3 TRP A 97 32.315 38.624 57.012 1.00 86.19 C
759
+ ATOM 759 CG TRP A 97 33.287 39.803 59.123 1.00 90.46 C
760
+ ATOM 760 CH2 TRP A 97 31.654 36.325 57.460 1.00 85.34 C
761
+ ATOM 761 CZ2 TRP A 97 32.038 36.414 58.773 1.00 86.59 C
762
+ ATOM 762 CZ3 TRP A 97 31.786 37.413 56.581 1.00 85.83 C
763
+ ATOM 763 N TRP A 97 34.926 40.554 56.645 1.00 93.40 N
764
+ ATOM 764 NE1 TRP A 97 33.031 38.000 60.444 1.00 87.64 N
765
+ ATOM 765 O TRP A 97 36.273 39.497 58.886 1.00 90.71 O
766
+ ATOM 766 C ASP A 98 38.532 39.980 60.221 1.00 90.63 C
767
+ ATOM 767 CA ASP A 98 37.695 41.191 60.626 1.00 90.69 C
768
+ ATOM 768 CB ASP A 98 36.886 40.874 61.886 1.00 88.39 C
769
+ ATOM 769 CG ASP A 98 36.237 42.102 62.498 1.00 80.12 C
770
+ ATOM 770 N ASP A 98 36.810 41.603 59.541 1.00 91.44 N
771
+ ATOM 771 O ASP A 98 38.619 39.001 60.966 1.00 88.01 O
772
+ ATOM 772 OD1 ASP A 98 36.720 43.229 62.262 1.00 70.52 O
773
+ ATOM 773 OD2 ASP A 98 35.233 41.940 63.227 1.00 73.76 O
774
+ ATOM 774 C GLY A 99 39.126 37.569 58.181 1.00 90.82 C
775
+ ATOM 775 CA GLY A 99 39.876 38.814 58.616 1.00 90.62 C
776
+ ATOM 776 N GLY A 99 38.997 39.890 59.047 1.00 90.62 N
777
+ ATOM 777 O GLY A 99 39.740 36.551 57.855 1.00 89.25 O
778
+ ATOM 778 C GLN A 100 36.205 36.839 56.531 1.00 93.48 C
779
+ ATOM 779 CA GLN A 100 36.910 36.463 57.831 1.00 93.58 C
780
+ ATOM 780 CB GLN A 100 35.878 36.107 58.903 1.00 92.30 C
781
+ ATOM 781 CD GLN A 100 35.473 35.022 61.155 1.00 82.56 C
782
+ ATOM 782 CG GLN A 100 36.492 35.643 60.217 1.00 86.11 C
783
+ ATOM 783 N GLN A 100 37.773 37.545 58.292 1.00 93.34 N
784
+ ATOM 784 NE2 GLN A 100 35.283 35.638 62.316 1.00 81.24 N
785
+ ATOM 785 O GLN A 100 36.118 38.019 56.183 1.00 92.70 O
786
+ ATOM 786 OE1 GLN A 100 34.862 33.997 60.836 1.00 82.65 O
787
+ ATOM 787 C GLU A 101 33.995 35.020 54.426 1.00 95.01 C
788
+ ATOM 788 CA GLU A 101 35.047 36.102 54.647 1.00 94.94 C
789
+ ATOM 789 CB GLU A 101 35.984 36.180 53.439 1.00 93.45 C
790
+ ATOM 790 CD GLU A 101 37.510 34.926 51.842 1.00 81.81 C
791
+ ATOM 791 CG GLU A 101 36.682 34.867 53.115 1.00 84.73 C
792
+ ATOM 792 N GLU A 101 35.806 35.858 55.870 1.00 94.85 N
793
+ ATOM 793 O GLU A 101 34.144 33.893 54.906 1.00 94.48 O
794
+ ATOM 794 OE1 GLU A 101 38.166 35.962 51.591 1.00 79.89 O
795
+ ATOM 795 OE2 GLU A 101 37.501 33.927 51.088 1.00 79.83 O
796
+ ATOM 796 C THR A 102 31.657 34.673 51.825 1.00 95.44 C
797
+ ATOM 797 CA THR A 102 31.969 34.409 53.295 1.00 95.38 C
798
+ ATOM 798 CB THR A 102 30.672 34.495 54.121 1.00 94.17 C
799
+ ATOM 799 CG2 THR A 102 30.934 34.178 55.591 1.00 75.28 C
800
+ ATOM 800 N THR A 102 32.973 35.347 53.787 1.00 95.36 N
801
+ ATOM 801 O THR A 102 31.807 35.799 51.346 1.00 94.98 O
802
+ ATOM 802 OG1 THR A 102 30.133 35.817 54.018 1.00 73.40 O
803
+ ATOM 803 C THR A 103 29.470 33.226 49.561 1.00 95.77 C
804
+ ATOM 804 CA THR A 103 30.904 33.721 49.728 1.00 95.74 C
805
+ ATOM 805 CB THR A 103 31.837 32.919 48.803 1.00 94.60 C
806
+ ATOM 806 CG2 THR A 103 31.424 33.064 47.343 1.00 73.84 C
807
+ ATOM 807 N THR A 103 31.326 33.623 51.121 1.00 95.73 N
808
+ ATOM 808 O THR A 103 29.125 32.139 50.027 1.00 95.40 O
809
+ ATOM 809 OG1 THR A 103 33.180 33.396 48.958 1.00 67.64 O
810
+ ATOM 810 C LEU A 104 27.110 33.645 47.095 1.00 95.73 C
811
+ ATOM 811 CA LEU A 104 27.279 33.678 48.611 1.00 95.78 C
812
+ ATOM 812 CB LEU A 104 26.313 34.695 49.222 1.00 95.25 C
813
+ ATOM 813 CD1 LEU A 104 27.447 35.321 51.368 1.00 87.86 C
814
+ ATOM 814 CD2 LEU A 104 24.946 35.431 51.195 1.00 87.50 C
815
+ ATOM 815 CG LEU A 104 26.203 34.694 50.748 1.00 93.16 C
816
+ ATOM 816 N LEU A 104 28.656 34.000 48.972 1.00 95.68 N
817
+ ATOM 817 O LEU A 104 27.275 34.668 46.426 1.00 95.35 O
818
+ ATOM 818 C VAL A 105 25.294 32.011 44.713 1.00 96.19 C
819
+ ATOM 819 CA VAL A 105 26.732 32.356 45.092 1.00 96.24 C
820
+ ATOM 820 CB VAL A 105 27.697 31.269 44.568 1.00 95.82 C
821
+ ATOM 821 CG1 VAL A 105 27.554 31.105 43.055 1.00 93.10 C
822
+ ATOM 822 CG2 VAL A 105 29.139 31.612 44.937 1.00 92.98 C
823
+ ATOM 823 N VAL A 105 26.837 32.512 46.539 1.00 96.20 N
824
+ ATOM 824 O VAL A 105 24.740 31.018 45.191 1.00 95.93 O
825
+ ATOM 825 C ARG A 106 23.510 32.116 41.810 1.00 95.81 C
826
+ ATOM 826 CA ARG A 106 23.413 32.563 43.264 1.00 96.04 C
827
+ ATOM 827 CB ARG A 106 22.537 33.813 43.372 1.00 95.49 C
828
+ ATOM 828 CD ARG A 106 21.487 35.548 44.865 1.00 90.54 C
829
+ ATOM 829 CG ARG A 106 22.173 34.191 44.798 1.00 93.01 C
830
+ ATOM 830 CZ ARG A 106 22.072 36.434 47.099 1.00 84.98 C
831
+ ATOM 831 N ARG A 106 24.736 32.814 43.826 1.00 96.03 N
832
+ ATOM 832 NE ARG A 106 21.187 35.934 46.241 1.00 88.27 N
833
+ ATOM 833 NH1 ARG A 106 23.336 36.619 46.738 1.00 76.26 N
834
+ ATOM 834 NH2 ARG A 106 21.691 36.750 48.328 1.00 74.72 N
835
+ ATOM 835 O ARG A 106 24.175 32.763 41.000 1.00 95.24 O
836
+ ATOM 836 C GLU A 107 21.400 30.031 39.880 1.00 95.86 C
837
+ ATOM 837 CA GLU A 107 22.774 30.624 40.179 1.00 95.95 C
838
+ ATOM 838 CB GLU A 107 23.865 29.585 39.906 1.00 95.03 C
839
+ ATOM 839 CD GLU A 107 24.911 27.367 40.570 1.00 82.62 C
840
+ ATOM 840 CG GLU A 107 23.765 28.344 40.780 1.00 87.37 C
841
+ ATOM 841 N GLU A 107 22.854 31.103 41.555 1.00 96.05 N
842
+ ATOM 842 O GLU A 107 20.707 29.568 40.788 1.00 95.37 O
843
+ ATOM 843 OE1 GLU A 107 25.222 27.040 39.401 1.00 78.66 O
844
+ ATOM 844 OE2 GLU A 107 25.501 26.923 41.580 1.00 78.84 O
845
+ ATOM 845 C LEU A 108 20.006 28.097 37.591 1.00 94.92 C
846
+ ATOM 846 CA LEU A 108 19.770 29.454 38.244 1.00 95.39 C
847
+ ATOM 847 CB LEU A 108 19.047 30.385 37.266 1.00 94.52 C
848
+ ATOM 848 CD1 LEU A 108 18.097 32.634 36.698 1.00 83.04 C
849
+ ATOM 849 CD2 LEU A 108 17.508 31.540 38.878 1.00 82.13 C
850
+ ATOM 850 CG LEU A 108 18.593 31.735 37.826 1.00 90.59 C
851
+ ATOM 851 N LEU A 108 21.029 30.049 38.679 1.00 95.49 N
852
+ ATOM 852 O LEU A 108 20.775 27.990 36.632 1.00 93.92 O
853
+ ATOM 853 C ILE A 109 18.053 25.158 37.545 1.00 94.35 C
854
+ ATOM 854 CA ILE A 109 19.456 25.740 37.703 1.00 94.61 C
855
+ ATOM 855 CB ILE A 109 20.303 24.850 38.640 1.00 93.76 C
856
+ ATOM 856 CD1 ILE A 109 22.585 24.673 39.791 1.00 83.51 C
857
+ ATOM 857 CG1 ILE A 109 21.703 25.449 38.824 1.00 88.53 C
858
+ ATOM 858 CG2 ILE A 109 20.386 23.421 38.099 1.00 88.07 C
859
+ ATOM 859 N ILE A 109 19.369 27.109 38.199 1.00 94.63 N
860
+ ATOM 860 O ILE A 109 17.316 25.026 38.525 1.00 93.51 O
861
+ ATOM 861 C ASP A 110 15.240 25.084 36.511 1.00 92.49 C
862
+ ATOM 862 CA ASP A 110 16.382 24.224 35.973 1.00 92.49 C
863
+ ATOM 863 CB ASP A 110 16.291 22.809 36.547 1.00 90.82 C
864
+ ATOM 864 CG ASP A 110 17.278 21.846 35.910 1.00 84.27 C
865
+ ATOM 865 N ASP A 110 17.679 24.820 36.283 1.00 92.73 N
866
+ ATOM 866 O ASP A 110 14.286 24.564 37.093 1.00 91.11 O
867
+ ATOM 867 OD1 ASP A 110 17.566 21.979 34.702 1.00 78.52 O
868
+ ATOM 868 OD2 ASP A 110 17.770 20.945 36.624 1.00 82.59 O
869
+ ATOM 869 C GLY A 111 14.277 27.602 38.212 1.00 92.93 C
870
+ ATOM 870 CA GLY A 111 14.308 27.246 36.738 1.00 92.64 C
871
+ ATOM 871 N GLY A 111 15.376 26.321 36.395 1.00 92.54 N
872
+ ATOM 872 O GLY A 111 13.432 28.385 38.650 1.00 92.06 O
873
+ ATOM 873 C LYS A 112 16.463 28.185 40.791 1.00 95.46 C
874
+ ATOM 874 CA LYS A 112 15.254 27.309 40.468 1.00 95.39 C
875
+ ATOM 875 CB LYS A 112 15.327 26.003 41.260 1.00 94.68 C
876
+ ATOM 876 CD LYS A 112 14.208 23.859 41.959 1.00 87.20 C
877
+ ATOM 877 CE LYS A 112 13.000 22.950 41.771 1.00 82.38 C
878
+ ATOM 878 CG LYS A 112 14.101 25.115 41.103 1.00 90.38 C
879
+ ATOM 879 N LYS A 112 15.171 27.037 39.036 1.00 95.25 N
880
+ ATOM 880 NZ LYS A 112 13.085 21.733 42.634 1.00 75.07 N
881
+ ATOM 881 O LYS A 112 17.486 28.115 40.109 1.00 95.20 O
882
+ ATOM 882 C LEU A 113 18.074 29.011 43.391 1.00 95.79 C
883
+ ATOM 883 CA LEU A 113 17.348 29.790 42.299 1.00 95.77 C
884
+ ATOM 884 CB LEU A 113 16.858 31.131 42.852 1.00 95.34 C
885
+ ATOM 885 CD1 LEU A 113 18.875 32.544 42.383 1.00 89.99 C
886
+ ATOM 886 CD2 LEU A 113 17.273 33.209 44.196 1.00 89.63 C
887
+ ATOM 887 CG LEU A 113 17.924 32.042 43.464 1.00 93.79 C
888
+ ATOM 888 N LEU A 113 16.231 29.018 41.765 1.00 95.62 N
889
+ ATOM 889 O LEU A 113 17.467 28.631 44.396 1.00 95.52 O
890
+ ATOM 890 C ILE A 114 21.196 28.995 44.692 1.00 96.13 C
891
+ ATOM 891 CA ILE A 114 20.214 28.012 44.057 1.00 96.15 C
892
+ ATOM 892 CB ILE A 114 20.978 26.844 43.394 1.00 95.67 C
893
+ ATOM 893 CD1 ILE A 114 18.887 25.363 43.438 1.00 82.26 C
894
+ ATOM 894 CG1 ILE A 114 20.012 25.957 42.600 1.00 91.14 C
895
+ ATOM 895 CG2 ILE A 114 21.734 26.027 44.445 1.00 91.09 C
896
+ ATOM 896 N ILE A 114 19.371 28.713 43.094 1.00 96.14 N
897
+ ATOM 897 O ILE A 114 21.966 29.654 43.991 1.00 95.87 O
898
+ ATOM 898 C LEU A 115 23.023 28.996 47.562 1.00 96.01 C
899
+ ATOM 899 CA LEU A 115 22.064 29.889 46.783 1.00 96.06 C
900
+ ATOM 900 CB LEU A 115 21.305 30.806 47.748 1.00 95.54 C
901
+ ATOM 901 CD1 LEU A 115 23.070 32.576 47.940 1.00 84.99 C
902
+ ATOM 902 CD2 LEU A 115 21.273 32.403 49.683 1.00 84.17 C
903
+ ATOM 903 CG LEU A 115 22.159 31.629 48.714 1.00 93.03 C
904
+ ATOM 904 N LEU A 115 21.130 29.090 45.998 1.00 95.97 N
905
+ ATOM 905 O LEU A 115 22.593 28.183 48.384 1.00 95.68 O
906
+ ATOM 906 C THR A 116 26.088 29.379 48.876 1.00 96.19 C
907
+ ATOM 907 CA THR A 116 25.327 28.403 47.983 1.00 96.31 C
908
+ ATOM 908 CB THR A 116 26.313 27.695 47.035 1.00 95.97 C
909
+ ATOM 909 CG2 THR A 116 27.375 26.930 47.818 1.00 94.05 C
910
+ ATOM 910 N THR A 116 24.280 29.093 47.239 1.00 96.28 N
911
+ ATOM 911 O THR A 116 26.676 30.346 48.388 1.00 95.88 O
912
+ ATOM 912 OG1 THR A 116 25.592 26.776 46.206 1.00 91.63 O
913
+ ATOM 913 C LEU A 117 27.978 29.154 51.717 1.00 95.60 C
914
+ ATOM 914 CA LEU A 117 26.761 29.907 51.190 1.00 95.82 C
915
+ ATOM 915 CB LEU A 117 25.825 30.262 52.346 1.00 95.09 C
916
+ ATOM 916 CD1 LEU A 117 23.504 30.795 53.132 1.00 75.81 C
917
+ ATOM 917 CD2 LEU A 117 24.668 32.334 51.529 1.00 74.88 C
918
+ ATOM 918 CG LEU A 117 24.481 30.885 51.965 1.00 89.62 C
919
+ ATOM 919 N LEU A 117 26.056 29.117 50.186 1.00 95.77 N
920
+ ATOM 920 O LEU A 117 27.871 27.991 52.110 1.00 95.04 O
921
+ ATOM 921 C THR A 118 31.043 30.070 53.223 1.00 95.72 C
922
+ ATOM 922 CA THR A 118 30.331 29.202 52.190 1.00 96.00 C
923
+ ATOM 923 CB THR A 118 31.284 28.914 51.014 1.00 95.54 C
924
+ ATOM 924 CG2 THR A 118 32.513 28.140 51.480 1.00 92.53 C
925
+ ATOM 925 N THR A 118 29.105 29.844 51.731 1.00 96.01 N
926
+ ATOM 926 O THR A 118 31.270 31.259 52.992 1.00 95.17 O
927
+ ATOM 927 OG1 THR A 118 30.593 28.141 50.026 1.00 90.50 O
928
+ ATOM 928 C HIS A 119 33.134 29.069 55.932 1.00 95.00 C
929
+ ATOM 929 CA HIS A 119 32.186 30.119 55.362 1.00 95.48 C
930
+ ATOM 930 CB HIS A 119 31.334 30.720 56.482 1.00 94.86 C
931
+ ATOM 931 CD2 HIS A 119 32.935 32.455 57.555 1.00 84.31 C
932
+ ATOM 932 CE1 HIS A 119 32.962 31.639 59.589 1.00 86.72 C
933
+ ATOM 933 CG HIS A 119 32.137 31.362 57.568 1.00 91.86 C
934
+ ATOM 934 N HIS A 119 31.336 29.551 54.322 1.00 95.50 N
935
+ ATOM 935 ND1 HIS A 119 32.174 30.872 58.855 1.00 82.26 N
936
+ ATOM 936 NE2 HIS A 119 33.437 32.607 58.824 1.00 87.94 N
937
+ ATOM 937 O HIS A 119 32.696 28.121 56.587 1.00 93.91 O
938
+ ATOM 938 C GLY A 120 35.118 27.011 55.426 1.00 93.68 C
939
+ ATOM 939 CA GLY A 120 35.382 28.296 56.187 1.00 93.69 C
940
+ ATOM 940 N GLY A 120 34.467 29.369 55.833 1.00 93.95 N
941
+ ATOM 941 O GLY A 120 35.081 27.009 54.194 1.00 92.36 O
942
+ ATOM 942 C THR A 121 33.117 24.391 55.510 1.00 93.48 C
943
+ ATOM 943 CA THR A 121 34.616 24.674 55.538 1.00 93.82 C
944
+ ATOM 944 CB THR A 121 35.340 23.545 56.292 1.00 92.35 C
945
+ ATOM 945 CG2 THR A 121 36.854 23.718 56.221 1.00 83.83 C
946
+ ATOM 946 N THR A 121 34.885 25.973 56.145 1.00 93.90 N
947
+ ATOM 947 O THR A 121 32.681 23.377 54.960 1.00 92.22 O
948
+ ATOM 948 OG1 THR A 121 34.933 23.557 57.666 1.00 85.64 O
949
+ ATOM 949 C ALA A 122 30.264 25.535 54.793 1.00 95.47 C
950
+ ATOM 950 CA ALA A 122 30.895 25.083 56.106 1.00 95.36 C
951
+ ATOM 951 CB ALA A 122 30.275 25.839 57.279 1.00 94.63 C
952
+ ATOM 952 N ALA A 122 32.343 25.274 56.086 1.00 95.13 N
953
+ ATOM 953 O ALA A 122 30.519 26.648 54.325 1.00 95.16 O
954
+ ATOM 954 C VAL A 123 27.260 24.715 53.165 1.00 95.83 C
955
+ ATOM 955 CA VAL A 123 28.752 24.968 52.958 1.00 96.04 C
956
+ ATOM 956 CB VAL A 123 29.274 24.130 51.769 1.00 95.39 C
957
+ ATOM 957 CG1 VAL A 123 28.506 24.466 50.492 1.00 90.74 C
958
+ ATOM 958 CG2 VAL A 123 30.771 24.359 51.571 1.00 90.84 C
959
+ ATOM 959 N VAL A 123 29.480 24.667 54.186 1.00 95.99 N
960
+ ATOM 960 O VAL A 123 26.865 23.642 53.627 1.00 95.37 O
961
+ ATOM 961 C CYS A 124 24.431 25.897 51.536 1.00 95.85 C
962
+ ATOM 962 CA CYS A 124 25.037 25.638 52.910 1.00 95.90 C
963
+ ATOM 963 CB CYS A 124 24.506 26.661 53.914 1.00 95.23 C
964
+ ATOM 964 N CYS A 124 26.495 25.686 52.854 1.00 95.85 N
965
+ ATOM 965 O CYS A 124 24.920 26.743 50.786 1.00 95.44 O
966
+ ATOM 966 SG CYS A 124 22.718 26.900 53.832 1.00 82.35 S
967
+ ATOM 967 C THR A 125 21.233 25.572 50.239 1.00 96.00 C
968
+ ATOM 968 CA THR A 125 22.712 25.318 49.959 1.00 96.15 C
969
+ ATOM 969 CB THR A 125 22.857 24.114 49.011 1.00 95.34 C
970
+ ATOM 970 CG2 THR A 125 22.140 24.365 47.689 1.00 79.37 C
971
+ ATOM 971 N THR A 125 23.445 25.105 51.202 1.00 96.18 N
972
+ ATOM 972 O THR A 125 20.604 24.832 50.999 1.00 95.53 O
973
+ ATOM 973 OG1 THR A 125 24.248 23.883 48.750 1.00 71.20 O
974
+ ATOM 974 C ARG A 126 18.687 26.975 48.330 1.00 95.15 C
975
+ ATOM 975 CA ARG A 126 19.306 26.908 49.722 1.00 95.22 C
976
+ ATOM 976 CB ARG A 126 19.109 28.242 50.446 1.00 94.62 C
977
+ ATOM 977 CD ARG A 126 19.444 29.607 52.537 1.00 89.72 C
978
+ ATOM 978 CG ARG A 126 19.602 28.240 51.884 1.00 91.91 C
979
+ ATOM 979 CZ ARG A 126 17.705 30.001 54.251 1.00 82.86 C
980
+ ATOM 980 N ARG A 126 20.723 26.568 49.650 1.00 95.20 N
981
+ ATOM 981 NE ARG A 126 18.073 29.835 52.983 1.00 86.49 N
982
+ ATOM 982 NH1 ARG A 126 18.604 29.965 55.227 1.00 75.38 N
983
+ ATOM 983 NH2 ARG A 126 16.429 30.202 54.544 1.00 74.31 N
984
+ ATOM 984 O ARG A 126 19.297 27.505 47.399 1.00 94.73 O
985
+ ATOM 985 C THR A 127 15.532 27.208 46.970 1.00 95.41 C
986
+ ATOM 986 CA THR A 127 16.820 26.390 46.913 1.00 95.51 C
987
+ ATOM 987 CB THR A 127 16.491 24.938 46.516 1.00 94.99 C
988
+ ATOM 988 CG2 THR A 127 15.868 24.877 45.126 1.00 92.04 C
989
+ ATOM 989 N THR A 127 17.522 26.442 48.191 1.00 95.44 N
990
+ ATOM 990 O THR A 127 14.728 27.047 47.890 1.00 95.00 O
991
+ ATOM 991 OG1 THR A 127 17.697 24.164 46.521 1.00 90.68 O
992
+ ATOM 992 C TYR A 128 13.409 28.658 44.630 1.00 94.97 C
993
+ ATOM 993 CA TYR A 128 14.197 28.935 45.905 1.00 95.27 C
994
+ ATOM 994 CB TYR A 128 14.604 30.411 45.957 1.00 94.98 C
995
+ ATOM 995 CD1 TYR A 128 14.731 31.494 48.235 1.00 92.67 C
996
+ ATOM 996 CD2 TYR A 128 16.695 30.443 47.368 1.00 92.26 C
997
+ ATOM 997 CE1 TYR A 128 15.422 31.847 49.390 1.00 92.19 C
998
+ ATOM 998 CE2 TYR A 128 17.395 30.791 48.519 1.00 92.00 C
999
+ ATOM 999 CG TYR A 128 15.357 30.789 47.209 1.00 94.32 C
1000
+ ATOM 1000 CZ TYR A 128 16.750 31.491 49.524 1.00 90.97 C
1001
+ ATOM 1001 N TYR A 128 15.372 28.076 45.990 1.00 95.17 N
1002
+ ATOM 1002 O TYR A 128 13.986 28.282 43.606 1.00 94.40 O
1003
+ ATOM 1003 OH TYR A 128 17.438 31.837 50.665 1.00 88.72 O
1004
+ ATOM 1004 C GLU A 129 10.622 30.179 43.269 1.00 94.91 C
1005
+ ATOM 1005 CA GLU A 129 11.248 28.813 43.534 1.00 95.06 C
1006
+ ATOM 1006 CB GLU A 129 10.153 27.761 43.734 1.00 93.98 C
1007
+ ATOM 1007 CD GLU A 129 9.551 25.295 43.819 1.00 81.54 C
1008
+ ATOM 1008 CG GLU A 129 10.649 26.328 43.618 1.00 85.85 C
1009
+ ATOM 1009 N GLU A 129 12.136 28.855 44.692 1.00 95.11 N
1010
+ ATOM 1010 O GLU A 129 10.282 30.904 44.206 1.00 94.30 O
1011
+ ATOM 1011 OE1 GLU A 129 8.401 25.684 44.123 1.00 77.50 O
1012
+ ATOM 1012 OE2 GLU A 129 9.845 24.087 43.674 1.00 77.54 O
1013
+ ATOM 1013 C LYS A 130 8.463 31.783 41.954 1.00 93.34 C
1014
+ ATOM 1014 CA LYS A 130 9.952 31.734 41.629 1.00 94.17 C
1015
+ ATOM 1015 CB LYS A 130 10.173 31.996 40.139 1.00 92.68 C
1016
+ ATOM 1016 CD LYS A 130 10.528 33.706 38.325 1.00 82.17 C
1017
+ ATOM 1017 CE LYS A 130 10.531 35.191 37.986 1.00 76.16 C
1018
+ ATOM 1018 CG LYS A 130 10.011 33.455 39.736 1.00 84.88 C
1019
+ ATOM 1019 N LYS A 130 10.534 30.452 42.015 1.00 94.44 N
1020
+ ATOM 1020 NZ LYS A 130 11.142 35.452 36.648 1.00 69.56 N
1021
+ ATOM 1021 O LYS A 130 7.753 30.788 41.790 1.00 91.74 O
1022
+ ATOM 1022 C GLU A 131 5.858 33.583 41.379 1.00 86.99 C
1023
+ ATOM 1023 CA GLU A 131 6.589 33.123 42.637 1.00 89.49 C
1024
+ ATOM 1024 CB GLU A 131 6.370 34.129 43.771 1.00 85.98 C
1025
+ ATOM 1025 CD GLU A 131 4.807 35.000 45.574 1.00 73.17 C
1026
+ ATOM 1026 CG GLU A 131 4.977 34.070 44.383 1.00 76.23 C
1027
+ ATOM 1027 N GLU A 131 8.015 32.941 42.382 1.00 91.45 N
1028
+ ATOM 1028 O GLU A 131 6.401 34.358 40.588 1.00 81.50 O
1029
+ ATOM 1029 OE1 GLU A 131 5.768 35.724 45.922 1.00 69.84 O
1030
+ ATOM 1030 OE2 GLU A 131 3.704 35.003 46.165 1.00 68.31 O
1031
+ TER 1031 GLU A 131
1032
+ END
1hms/1hms_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1hty/1hty_ligand.mol2 ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Sun Sep 9 21:50:03 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1hty_ligand
7
+ 22 21 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 14.8810 61.1260 10.2450 C.3 1 NON -0.0363
14
+ 2 C2 16.3240 61.1700 10.6310 C.3 1 NON 0.0629
15
+ 3 O2 16.9880 60.0560 9.9950 O.3 1 NON -0.3890
16
+ 4 CM 16.9740 62.4410 10.1530 C.3 1 NON -0.0363
17
+ 5 C3 16.4490 61.0050 12.1700 C.3 1 NON 0.0013
18
+ 6 C4 17.8170 60.6420 12.7500 C.3 1 NON 0.0550
19
+ 7 O4 17.6760 59.6730 13.7670 O.3 1 NON -0.3920
20
+ 8 C5 18.4630 61.8600 13.3990 C.3 1 NON -0.0389
21
+ 9 H1 14.3495 61.9656 10.7167 H 1 NON 0.0257
22
+ 10 H2 14.4398 60.1767 10.5828 H 1 NON 0.0257
23
+ 11 H3 14.7914 61.2034 9.1514 H 1 NON 0.0257
24
+ 12 H4 17.9092 60.0636 10.2268 H 1 NON 0.2101
25
+ 13 H5 18.0329 62.4457 10.4507 H 1 NON 0.0257
26
+ 14 H6 16.4631 63.3055 10.6021 H 1 NON 0.0257
27
+ 15 H7 16.9010 62.5005 9.0571 H 1 NON 0.0257
28
+ 16 H8 15.7469 60.2136 12.4711 H 1 NON 0.0318
29
+ 17 H9 16.1443 61.9585 12.6259 H 1 NON 0.0318
30
+ 18 H10 18.4618 60.2561 11.9467 H 1 NON 0.0591
31
+ 19 H11 18.5320 59.4570 14.1180 H 1 NON 0.2098
32
+ 20 H12 19.4442 61.5795 13.8096 H 1 NON 0.0254
33
+ 21 H13 17.8180 62.2287 14.2102 H 1 NON 0.0254
34
+ 22 H14 18.5933 62.6510 12.6458 H 1 NON 0.0254
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
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+ ATOM 1 N ALA A 1 10.186 1.573 -45.777 1.00 0.00 N
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61
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70
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+ ATOM 83 CG PHE A 10 -2.183 8.545 -44.040 1.00 0.00 C
85
+ ATOM 84 CD1 PHE A 10 -3.565 8.606 -44.172 1.00 0.00 C
86
+ ATOM 85 CD2 PHE A 10 -1.549 7.321 -44.210 1.00 0.00 C
87
+ ATOM 86 CE1 PHE A 10 -4.305 7.463 -44.469 1.00 0.00 C
88
+ ATOM 87 CE2 PHE A 10 -2.281 6.175 -44.507 1.00 0.00 C
89
+ ATOM 88 CZ PHE A 10 -3.660 6.248 -44.636 1.00 0.00 C
90
+ ATOM 89 N SER A 11 0.165 12.551 -44.087 1.00 0.00 N
91
+ ATOM 90 CA SER A 11 0.439 13.929 -43.693 1.00 0.00 C
92
+ ATOM 91 C SER A 11 -0.099 14.915 -44.724 1.00 0.00 C
93
+ ATOM 92 CB SER A 11 1.942 14.145 -43.504 1.00 0.00 C
94
+ ATOM 93 O SER A 11 -0.617 15.975 -44.365 1.00 0.00 O
95
+ ATOM 94 OG SER A 11 2.585 14.323 -44.753 1.00 0.00 O
96
+ ATOM 95 N GLN A 12 -0.085 14.547 -46.001 1.00 0.00 N
97
+ ATOM 96 CA GLN A 12 -0.300 15.577 -47.012 1.00 0.00 C
98
+ ATOM 97 C GLN A 12 -1.752 15.594 -47.481 1.00 0.00 C
99
+ ATOM 98 CB GLN A 12 0.634 15.361 -48.205 1.00 0.00 C
100
+ ATOM 99 O GLN A 12 -2.305 16.658 -47.766 1.00 0.00 O
101
+ ATOM 100 CG GLN A 12 2.069 15.804 -47.950 1.00 0.00 C
102
+ ATOM 101 CD GLN A 12 2.807 16.165 -49.225 1.00 0.00 C
103
+ ATOM 102 NE2 GLN A 12 4.029 16.665 -49.081 1.00 0.00 N
104
+ ATOM 103 OE1 GLN A 12 2.283 15.996 -50.330 1.00 0.00 O
105
+ ATOM 104 N GLU A 13 -2.427 14.428 -47.592 1.00 0.00 N
106
+ ATOM 105 CA GLU A 13 -3.658 14.413 -48.378 1.00 0.00 C
107
+ ATOM 106 C GLU A 13 -4.888 14.428 -47.475 1.00 0.00 C
108
+ ATOM 107 CB GLU A 13 -3.694 13.189 -49.297 1.00 0.00 C
109
+ ATOM 108 O GLU A 13 -5.917 15.006 -47.829 1.00 0.00 O
110
+ ATOM 109 CG GLU A 13 -2.883 13.355 -50.573 1.00 0.00 C
111
+ ATOM 110 CD GLU A 13 -3.028 12.182 -51.532 1.00 0.00 C
112
+ ATOM 111 OE1 GLU A 13 -3.739 11.209 -51.197 1.00 0.00 O
113
+ ATOM 112 OE2 GLU A 13 -2.424 12.239 -52.626 1.00 0.00 O
114
+ ATOM 113 N GLN A 14 -4.801 13.975 -46.238 1.00 0.00 N
115
+ ATOM 114 CA GLN A 14 -6.036 13.595 -45.560 1.00 0.00 C
116
+ ATOM 115 C GLN A 14 -6.144 14.268 -44.195 1.00 0.00 C
117
+ ATOM 116 CB GLN A 14 -6.118 12.076 -45.404 1.00 0.00 C
118
+ ATOM 117 O GLN A 14 -7.122 14.064 -43.473 1.00 0.00 O
119
+ ATOM 118 CG GLN A 14 -6.499 11.346 -46.685 1.00 0.00 C
120
+ ATOM 119 CD GLN A 14 -7.194 10.023 -46.423 1.00 0.00 C
121
+ ATOM 120 NE2 GLN A 14 -7.908 9.520 -47.425 1.00 0.00 N
122
+ ATOM 121 OE1 GLN A 14 -7.090 9.458 -45.330 1.00 0.00 O
123
+ ATOM 122 N ILE A 15 -5.192 15.174 -43.929 1.00 0.00 N
124
+ ATOM 123 CA ILE A 15 -5.356 15.802 -42.621 1.00 0.00 C
125
+ ATOM 124 C ILE A 15 -6.267 17.020 -42.746 1.00 0.00 C
126
+ ATOM 125 CB ILE A 15 -3.996 16.209 -42.014 1.00 0.00 C
127
+ ATOM 126 O ILE A 15 -5.895 18.020 -43.364 1.00 0.00 O
128
+ ATOM 127 CG1 ILE A 15 -3.073 14.990 -41.905 1.00 0.00 C
129
+ ATOM 128 CG2 ILE A 15 -4.190 16.873 -40.649 1.00 0.00 C
130
+ ATOM 129 CD1 ILE A 15 -1.657 15.324 -41.453 1.00 0.00 C
131
+ ATOM 130 N GLY A 16 -7.468 16.843 -43.174 1.00 0.00 N
132
+ ATOM 131 CA GLY A 16 -8.431 17.930 -43.076 1.00 0.00 C
133
+ ATOM 132 C GLY A 16 -8.190 18.833 -41.882 1.00 0.00 C
134
+ ATOM 133 O GLY A 16 -7.392 18.508 -41.001 1.00 0.00 O
135
+ ATOM 134 N GLU A 17 -8.250 20.217 -42.102 1.00 0.00 N
136
+ ATOM 135 CA GLU A 17 -8.050 21.304 -41.150 1.00 0.00 C
137
+ ATOM 136 C GLU A 17 -8.473 20.893 -39.742 1.00 0.00 C
138
+ ATOM 137 CB GLU A 17 -8.823 22.552 -41.588 1.00 0.00 C
139
+ ATOM 138 O GLU A 17 -8.010 21.469 -38.755 1.00 0.00 O
140
+ ATOM 139 CG GLU A 17 -8.177 23.302 -42.744 1.00 0.00 C
141
+ ATOM 140 CD GLU A 17 -8.867 24.617 -43.066 1.00 0.00 C
142
+ ATOM 141 OE1 GLU A 17 -9.871 24.955 -42.399 1.00 0.00 O
143
+ ATOM 142 OE2 GLU A 17 -8.401 25.316 -43.994 1.00 0.00 O
144
+ ATOM 143 N ASN A 18 -9.287 19.811 -39.639 1.00 0.00 N
145
+ ATOM 144 CA ASN A 18 -9.884 19.438 -38.361 1.00 0.00 C
146
+ ATOM 145 C ASN A 18 -9.250 18.170 -37.795 1.00 0.00 C
147
+ ATOM 146 CB ASN A 18 -11.396 19.256 -38.506 1.00 0.00 C
148
+ ATOM 147 O ASN A 18 -9.703 17.647 -36.776 1.00 0.00 O
149
+ ATOM 148 CG ASN A 18 -12.118 20.563 -38.771 1.00 0.00 C
150
+ ATOM 149 ND2 ASN A 18 -13.249 20.487 -39.463 1.00 0.00 N
151
+ ATOM 150 OD1 ASN A 18 -11.664 21.632 -38.356 1.00 0.00 O
152
+ ATOM 151 N ILE A 19 -8.346 17.589 -38.571 1.00 0.00 N
153
+ ATOM 152 CA ILE A 19 -7.713 16.361 -38.103 1.00 0.00 C
154
+ ATOM 153 C ILE A 19 -6.486 16.701 -37.260 1.00 0.00 C
155
+ ATOM 154 CB ILE A 19 -7.316 15.445 -39.282 1.00 0.00 C
156
+ ATOM 155 O ILE A 19 -5.587 17.409 -37.720 1.00 0.00 O
157
+ ATOM 156 CG1 ILE A 19 -8.552 15.068 -40.106 1.00 0.00 C
158
+ ATOM 157 CG2 ILE A 19 -6.593 14.193 -38.775 1.00 0.00 C
159
+ ATOM 158 CD1 ILE A 19 -8.261 14.119 -41.260 1.00 0.00 C
160
+ ATOM 159 N VAL A 20 -6.586 16.420 -35.993 1.00 0.00 N
161
+ ATOM 160 CA VAL A 20 -5.612 16.871 -35.003 1.00 0.00 C
162
+ ATOM 161 C VAL A 20 -4.539 15.802 -34.811 1.00 0.00 C
163
+ ATOM 162 CB VAL A 20 -6.286 17.199 -33.652 1.00 0.00 C
164
+ ATOM 163 O VAL A 20 -3.343 16.101 -34.849 1.00 0.00 O
165
+ ATOM 164 CG1 VAL A 20 -5.258 17.718 -32.648 1.00 0.00 C
166
+ ATOM 165 CG2 VAL A 20 -7.407 18.218 -33.849 1.00 0.00 C
167
+ ATOM 166 N CYS A 21 -4.992 14.462 -34.702 1.00 0.00 N
168
+ ATOM 167 CA CYS A 21 -4.091 13.376 -34.330 1.00 0.00 C
169
+ ATOM 168 C CYS A 21 -4.637 12.031 -34.795 1.00 0.00 C
170
+ ATOM 169 CB CYS A 21 -3.875 13.354 -32.818 1.00 0.00 C
171
+ ATOM 170 O CYS A 21 -5.824 11.746 -34.628 1.00 0.00 O
172
+ ATOM 171 SG CYS A 21 -2.753 12.052 -32.262 1.00 0.00 S
173
+ ATOM 172 N ARG A 22 -3.833 11.285 -35.535 1.00 0.00 N
174
+ ATOM 173 CA ARG A 22 -4.188 9.935 -35.961 1.00 0.00 C
175
+ ATOM 174 C ARG A 22 -3.202 8.910 -35.407 1.00 0.00 C
176
+ ATOM 175 CB ARG A 22 -4.233 9.847 -37.487 1.00 0.00 C
177
+ ATOM 176 O ARG A 22 -2.002 9.177 -35.328 1.00 0.00 O
178
+ ATOM 177 CG ARG A 22 -5.440 10.532 -38.109 1.00 0.00 C
179
+ ATOM 178 CD ARG A 22 -5.482 10.341 -39.618 1.00 0.00 C
180
+ ATOM 179 NE ARG A 22 -6.506 11.176 -40.238 1.00 0.00 N
181
+ ATOM 180 NH1 ARG A 22 -5.954 10.602 -42.408 1.00 0.00 N
182
+ ATOM 181 NH2 ARG A 22 -7.668 12.070 -42.006 1.00 0.00 N
183
+ ATOM 182 CZ ARG A 22 -6.707 11.281 -41.550 1.00 0.00 C
184
+ ATOM 183 N VAL A 23 -3.864 7.947 -35.017 1.00 0.00 N
185
+ ATOM 184 CA VAL A 23 -3.077 6.772 -34.660 1.00 0.00 C
186
+ ATOM 185 C VAL A 23 -3.332 5.653 -35.666 1.00 0.00 C
187
+ ATOM 186 CB VAL A 23 -3.398 6.286 -33.229 1.00 0.00 C
188
+ ATOM 187 O VAL A 23 -4.471 5.206 -35.831 1.00 0.00 O
189
+ ATOM 188 CG1 VAL A 23 -2.515 5.099 -32.851 1.00 0.00 C
190
+ ATOM 189 CG2 VAL A 23 -3.222 7.426 -32.227 1.00 0.00 C
191
+ ATOM 190 N ILE A 24 -2.370 5.428 -36.466 1.00 0.00 N
192
+ ATOM 191 CA ILE A 24 -2.527 4.462 -37.548 1.00 0.00 C
193
+ ATOM 192 C ILE A 24 -1.807 3.164 -37.188 1.00 0.00 C
194
+ ATOM 193 CB ILE A 24 -1.992 5.019 -38.886 1.00 0.00 C
195
+ ATOM 194 O ILE A 24 -0.607 3.172 -36.904 1.00 0.00 O
196
+ ATOM 195 CG1 ILE A 24 -2.684 6.343 -39.227 1.00 0.00 C
197
+ ATOM 196 CG2 ILE A 24 -2.182 3.997 -40.010 1.00 0.00 C
198
+ ATOM 197 CD1 ILE A 24 -2.149 7.016 -40.484 1.00 0.00 C
199
+ ATOM 198 N CYS A 25 -2.530 2.110 -37.164 1.00 0.00 N
200
+ ATOM 199 CA CYS A 25 -1.941 0.788 -36.988 1.00 0.00 C
201
+ ATOM 200 C CYS A 25 -1.338 0.281 -38.293 1.00 0.00 C
202
+ ATOM 201 CB CYS A 25 -2.989 -0.203 -36.481 1.00 0.00 C
203
+ ATOM 202 O CYS A 25 -2.021 0.226 -39.317 1.00 0.00 O
204
+ ATOM 203 SG CYS A 25 -2.311 -1.816 -36.036 1.00 0.00 S
205
+ ATOM 204 N THR A 26 -0.077 0.081 -38.276 1.00 0.00 N
206
+ ATOM 205 CA THR A 26 0.626 -0.326 -39.488 1.00 0.00 C
207
+ ATOM 206 C THR A 26 0.773 -1.843 -39.546 1.00 0.00 C
208
+ ATOM 207 CB THR A 26 2.016 0.331 -39.575 1.00 0.00 C
209
+ ATOM 208 O THR A 26 1.222 -2.392 -40.555 1.00 0.00 O
210
+ ATOM 209 CG2 THR A 26 1.902 1.848 -39.674 1.00 0.00 C
211
+ ATOM 210 OG1 THR A 26 2.770 -0.005 -38.404 1.00 0.00 O
212
+ ATOM 211 N THR A 27 0.581 -2.523 -38.460 1.00 0.00 N
213
+ ATOM 212 CA THR A 27 0.731 -3.971 -38.362 1.00 0.00 C
214
+ ATOM 213 C THR A 27 -0.591 -4.628 -37.978 1.00 0.00 C
215
+ ATOM 214 CB THR A 27 1.813 -4.351 -37.333 1.00 0.00 C
216
+ ATOM 215 O THR A 27 -1.368 -4.066 -37.203 1.00 0.00 O
217
+ ATOM 216 CG2 THR A 27 3.193 -3.886 -37.789 1.00 0.00 C
218
+ ATOM 217 OG1 THR A 27 1.506 -3.738 -36.075 1.00 0.00 O
219
+ ATOM 218 N GLY A 28 -1.291 -5.345 -39.072 1.00 0.00 N
220
+ ATOM 219 CA GLY A 28 -2.552 -6.031 -38.846 1.00 0.00 C
221
+ ATOM 220 C GLY A 28 -3.717 -5.396 -39.582 1.00 0.00 C
222
+ ATOM 221 O GLY A 28 -3.517 -4.630 -40.526 1.00 0.00 O
223
+ ATOM 222 N GLN A 29 -4.930 -6.018 -39.509 1.00 0.00 N
224
+ ATOM 223 CA GLN A 29 -6.196 -5.639 -40.129 1.00 0.00 C
225
+ ATOM 224 C GLN A 29 -6.900 -4.552 -39.323 1.00 0.00 C
226
+ ATOM 225 CB GLN A 29 -7.108 -6.857 -40.276 1.00 0.00 C
227
+ ATOM 226 O GLN A 29 -8.131 -4.483 -39.305 1.00 0.00 O
228
+ ATOM 227 CG GLN A 29 -6.633 -7.859 -41.320 1.00 0.00 C
229
+ ATOM 228 CD GLN A 29 -7.776 -8.476 -42.105 1.00 0.00 C
230
+ ATOM 229 NE2 GLN A 29 -7.445 -9.173 -43.186 1.00 0.00 N
231
+ ATOM 230 OE1 GLN A 29 -8.948 -8.326 -41.743 1.00 0.00 O
232
+ ATOM 231 N ILE A 30 -6.151 -3.944 -38.415 1.00 0.00 N
233
+ ATOM 232 CA ILE A 30 -6.900 -2.948 -37.656 1.00 0.00 C
234
+ ATOM 233 C ILE A 30 -6.944 -1.633 -38.431 1.00 0.00 C
235
+ ATOM 234 CB ILE A 30 -6.284 -2.724 -36.256 1.00 0.00 C
236
+ ATOM 235 O ILE A 30 -5.916 -1.163 -38.926 1.00 0.00 O
237
+ ATOM 236 CG1 ILE A 30 -6.192 -4.050 -35.494 1.00 0.00 C
238
+ ATOM 237 CG2 ILE A 30 -7.096 -1.693 -35.467 1.00 0.00 C
239
+ ATOM 238 CD1 ILE A 30 -5.491 -3.944 -34.146 1.00 0.00 C
240
+ ATOM 239 N PRO A 31 -8.221 -1.191 -38.613 1.00 0.00 N
241
+ ATOM 240 CA PRO A 31 -8.489 0.056 -39.332 1.00 0.00 C
242
+ ATOM 241 C PRO A 31 -7.813 1.265 -38.688 1.00 0.00 C
243
+ ATOM 242 CB PRO A 31 -10.012 0.182 -39.266 1.00 0.00 C
244
+ ATOM 243 O PRO A 31 -7.517 1.245 -37.491 1.00 0.00 O
245
+ ATOM 244 CG PRO A 31 -10.441 -0.876 -38.301 1.00 0.00 C
246
+ ATOM 245 CD PRO A 31 -9.249 -1.725 -37.963 1.00 0.00 C
247
+ ATOM 246 N ILE A 32 -7.300 2.139 -39.465 1.00 0.00 N
248
+ ATOM 247 CA ILE A 32 -6.906 3.504 -39.133 1.00 0.00 C
249
+ ATOM 248 C ILE A 32 -7.889 4.094 -38.124 1.00 0.00 C
250
+ ATOM 249 CB ILE A 32 -6.835 4.394 -40.394 1.00 0.00 C
251
+ ATOM 250 O ILE A 32 -9.105 4.015 -38.314 1.00 0.00 O
252
+ ATOM 251 CG1 ILE A 32 -5.828 3.818 -41.398 1.00 0.00 C
253
+ ATOM 252 CG2 ILE A 32 -6.472 5.833 -40.020 1.00 0.00 C
254
+ ATOM 253 CD1 ILE A 32 -5.852 4.499 -42.758 1.00 0.00 C
255
+ ATOM 254 N ARG A 33 -7.378 4.320 -36.971 1.00 0.00 N
256
+ ATOM 255 CA ARG A 33 -8.252 5.023 -36.037 1.00 0.00 C
257
+ ATOM 256 C ARG A 33 -7.850 6.489 -35.908 1.00 0.00 C
258
+ ATOM 257 CB ARG A 33 -8.224 4.349 -34.664 1.00 0.00 C
259
+ ATOM 258 O ARG A 33 -6.664 6.805 -35.800 1.00 0.00 O
260
+ ATOM 259 CG ARG A 33 -8.765 2.928 -34.664 1.00 0.00 C
261
+ ATOM 260 CD ARG A 33 -10.282 2.901 -34.544 1.00 0.00 C
262
+ ATOM 261 NE ARG A 33 -10.775 1.562 -34.233 1.00 0.00 N
263
+ ATOM 262 NH1 ARG A 33 -13.008 2.112 -34.438 1.00 0.00 N
264
+ ATOM 263 NH2 ARG A 33 -12.395 -0.029 -33.896 1.00 0.00 N
265
+ ATOM 264 CZ ARG A 33 -12.058 1.218 -34.189 1.00 0.00 C
266
+ ATOM 265 N ASP A 34 -8.800 7.359 -36.146 1.00 0.00 N
267
+ ATOM 266 CA ASP A 34 -8.739 8.818 -36.133 1.00 0.00 C
268
+ ATOM 267 C ASP A 34 -9.101 9.371 -34.757 1.00 0.00 C
269
+ ATOM 268 CB ASP A 34 -9.670 9.403 -37.197 1.00 0.00 C
270
+ ATOM 269 O ASP A 34 -10.222 9.183 -34.282 1.00 0.00 O
271
+ ATOM 270 CG ASP A 34 -9.463 10.891 -37.414 1.00 0.00 C
272
+ ATOM 271 OD1 ASP A 34 -8.835 11.550 -36.557 1.00 0.00 O
273
+ ATOM 272 OD2 ASP A 34 -9.933 11.411 -38.449 1.00 0.00 O
274
+ ATOM 273 N LEU A 35 -8.090 9.874 -33.971 1.00 0.00 N
275
+ ATOM 274 CA LEU A 35 -8.413 10.524 -32.706 1.00 0.00 C
276
+ ATOM 275 C LEU A 35 -9.045 11.891 -32.942 1.00 0.00 C
277
+ ATOM 276 CB LEU A 35 -7.156 10.672 -31.843 1.00 0.00 C
278
+ ATOM 277 O LEU A 35 -9.491 12.546 -31.998 1.00 0.00 O
279
+ ATOM 278 CG LEU A 35 -6.491 9.374 -31.385 1.00 0.00 C
280
+ ATOM 279 CD1 LEU A 35 -5.159 9.671 -30.705 1.00 0.00 C
281
+ ATOM 280 CD2 LEU A 35 -7.413 8.600 -30.450 1.00 0.00 C
282
+ ATOM 281 N SER A 36 -8.889 12.350 -34.179 1.00 0.00 N
283
+ ATOM 282 CA SER A 36 -9.332 13.710 -34.467 1.00 0.00 C
284
+ ATOM 283 C SER A 36 -10.800 13.902 -34.102 1.00 0.00 C
285
+ ATOM 284 CB SER A 36 -9.119 14.041 -35.945 1.00 0.00 C
286
+ ATOM 285 O SER A 36 -11.193 14.971 -33.628 1.00 0.00 O
287
+ ATOM 286 OG SER A 36 -7.791 13.748 -36.340 1.00 0.00 O
288
+ ATOM 287 N ALA A 37 -11.500 12.935 -34.480 1.00 0.00 N
289
+ ATOM 288 CA ALA A 37 -12.923 13.087 -34.184 1.00 0.00 C
290
+ ATOM 289 C ALA A 37 -13.148 13.377 -32.703 1.00 0.00 C
291
+ ATOM 290 CB ALA A 37 -13.690 11.835 -34.602 1.00 0.00 C
292
+ ATOM 291 O ALA A 37 -13.945 14.248 -32.349 1.00 0.00 O
293
+ ATOM 292 N ASP A 38 -12.477 12.523 -31.838 1.00 0.00 N
294
+ ATOM 293 CA ASP A 38 -12.644 12.822 -30.419 1.00 0.00 C
295
+ ATOM 294 C ASP A 38 -12.126 14.221 -30.088 1.00 0.00 C
296
+ ATOM 295 CB ASP A 38 -11.926 11.778 -29.562 1.00 0.00 C
297
+ ATOM 296 O ASP A 38 -12.769 14.967 -29.348 1.00 0.00 O
298
+ ATOM 297 CG ASP A 38 -12.672 10.458 -29.487 1.00 0.00 C
299
+ ATOM 298 OD1 ASP A 38 -13.876 10.419 -29.817 1.00 0.00 O
300
+ ATOM 299 OD2 ASP A 38 -12.050 9.450 -29.090 1.00 0.00 O
301
+ ATOM 300 N ILE A 39 -10.976 14.495 -30.645 1.00 0.00 N
302
+ ATOM 301 CA ILE A 39 -10.364 15.776 -30.308 1.00 0.00 C
303
+ ATOM 302 C ILE A 39 -11.154 16.911 -30.955 1.00 0.00 C
304
+ ATOM 303 CB ILE A 39 -8.886 15.831 -30.752 1.00 0.00 C
305
+ ATOM 304 O ILE A 39 -11.369 17.958 -30.337 1.00 0.00 O
306
+ ATOM 305 CG1 ILE A 39 -8.055 14.803 -29.974 1.00 0.00 C
307
+ ATOM 306 CG2 ILE A 39 -8.319 17.242 -30.572 1.00 0.00 C
308
+ ATOM 307 CD1 ILE A 39 -6.637 14.627 -30.500 1.00 0.00 C
309
+ ATOM 308 N SER A 40 -11.538 16.659 -32.253 1.00 0.00 N
310
+ ATOM 309 CA SER A 40 -12.300 17.702 -32.932 1.00 0.00 C
311
+ ATOM 310 C SER A 40 -13.655 17.920 -32.264 1.00 0.00 C
312
+ ATOM 311 CB SER A 40 -12.501 17.348 -34.406 1.00 0.00 C
313
+ ATOM 312 O SER A 40 -14.147 19.048 -32.200 1.00 0.00 O
314
+ ATOM 313 OG SER A 40 -13.310 16.191 -34.540 1.00 0.00 O
315
+ ATOM 314 N GLN A 41 -14.320 16.795 -31.922 1.00 0.00 N
316
+ ATOM 315 CA GLN A 41 -15.601 16.953 -31.240 1.00 0.00 C
317
+ ATOM 316 C GLN A 41 -15.435 17.704 -29.921 1.00 0.00 C
318
+ ATOM 317 CB GLN A 41 -16.248 15.590 -30.990 1.00 0.00 C
319
+ ATOM 318 O GLN A 41 -16.288 18.511 -29.549 1.00 0.00 O
320
+ ATOM 319 CG GLN A 41 -17.769 15.635 -30.919 1.00 0.00 C
321
+ ATOM 320 CD GLN A 41 -18.394 14.254 -30.839 1.00 0.00 C
322
+ ATOM 321 NE2 GLN A 41 -19.719 14.207 -30.776 1.00 0.00 N
323
+ ATOM 322 OE1 GLN A 41 -17.690 13.239 -30.835 1.00 0.00 O
324
+ ATOM 323 N VAL A 42 -14.342 17.416 -29.195 1.00 0.00 N
325
+ ATOM 324 CA VAL A 42 -14.059 18.175 -27.981 1.00 0.00 C
326
+ ATOM 325 C VAL A 42 -13.883 19.652 -28.323 1.00 0.00 C
327
+ ATOM 326 CB VAL A 42 -12.801 17.641 -27.259 1.00 0.00 C
328
+ ATOM 327 O VAL A 42 -14.381 20.525 -27.607 1.00 0.00 O
329
+ ATOM 328 CG1 VAL A 42 -12.434 18.540 -26.079 1.00 0.00 C
330
+ ATOM 329 CG2 VAL A 42 -13.025 16.205 -26.790 1.00 0.00 C
331
+ ATOM 330 N LEU A 43 -13.190 19.920 -29.482 1.00 0.00 N
332
+ ATOM 331 CA LEU A 43 -12.952 21.310 -29.853 1.00 0.00 C
333
+ ATOM 332 C LEU A 43 -14.238 21.975 -30.328 1.00 0.00 C
334
+ ATOM 333 CB LEU A 43 -11.883 21.398 -30.946 1.00 0.00 C
335
+ ATOM 334 O LEU A 43 -14.434 23.176 -30.126 1.00 0.00 O
336
+ ATOM 335 CG LEU A 43 -10.451 21.062 -30.524 1.00 0.00 C
337
+ ATOM 336 CD1 LEU A 43 -9.551 20.953 -31.749 1.00 0.00 C
338
+ ATOM 337 CD2 LEU A 43 -9.919 22.112 -29.554 1.00 0.00 C
339
+ ATOM 338 N LYS A 44 -15.225 21.297 -30.943 1.00 0.00 N
340
+ ATOM 339 CA LYS A 44 -16.425 21.898 -31.520 1.00 0.00 C
341
+ ATOM 340 C LYS A 44 -17.460 22.204 -30.441 1.00 0.00 C
342
+ ATOM 341 CB LYS A 44 -17.030 20.976 -32.580 1.00 0.00 C
343
+ ATOM 342 O LYS A 44 -18.167 23.210 -30.521 1.00 0.00 O
344
+ ATOM 343 CG LYS A 44 -16.270 20.963 -33.897 1.00 0.00 C
345
+ ATOM 344 CD LYS A 44 -16.957 20.082 -34.932 1.00 0.00 C
346
+ ATOM 345 CE LYS A 44 -16.159 20.013 -36.227 1.00 0.00 C
347
+ ATOM 346 NZ LYS A 44 -16.804 19.109 -37.227 1.00 0.00 N
348
+ ATOM 347 N GLU A 45 -17.590 21.293 -29.419 1.00 0.00 N
349
+ ATOM 348 CA GLU A 45 -18.761 21.334 -28.548 1.00 0.00 C
350
+ ATOM 349 C GLU A 45 -18.452 22.059 -27.242 1.00 0.00 C
351
+ ATOM 350 CB GLU A 45 -19.265 19.919 -28.258 1.00 0.00 C
352
+ ATOM 351 O GLU A 45 -19.322 22.195 -26.380 1.00 0.00 O
353
+ ATOM 352 CG GLU A 45 -19.828 19.203 -29.477 1.00 0.00 C
354
+ ATOM 353 CD GLU A 45 -20.427 17.845 -29.153 1.00 0.00 C
355
+ ATOM 354 OE1 GLU A 45 -20.384 17.428 -27.973 1.00 0.00 O
356
+ ATOM 355 OE2 GLU A 45 -20.942 17.190 -30.087 1.00 0.00 O
357
+ ATOM 356 N LYS A 46 -17.419 22.945 -27.302 1.00 0.00 N
358
+ ATOM 357 CA LYS A 46 -17.018 23.646 -26.086 1.00 0.00 C
359
+ ATOM 358 C LYS A 46 -17.042 22.712 -24.879 1.00 0.00 C
360
+ ATOM 359 CB LYS A 46 -17.929 24.849 -25.834 1.00 0.00 C
361
+ ATOM 360 O LYS A 46 -17.401 23.125 -23.775 1.00 0.00 O
362
+ ATOM 361 CG LYS A 46 -17.664 26.030 -26.756 1.00 0.00 C
363
+ ATOM 362 CD LYS A 46 -18.449 27.262 -26.325 1.00 0.00 C
364
+ ATOM 363 CE LYS A 46 -18.198 28.440 -27.259 1.00 0.00 C
365
+ ATOM 364 NZ LYS A 46 -18.969 29.650 -26.843 1.00 0.00 N
366
+ ATOM 365 N ARG A 47 -17.032 21.320 -25.002 1.00 0.00 N
367
+ ATOM 366 CA ARG A 47 -16.881 20.339 -23.932 1.00 0.00 C
368
+ ATOM 367 C ARG A 47 -15.412 20.128 -23.585 1.00 0.00 C
369
+ ATOM 368 CB ARG A 47 -17.522 19.007 -24.331 1.00 0.00 C
370
+ ATOM 369 O ARG A 47 -14.525 20.587 -24.308 1.00 0.00 O
371
+ ATOM 370 CG ARG A 47 -19.042 19.023 -24.309 1.00 0.00 C
372
+ ATOM 371 CD ARG A 47 -19.624 17.638 -24.553 1.00 0.00 C
373
+ ATOM 372 NE ARG A 47 -21.052 17.698 -24.847 1.00 0.00 N
374
+ ATOM 373 NH1 ARG A 47 -21.320 15.411 -25.036 1.00 0.00 N
375
+ ATOM 374 NH2 ARG A 47 -23.114 16.807 -25.330 1.00 0.00 N
376
+ ATOM 375 CZ ARG A 47 -21.826 16.638 -25.071 1.00 0.00 C
377
+ ATOM 376 N SER A 48 -15.328 19.802 -22.179 1.00 0.00 N
378
+ ATOM 377 CA SER A 48 -13.997 19.489 -21.672 1.00 0.00 C
379
+ ATOM 378 C SER A 48 -13.245 18.564 -22.623 1.00 0.00 C
380
+ ATOM 379 CB SER A 48 -14.089 18.846 -20.286 1.00 0.00 C
381
+ ATOM 380 O SER A 48 -13.823 17.616 -23.159 1.00 0.00 O
382
+ ATOM 381 OG SER A 48 -14.619 17.534 -20.376 1.00 0.00 O
383
+ ATOM 382 N ILE A 49 -12.273 19.139 -23.261 1.00 0.00 N
384
+ ATOM 383 CA ILE A 49 -11.336 18.368 -24.069 1.00 0.00 C
385
+ ATOM 384 C ILE A 49 -11.007 17.054 -23.363 1.00 0.00 C
386
+ ATOM 385 CB ILE A 49 -10.042 19.165 -24.348 1.00 0.00 C
387
+ ATOM 386 O ILE A 49 -10.691 17.044 -22.171 1.00 0.00 O
388
+ ATOM 387 CG1 ILE A 49 -10.363 20.452 -25.115 1.00 0.00 C
389
+ ATOM 388 CG2 ILE A 49 -9.034 18.306 -25.117 1.00 0.00 C
390
+ ATOM 389 CD1 ILE A 49 -9.188 21.413 -25.230 1.00 0.00 C
391
+ ATOM 390 N LYS A 50 -11.607 15.849 -23.979 1.00 0.00 N
392
+ ATOM 391 CA LYS A 50 -11.037 14.625 -23.426 1.00 0.00 C
393
+ ATOM 392 C LYS A 50 -9.516 14.718 -23.336 1.00 0.00 C
394
+ ATOM 393 CB LYS A 50 -11.438 13.415 -24.272 1.00 0.00 C
395
+ ATOM 394 O LYS A 50 -8.861 15.185 -24.270 1.00 0.00 O
396
+ ATOM 395 CG LYS A 50 -11.169 12.075 -23.604 1.00 0.00 C
397
+ ATOM 396 CD LYS A 50 -11.920 10.945 -24.296 1.00 0.00 C
398
+ ATOM 397 CE LYS A 50 -11.681 9.609 -23.605 1.00 0.00 C
399
+ ATOM 398 NZ LYS A 50 -12.490 8.515 -24.221 1.00 0.00 N
400
+ ATOM 399 N LYS A 51 -8.964 14.353 -22.116 1.00 0.00 N
401
+ ATOM 400 CA LYS A 51 -7.538 14.531 -21.861 1.00 0.00 C
402
+ ATOM 401 C LYS A 51 -6.804 13.193 -21.885 1.00 0.00 C
403
+ ATOM 402 CB LYS A 51 -7.315 15.226 -20.516 1.00 0.00 C
404
+ ATOM 403 O LYS A 51 -5.572 13.155 -21.942 1.00 0.00 O
405
+ ATOM 404 CG LYS A 51 -7.790 16.671 -20.481 1.00 0.00 C
406
+ ATOM 405 CD LYS A 51 -7.414 17.351 -19.171 1.00 0.00 C
407
+ ATOM 406 CE LYS A 51 -7.831 18.815 -19.159 1.00 0.00 C
408
+ ATOM 407 NZ LYS A 51 -7.394 19.507 -17.910 1.00 0.00 N
409
+ ATOM 408 N VAL A 52 -7.663 12.127 -21.882 1.00 0.00 N
410
+ ATOM 409 CA VAL A 52 -7.020 10.820 -21.796 1.00 0.00 C
411
+ ATOM 410 C VAL A 52 -7.705 9.843 -22.749 1.00 0.00 C
412
+ ATOM 411 CB VAL A 52 -7.049 10.267 -20.353 1.00 0.00 C
413
+ ATOM 412 O VAL A 52 -8.928 9.686 -22.714 1.00 0.00 O
414
+ ATOM 413 CG1 VAL A 52 -6.325 8.925 -20.275 1.00 0.00 C
415
+ ATOM 414 CG2 VAL A 52 -6.427 11.270 -19.385 1.00 0.00 C
416
+ ATOM 415 N TRP A 53 -6.981 9.119 -23.559 1.00 0.00 N
417
+ ATOM 416 CA TRP A 53 -7.445 8.067 -24.457 1.00 0.00 C
418
+ ATOM 417 C TRP A 53 -6.761 6.741 -24.142 1.00 0.00 C
419
+ ATOM 418 CB TRP A 53 -7.187 8.453 -25.917 1.00 0.00 C
420
+ ATOM 419 O TRP A 53 -5.531 6.653 -24.148 1.00 0.00 O
421
+ ATOM 420 CG TRP A 53 -7.927 9.680 -26.361 1.00 0.00 C
422
+ ATOM 421 CD1 TRP A 53 -9.170 9.732 -26.928 1.00 0.00 C
423
+ ATOM 422 CD2 TRP A 53 -7.465 11.031 -26.280 1.00 0.00 C
424
+ ATOM 423 CE2 TRP A 53 -8.482 11.853 -26.816 1.00 0.00 C
425
+ ATOM 424 CE3 TRP A 53 -6.290 11.629 -25.805 1.00 0.00 C
426
+ ATOM 425 NE1 TRP A 53 -9.510 11.036 -27.203 1.00 0.00 N
427
+ ATOM 426 CH2 TRP A 53 -7.199 13.801 -26.418 1.00 0.00 C
428
+ ATOM 427 CZ2 TRP A 53 -8.358 13.242 -26.889 1.00 0.00 C
429
+ ATOM 428 CZ3 TRP A 53 -6.169 13.012 -25.879 1.00 0.00 C
430
+ ATOM 429 N THR A 54 -7.584 5.779 -23.908 1.00 0.00 N
431
+ ATOM 430 CA THR A 54 -7.075 4.466 -23.528 1.00 0.00 C
432
+ ATOM 431 C THR A 54 -7.044 3.529 -24.732 1.00 0.00 C
433
+ ATOM 432 CB THR A 54 -7.926 3.839 -22.409 1.00 0.00 C
434
+ ATOM 433 O THR A 54 -7.929 3.580 -25.588 1.00 0.00 O
435
+ ATOM 434 CG2 THR A 54 -7.884 4.690 -21.143 1.00 0.00 C
436
+ ATOM 435 OG1 THR A 54 -9.285 3.731 -22.853 1.00 0.00 O
437
+ ATOM 436 N PHE A 55 -5.965 2.748 -24.752 1.00 0.00 N
438
+ ATOM 437 CA PHE A 55 -5.723 1.748 -25.786 1.00 0.00 C
439
+ ATOM 438 C PHE A 55 -5.463 0.381 -25.166 1.00 0.00 C
440
+ ATOM 439 CB PHE A 55 -4.539 2.159 -26.666 1.00 0.00 C
441
+ ATOM 440 O PHE A 55 -4.667 0.257 -24.233 1.00 0.00 O
442
+ ATOM 441 CG PHE A 55 -4.765 3.436 -27.431 1.00 0.00 C
443
+ ATOM 442 CD1 PHE A 55 -5.054 3.406 -28.790 1.00 0.00 C
444
+ ATOM 443 CD2 PHE A 55 -4.689 4.665 -26.790 1.00 0.00 C
445
+ ATOM 444 CE1 PHE A 55 -5.264 4.586 -29.500 1.00 0.00 C
446
+ ATOM 445 CE2 PHE A 55 -4.898 5.849 -27.494 1.00 0.00 C
447
+ ATOM 446 CZ PHE A 55 -5.184 5.806 -28.849 1.00 0.00 C
448
+ ATOM 447 N GLY A 56 -6.110 -0.558 -25.630 1.00 0.00 N
449
+ ATOM 448 CA GLY A 56 -5.886 -1.890 -25.090 1.00 0.00 C
450
+ ATOM 449 C GLY A 56 -6.792 -2.942 -25.702 1.00 0.00 C
451
+ ATOM 450 O GLY A 56 -7.353 -2.734 -26.781 1.00 0.00 O
452
+ ATOM 451 N ARG A 57 -6.860 -4.128 -25.024 1.00 0.00 N
453
+ ATOM 452 CA ARG A 57 -7.599 -5.312 -25.449 1.00 0.00 C
454
+ ATOM 453 C ARG A 57 -9.070 -5.209 -25.058 1.00 0.00 C
455
+ ATOM 454 CB ARG A 57 -6.984 -6.576 -24.846 1.00 0.00 C
456
+ ATOM 455 O ARG A 57 -9.941 -5.730 -25.757 1.00 0.00 O
457
+ ATOM 456 CG ARG A 57 -7.690 -7.860 -25.251 1.00 0.00 C
458
+ ATOM 457 CD ARG A 57 -6.925 -9.094 -24.795 1.00 0.00 C
459
+ ATOM 458 NE ARG A 57 -6.854 -9.177 -23.339 1.00 0.00 N
460
+ ATOM 459 NH1 ARG A 57 -5.640 -11.142 -23.303 1.00 0.00 N
461
+ ATOM 460 NH2 ARG A 57 -6.242 -10.125 -21.338 1.00 0.00 N
462
+ ATOM 461 CZ ARG A 57 -6.245 -10.148 -22.663 1.00 0.00 C
463
+ ATOM 462 N ASN A 58 -9.320 -4.604 -23.957 1.00 0.00 N
464
+ ATOM 463 CA ASN A 58 -10.682 -4.443 -23.459 1.00 0.00 C
465
+ ATOM 464 C ASN A 58 -11.535 -3.616 -24.417 1.00 0.00 C
466
+ ATOM 465 CB ASN A 58 -10.673 -3.804 -22.069 1.00 0.00 C
467
+ ATOM 466 O ASN A 58 -11.164 -2.499 -24.779 1.00 0.00 O
468
+ ATOM 467 CG ASN A 58 -12.047 -3.781 -21.428 1.00 0.00 C
469
+ ATOM 468 ND2 ASN A 58 -12.082 -3.824 -20.101 1.00 0.00 N
470
+ ATOM 469 OD1 ASN A 58 -13.067 -3.726 -22.119 1.00 0.00 O
471
+ ATOM 470 N PRO A 59 -12.747 -4.122 -24.816 1.00 0.00 N
472
+ ATOM 471 CA PRO A 59 -13.593 -3.358 -25.736 1.00 0.00 C
473
+ ATOM 472 C PRO A 59 -14.077 -2.041 -25.133 1.00 0.00 C
474
+ ATOM 473 CB PRO A 59 -14.768 -4.302 -26.001 1.00 0.00 C
475
+ ATOM 474 O PRO A 59 -14.562 -1.167 -25.857 1.00 0.00 O
476
+ ATOM 475 CG PRO A 59 -14.261 -5.658 -25.631 1.00 0.00 C
477
+ ATOM 476 CD PRO A 59 -13.201 -5.499 -24.579 1.00 0.00 C
478
+ ATOM 477 N ALA A 60 -13.914 -1.871 -23.866 1.00 0.00 N
479
+ ATOM 478 CA ALA A 60 -14.353 -0.638 -23.218 1.00 0.00 C
480
+ ATOM 479 C ALA A 60 -13.311 0.465 -23.373 1.00 0.00 C
481
+ ATOM 480 CB ALA A 60 -14.642 -0.888 -21.740 1.00 0.00 C
482
+ ATOM 481 O ALA A 60 -13.562 1.619 -23.021 1.00 0.00 O
483
+ ATOM 482 N CYS A 61 -12.069 0.112 -23.848 1.00 0.00 N
484
+ ATOM 483 CA CYS A 61 -11.092 1.152 -24.150 1.00 0.00 C
485
+ ATOM 484 C CYS A 61 -11.624 2.110 -25.209 1.00 0.00 C
486
+ ATOM 485 CB CYS A 61 -9.779 0.531 -24.627 1.00 0.00 C
487
+ ATOM 486 O CYS A 61 -12.473 1.736 -26.020 1.00 0.00 O
488
+ ATOM 487 SG CYS A 61 -8.814 -0.233 -23.305 1.00 0.00 S
489
+ ATOM 488 N ASP A 62 -11.085 3.300 -25.142 1.00 0.00 N
490
+ ATOM 489 CA ASP A 62 -11.427 4.257 -26.190 1.00 0.00 C
491
+ ATOM 490 C ASP A 62 -11.046 3.720 -27.568 1.00 0.00 C
492
+ ATOM 491 CB ASP A 62 -10.737 5.598 -25.938 1.00 0.00 C
493
+ ATOM 492 O ASP A 62 -11.752 3.959 -28.550 1.00 0.00 O
494
+ ATOM 493 CG ASP A 62 -11.175 6.257 -24.642 1.00 0.00 C
495
+ ATOM 494 OD1 ASP A 62 -12.358 6.640 -24.522 1.00 0.00 O
496
+ ATOM 495 OD2 ASP A 62 -10.328 6.397 -23.733 1.00 0.00 O
497
+ ATOM 496 N TYR A 63 -10.032 3.000 -27.534 1.00 0.00 N
498
+ ATOM 497 CA TYR A 63 -9.560 2.375 -28.765 1.00 0.00 C
499
+ ATOM 498 C TYR A 63 -9.224 0.907 -28.536 1.00 0.00 C
500
+ ATOM 499 CB TYR A 63 -8.332 3.114 -29.306 1.00 0.00 C
501
+ ATOM 500 O TYR A 63 -8.220 0.585 -27.897 1.00 0.00 O
502
+ ATOM 501 CG TYR A 63 -8.619 4.531 -29.740 1.00 0.00 C
503
+ ATOM 502 CD1 TYR A 63 -9.032 4.812 -31.040 1.00 0.00 C
504
+ ATOM 503 CD2 TYR A 63 -8.476 5.592 -28.851 1.00 0.00 C
505
+ ATOM 504 CE1 TYR A 63 -9.295 6.117 -31.445 1.00 0.00 C
506
+ ATOM 505 CE2 TYR A 63 -8.736 6.900 -29.245 1.00 0.00 C
507
+ ATOM 506 OH TYR A 63 -9.405 8.445 -30.938 1.00 0.00 O
508
+ ATOM 507 CZ TYR A 63 -9.146 7.152 -30.542 1.00 0.00 C
509
+ ATOM 508 N HIS A 64 -10.009 0.098 -29.047 1.00 0.00 N
510
+ ATOM 509 CA HIS A 64 -9.842 -1.347 -28.937 1.00 0.00 C
511
+ ATOM 510 C HIS A 64 -8.831 -1.864 -29.955 1.00 0.00 C
512
+ ATOM 511 CB HIS A 64 -11.183 -2.058 -29.121 1.00 0.00 C
513
+ ATOM 512 O HIS A 64 -9.008 -1.677 -31.160 1.00 0.00 O
514
+ ATOM 513 CG HIS A 64 -11.088 -3.548 -29.048 1.00 0.00 C
515
+ ATOM 514 CD2 HIS A 64 -10.581 -4.361 -28.092 1.00 0.00 C
516
+ ATOM 515 ND1 HIS A 64 -11.549 -4.373 -30.052 1.00 0.00 N
517
+ ATOM 516 CE1 HIS A 64 -11.330 -5.633 -29.713 1.00 0.00 C
518
+ ATOM 517 NE2 HIS A 64 -10.744 -5.653 -28.528 1.00 0.00 N
519
+ ATOM 518 N LEU A 65 -7.765 -2.412 -29.532 1.00 0.00 N
520
+ ATOM 519 CA LEU A 65 -6.664 -2.816 -30.398 1.00 0.00 C
521
+ ATOM 520 C LEU A 65 -6.837 -4.260 -30.861 1.00 0.00 C
522
+ ATOM 521 CB LEU A 65 -5.325 -2.658 -29.673 1.00 0.00 C
523
+ ATOM 522 O LEU A 65 -6.136 -4.714 -31.768 1.00 0.00 O
524
+ ATOM 523 CG LEU A 65 -4.921 -1.232 -29.298 1.00 0.00 C
525
+ ATOM 524 CD1 LEU A 65 -3.588 -1.234 -28.560 1.00 0.00 C
526
+ ATOM 525 CD2 LEU A 65 -4.848 -0.352 -30.542 1.00 0.00 C
527
+ ATOM 526 N GLY A 66 -7.839 -4.996 -30.302 1.00 0.00 N
528
+ ATOM 527 CA GLY A 66 -8.087 -6.372 -30.698 1.00 0.00 C
529
+ ATOM 528 C GLY A 66 -7.925 -7.360 -29.559 1.00 0.00 C
530
+ ATOM 529 O GLY A 66 -7.487 -6.990 -28.467 1.00 0.00 O
531
+ ATOM 530 N ASN A 67 -8.381 -8.600 -29.892 1.00 0.00 N
532
+ ATOM 531 CA ASN A 67 -8.300 -9.683 -28.917 1.00 0.00 C
533
+ ATOM 532 C ASN A 67 -6.973 -10.429 -29.016 1.00 0.00 C
534
+ ATOM 533 CB ASN A 67 -9.471 -10.653 -29.093 1.00 0.00 C
535
+ ATOM 534 O ASN A 67 -6.931 -11.567 -29.488 1.00 0.00 O
536
+ ATOM 535 CG ASN A 67 -9.708 -11.510 -27.865 1.00 0.00 C
537
+ ATOM 536 ND2 ASN A 67 -10.467 -12.586 -28.031 1.00 0.00 N
538
+ ATOM 537 OD1 ASN A 67 -9.215 -11.205 -26.776 1.00 0.00 O
539
+ ATOM 538 N ILE A 68 -5.935 -9.717 -28.712 1.00 0.00 N
540
+ ATOM 539 CA ILE A 68 -4.590 -10.281 -28.665 1.00 0.00 C
541
+ ATOM 540 C ILE A 68 -4.216 -10.602 -27.220 1.00 0.00 C
542
+ ATOM 541 CB ILE A 68 -3.553 -9.320 -29.287 1.00 0.00 C
543
+ ATOM 542 O ILE A 68 -4.257 -9.727 -26.352 1.00 0.00 O
544
+ ATOM 543 CG1 ILE A 68 -3.950 -8.962 -30.724 1.00 0.00 C
545
+ ATOM 544 CG2 ILE A 68 -2.152 -9.936 -29.242 1.00 0.00 C
546
+ ATOM 545 CD1 ILE A 68 -3.203 -7.763 -31.291 1.00 0.00 C
547
+ ATOM 546 N SER A 69 -3.968 -11.900 -26.895 1.00 0.00 N
548
+ ATOM 547 CA SER A 69 -3.834 -12.393 -25.527 1.00 0.00 C
549
+ ATOM 548 C SER A 69 -2.736 -11.648 -24.777 1.00 0.00 C
550
+ ATOM 549 CB SER A 69 -3.537 -13.893 -25.524 1.00 0.00 C
551
+ ATOM 550 O SER A 69 -2.843 -11.424 -23.569 1.00 0.00 O
552
+ ATOM 551 OG SER A 69 -2.268 -14.156 -26.098 1.00 0.00 O
553
+ ATOM 552 N ARG A 70 -1.701 -11.214 -25.346 1.00 0.00 N
554
+ ATOM 553 CA ARG A 70 -0.587 -10.594 -24.635 1.00 0.00 C
555
+ ATOM 554 C ARG A 70 -0.772 -9.085 -24.536 1.00 0.00 C
556
+ ATOM 555 CB ARG A 70 0.739 -10.917 -25.329 1.00 0.00 C
557
+ ATOM 556 O ARG A 70 0.063 -8.389 -23.952 1.00 0.00 O
558
+ ATOM 557 CG ARG A 70 1.165 -12.370 -25.199 1.00 0.00 C
559
+ ATOM 558 CD ARG A 70 2.642 -12.555 -25.518 1.00 0.00 C
560
+ ATOM 559 NE ARG A 70 3.102 -13.900 -25.182 1.00 0.00 N
561
+ ATOM 560 NH1 ARG A 70 5.112 -13.717 -26.305 1.00 0.00 N
562
+ ATOM 561 NH2 ARG A 70 4.582 -15.655 -25.202 1.00 0.00 N
563
+ ATOM 562 CZ ARG A 70 4.265 -14.420 -25.564 1.00 0.00 C
564
+ ATOM 563 N LEU A 71 -1.795 -8.566 -25.173 1.00 0.00 N
565
+ ATOM 564 CA LEU A 71 -2.206 -7.183 -24.960 1.00 0.00 C
566
+ ATOM 565 C LEU A 71 -2.962 -7.038 -23.644 1.00 0.00 C
567
+ ATOM 566 CB LEU A 71 -3.079 -6.698 -26.120 1.00 0.00 C
568
+ ATOM 567 O LEU A 71 -3.836 -7.850 -23.332 1.00 0.00 O
569
+ ATOM 568 CG LEU A 71 -3.264 -5.184 -26.243 1.00 0.00 C
570
+ ATOM 569 CD1 LEU A 71 -1.948 -4.521 -26.636 1.00 0.00 C
571
+ ATOM 570 CD2 LEU A 71 -4.355 -4.860 -27.258 1.00 0.00 C
572
+ ATOM 571 N SER A 72 -2.577 -6.093 -22.860 1.00 0.00 N
573
+ ATOM 572 CA SER A 72 -3.277 -5.831 -21.607 1.00 0.00 C
574
+ ATOM 573 C SER A 72 -4.671 -5.267 -21.861 1.00 0.00 C
575
+ ATOM 574 CB SER A 72 -2.476 -4.861 -20.738 1.00 0.00 C
576
+ ATOM 575 O SER A 72 -4.930 -4.690 -22.920 1.00 0.00 O
577
+ ATOM 576 OG SER A 72 -1.270 -5.460 -20.297 1.00 0.00 O
578
+ ATOM 577 N ASN A 73 -5.574 -5.453 -20.836 1.00 0.00 N
579
+ ATOM 578 CA ASN A 73 -6.912 -4.882 -20.949 1.00 0.00 C
580
+ ATOM 579 C ASN A 73 -6.860 -3.385 -21.241 1.00 0.00 C
581
+ ATOM 580 CB ASN A 73 -7.718 -5.148 -19.676 1.00 0.00 C
582
+ ATOM 581 O ASN A 73 -7.529 -2.904 -22.157 1.00 0.00 O
583
+ ATOM 582 CG ASN A 73 -8.274 -6.557 -19.619 1.00 0.00 C
584
+ ATOM 583 ND2 ASN A 73 -8.286 -7.142 -18.427 1.00 0.00 N
585
+ ATOM 584 OD1 ASN A 73 -8.685 -7.116 -20.639 1.00 0.00 O
586
+ ATOM 585 N LYS A 74 -6.202 -2.586 -20.469 1.00 0.00 N
587
+ ATOM 586 CA LYS A 74 -5.709 -1.243 -20.758 1.00 0.00 C
588
+ ATOM 587 C LYS A 74 -4.189 -1.232 -20.893 1.00 0.00 C
589
+ ATOM 588 CB LYS A 74 -6.146 -0.263 -19.668 1.00 0.00 C
590
+ ATOM 589 O LYS A 74 -3.472 -1.419 -19.907 1.00 0.00 O
591
+ ATOM 590 CG LYS A 74 -7.653 -0.075 -19.572 1.00 0.00 C
592
+ ATOM 591 CD LYS A 74 -8.023 0.932 -18.492 1.00 0.00 C
593
+ ATOM 592 CE LYS A 74 -9.533 1.072 -18.350 1.00 0.00 C
594
+ ATOM 593 NZ LYS A 74 -9.901 2.009 -17.247 1.00 0.00 N
595
+ ATOM 594 N HIS A 75 -3.707 -1.109 -22.145 1.00 0.00 N
596
+ ATOM 595 CA HIS A 75 -2.288 -1.310 -22.421 1.00 0.00 C
597
+ ATOM 596 C HIS A 75 -1.509 -0.007 -22.278 1.00 0.00 C
598
+ ATOM 597 CB HIS A 75 -2.092 -1.888 -23.823 1.00 0.00 C
599
+ ATOM 598 O HIS A 75 -0.466 0.030 -21.620 1.00 0.00 O
600
+ ATOM 599 CG HIS A 75 -0.722 -2.440 -24.059 1.00 0.00 C
601
+ ATOM 600 CD2 HIS A 75 0.443 -1.825 -24.368 1.00 0.00 C
602
+ ATOM 601 ND1 HIS A 75 -0.441 -3.787 -23.986 1.00 0.00 N
603
+ ATOM 602 CE1 HIS A 75 0.843 -3.977 -24.240 1.00 0.00 C
604
+ ATOM 603 NE2 HIS A 75 1.402 -2.803 -24.476 1.00 0.00 N
605
+ ATOM 604 N PHE A 76 -1.947 1.068 -22.842 1.00 0.00 N
606
+ ATOM 605 CA PHE A 76 -1.362 2.394 -22.679 1.00 0.00 C
607
+ ATOM 606 C PHE A 76 -2.423 3.477 -22.836 1.00 0.00 C
608
+ ATOM 607 CB PHE A 76 -0.235 2.613 -23.693 1.00 0.00 C
609
+ ATOM 608 O PHE A 76 -3.561 3.189 -23.213 1.00 0.00 O
610
+ ATOM 609 CG PHE A 76 -0.709 2.694 -25.120 1.00 0.00 C
611
+ ATOM 610 CD1 PHE A 76 -0.818 1.547 -25.897 1.00 0.00 C
612
+ ATOM 611 CD2 PHE A 76 -1.045 3.918 -25.684 1.00 0.00 C
613
+ ATOM 612 CE1 PHE A 76 -1.256 1.619 -27.216 1.00 0.00 C
614
+ ATOM 613 CE2 PHE A 76 -1.484 3.998 -27.002 1.00 0.00 C
615
+ ATOM 614 CZ PHE A 76 -1.588 2.847 -27.767 1.00 0.00 C
616
+ ATOM 615 N GLN A 77 -2.098 4.632 -22.545 1.00 0.00 N
617
+ ATOM 616 CA GLN A 77 -2.960 5.796 -22.727 1.00 0.00 C
618
+ ATOM 617 C GLN A 77 -2.192 6.957 -23.351 1.00 0.00 C
619
+ ATOM 618 CB GLN A 77 -3.570 6.226 -21.392 1.00 0.00 C
620
+ ATOM 619 O GLN A 77 -0.976 7.066 -23.182 1.00 0.00 O
621
+ ATOM 620 CG GLN A 77 -4.255 5.094 -20.636 1.00 0.00 C
622
+ ATOM 621 CD GLN A 77 -4.683 5.499 -19.238 1.00 0.00 C
623
+ ATOM 622 NE2 GLN A 77 -5.732 4.860 -18.732 1.00 0.00 N
624
+ ATOM 623 OE1 GLN A 77 -4.076 6.377 -18.617 1.00 0.00 O
625
+ ATOM 624 N ILE A 78 -2.850 7.687 -24.068 1.00 0.00 N
626
+ ATOM 625 CA ILE A 78 -2.370 8.973 -24.560 1.00 0.00 C
627
+ ATOM 626 C ILE A 78 -3.087 10.107 -23.831 1.00 0.00 C
628
+ ATOM 627 CB ILE A 78 -2.571 9.106 -26.087 1.00 0.00 C
629
+ ATOM 628 O ILE A 78 -4.318 10.115 -23.740 1.00 0.00 O
630
+ ATOM 629 CG1 ILE A 78 -1.724 8.067 -26.830 1.00 0.00 C
631
+ ATOM 630 CG2 ILE A 78 -2.233 10.525 -26.555 1.00 0.00 C
632
+ ATOM 631 CD1 ILE A 78 -1.957 8.040 -28.334 1.00 0.00 C
633
+ ATOM 632 N LEU A 79 -2.234 10.988 -23.285 1.00 0.00 N
634
+ ATOM 633 CA LEU A 79 -2.741 12.111 -22.505 1.00 0.00 C
635
+ ATOM 634 C LEU A 79 -2.504 13.430 -23.234 1.00 0.00 C
636
+ ATOM 635 CB LEU A 79 -2.077 12.150 -21.127 1.00 0.00 C
637
+ ATOM 636 O LEU A 79 -1.479 13.603 -23.897 1.00 0.00 O
638
+ ATOM 637 CG LEU A 79 -2.152 10.864 -20.301 1.00 0.00 C
639
+ ATOM 638 CD1 LEU A 79 -0.831 10.107 -20.379 1.00 0.00 C
640
+ ATOM 639 CD2 LEU A 79 -2.511 11.179 -18.853 1.00 0.00 C
641
+ ATOM 640 N LEU A 80 -3.498 14.284 -23.127 1.00 0.00 N
642
+ ATOM 641 CA LEU A 80 -3.318 15.670 -23.548 1.00 0.00 C
643
+ ATOM 642 C LEU A 80 -2.860 16.536 -22.379 1.00 0.00 C
644
+ ATOM 643 CB LEU A 80 -4.619 16.227 -24.131 1.00 0.00 C
645
+ ATOM 644 O LEU A 80 -3.581 16.685 -21.390 1.00 0.00 O
646
+ ATOM 645 CG LEU A 80 -4.562 17.654 -24.676 1.00 0.00 C
647
+ ATOM 646 CD1 LEU A 80 -3.602 17.732 -25.859 1.00 0.00 C
648
+ ATOM 647 CD2 LEU A 80 -5.954 18.130 -25.078 1.00 0.00 C
649
+ ATOM 648 N GLY A 81 -1.596 16.990 -22.471 1.00 0.00 N
650
+ ATOM 649 CA GLY A 81 -1.041 17.847 -21.435 1.00 0.00 C
651
+ ATOM 650 C GLY A 81 -1.607 19.255 -21.459 1.00 0.00 C
652
+ ATOM 651 O GLY A 81 -2.320 19.627 -22.393 1.00 0.00 O
653
+ ATOM 652 N GLU A 82 -1.345 19.992 -20.377 1.00 0.00 N
654
+ ATOM 653 CA GLU A 82 -1.839 21.362 -20.264 1.00 0.00 C
655
+ ATOM 654 C GLU A 82 -1.257 22.250 -21.360 1.00 0.00 C
656
+ ATOM 655 CB GLU A 82 -1.510 21.942 -18.887 1.00 0.00 C
657
+ ATOM 656 O GLU A 82 -1.914 23.184 -21.824 1.00 0.00 O
658
+ ATOM 657 CG GLU A 82 -2.297 21.308 -17.749 1.00 0.00 C
659
+ ATOM 658 CD GLU A 82 -2.050 21.974 -16.405 1.00 0.00 C
660
+ ATOM 659 OE1 GLU A 82 -1.170 22.862 -16.320 1.00 0.00 O
661
+ ATOM 660 OE2 GLU A 82 -2.739 21.604 -15.427 1.00 0.00 O
662
+ ATOM 661 N ASP A 83 -0.066 21.938 -21.828 1.00 0.00 N
663
+ ATOM 662 CA ASP A 83 0.609 22.736 -22.848 1.00 0.00 C
664
+ ATOM 663 C ASP A 83 0.200 22.294 -24.251 1.00 0.00 C
665
+ ATOM 664 CB ASP A 83 2.127 22.639 -22.687 1.00 0.00 C
666
+ ATOM 665 O ASP A 83 0.765 22.759 -25.243 1.00 0.00 O
667
+ ATOM 666 CG ASP A 83 2.638 21.209 -22.727 1.00 0.00 C
668
+ ATOM 667 OD1 ASP A 83 1.821 20.274 -22.869 1.00 0.00 O
669
+ ATOM 668 OD2 ASP A 83 3.867 21.016 -22.612 1.00 0.00 O
670
+ ATOM 669 N GLY A 84 -0.768 21.374 -24.284 1.00 0.00 N
671
+ ATOM 670 CA GLY A 84 -1.252 20.903 -25.572 1.00 0.00 C
672
+ ATOM 671 C GLY A 84 -0.423 19.767 -26.142 1.00 0.00 C
673
+ ATOM 672 O GLY A 84 -0.652 19.330 -27.271 1.00 0.00 O
674
+ ATOM 673 N ASN A 85 0.500 19.369 -25.402 1.00 0.00 N
675
+ ATOM 674 CA ASN A 85 1.325 18.251 -25.847 1.00 0.00 C
676
+ ATOM 675 C ASN A 85 0.645 16.911 -25.580 1.00 0.00 C
677
+ ATOM 676 CB ASN A 85 2.697 18.293 -25.171 1.00 0.00 C
678
+ ATOM 677 O ASN A 85 -0.103 16.772 -24.610 1.00 0.00 O
679
+ ATOM 678 CG ASN A 85 3.555 19.444 -25.662 1.00 0.00 C
680
+ ATOM 679 ND2 ASN A 85 4.371 19.996 -24.773 1.00 0.00 N
681
+ ATOM 680 OD1 ASN A 85 3.484 19.832 -26.831 1.00 0.00 O
682
+ ATOM 681 N LEU A 86 0.896 15.986 -26.439 1.00 0.00 N
683
+ ATOM 682 CA LEU A 86 0.431 14.624 -26.209 1.00 0.00 C
684
+ ATOM 683 C LEU A 86 1.505 13.794 -25.514 1.00 0.00 C
685
+ ATOM 684 CB LEU A 86 0.035 13.961 -27.532 1.00 0.00 C
686
+ ATOM 685 O LEU A 86 2.686 13.889 -25.853 1.00 0.00 O
687
+ ATOM 686 CG LEU A 86 -1.161 14.572 -28.263 1.00 0.00 C
688
+ ATOM 687 CD1 LEU A 86 -1.386 13.863 -29.595 1.00 0.00 C
689
+ ATOM 688 CD2 LEU A 86 -2.413 14.500 -27.395 1.00 0.00 C
690
+ ATOM 689 N LEU A 87 1.071 13.065 -24.515 1.00 0.00 N
691
+ ATOM 690 CA LEU A 87 1.961 12.215 -23.732 1.00 0.00 C
692
+ ATOM 691 C LEU A 87 1.535 10.754 -23.822 1.00 0.00 C
693
+ ATOM 692 CB LEU A 87 1.980 12.663 -22.268 1.00 0.00 C
694
+ ATOM 693 O LEU A 87 0.341 10.448 -23.795 1.00 0.00 O
695
+ ATOM 694 CG LEU A 87 2.279 14.142 -22.016 1.00 0.00 C
696
+ ATOM 695 CD1 LEU A 87 1.974 14.505 -20.566 1.00 0.00 C
697
+ ATOM 696 CD2 LEU A 87 3.731 14.461 -22.358 1.00 0.00 C
698
+ ATOM 697 N LEU A 88 2.508 9.927 -23.933 1.00 0.00 N
699
+ ATOM 698 CA LEU A 88 2.310 8.483 -23.879 1.00 0.00 C
700
+ ATOM 699 C LEU A 88 2.562 7.952 -22.471 1.00 0.00 C
701
+ ATOM 700 CB LEU A 88 3.232 7.777 -24.876 1.00 0.00 C
702
+ ATOM 701 O LEU A 88 3.586 8.266 -21.859 1.00 0.00 O
703
+ ATOM 702 CG LEU A 88 3.203 6.248 -24.860 1.00 0.00 C
704
+ ATOM 703 CD1 LEU A 88 1.841 5.739 -25.318 1.00 0.00 C
705
+ ATOM 704 CD2 LEU A 88 4.314 5.683 -25.739 1.00 0.00 C
706
+ ATOM 705 N ASN A 89 1.644 7.232 -21.978 1.00 0.00 N
707
+ ATOM 706 CA ASN A 89 1.741 6.598 -20.666 1.00 0.00 C
708
+ ATOM 707 C ASN A 89 1.488 5.095 -20.748 1.00 0.00 C
709
+ ATOM 708 CB ASN A 89 0.764 7.248 -19.684 1.00 0.00 C
710
+ ATOM 709 O ASN A 89 0.382 4.666 -21.080 1.00 0.00 O
711
+ ATOM 710 CG ASN A 89 0.903 6.702 -18.276 1.00 0.00 C
712
+ ATOM 711 ND2 ASN A 89 1.664 7.401 -17.441 1.00 0.00 N
713
+ ATOM 712 OD1 ASN A 89 0.331 5.661 -17.942 1.00 0.00 O
714
+ ATOM 713 N ASP A 90 2.491 4.317 -20.447 1.00 0.00 N
715
+ ATOM 714 CA ASP A 90 2.378 2.861 -20.450 1.00 0.00 C
716
+ ATOM 715 C ASP A 90 1.773 2.355 -19.142 1.00 0.00 C
717
+ ATOM 716 CB ASP A 90 3.747 2.218 -20.680 1.00 0.00 C
718
+ ATOM 717 O ASP A 90 2.251 2.696 -18.058 1.00 0.00 O
719
+ ATOM 718 CG ASP A 90 3.705 0.700 -20.629 1.00 0.00 C
720
+ ATOM 719 OD1 ASP A 90 2.736 0.100 -21.141 1.00 0.00 O
721
+ ATOM 720 OD2 ASP A 90 4.649 0.101 -20.069 1.00 0.00 O
722
+ ATOM 721 N ILE A 91 0.721 1.535 -19.307 1.00 0.00 N
723
+ ATOM 722 CA ILE A 91 0.133 0.928 -18.118 1.00 0.00 C
724
+ ATOM 723 C ILE A 91 -0.042 -0.574 -18.339 1.00 0.00 C
725
+ ATOM 724 CB ILE A 91 -1.222 1.578 -17.762 1.00 0.00 C
726
+ ATOM 725 O ILE A 91 -0.896 -1.204 -17.710 1.00 0.00 O
727
+ ATOM 726 CG1 ILE A 91 -2.154 1.573 -18.979 1.00 0.00 C
728
+ ATOM 727 CG2 ILE A 91 -1.016 3.002 -17.236 1.00 0.00 C
729
+ ATOM 728 CD1 ILE A 91 -3.588 1.976 -18.664 1.00 0.00 C
730
+ ATOM 729 N SER A 92 0.724 -1.149 -19.187 1.00 0.00 N
731
+ ATOM 730 CA SER A 92 0.602 -2.554 -19.561 1.00 0.00 C
732
+ ATOM 731 C SER A 92 1.432 -3.445 -18.641 1.00 0.00 C
733
+ ATOM 732 CB SER A 92 1.036 -2.763 -21.012 1.00 0.00 C
734
+ ATOM 733 O SER A 92 2.272 -2.954 -17.885 1.00 0.00 O
735
+ ATOM 734 OG SER A 92 2.430 -2.549 -21.156 1.00 0.00 O
736
+ ATOM 735 N THR A 93 1.232 -4.698 -18.758 1.00 0.00 N
737
+ ATOM 736 CA THR A 93 2.055 -5.705 -18.098 1.00 0.00 C
738
+ ATOM 737 C THR A 93 3.311 -5.996 -18.916 1.00 0.00 C
739
+ ATOM 738 CB THR A 93 1.271 -7.011 -17.877 1.00 0.00 C
740
+ ATOM 739 O THR A 93 4.415 -6.054 -18.368 1.00 0.00 O
741
+ ATOM 740 CG2 THR A 93 2.117 -8.044 -17.141 1.00 0.00 C
742
+ ATOM 741 OG1 THR A 93 0.098 -6.731 -17.102 1.00 0.00 O
743
+ ATOM 742 N ASN A 94 3.146 -6.030 -20.247 1.00 0.00 N
744
+ ATOM 743 CA ASN A 94 4.215 -6.547 -21.094 1.00 0.00 C
745
+ ATOM 744 C ASN A 94 4.991 -5.418 -21.769 1.00 0.00 C
746
+ ATOM 745 CB ASN A 94 3.652 -7.505 -22.146 1.00 0.00 C
747
+ ATOM 746 O ASN A 94 5.951 -5.669 -22.499 1.00 0.00 O
748
+ ATOM 747 CG ASN A 94 3.145 -8.801 -21.543 1.00 0.00 C
749
+ ATOM 748 ND2 ASN A 94 2.000 -9.271 -22.024 1.00 0.00 N
750
+ ATOM 749 OD1 ASN A 94 3.778 -9.373 -20.653 1.00 0.00 O
751
+ ATOM 750 N GLY A 95 4.523 -4.151 -21.564 1.00 0.00 N
752
+ ATOM 751 CA GLY A 95 5.332 -3.020 -21.986 1.00 0.00 C
753
+ ATOM 752 C GLY A 95 4.846 -2.387 -23.276 1.00 0.00 C
754
+ ATOM 753 O GLY A 95 4.104 -3.010 -24.039 1.00 0.00 O
755
+ ATOM 754 N THR A 96 5.254 -1.209 -23.542 1.00 0.00 N
756
+ ATOM 755 CA THR A 96 5.038 -0.370 -24.715 1.00 0.00 C
757
+ ATOM 756 C THR A 96 6.356 0.218 -25.211 1.00 0.00 C
758
+ ATOM 757 CB THR A 96 4.046 0.768 -24.414 1.00 0.00 C
759
+ ATOM 758 O THR A 96 7.224 0.571 -24.409 1.00 0.00 O
760
+ ATOM 759 CG2 THR A 96 3.739 1.578 -25.669 1.00 0.00 C
761
+ ATOM 760 OG1 THR A 96 2.827 0.210 -23.909 1.00 0.00 O
762
+ ATOM 761 N TRP A 97 6.592 0.305 -26.459 1.00 0.00 N
763
+ ATOM 762 CA TRP A 97 7.813 0.855 -27.038 1.00 0.00 C
764
+ ATOM 763 C TRP A 97 7.510 2.098 -27.867 1.00 0.00 C
765
+ ATOM 764 CB TRP A 97 8.517 -0.194 -27.905 1.00 0.00 C
766
+ ATOM 765 O TRP A 97 6.538 2.125 -28.626 1.00 0.00 O
767
+ ATOM 766 CG TRP A 97 9.061 -1.357 -27.132 1.00 0.00 C
768
+ ATOM 767 CD1 TRP A 97 10.373 -1.619 -26.852 1.00 0.00 C
769
+ ATOM 768 CD2 TRP A 97 8.306 -2.420 -26.543 1.00 0.00 C
770
+ ATOM 769 CE2 TRP A 97 9.226 -3.292 -25.921 1.00 0.00 C
771
+ ATOM 770 CE3 TRP A 97 6.939 -2.720 -26.481 1.00 0.00 C
772
+ ATOM 771 NE1 TRP A 97 10.479 -2.781 -26.124 1.00 0.00 N
773
+ ATOM 772 CH2 TRP A 97 7.479 -4.715 -25.198 1.00 0.00 C
774
+ ATOM 773 CZ2 TRP A 97 8.821 -4.445 -25.244 1.00 0.00 C
775
+ ATOM 774 CZ3 TRP A 97 6.538 -3.868 -25.807 1.00 0.00 C
776
+ ATOM 775 N LEU A 98 8.289 3.104 -27.676 1.00 0.00 N
777
+ ATOM 776 CA LEU A 98 8.249 4.335 -28.458 1.00 0.00 C
778
+ ATOM 777 C LEU A 98 9.503 4.475 -29.314 1.00 0.00 C
779
+ ATOM 778 CB LEU A 98 8.107 5.551 -27.537 1.00 0.00 C
780
+ ATOM 779 O LEU A 98 10.611 4.595 -28.786 1.00 0.00 O
781
+ ATOM 780 CG LEU A 98 7.975 6.911 -28.226 1.00 0.00 C
782
+ ATOM 781 CD1 LEU A 98 6.711 6.952 -29.078 1.00 0.00 C
783
+ ATOM 782 CD2 LEU A 98 7.970 8.033 -27.196 1.00 0.00 C
784
+ ATOM 783 N ASN A 99 9.326 4.386 -30.606 1.00 0.00 N
785
+ ATOM 784 CA ASN A 99 10.455 4.441 -31.528 1.00 0.00 C
786
+ ATOM 785 C ASN A 99 11.524 3.414 -31.168 1.00 0.00 C
787
+ ATOM 786 CB ASN A 99 11.057 5.848 -31.556 1.00 0.00 C
788
+ ATOM 787 O ASN A 99 12.717 3.727 -31.168 1.00 0.00 O
789
+ ATOM 788 CG ASN A 99 10.047 6.908 -31.948 1.00 0.00 C
790
+ ATOM 789 ND2 ASN A 99 10.166 8.089 -31.352 1.00 0.00 N
791
+ ATOM 790 OD1 ASN A 99 9.167 6.668 -32.779 1.00 0.00 O
792
+ ATOM 791 N GLY A 100 11.129 2.305 -30.796 1.00 0.00 N
793
+ ATOM 792 CA GLY A 100 12.044 1.201 -30.553 1.00 0.00 C
794
+ ATOM 793 C GLY A 100 12.557 1.156 -29.126 1.00 0.00 C
795
+ ATOM 794 O GLY A 100 13.295 0.240 -28.755 1.00 0.00 O
796
+ ATOM 795 N GLN A 101 12.251 2.120 -28.319 1.00 0.00 N
797
+ ATOM 796 CA GLN A 101 12.701 2.166 -26.932 1.00 0.00 C
798
+ ATOM 797 C GLN A 101 11.552 1.871 -25.972 1.00 0.00 C
799
+ ATOM 798 CB GLN A 101 13.317 3.529 -26.612 1.00 0.00 C
800
+ ATOM 799 O GLN A 101 10.480 2.471 -26.077 1.00 0.00 O
801
+ ATOM 800 CG GLN A 101 14.570 3.842 -27.417 1.00 0.00 C
802
+ ATOM 801 CD GLN A 101 15.245 5.128 -26.976 1.00 0.00 C
803
+ ATOM 802 NE2 GLN A 101 16.429 5.391 -27.518 1.00 0.00 N
804
+ ATOM 803 OE1 GLN A 101 14.705 5.878 -26.157 1.00 0.00 O
805
+ ATOM 804 N LYS A 102 11.826 0.956 -25.061 1.00 0.00 N
806
+ ATOM 805 CA LYS A 102 10.800 0.606 -24.085 1.00 0.00 C
807
+ ATOM 806 C LYS A 102 10.439 1.805 -23.211 1.00 0.00 C
808
+ ATOM 807 CB LYS A 102 11.266 -0.558 -23.209 1.00 0.00 C
809
+ ATOM 808 O LYS A 102 11.323 2.497 -22.703 1.00 0.00 O
810
+ ATOM 809 CG LYS A 102 10.159 -1.187 -22.375 1.00 0.00 C
811
+ ATOM 810 CD LYS A 102 10.653 -2.421 -21.630 1.00 0.00 C
812
+ ATOM 811 CE LYS A 102 9.522 -3.114 -20.883 1.00 0.00 C
813
+ ATOM 812 NZ LYS A 102 9.989 -4.360 -20.202 1.00 0.00 N
814
+ ATOM 813 N VAL A 103 9.243 2.064 -23.052 1.00 0.00 N
815
+ ATOM 814 CA VAL A 103 8.730 3.151 -22.224 1.00 0.00 C
816
+ ATOM 815 C VAL A 103 8.663 2.702 -20.766 1.00 0.00 C
817
+ ATOM 816 CB VAL A 103 7.338 3.620 -22.702 1.00 0.00 C
818
+ ATOM 817 O VAL A 103 8.218 1.590 -20.472 1.00 0.00 O
819
+ ATOM 818 CG1 VAL A 103 6.776 4.688 -21.765 1.00 0.00 C
820
+ ATOM 819 CG2 VAL A 103 7.415 4.148 -24.134 1.00 0.00 C
821
+ ATOM 820 N GLU A 104 9.182 3.487 -19.886 1.00 0.00 N
822
+ ATOM 821 CA GLU A 104 9.054 3.216 -18.456 1.00 0.00 C
823
+ ATOM 822 C GLU A 104 7.592 3.216 -18.023 1.00 0.00 C
824
+ ATOM 823 CB GLU A 104 9.845 4.243 -17.642 1.00 0.00 C
825
+ ATOM 824 O GLU A 104 6.843 4.139 -18.349 1.00 0.00 O
826
+ ATOM 825 CG GLU A 104 9.915 3.926 -16.154 1.00 0.00 C
827
+ ATOM 826 CD GLU A 104 10.698 4.957 -15.358 1.00 0.00 C
828
+ ATOM 827 OE1 GLU A 104 11.290 5.876 -15.969 1.00 0.00 O
829
+ ATOM 828 OE2 GLU A 104 10.722 4.843 -14.112 1.00 0.00 O
830
+ ATOM 829 N LYS A 105 7.242 2.230 -17.322 1.00 0.00 N
831
+ ATOM 830 CA LYS A 105 5.863 2.078 -16.866 1.00 0.00 C
832
+ ATOM 831 C LYS A 105 5.430 3.271 -16.019 1.00 0.00 C
833
+ ATOM 832 CB LYS A 105 5.702 0.784 -16.066 1.00 0.00 C
834
+ ATOM 833 O LYS A 105 6.192 3.753 -15.179 1.00 0.00 O
835
+ ATOM 834 CG LYS A 105 4.256 0.424 -15.756 1.00 0.00 C
836
+ ATOM 835 CD LYS A 105 4.138 -0.991 -15.205 1.00 0.00 C
837
+ ATOM 836 CE LYS A 105 2.687 -1.370 -14.941 1.00 0.00 C
838
+ ATOM 837 NZ LYS A 105 2.553 -2.801 -14.536 1.00 0.00 N
839
+ ATOM 838 N ASN A 106 4.226 3.780 -16.230 1.00 0.00 N
840
+ ATOM 839 CA ASN A 106 3.571 4.851 -15.487 1.00 0.00 C
841
+ ATOM 840 C ASN A 106 4.354 6.158 -15.580 1.00 0.00 C
842
+ ATOM 841 CB ASN A 106 3.381 4.449 -14.022 1.00 0.00 C
843
+ ATOM 842 O ASN A 106 4.302 6.984 -14.667 1.00 0.00 O
844
+ ATOM 843 CG ASN A 106 2.377 3.326 -13.851 1.00 0.00 C
845
+ ATOM 844 ND2 ASN A 106 2.665 2.408 -12.936 1.00 0.00 N
846
+ ATOM 845 OD1 ASN A 106 1.352 3.283 -14.536 1.00 0.00 O
847
+ ATOM 846 N SER A 107 5.064 6.241 -16.631 1.00 0.00 N
848
+ ATOM 847 CA SER A 107 5.749 7.498 -16.915 1.00 0.00 C
849
+ ATOM 848 C SER A 107 5.194 8.159 -18.173 1.00 0.00 C
850
+ ATOM 849 CB SER A 107 7.252 7.265 -17.072 1.00 0.00 C
851
+ ATOM 850 O SER A 107 4.612 7.489 -19.027 1.00 0.00 O
852
+ ATOM 851 OG SER A 107 7.543 6.694 -18.337 1.00 0.00 O
853
+ ATOM 852 N ASN A 108 5.330 9.405 -18.218 1.00 0.00 N
854
+ ATOM 853 CA ASN A 108 4.843 10.169 -19.361 1.00 0.00 C
855
+ ATOM 854 C ASN A 108 5.966 10.480 -20.347 1.00 0.00 C
856
+ ATOM 855 CB ASN A 108 4.171 11.461 -18.897 1.00 0.00 C
857
+ ATOM 856 O ASN A 108 7.011 11.006 -19.959 1.00 0.00 O
858
+ ATOM 857 CG ASN A 108 2.870 11.212 -18.159 1.00 0.00 C
859
+ ATOM 858 ND2 ASN A 108 2.467 12.165 -17.329 1.00 0.00 N
860
+ ATOM 859 OD1 ASN A 108 2.234 10.169 -18.333 1.00 0.00 O
861
+ ATOM 860 N GLN A 109 5.718 10.120 -21.547 1.00 0.00 N
862
+ ATOM 861 CA GLN A 109 6.653 10.419 -22.626 1.00 0.00 C
863
+ ATOM 862 C GLN A 109 6.022 11.349 -23.659 1.00 0.00 C
864
+ ATOM 863 CB GLN A 109 7.127 9.131 -23.299 1.00 0.00 C
865
+ ATOM 864 O GLN A 109 4.917 11.089 -24.142 1.00 0.00 O
866
+ ATOM 865 CG GLN A 109 7.825 8.163 -22.353 1.00 0.00 C
867
+ ATOM 866 CD GLN A 109 9.142 8.702 -21.828 1.00 0.00 C
868
+ ATOM 867 NE2 GLN A 109 9.478 8.347 -20.592 1.00 0.00 N
869
+ ATOM 868 OE1 GLN A 109 9.853 9.431 -22.526 1.00 0.00 O
870
+ ATOM 869 N LEU A 110 6.780 12.365 -23.990 1.00 0.00 N
871
+ ATOM 870 CA LEU A 110 6.296 13.313 -24.987 1.00 0.00 C
872
+ ATOM 871 C LEU A 110 6.194 12.655 -26.359 1.00 0.00 C
873
+ ATOM 872 CB LEU A 110 7.218 14.533 -25.061 1.00 0.00 C
874
+ ATOM 873 O LEU A 110 7.128 11.980 -26.799 1.00 0.00 O
875
+ ATOM 874 CG LEU A 110 6.762 15.675 -25.971 1.00 0.00 C
876
+ ATOM 875 CD1 LEU A 110 5.483 16.306 -25.429 1.00 0.00 C
877
+ ATOM 876 CD2 LEU A 110 7.862 16.720 -26.110 1.00 0.00 C
878
+ ATOM 877 N LEU A 111 5.043 12.839 -26.982 1.00 0.00 N
879
+ ATOM 878 CA LEU A 111 4.836 12.323 -28.330 1.00 0.00 C
880
+ ATOM 879 C LEU A 111 5.064 13.413 -29.371 1.00 0.00 C
881
+ ATOM 880 CB LEU A 111 3.424 11.749 -28.474 1.00 0.00 C
882
+ ATOM 881 O LEU A 111 4.648 14.558 -29.179 1.00 0.00 O
883
+ ATOM 882 CG LEU A 111 3.150 10.430 -27.752 1.00 0.00 C
884
+ ATOM 883 CD1 LEU A 111 1.660 10.107 -27.782 1.00 0.00 C
885
+ ATOM 884 CD2 LEU A 111 3.960 9.299 -28.377 1.00 0.00 C
886
+ ATOM 885 N SER A 112 5.693 13.049 -30.452 1.00 0.00 N
887
+ ATOM 886 CA SER A 112 5.940 13.923 -31.593 1.00 0.00 C
888
+ ATOM 887 C SER A 112 5.416 13.306 -32.886 1.00 0.00 C
889
+ ATOM 888 CB SER A 112 7.435 14.219 -31.730 1.00 0.00 C
890
+ ATOM 889 O SER A 112 5.143 12.105 -32.941 1.00 0.00 O
891
+ ATOM 890 OG SER A 112 7.914 14.915 -30.594 1.00 0.00 O
892
+ ATOM 891 N GLN A 113 5.223 14.219 -33.813 1.00 0.00 N
893
+ ATOM 892 CA GLN A 113 4.835 13.773 -35.147 1.00 0.00 C
894
+ ATOM 893 C GLN A 113 5.743 12.649 -35.637 1.00 0.00 C
895
+ ATOM 894 CB GLN A 113 4.867 14.942 -36.134 1.00 0.00 C
896
+ ATOM 895 O GLN A 113 6.969 12.765 -35.579 1.00 0.00 O
897
+ ATOM 896 CG GLN A 113 4.589 14.537 -37.575 1.00 0.00 C
898
+ ATOM 897 CD GLN A 113 3.123 14.243 -37.831 1.00 0.00 C
899
+ ATOM 898 NE2 GLN A 113 2.827 13.674 -38.993 1.00 0.00 N
900
+ ATOM 899 OE1 GLN A 113 2.264 14.525 -36.989 1.00 0.00 O
901
+ ATOM 900 N GLY A 114 5.074 11.512 -36.039 1.00 0.00 N
902
+ ATOM 901 CA GLY A 114 5.832 10.441 -36.667 1.00 0.00 C
903
+ ATOM 902 C GLY A 114 6.308 9.390 -35.683 1.00 0.00 C
904
+ ATOM 903 O GLY A 114 6.906 8.387 -36.079 1.00 0.00 O
905
+ ATOM 904 N ASP A 115 6.072 9.684 -34.391 1.00 0.00 N
906
+ ATOM 905 CA ASP A 115 6.471 8.685 -33.405 1.00 0.00 C
907
+ ATOM 906 C ASP A 115 5.746 7.362 -33.639 1.00 0.00 C
908
+ ATOM 907 CB ASP A 115 6.197 9.190 -31.988 1.00 0.00 C
909
+ ATOM 908 O ASP A 115 4.588 7.349 -34.061 1.00 0.00 O
910
+ ATOM 909 CG ASP A 115 7.285 10.113 -31.466 1.00 0.00 C
911
+ ATOM 910 OD1 ASP A 115 8.327 10.269 -32.139 1.00 0.00 O
912
+ ATOM 911 OD2 ASP A 115 7.100 10.688 -30.372 1.00 0.00 O
913
+ ATOM 912 N GLU A 116 6.466 6.256 -33.452 1.00 0.00 N
914
+ ATOM 913 CA GLU A 116 5.886 4.919 -33.546 1.00 0.00 C
915
+ ATOM 914 C GLU A 116 5.751 4.279 -32.167 1.00 0.00 C
916
+ ATOM 915 CB GLU A 116 6.734 4.029 -34.459 1.00 0.00 C
917
+ ATOM 916 O GLU A 116 6.736 4.149 -31.437 1.00 0.00 O
918
+ ATOM 917 CG GLU A 116 6.153 2.638 -34.671 1.00 0.00 C
919
+ ATOM 918 CD GLU A 116 6.996 1.772 -35.593 1.00 0.00 C
920
+ ATOM 919 OE1 GLU A 116 8.196 2.077 -35.784 1.00 0.00 O
921
+ ATOM 920 OE2 GLU A 116 6.454 0.780 -36.130 1.00 0.00 O
922
+ ATOM 921 N ILE A 117 4.535 3.974 -31.883 1.00 0.00 N
923
+ ATOM 922 CA ILE A 117 4.224 3.213 -30.678 1.00 0.00 C
924
+ ATOM 923 C ILE A 117 4.056 1.737 -31.028 1.00 0.00 C
925
+ ATOM 924 CB ILE A 117 2.950 3.748 -29.985 1.00 0.00 C
926
+ ATOM 925 O ILE A 117 3.257 1.386 -31.898 1.00 0.00 O
927
+ ATOM 926 CG1 ILE A 117 3.127 5.222 -29.604 1.00 0.00 C
928
+ ATOM 927 CG2 ILE A 117 2.609 2.901 -28.755 1.00 0.00 C
929
+ ATOM 928 CD1 ILE A 117 1.836 5.913 -29.188 1.00 0.00 C
930
+ ATOM 929 N THR A 118 4.802 0.954 -30.379 1.00 0.00 N
931
+ ATOM 930 CA THR A 118 4.696 -0.483 -30.604 1.00 0.00 C
932
+ ATOM 931 C THR A 118 4.241 -1.197 -29.335 1.00 0.00 C
933
+ ATOM 932 CB THR A 118 6.036 -1.075 -31.078 1.00 0.00 C
934
+ ATOM 933 O THR A 118 4.717 -0.891 -28.239 1.00 0.00 O
935
+ ATOM 934 CG2 THR A 118 5.871 -2.525 -31.522 1.00 0.00 C
936
+ ATOM 935 OG1 THR A 118 6.530 -0.303 -32.180 1.00 0.00 O
937
+ ATOM 936 N VAL A 119 3.261 -2.028 -29.589 1.00 0.00 N
938
+ ATOM 937 CA VAL A 119 2.743 -2.839 -28.492 1.00 0.00 C
939
+ ATOM 938 C VAL A 119 2.705 -4.308 -28.909 1.00 0.00 C
940
+ ATOM 939 CB VAL A 119 1.337 -2.373 -28.055 1.00 0.00 C
941
+ ATOM 940 O VAL A 119 2.694 -4.620 -30.102 1.00 0.00 O
942
+ ATOM 941 CG1 VAL A 119 1.359 -0.900 -27.647 1.00 0.00 C
943
+ ATOM 942 CG2 VAL A 119 0.326 -2.604 -29.177 1.00 0.00 C
944
+ ATOM 943 N GLY A 120 2.664 -5.219 -27.842 1.00 0.00 N
945
+ ATOM 944 CA GLY A 120 2.623 -6.646 -28.118 1.00 0.00 C
946
+ ATOM 945 C GLY A 120 3.988 -7.305 -28.057 1.00 0.00 C
947
+ ATOM 946 O GLY A 120 5.015 -6.623 -28.097 1.00 0.00 O
948
+ ATOM 947 N VAL A 121 3.975 -8.468 -27.631 1.00 0.00 N
949
+ ATOM 948 CA VAL A 121 5.157 -9.310 -27.486 1.00 0.00 C
950
+ ATOM 949 C VAL A 121 4.883 -10.692 -28.079 1.00 0.00 C
951
+ ATOM 950 CB VAL A 121 5.583 -9.441 -26.007 1.00 0.00 C
952
+ ATOM 951 O VAL A 121 3.733 -11.132 -28.136 1.00 0.00 O
953
+ ATOM 952 CG1 VAL A 121 6.175 -8.128 -25.499 1.00 0.00 C
954
+ ATOM 953 CG2 VAL A 121 4.395 -9.865 -25.145 1.00 0.00 C
955
+ ATOM 954 N GLY A 122 5.932 -11.266 -28.627 1.00 0.00 N
956
+ ATOM 955 CA GLY A 122 5.831 -12.598 -29.203 1.00 0.00 C
957
+ ATOM 956 C GLY A 122 6.004 -12.611 -30.710 1.00 0.00 C
958
+ ATOM 957 O GLY A 122 6.917 -11.975 -31.240 1.00 0.00 O
959
+ ATOM 958 N VAL A 123 5.072 -13.471 -31.386 1.00 0.00 N
960
+ ATOM 959 CA VAL A 123 5.198 -13.631 -32.830 1.00 0.00 C
961
+ ATOM 960 C VAL A 123 4.802 -12.332 -33.530 1.00 0.00 C
962
+ ATOM 961 CB VAL A 123 4.333 -14.801 -33.350 1.00 0.00 C
963
+ ATOM 962 O VAL A 123 4.122 -11.486 -32.944 1.00 0.00 O
964
+ ATOM 963 CG1 VAL A 123 4.823 -16.130 -32.778 1.00 0.00 C
965
+ ATOM 964 CG2 VAL A 123 2.863 -14.574 -32.999 1.00 0.00 C
966
+ ATOM 965 N GLU A 124 5.397 -12.048 -34.687 1.00 0.00 N
967
+ ATOM 966 CA GLU A 124 5.206 -10.833 -35.476 1.00 0.00 C
968
+ ATOM 967 C GLU A 124 3.730 -10.455 -35.559 1.00 0.00 C
969
+ ATOM 968 CB GLU A 124 5.785 -11.008 -36.882 1.00 0.00 C
970
+ ATOM 969 O GLU A 124 3.385 -9.272 -35.538 1.00 0.00 O
971
+ ATOM 970 CG GLU A 124 5.935 -9.704 -37.652 1.00 0.00 C
972
+ ATOM 971 CD GLU A 124 6.609 -9.880 -39.003 1.00 0.00 C
973
+ ATOM 972 OE1 GLU A 124 6.981 -11.023 -39.352 1.00 0.00 O
974
+ ATOM 973 OE2 GLU A 124 6.767 -8.865 -39.719 1.00 0.00 O
975
+ ATOM 974 N SER A 125 2.929 -11.435 -35.611 1.00 0.00 N
976
+ ATOM 975 CA SER A 125 1.506 -11.161 -35.779 1.00 0.00 C
977
+ ATOM 976 C SER A 125 0.903 -10.571 -34.508 1.00 0.00 C
978
+ ATOM 977 CB SER A 125 0.756 -12.437 -36.165 1.00 0.00 C
979
+ ATOM 978 O SER A 125 -0.210 -10.040 -34.532 1.00 0.00 O
980
+ ATOM 979 OG SER A 125 0.906 -13.430 -35.165 1.00 0.00 O
981
+ ATOM 980 N ASP A 126 1.580 -10.693 -33.425 1.00 0.00 N
982
+ ATOM 981 CA ASP A 126 1.072 -10.197 -32.149 1.00 0.00 C
983
+ ATOM 982 C ASP A 126 1.548 -8.771 -31.885 1.00 0.00 C
984
+ ATOM 983 CB ASP A 126 1.505 -11.117 -31.006 1.00 0.00 C
985
+ ATOM 984 O ASP A 126 1.171 -8.160 -30.883 1.00 0.00 O
986
+ ATOM 985 CG ASP A 126 0.765 -12.443 -30.999 1.00 0.00 C
987
+ ATOM 986 OD1 ASP A 126 -0.219 -12.596 -31.753 1.00 0.00 O
988
+ ATOM 987 OD2 ASP A 126 1.169 -13.343 -30.230 1.00 0.00 O
989
+ ATOM 988 N ILE A 127 2.424 -8.312 -32.786 1.00 0.00 N
990
+ ATOM 989 CA ILE A 127 3.023 -6.995 -32.602 1.00 0.00 C
991
+ ATOM 990 C ILE A 127 2.219 -5.951 -33.373 1.00 0.00 C
992
+ ATOM 991 CB ILE A 127 4.500 -6.977 -33.057 1.00 0.00 C
993
+ ATOM 992 O ILE A 127 1.910 -6.141 -34.552 1.00 0.00 O
994
+ ATOM 993 CG1 ILE A 127 5.324 -7.974 -32.233 1.00 0.00 C
995
+ ATOM 994 CG2 ILE A 127 5.081 -5.564 -32.949 1.00 0.00 C
996
+ ATOM 995 CD1 ILE A 127 6.759 -8.139 -32.716 1.00 0.00 C
997
+ ATOM 996 N LEU A 128 1.830 -4.969 -32.659 1.00 0.00 N
998
+ ATOM 997 CA LEU A 128 1.117 -3.861 -33.286 1.00 0.00 C
999
+ ATOM 998 C LEU A 128 1.967 -2.594 -33.280 1.00 0.00 C
1000
+ ATOM 999 CB LEU A 128 -0.209 -3.603 -32.567 1.00 0.00 C
1001
+ ATOM 1000 O LEU A 128 2.640 -2.298 -32.290 1.00 0.00 O
1002
+ ATOM 1001 CG LEU A 128 -1.203 -4.765 -32.540 1.00 0.00 C
1003
+ ATOM 1002 CD1 LEU A 128 -2.396 -4.421 -31.654 1.00 0.00 C
1004
+ ATOM 1003 CD2 LEU A 128 -1.661 -5.112 -33.952 1.00 0.00 C
1005
+ ATOM 1004 N SER A 129 1.972 -1.909 -34.385 1.00 0.00 N
1006
+ ATOM 1005 CA SER A 129 2.670 -0.635 -34.527 1.00 0.00 C
1007
+ ATOM 1006 C SER A 129 1.702 0.490 -34.876 1.00 0.00 C
1008
+ ATOM 1007 CB SER A 129 3.756 -0.736 -35.600 1.00 0.00 C
1009
+ ATOM 1008 O SER A 129 0.888 0.353 -35.792 1.00 0.00 O
1010
+ ATOM 1009 OG SER A 129 4.794 -1.608 -35.185 1.00 0.00 O
1011
+ ATOM 1010 N LEU A 130 1.779 1.440 -34.061 1.00 0.00 N
1012
+ ATOM 1011 CA LEU A 130 0.946 2.623 -34.245 1.00 0.00 C
1013
+ ATOM 1012 C LEU A 130 1.804 3.859 -34.498 1.00 0.00 C
1014
+ ATOM 1013 CB LEU A 130 0.055 2.848 -33.021 1.00 0.00 C
1015
+ ATOM 1014 O LEU A 130 2.797 4.082 -33.804 1.00 0.00 O
1016
+ ATOM 1015 CG LEU A 130 -0.855 1.686 -32.621 1.00 0.00 C
1017
+ ATOM 1016 CD1 LEU A 130 -0.247 0.910 -31.458 1.00 0.00 C
1018
+ ATOM 1017 CD2 LEU A 130 -2.247 2.195 -32.262 1.00 0.00 C
1019
+ ATOM 1018 N VAL A 131 1.421 4.632 -35.458 1.00 0.00 N
1020
+ ATOM 1019 CA VAL A 131 2.158 5.855 -35.764 1.00 0.00 C
1021
+ ATOM 1020 C VAL A 131 1.289 7.072 -35.460 1.00 0.00 C
1022
+ ATOM 1021 CB VAL A 131 2.621 5.884 -37.237 1.00 0.00 C
1023
+ ATOM 1022 O VAL A 131 0.096 7.086 -35.774 1.00 0.00 O
1024
+ ATOM 1023 CG1 VAL A 131 3.319 7.205 -37.558 1.00 0.00 C
1025
+ ATOM 1024 CG2 VAL A 131 3.545 4.703 -37.530 1.00 0.00 C
1026
+ ATOM 1025 N ILE A 132 1.931 8.011 -34.748 1.00 0.00 N
1027
+ ATOM 1026 CA ILE A 132 1.267 9.227 -34.292 1.00 0.00 C
1028
+ ATOM 1027 C ILE A 132 1.393 10.313 -35.357 1.00 0.00 C
1029
+ ATOM 1028 CB ILE A 132 1.855 9.722 -32.951 1.00 0.00 C
1030
+ ATOM 1029 O ILE A 132 2.489 10.582 -35.854 1.00 0.00 O
1031
+ ATOM 1030 CG1 ILE A 132 1.725 8.636 -31.877 1.00 0.00 C
1032
+ ATOM 1031 CG2 ILE A 132 1.169 11.016 -32.506 1.00 0.00 C
1033
+ ATOM 1032 CD1 ILE A 132 0.290 8.346 -31.461 1.00 0.00 C
1034
+ ATOM 1033 N PHE A 133 0.261 10.846 -35.700 1.00 0.00 N
1035
+ ATOM 1034 CA PHE A 133 0.228 12.014 -36.571 1.00 0.00 C
1036
+ ATOM 1035 C PHE A 133 -0.377 13.211 -35.848 1.00 0.00 C
1037
+ ATOM 1036 CB PHE A 133 -0.568 11.713 -37.846 1.00 0.00 C
1038
+ ATOM 1037 O PHE A 133 -1.500 13.138 -35.345 1.00 0.00 O
1039
+ ATOM 1038 CG PHE A 133 0.062 10.664 -38.721 1.00 0.00 C
1040
+ ATOM 1039 CD1 PHE A 133 0.915 11.024 -39.757 1.00 0.00 C
1041
+ ATOM 1040 CD2 PHE A 133 -0.199 9.317 -38.507 1.00 0.00 C
1042
+ ATOM 1041 CE1 PHE A 133 1.499 10.054 -40.570 1.00 0.00 C
1043
+ ATOM 1042 CE2 PHE A 133 0.381 8.342 -39.315 1.00 0.00 C
1044
+ ATOM 1043 CZ PHE A 133 1.229 8.714 -40.346 1.00 0.00 C
1045
+ ATOM 1044 N ILE A 134 0.391 14.203 -35.714 1.00 0.00 N
1046
+ ATOM 1045 CA ILE A 134 -0.018 15.416 -35.011 1.00 0.00 C
1047
+ ATOM 1046 C ILE A 134 -0.048 16.591 -35.986 1.00 0.00 C
1048
+ ATOM 1047 CB ILE A 134 0.923 15.726 -33.826 1.00 0.00 C
1049
+ ATOM 1048 O ILE A 134 0.915 16.819 -36.722 1.00 0.00 O
1050
+ ATOM 1049 CG1 ILE A 134 0.994 14.528 -32.872 1.00 0.00 C
1051
+ ATOM 1050 CG2 ILE A 134 0.465 16.987 -33.089 1.00 0.00 C
1052
+ ATOM 1051 CD1 ILE A 134 2.051 14.666 -31.784 1.00 0.00 C
1053
+ ATOM 1052 N ASN A 135 -1.179 17.183 -36.059 1.00 0.00 N
1054
+ ATOM 1053 CA ASN A 135 -1.357 18.363 -36.898 1.00 0.00 C
1055
+ ATOM 1054 C ASN A 135 -0.918 19.635 -36.176 1.00 0.00 C
1056
+ ATOM 1055 CB ASN A 135 -2.813 18.486 -37.350 1.00 0.00 C
1057
+ ATOM 1056 O ASN A 135 -1.225 19.823 -34.998 1.00 0.00 O
1058
+ ATOM 1057 CG ASN A 135 -3.041 19.671 -38.269 1.00 0.00 C
1059
+ ATOM 1058 ND2 ASN A 135 -4.165 19.664 -38.977 1.00 0.00 N
1060
+ ATOM 1059 OD1 ASN A 135 -2.214 20.582 -38.343 1.00 0.00 O
1061
+ ATOM 1060 N ASP A 136 -0.073 20.451 -36.847 1.00 0.00 N
1062
+ ATOM 1061 CA ASP A 136 0.332 21.726 -36.260 1.00 0.00 C
1063
+ ATOM 1062 C ASP A 136 -0.885 22.562 -35.870 1.00 0.00 C
1064
+ ATOM 1063 CB ASP A 136 1.217 22.508 -37.233 1.00 0.00 C
1065
+ ATOM 1064 O ASP A 136 -0.842 23.314 -34.895 1.00 0.00 O
1066
+ ATOM 1065 CG ASP A 136 2.592 21.888 -37.412 1.00 0.00 C
1067
+ ATOM 1066 OD1 ASP A 136 3.045 21.142 -36.518 1.00 0.00 O
1068
+ ATOM 1067 OD2 ASP A 136 3.229 22.151 -38.455 1.00 0.00 O
1069
+ ATOM 1068 N LYS A 137 -1.990 22.471 -36.715 1.00 0.00 N
1070
+ ATOM 1069 CA LYS A 137 -3.210 23.205 -36.396 1.00 0.00 C
1071
+ ATOM 1070 C LYS A 137 -3.796 22.748 -35.063 1.00 0.00 C
1072
+ ATOM 1071 CB LYS A 137 -4.246 23.033 -37.509 1.00 0.00 C
1073
+ ATOM 1072 O LYS A 137 -4.492 23.511 -34.391 1.00 0.00 O
1074
+ ATOM 1073 CG LYS A 137 -3.912 23.787 -38.787 1.00 0.00 C
1075
+ ATOM 1074 CD LYS A 137 -5.040 23.687 -39.806 1.00 0.00 C
1076
+ ATOM 1075 CE LYS A 137 -4.687 24.404 -41.103 1.00 0.00 C
1077
+ ATOM 1076 NZ LYS A 137 -5.760 24.247 -42.132 1.00 0.00 N
1078
+ ATOM 1077 N PHE A 138 -3.563 21.470 -34.682 1.00 0.00 N
1079
+ ATOM 1078 CA PHE A 138 -4.032 20.957 -33.399 1.00 0.00 C
1080
+ ATOM 1079 C PHE A 138 -3.542 21.836 -32.254 1.00 0.00 C
1081
+ ATOM 1080 CB PHE A 138 -3.562 19.514 -33.192 1.00 0.00 C
1082
+ ATOM 1081 O PHE A 138 -4.332 22.260 -31.408 1.00 0.00 O
1083
+ ATOM 1082 CG PHE A 138 -3.956 18.933 -31.860 1.00 0.00 C
1084
+ ATOM 1083 CD1 PHE A 138 -5.294 18.808 -31.509 1.00 0.00 C
1085
+ ATOM 1084 CD2 PHE A 138 -2.985 18.513 -30.959 1.00 0.00 C
1086
+ ATOM 1085 CE1 PHE A 138 -5.661 18.270 -30.278 1.00 0.00 C
1087
+ ATOM 1086 CE2 PHE A 138 -3.344 17.975 -29.727 1.00 0.00 C
1088
+ ATOM 1087 CZ PHE A 138 -4.682 17.856 -29.387 1.00 0.00 C
1089
+ ATOM 1088 N LYS A 139 -2.263 22.032 -32.169 1.00 0.00 N
1090
+ ATOM 1089 CA LYS A 139 -1.728 22.872 -31.102 1.00 0.00 C
1091
+ ATOM 1090 C LYS A 139 -2.360 24.262 -31.127 1.00 0.00 C
1092
+ ATOM 1091 CB LYS A 139 -0.208 22.986 -31.217 1.00 0.00 C
1093
+ ATOM 1092 O LYS A 139 -2.673 24.827 -30.077 1.00 0.00 O
1094
+ ATOM 1093 CG LYS A 139 0.544 21.751 -30.741 1.00 0.00 C
1095
+ ATOM 1094 CD LYS A 139 2.050 21.973 -30.756 1.00 0.00 C
1096
+ ATOM 1095 CE LYS A 139 2.806 20.708 -30.372 1.00 0.00 C
1097
+ ATOM 1096 NZ LYS A 139 4.286 20.904 -30.442 1.00 0.00 N
1098
+ ATOM 1097 N GLN A 140 -2.568 24.772 -32.363 1.00 0.00 N
1099
+ ATOM 1098 CA GLN A 140 -3.162 26.099 -32.485 1.00 0.00 C
1100
+ ATOM 1099 C GLN A 140 -4.601 26.106 -31.979 1.00 0.00 C
1101
+ ATOM 1100 CB GLN A 140 -3.114 26.576 -33.938 1.00 0.00 C
1102
+ ATOM 1101 O GLN A 140 -5.012 27.032 -31.277 1.00 0.00 O
1103
+ ATOM 1102 CG GLN A 140 -1.723 26.980 -34.408 1.00 0.00 C
1104
+ ATOM 1103 CD GLN A 140 -1.682 27.340 -35.880 1.00 0.00 C
1105
+ ATOM 1104 NE2 GLN A 140 -0.488 27.625 -36.388 1.00 0.00 N
1106
+ ATOM 1105 OE1 GLN A 140 -2.715 27.362 -36.557 1.00 0.00 O
1107
+ ATOM 1106 N CYS A 141 -5.350 25.080 -32.343 1.00 0.00 N
1108
+ ATOM 1107 CA CYS A 141 -6.733 24.946 -31.902 1.00 0.00 C
1109
+ ATOM 1108 C CYS A 141 -6.814 24.832 -30.385 1.00 0.00 C
1110
+ ATOM 1109 CB CYS A 141 -7.385 23.724 -32.550 1.00 0.00 C
1111
+ ATOM 1110 O CYS A 141 -7.700 25.418 -29.761 1.00 0.00 O
1112
+ ATOM 1111 SG CYS A 141 -7.798 23.959 -34.293 1.00 0.00 S
1113
+ ATOM 1112 N LEU A 142 -5.839 24.107 -29.789 1.00 0.00 N
1114
+ ATOM 1113 CA LEU A 142 -5.824 23.969 -28.337 1.00 0.00 C
1115
+ ATOM 1114 C LEU A 142 -5.575 25.316 -27.665 1.00 0.00 C
1116
+ ATOM 1115 CB LEU A 142 -4.752 22.965 -27.905 1.00 0.00 C
1117
+ ATOM 1116 O LEU A 142 -6.238 25.656 -26.683 1.00 0.00 O
1118
+ ATOM 1117 CG LEU A 142 -5.107 21.486 -28.060 1.00 0.00 C
1119
+ ATOM 1118 CD1 LEU A 142 -3.873 20.618 -27.840 1.00 0.00 C
1120
+ ATOM 1119 CD2 LEU A 142 -6.219 21.097 -27.092 1.00 0.00 C
1121
+ ATOM 1120 N GLU A 143 -4.636 26.048 -28.197 1.00 0.00 N
1122
+ ATOM 1121 CA GLU A 143 -4.303 27.355 -27.637 1.00 0.00 C
1123
+ ATOM 1122 C GLU A 143 -5.484 28.316 -27.742 1.00 0.00 C
1124
+ ATOM 1123 CB GLU A 143 -3.079 27.946 -28.341 1.00 0.00 C
1125
+ ATOM 1124 O GLU A 143 -5.773 29.058 -26.801 1.00 0.00 O
1126
+ ATOM 1125 CG GLU A 143 -1.759 27.334 -27.896 1.00 0.00 C
1127
+ ATOM 1126 CD GLU A 143 -0.550 27.947 -28.585 1.00 0.00 C
1128
+ ATOM 1127 OE1 GLU A 143 -0.732 28.728 -29.547 1.00 0.00 O
1129
+ ATOM 1128 OE2 GLU A 143 0.587 27.643 -28.162 1.00 0.00 O
1130
+ ATOM 1129 N GLN A 144 -6.145 28.235 -28.922 1.00 0.00 N
1131
+ ATOM 1130 CA GLN A 144 -7.299 29.105 -29.118 1.00 0.00 C
1132
+ ATOM 1131 C GLN A 144 -8.417 28.765 -28.136 1.00 0.00 C
1133
+ ATOM 1132 CB GLN A 144 -7.813 29.002 -30.555 1.00 0.00 C
1134
+ ATOM 1133 O GLN A 144 -9.095 29.659 -27.625 1.00 0.00 O
1135
+ ATOM 1134 CG GLN A 144 -8.842 30.063 -30.918 1.00 0.00 C
1136
+ ATOM 1135 CD GLN A 144 -8.300 31.474 -30.793 1.00 0.00 C
1137
+ ATOM 1136 NE2 GLN A 144 -9.067 32.350 -30.153 1.00 0.00 N
1138
+ ATOM 1137 OE1 GLN A 144 -7.200 31.775 -31.268 1.00 0.00 O
1139
+ ATOM 1138 N ASN A 145 -8.683 27.460 -27.870 1.00 0.00 N
1140
+ ATOM 1139 CA ASN A 145 -9.679 27.024 -26.897 1.00 0.00 C
1141
+ ATOM 1140 C ASN A 145 -9.326 27.489 -25.487 1.00 0.00 C
1142
+ ATOM 1141 CB ASN A 145 -9.833 25.502 -26.931 1.00 0.00 C
1143
+ ATOM 1142 O ASN A 145 -10.212 27.837 -24.703 1.00 0.00 O
1144
+ ATOM 1143 CG ASN A 145 -10.807 25.037 -27.996 1.00 0.00 C
1145
+ ATOM 1144 ND2 ASN A 145 -10.613 23.820 -28.487 1.00 0.00 N
1146
+ ATOM 1145 OD1 ASN A 145 -11.726 25.769 -28.375 1.00 0.00 O
1147
+ ATOM 1146 N LYS A 146 -8.054 27.485 -25.175 1.00 0.00 N
1148
+ ATOM 1147 CA LYS A 146 -7.628 27.999 -23.877 1.00 0.00 C
1149
+ ATOM 1148 C LYS A 146 -7.976 29.477 -23.730 1.00 0.00 C
1150
+ ATOM 1149 CB LYS A 146 -6.125 27.793 -23.685 1.00 0.00 C
1151
+ ATOM 1150 O LYS A 146 -8.459 29.905 -22.680 1.00 0.00 O
1152
+ ATOM 1151 CG LYS A 146 -5.738 26.370 -23.308 1.00 0.00 C
1153
+ ATOM 1152 CD LYS A 146 -4.244 26.251 -23.036 1.00 0.00 C
1154
+ ATOM 1153 CE LYS A 146 -3.847 24.817 -22.710 1.00 0.00 C
1155
+ ATOM 1154 NZ LYS A 146 -2.376 24.686 -22.491 1.00 0.00 N
1156
+ ATOM 1155 N VAL A 147 -7.650 30.237 -24.808 1.00 0.00 N
1157
+ ATOM 1156 CA VAL A 147 -7.919 31.670 -24.796 1.00 0.00 C
1158
+ ATOM 1157 C VAL A 147 -9.423 31.913 -24.680 1.00 0.00 C
1159
+ ATOM 1158 CB VAL A 147 -7.363 32.363 -26.061 1.00 0.00 C
1160
+ ATOM 1159 O VAL A 147 -9.861 32.768 -23.906 1.00 0.00 O
1161
+ ATOM 1160 CG1 VAL A 147 -7.824 33.818 -26.127 1.00 0.00 C
1162
+ ATOM 1161 CG2 VAL A 147 -5.838 32.280 -26.087 1.00 0.00 C
1163
+ ATOM 1162 N ASP A 148 -10.217 31.181 -25.453 1.00 0.00 N
1164
+ ATOM 1163 CA ASP A 148 -11.667 31.346 -25.427 1.00 0.00 C
1165
+ ATOM 1164 C ASP A 148 -12.233 31.011 -24.048 1.00 0.00 C
1166
+ ATOM 1165 CB ASP A 148 -12.327 30.466 -26.492 1.00 0.00 C
1167
+ ATOM 1166 O ASP A 148 -13.206 31.623 -23.606 1.00 0.00 O
1168
+ ATOM 1167 CG ASP A 148 -12.105 30.979 -27.903 1.00 0.00 C
1169
+ ATOM 1168 OD1 ASP A 148 -11.680 32.142 -28.071 1.00 0.00 O
1170
+ ATOM 1169 OD2 ASP A 148 -12.361 30.213 -28.859 1.00 0.00 O
1171
+ ATOM 1170 N ARG A 149 -11.599 30.084 -23.316 1.00 0.00 N
1172
+ ATOM 1171 CA ARG A 149 -12.062 29.740 -21.976 1.00 0.00 C
1173
+ ATOM 1172 C ARG A 149 -11.736 30.850 -20.983 1.00 0.00 C
1174
+ ATOM 1173 CB ARG A 149 -11.437 28.422 -21.512 1.00 0.00 C
1175
+ ATOM 1174 O ARG A 149 -12.483 31.073 -20.027 1.00 0.00 O
1176
+ ATOM 1175 CG ARG A 149 -12.242 27.190 -21.892 1.00 0.00 C
1177
+ ATOM 1176 CD ARG A 149 -11.661 25.925 -21.279 1.00 0.00 C
1178
+ ATOM 1177 NE ARG A 149 -12.347 24.728 -21.758 1.00 0.00 N
1179
+ ATOM 1178 NH1 ARG A 149 -11.121 23.256 -20.469 1.00 0.00 N
1180
+ ATOM 1179 NH2 ARG A 149 -12.762 22.472 -21.864 1.00 0.00 N
1181
+ ATOM 1180 CZ ARG A 149 -12.076 23.488 -21.363 1.00 0.00 C
1182
+ ATOM 1181 N ILE A 150 -10.599 31.508 -21.147 1.00 0.00 N
1183
+ ATOM 1182 CA ILE A 150 -10.190 32.581 -20.246 1.00 0.00 C
1184
+ ATOM 1183 C ILE A 150 -11.070 33.808 -20.471 1.00 0.00 C
1185
+ ATOM 1184 CB ILE A 150 -8.701 32.945 -20.442 1.00 0.00 C
1186
+ ATOM 1185 O ILE A 150 -11.422 34.509 -19.520 1.00 0.00 O
1187
+ ATOM 1186 CG1 ILE A 150 -7.806 31.765 -20.047 1.00 0.00 C
1188
+ ATOM 1187 CG2 ILE A 150 -8.342 34.198 -19.637 1.00 0.00 C
1189
+ ATOM 1188 CD1 ILE A 150 -6.349 31.929 -20.457 1.00 0.00 C
1190
+ ATOM 1189 N ARG A 151 -11.815 33.933 -21.527 1.00 0.00 N
1191
+ ATOM 1190 CA ARG A 151 -12.663 35.095 -21.775 1.00 0.00 C
1192
+ ATOM 1191 C ARG A 151 -14.090 34.841 -21.303 1.00 0.00 C
1193
+ ATOM 1192 CB ARG A 151 -12.660 35.455 -23.263 1.00 0.00 C
1194
+ ATOM 1193 O ARG A 151 -14.741 35.739 -20.765 1.00 0.00 O
1195
+ ATOM 1194 CG ARG A 151 -11.346 36.043 -23.751 1.00 0.00 C
1196
+ ATOM 1195 CD ARG A 151 -11.407 36.415 -25.226 1.00 0.00 C
1197
+ ATOM 1196 NE ARG A 151 -10.140 36.965 -25.697 1.00 0.00 N
1198
+ ATOM 1197 NH1 ARG A 151 -10.803 37.153 -27.902 1.00 0.00 N
1199
+ ATOM 1198 NH2 ARG A 151 -8.693 37.794 -27.276 1.00 0.00 N
1200
+ ATOM 1199 CZ ARG A 151 -9.881 37.302 -26.957 1.00 0.00 C
1201
+ ATOM 1200 OXT ARG A 151 -13.975 33.724 -21.716 1.00 0.00 O
1202
+ TER 1201 ARG A 151
1203
+ END
1k3n/1k3n_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1o42/1o42_ligand.mol2 ADDED
@@ -0,0 +1,165 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1o42_ligand
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+
1o42/1o42_ligand.sdf ADDED
@@ -0,0 +1,159 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ M END
159
+ $$$$
1o42/1o42_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,857 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C SER A 1 2.256 16.444 7.260 1.00 85.22 C
2
+ ATOM 2 CA SER A 1 1.973 16.018 5.823 1.00 83.91 C
3
+ ATOM 3 CB SER A 1 1.119 17.081 5.127 1.00 76.30 C
4
+ ATOM 4 N SER A 1 1.311 14.719 5.777 1.00 81.15 N
5
+ ATOM 5 O SER A 1 1.443 16.207 8.155 1.00 79.91 O
6
+ ATOM 6 OG SER A 1 1.679 18.371 5.303 1.00 58.82 O
7
+ ATOM 7 C ILE A 2 2.881 18.356 9.452 1.00 89.89 C
8
+ ATOM 8 CA ILE A 2 3.860 17.306 8.930 1.00 89.54 C
9
+ ATOM 9 CB ILE A 2 5.298 17.874 8.922 1.00 85.75 C
10
+ ATOM 10 CD1 ILE A 2 7.295 18.302 10.470 1.00 66.44 C
11
+ ATOM 11 CG1 ILE A 2 5.790 18.102 10.356 1.00 68.81 C
12
+ ATOM 12 CG2 ILE A 2 5.363 19.169 8.108 1.00 69.00 C
13
+ ATOM 13 N ILE A 2 3.452 16.869 7.600 1.00 87.85 N
14
+ ATOM 14 O ILE A 2 2.653 18.455 10.660 1.00 88.71 O
15
+ ATOM 15 C GLN A 3 0.058 19.616 9.592 1.00 89.59 C
16
+ ATOM 16 CA GLN A 3 1.301 20.158 8.892 1.00 89.66 C
17
+ ATOM 17 CB GLN A 3 0.900 20.938 7.639 1.00 85.50 C
18
+ ATOM 18 CD GLN A 3 1.641 22.426 5.729 1.00 68.90 C
19
+ ATOM 19 CG GLN A 3 2.040 21.737 7.021 1.00 73.15 C
20
+ ATOM 20 N GLN A 3 2.224 19.080 8.550 1.00 88.13 N
21
+ ATOM 21 NE2 GLN A 3 2.533 23.255 5.199 1.00 60.38 N
22
+ ATOM 22 O GLN A 3 -0.638 20.355 10.292 1.00 87.90 O
23
+ ATOM 23 OE1 GLN A 3 0.540 22.213 5.212 1.00 70.01 O
24
+ ATOM 24 C ALA A 4 -1.138 17.340 11.412 1.00 91.76 C
25
+ ATOM 25 CA ALA A 4 -1.380 17.783 9.972 1.00 91.67 C
26
+ ATOM 26 CB ALA A 4 -1.852 16.602 9.128 1.00 89.68 C
27
+ ATOM 27 N ALA A 4 -0.175 18.372 9.395 1.00 91.42 N
28
+ ATOM 28 O ALA A 4 -2.080 16.986 12.126 1.00 90.63 O
29
+ ATOM 29 C GLU A 5 0.077 17.919 14.121 1.00 94.39 C
30
+ ATOM 30 CA GLU A 5 0.439 16.860 13.085 1.00 94.54 C
31
+ ATOM 31 CB GLU A 5 1.927 16.512 13.187 1.00 93.84 C
32
+ ATOM 32 CD GLU A 5 1.768 14.043 12.612 1.00 87.69 C
33
+ ATOM 33 CG GLU A 5 2.363 15.394 12.251 1.00 91.23 C
34
+ ATOM 34 N GLU A 5 0.110 17.307 11.735 1.00 94.21 N
35
+ ATOM 35 O GLU A 5 0.380 19.100 13.942 1.00 93.72 O
36
+ ATOM 36 OE1 GLU A 5 1.369 13.848 13.783 1.00 87.69 O
37
+ ATOM 37 OE2 GLU A 5 1.701 13.170 11.717 1.00 87.92 O
38
+ ATOM 38 C GLU A 6 0.238 19.046 17.002 1.00 94.77 C
39
+ ATOM 39 CA GLU A 6 -0.962 18.375 16.339 1.00 94.58 C
40
+ ATOM 40 CB GLU A 6 -1.787 17.621 17.385 1.00 93.02 C
41
+ ATOM 41 CD GLU A 6 -3.968 16.439 17.936 1.00 77.11 C
42
+ ATOM 42 CG GLU A 6 -3.141 17.148 16.876 1.00 82.90 C
43
+ ATOM 43 N GLU A 6 -0.538 17.471 15.273 1.00 94.47 N
44
+ ATOM 44 O GLU A 6 0.138 20.179 17.475 1.00 94.21 O
45
+ ATOM 45 OE1 GLU A 6 -3.406 16.062 18.991 1.00 75.22 O
46
+ ATOM 46 OE2 GLU A 6 -5.185 16.257 17.712 1.00 72.37 O
47
+ ATOM 47 C TRP A 7 3.308 19.816 16.839 1.00 95.23 C
48
+ ATOM 48 CA TRP A 7 2.521 18.859 17.728 1.00 95.67 C
49
+ ATOM 49 CB TRP A 7 3.414 17.692 18.160 1.00 95.13 C
50
+ ATOM 50 CD1 TRP A 7 2.956 15.429 17.038 1.00 88.42 C
51
+ ATOM 51 CD2 TRP A 7 4.464 16.699 15.975 1.00 89.54 C
52
+ ATOM 52 CE2 TRP A 7 4.307 15.491 15.262 1.00 91.28 C
53
+ ATOM 53 CE3 TRP A 7 5.364 17.660 15.495 1.00 91.76 C
54
+ ATOM 54 CG TRP A 7 3.591 16.638 17.107 1.00 93.21 C
55
+ ATOM 55 CH2 TRP A 7 5.892 16.175 13.642 1.00 89.97 C
56
+ ATOM 56 CZ2 TRP A 7 5.018 15.218 14.091 1.00 91.27 C
57
+ ATOM 57 CZ3 TRP A 7 6.071 17.386 14.330 1.00 90.84 C
58
+ ATOM 58 N TRP A 7 1.333 18.367 17.039 1.00 95.06 N
59
+ ATOM 59 NE1 TRP A 7 3.383 14.734 15.930 1.00 92.85 N
60
+ ATOM 60 O TRP A 7 4.311 20.391 17.271 1.00 94.18 O
61
+ ATOM 61 C TYR A 8 3.079 22.316 14.775 1.00 94.67 C
62
+ ATOM 62 CA TYR A 8 3.668 20.912 14.697 1.00 95.19 C
63
+ ATOM 63 CB TYR A 8 3.612 20.403 13.253 1.00 94.67 C
64
+ ATOM 64 CD1 TYR A 8 5.692 21.398 12.221 1.00 90.57 C
65
+ ATOM 65 CD2 TYR A 8 3.566 22.078 11.369 1.00 90.32 C
66
+ ATOM 66 CE1 TYR A 8 6.332 22.233 11.312 1.00 90.41 C
67
+ ATOM 67 CE2 TYR A 8 4.196 22.917 10.455 1.00 90.56 C
68
+ ATOM 68 CG TYR A 8 4.302 21.309 12.263 1.00 93.40 C
69
+ ATOM 69 CZ TYR A 8 5.576 22.987 10.433 1.00 89.74 C
70
+ ATOM 70 N TYR A 8 2.961 20.001 15.590 1.00 95.11 N
71
+ ATOM 71 O TYR A 8 1.918 22.530 14.417 1.00 93.59 O
72
+ ATOM 72 OH TYR A 8 6.205 23.815 9.530 1.00 83.46 O
73
+ ATOM 73 C PHE A 9 3.859 25.594 14.379 1.00 92.90 C
74
+ ATOM 74 CA PHE A 9 3.370 24.632 15.454 1.00 93.94 C
75
+ ATOM 75 CB PHE A 9 3.814 25.120 16.837 1.00 93.57 C
76
+ ATOM 76 CD1 PHE A 9 2.307 25.545 18.806 1.00 90.80 C
77
+ ATOM 77 CD2 PHE A 9 2.743 23.280 18.174 1.00 90.52 C
78
+ ATOM 78 CE1 PHE A 9 1.495 25.103 19.848 1.00 90.18 C
79
+ ATOM 79 CE2 PHE A 9 1.934 22.830 19.213 1.00 90.64 C
80
+ ATOM 80 CG PHE A 9 2.938 24.640 17.962 1.00 92.96 C
81
+ ATOM 81 CZ PHE A 9 1.311 23.743 20.049 1.00 89.86 C
82
+ ATOM 82 N PHE A 9 3.862 23.283 15.205 1.00 94.07 N
83
+ ATOM 83 O PHE A 9 3.522 26.780 14.400 1.00 90.99 O
84
+ ATOM 84 C GLY A 10 6.055 26.982 12.769 1.00 92.92 C
85
+ ATOM 85 CA GLY A 10 5.112 25.870 12.350 1.00 92.96 C
86
+ ATOM 86 N GLY A 10 4.651 25.061 13.467 1.00 93.21 N
87
+ ATOM 87 O GLY A 10 7.020 26.742 13.498 1.00 91.80 O
88
+ ATOM 88 C LYS A 11 6.310 30.108 13.765 1.00 91.59 C
89
+ ATOM 89 CA LYS A 11 6.669 29.357 12.486 1.00 92.09 C
90
+ ATOM 90 CB LYS A 11 6.641 30.311 11.292 1.00 90.46 C
91
+ ATOM 91 CD LYS A 11 7.199 30.730 8.874 1.00 79.77 C
92
+ ATOM 92 CE LYS A 11 7.722 30.123 7.579 1.00 73.45 C
93
+ ATOM 93 CG LYS A 11 7.217 29.720 10.014 1.00 84.14 C
94
+ ATOM 94 N LYS A 11 5.763 28.232 12.265 1.00 92.20 N
95
+ ATOM 95 NZ LYS A 11 7.660 31.095 6.447 1.00 63.07 N
96
+ ATOM 96 O LYS A 11 5.551 31.079 13.730 1.00 89.78 O
97
+ ATOM 97 C ILE A 12 7.848 30.570 16.722 1.00 92.69 C
98
+ ATOM 98 CA ILE A 12 6.463 30.351 16.119 1.00 92.74 C
99
+ ATOM 99 CB ILE A 12 5.544 29.632 17.133 1.00 91.92 C
100
+ ATOM 100 CD1 ILE A 12 5.577 27.737 18.858 1.00 85.36 C
101
+ ATOM 101 CG1 ILE A 12 6.173 28.307 17.578 1.00 89.02 C
102
+ ATOM 102 CG2 ILE A 12 4.152 29.404 16.534 1.00 88.88 C
103
+ ATOM 103 N ILE A 12 6.579 29.596 14.877 1.00 92.83 N
104
+ ATOM 104 O ILE A 12 8.754 29.758 16.521 1.00 91.77 O
105
+ ATOM 105 C THR A 13 9.630 31.180 19.221 1.00 92.81 C
106
+ ATOM 106 CA THR A 13 9.325 32.046 18.002 1.00 92.43 C
107
+ ATOM 107 CB THR A 13 9.364 33.532 18.401 1.00 91.32 C
108
+ ATOM 108 CG2 THR A 13 8.996 34.428 17.223 1.00 85.06 C
109
+ ATOM 109 N THR A 13 8.035 31.687 17.423 1.00 92.27 N
110
+ ATOM 110 O THR A 13 8.724 30.583 19.807 1.00 92.35 O
111
+ ATOM 111 OG1 THR A 13 8.435 33.759 19.469 1.00 85.72 O
112
+ ATOM 112 C ARG A 14 10.599 31.025 21.920 1.00 92.34 C
113
+ ATOM 113 CA ARG A 14 11.337 30.474 20.705 1.00 92.50 C
114
+ ATOM 114 CB ARG A 14 12.846 30.640 20.888 1.00 91.16 C
115
+ ATOM 115 CD ARG A 14 14.903 30.121 22.247 1.00 82.90 C
116
+ ATOM 116 CG ARG A 14 13.389 29.989 22.150 1.00 85.48 C
117
+ ATOM 117 CZ ARG A 14 16.280 28.508 23.518 1.00 75.41 C
118
+ ATOM 118 N ARG A 14 10.893 31.130 19.480 1.00 92.44 N
119
+ ATOM 119 NE ARG A 14 15.419 29.520 23.474 1.00 79.14 N
120
+ ATOM 120 NH1 ARG A 14 16.742 27.961 22.399 1.00 66.66 N
121
+ ATOM 121 NH2 ARG A 14 16.685 28.040 24.690 1.00 64.94 N
122
+ ATOM 122 O ARG A 14 10.133 30.262 22.769 1.00 91.51 O
123
+ ATOM 123 C ARG A 15 8.343 32.564 23.258 1.00 92.68 C
124
+ ATOM 124 CA ARG A 15 9.815 32.950 23.168 1.00 92.43 C
125
+ ATOM 125 CB ARG A 15 9.952 34.469 23.050 1.00 90.72 C
126
+ ATOM 126 CD ARG A 15 9.675 36.729 24.127 1.00 76.04 C
127
+ ATOM 127 CG ARG A 15 9.469 35.228 24.276 1.00 80.65 C
128
+ ATOM 128 CZ ARG A 15 9.288 38.773 25.465 1.00 66.28 C
129
+ ATOM 129 N ARG A 15 10.463 32.287 22.041 1.00 92.45 N
130
+ ATOM 130 NE ARG A 15 9.178 37.459 25.291 1.00 70.24 N
131
+ ATOM 131 NH1 ARG A 15 9.885 39.530 24.551 1.00 53.08 N
132
+ ATOM 132 NH2 ARG A 15 8.799 39.335 26.560 1.00 48.32 N
133
+ ATOM 133 O ARG A 15 7.822 32.330 24.350 1.00 91.98 O
134
+ ATOM 134 C GLU A 16 6.065 30.717 22.530 1.00 93.19 C
135
+ ATOM 135 CA GLU A 16 6.227 32.180 22.127 1.00 92.82 C
136
+ ATOM 136 CB GLU A 16 5.612 32.417 20.745 1.00 91.23 C
137
+ ATOM 137 CD GLU A 16 3.266 32.833 21.627 1.00 75.89 C
138
+ ATOM 138 CG GLU A 16 4.138 32.051 20.657 1.00 81.51 C
139
+ ATOM 139 N GLU A 16 7.631 32.579 22.139 1.00 92.89 N
140
+ ATOM 140 O GLU A 16 5.140 30.369 23.265 1.00 92.54 O
141
+ ATOM 141 OE1 GLU A 16 3.771 33.784 22.265 1.00 71.01 O
142
+ ATOM 142 OE2 GLU A 16 2.069 32.491 21.751 1.00 68.99 O
143
+ ATOM 143 C SER A 17 7.135 28.331 23.957 1.00 93.59 C
144
+ ATOM 144 CA SER A 17 6.957 28.483 22.450 1.00 93.84 C
145
+ ATOM 145 CB SER A 17 8.026 27.673 21.718 1.00 92.99 C
146
+ ATOM 146 N SER A 17 7.014 29.886 22.049 1.00 93.68 N
147
+ ATOM 147 O SER A 17 6.451 27.525 24.590 1.00 92.76 O
148
+ ATOM 148 OG SER A 17 9.323 28.022 22.172 1.00 83.23 O
149
+ ATOM 149 C GLU A 18 6.972 29.475 26.731 1.00 92.19 C
150
+ ATOM 150 CA GLU A 18 8.214 29.013 25.974 1.00 92.67 C
151
+ ATOM 151 CB GLU A 18 9.419 29.871 26.367 1.00 91.82 C
152
+ ATOM 152 CD GLU A 18 11.931 30.213 26.207 1.00 86.95 C
153
+ ATOM 153 CG GLU A 18 10.757 29.282 25.946 1.00 88.89 C
154
+ ATOM 154 N GLU A 18 8.000 29.059 24.530 1.00 92.77 N
155
+ ATOM 155 O GLU A 18 6.586 28.866 27.731 1.00 91.14 O
156
+ ATOM 156 OE1 GLU A 18 11.706 31.379 26.603 1.00 84.96 O
157
+ ATOM 157 OE2 GLU A 18 13.086 29.772 26.013 1.00 84.89 O
158
+ ATOM 158 C ARG A 19 4.083 29.953 26.956 1.00 91.52 C
159
+ ATOM 159 CA ARG A 19 5.163 31.029 26.914 1.00 91.53 C
160
+ ATOM 160 CB ARG A 19 4.641 32.267 26.182 1.00 90.27 C
161
+ ATOM 161 CD ARG A 19 2.906 34.088 26.049 1.00 79.29 C
162
+ ATOM 162 CG ARG A 19 3.496 32.968 26.895 1.00 83.74 C
163
+ ATOM 163 CZ ARG A 19 1.018 33.059 24.828 1.00 70.36 C
164
+ ATOM 164 N ARG A 19 6.377 30.529 26.278 1.00 91.86 N
165
+ ATOM 165 NE ARG A 19 2.246 33.570 24.855 1.00 73.24 N
166
+ ATOM 166 NH1 ARG A 19 0.290 32.987 25.937 1.00 54.77 N
167
+ ATOM 167 NH2 ARG A 19 0.513 32.616 23.685 1.00 50.28 N
168
+ ATOM 168 O ARG A 19 3.409 29.781 27.973 1.00 90.54 O
169
+ ATOM 169 C LEU A 20 3.272 26.966 26.718 1.00 92.33 C
170
+ ATOM 170 CA LEU A 20 2.897 28.156 25.841 1.00 92.39 C
171
+ ATOM 171 CB LEU A 20 2.715 27.699 24.391 1.00 91.78 C
172
+ ATOM 172 CD1 LEU A 20 2.200 28.219 21.994 1.00 87.10 C
173
+ ATOM 173 CD2 LEU A 20 0.650 29.001 23.806 1.00 86.83 C
174
+ ATOM 174 CG LEU A 20 2.101 28.719 23.432 1.00 89.83 C
175
+ ATOM 175 N LEU A 20 3.910 29.203 25.923 1.00 92.38 N
176
+ ATOM 176 O LEU A 20 2.423 26.415 27.422 1.00 91.58 O
177
+ ATOM 177 C LEU A 21 5.099 25.613 28.896 1.00 91.89 C
178
+ ATOM 178 CA LEU A 21 4.968 25.403 27.392 1.00 92.82 C
179
+ ATOM 179 CB LEU A 21 6.305 24.932 26.814 1.00 92.50 C
180
+ ATOM 180 CD1 LEU A 21 7.651 24.171 24.839 1.00 90.87 C
181
+ ATOM 181 CD2 LEU A 21 5.613 22.885 25.537 1.00 90.61 C
182
+ ATOM 182 CG LEU A 21 6.251 24.266 25.437 1.00 92.32 C
183
+ ATOM 183 N LEU A 21 4.529 26.628 26.732 1.00 92.77 N
184
+ ATOM 184 O LEU A 21 5.018 24.656 29.671 1.00 90.34 O
185
+ ATOM 185 C LEU A 22 4.199 27.344 31.443 1.00 88.51 C
186
+ ATOM 186 CA LEU A 22 5.533 27.134 30.735 1.00 89.73 C
187
+ ATOM 187 CB LEU A 22 6.420 28.368 30.917 1.00 88.68 C
188
+ ATOM 188 CD1 LEU A 22 8.616 29.545 30.631 1.00 82.98 C
189
+ ATOM 189 CD2 LEU A 22 8.563 27.173 31.450 1.00 82.68 C
190
+ ATOM 190 CG LEU A 22 7.895 28.204 30.546 1.00 86.57 C
191
+ ATOM 191 N LEU A 22 5.332 26.855 29.317 1.00 90.44 N
192
+ ATOM 192 O LEU A 22 4.167 27.654 32.636 1.00 85.81 O
193
+ ATOM 193 C ASN A 23 1.813 26.051 32.526 1.00 86.64 C
194
+ ATOM 194 CA ASN A 23 1.850 27.112 31.429 1.00 86.66 C
195
+ ATOM 195 CB ASN A 23 0.709 26.887 30.436 1.00 84.81 C
196
+ ATOM 196 CG ASN A 23 -0.658 27.080 31.064 1.00 77.86 C
197
+ ATOM 197 N ASN A 23 3.135 27.122 30.739 1.00 87.67 N
198
+ ATOM 198 ND2 ASN A 23 -1.629 27.489 30.256 1.00 69.75 N
199
+ ATOM 199 O ASN A 23 2.166 24.895 32.290 1.00 84.43 O
200
+ ATOM 200 OD1 ASN A 23 -0.839 26.862 32.264 1.00 71.65 O
201
+ ATOM 201 C ALA A 24 0.729 24.295 34.773 1.00 81.79 C
202
+ ATOM 202 CA ALA A 24 1.562 25.561 34.953 1.00 81.13 C
203
+ ATOM 203 CB ALA A 24 1.098 26.330 36.187 1.00 76.17 C
204
+ ATOM 204 N ALA A 24 1.490 26.409 33.765 1.00 81.25 N
205
+ ATOM 205 O ALA A 24 1.001 23.271 35.405 1.00 78.71 O
206
+ ATOM 206 C GLU A 25 -0.394 22.036 32.916 1.00 85.58 C
207
+ ATOM 207 CA GLU A 25 -1.059 23.098 33.788 1.00 84.22 C
208
+ ATOM 208 CB GLU A 25 -2.391 23.527 33.170 1.00 80.56 C
209
+ ATOM 209 CD GLU A 25 -4.593 24.752 33.493 1.00 68.90 C
210
+ ATOM 210 CG GLU A 25 -3.227 24.423 34.073 1.00 72.18 C
211
+ ATOM 211 N GLU A 25 -0.184 24.251 33.973 1.00 84.20 N
212
+ ATOM 212 O GLU A 25 -0.855 20.893 32.860 1.00 83.66 O
213
+ ATOM 213 OE1 GLU A 25 -4.828 24.470 32.296 1.00 66.64 O
214
+ ATOM 214 OE2 GLU A 25 -5.436 25.296 34.241 1.00 62.00 O
215
+ ATOM 215 C ASN A 26 2.290 20.542 32.239 1.00 86.73 C
216
+ ATOM 216 CA ASN A 26 1.392 21.479 31.437 1.00 87.54 C
217
+ ATOM 217 CB ASN A 26 2.203 22.196 30.356 1.00 86.35 C
218
+ ATOM 218 CG ASN A 26 1.327 22.846 29.303 1.00 85.68 C
219
+ ATOM 219 N ASN A 26 0.721 22.446 32.300 1.00 87.06 N
220
+ ATOM 220 ND2 ASN A 26 1.866 23.846 28.617 1.00 84.98 N
221
+ ATOM 221 O ASN A 26 3.143 20.996 33.004 1.00 84.44 O
222
+ ATOM 222 OD1 ASN A 26 0.174 22.452 29.108 1.00 84.86 O
223
+ ATOM 223 C PRO A 27 4.289 18.347 32.179 1.00 89.49 C
224
+ ATOM 224 CA PRO A 27 2.894 18.344 32.800 1.00 89.06 C
225
+ ATOM 225 CB PRO A 27 2.214 16.985 32.609 1.00 87.85 C
226
+ ATOM 226 CD PRO A 27 0.987 18.515 31.172 1.00 84.81 C
227
+ ATOM 227 CG PRO A 27 1.480 17.103 31.313 1.00 85.25 C
228
+ ATOM 228 N PRO A 27 1.978 19.275 32.136 1.00 88.84 N
229
+ ATOM 229 O PRO A 27 4.475 18.857 31.072 1.00 88.88 O
230
+ ATOM 230 C ARG A 28 6.472 16.719 31.204 1.00 91.12 C
231
+ ATOM 231 CA ARG A 28 6.519 17.600 32.448 1.00 90.37 C
232
+ ATOM 232 CB ARG A 28 7.373 16.934 33.529 1.00 88.82 C
233
+ ATOM 233 CD ARG A 28 9.660 16.217 34.306 1.00 80.30 C
234
+ ATOM 234 CG ARG A 28 8.853 16.862 33.187 1.00 82.92 C
235
+ ATOM 235 CZ ARG A 28 11.998 15.493 34.655 1.00 72.79 C
236
+ ATOM 236 N ARG A 28 5.175 17.868 32.950 1.00 90.02 N
237
+ ATOM 237 NE ARG A 28 11.089 16.216 34.007 1.00 75.19 N
238
+ ATOM 238 NH1 ARG A 28 11.642 14.695 35.656 1.00 61.86 N
239
+ ATOM 239 NH2 ARG A 28 13.273 15.567 34.301 1.00 58.91 N
240
+ ATOM 240 O ARG A 28 5.690 15.768 31.138 1.00 90.63 O
241
+ ATOM 241 C GLY A 29 6.368 16.923 27.853 1.00 93.38 C
242
+ ATOM 242 CA GLY A 29 7.325 16.397 28.905 1.00 93.01 C
243
+ ATOM 243 N GLY A 29 7.291 17.163 30.142 1.00 92.43 N
244
+ ATOM 244 O GLY A 29 6.272 16.363 26.759 1.00 92.93 O
245
+ ATOM 245 C THR A 30 5.716 19.242 26.084 1.00 94.81 C
246
+ ATOM 246 CA THR A 30 4.815 18.666 27.174 1.00 94.50 C
247
+ ATOM 247 CB THR A 30 3.956 19.792 27.779 1.00 93.68 C
248
+ ATOM 248 CG2 THR A 30 3.107 20.471 26.710 1.00 90.13 C
249
+ ATOM 249 N THR A 30 5.608 17.997 28.199 1.00 94.21 N
250
+ ATOM 250 O THR A 30 6.757 19.833 26.380 1.00 94.61 O
251
+ ATOM 251 OG1 THR A 30 3.092 19.240 28.780 1.00 89.03 O
252
+ ATOM 252 C PHE A 31 5.595 19.975 22.554 1.00 95.70 C
253
+ ATOM 253 CA PHE A 31 6.294 19.406 23.782 1.00 95.79 C
254
+ ATOM 254 CB PHE A 31 7.107 18.166 23.396 1.00 95.60 C
255
+ ATOM 255 CD1 PHE A 31 5.525 16.212 23.296 1.00 94.32 C
256
+ ATOM 256 CD2 PHE A 31 6.371 17.097 21.243 1.00 94.05 C
257
+ ATOM 257 CE1 PHE A 31 4.794 15.259 22.591 1.00 93.52 C
258
+ ATOM 258 CE2 PHE A 31 5.645 16.148 20.531 1.00 93.70 C
259
+ ATOM 259 CG PHE A 31 6.319 17.138 22.630 1.00 95.18 C
260
+ ATOM 260 CZ PHE A 31 4.857 15.229 21.206 1.00 93.00 C
261
+ ATOM 261 N PHE A 31 5.328 19.082 24.825 1.00 95.58 N
262
+ ATOM 262 O PHE A 31 4.381 19.822 22.398 1.00 95.41 O
263
+ ATOM 263 C LEU A 32 7.101 21.018 19.396 1.00 95.65 C
264
+ ATOM 264 CA LEU A 32 5.896 20.953 20.328 1.00 95.65 C
265
+ ATOM 265 CB LEU A 32 5.197 22.314 20.374 1.00 95.12 C
266
+ ATOM 266 CD1 LEU A 32 6.965 24.021 19.879 1.00 87.49 C
267
+ ATOM 267 CD2 LEU A 32 5.092 24.577 21.454 1.00 87.05 C
268
+ ATOM 268 CG LEU A 32 6.014 23.477 20.940 1.00 92.72 C
269
+ ATOM 269 N LEU A 32 6.296 20.538 21.669 1.00 95.56 N
270
+ ATOM 270 O LEU A 32 8.244 21.060 19.856 1.00 95.34 O
271
+ ATOM 271 C VAL A 33 7.622 22.352 16.315 1.00 95.47 C
272
+ ATOM 272 CA VAL A 33 7.881 21.076 17.114 1.00 95.77 C
273
+ ATOM 273 CB VAL A 33 7.905 19.853 16.171 1.00 95.29 C
274
+ ATOM 274 CG1 VAL A 33 8.877 20.081 15.015 1.00 92.94 C
275
+ ATOM 275 CG2 VAL A 33 8.279 18.591 16.946 1.00 92.62 C
276
+ ATOM 276 N VAL A 33 6.868 20.932 18.154 1.00 95.78 N
277
+ ATOM 277 O VAL A 33 6.489 22.618 15.907 1.00 94.82 O
278
+ ATOM 278 C ARG A 34 9.658 24.521 14.372 1.00 94.29 C
279
+ ATOM 279 CA ARG A 34 8.535 24.370 15.393 1.00 94.52 C
280
+ ATOM 280 CB ARG A 34 8.552 25.549 16.368 1.00 93.97 C
281
+ ATOM 281 CD ARG A 34 9.691 26.716 18.288 1.00 91.03 C
282
+ ATOM 282 CG ARG A 34 9.769 25.579 17.278 1.00 92.69 C
283
+ ATOM 283 CZ ARG A 34 12.059 27.162 18.842 1.00 87.69 C
284
+ ATOM 284 N ARG A 34 8.649 23.106 16.114 1.00 94.56 N
285
+ ATOM 285 NE ARG A 34 10.847 26.727 19.178 1.00 89.32 N
286
+ ATOM 286 NH1 ARG A 34 12.296 27.633 17.623 1.00 80.49 N
287
+ ATOM 287 NH2 ARG A 34 13.040 27.126 19.731 1.00 79.93 N
288
+ ATOM 288 O ARG A 34 10.645 23.783 14.413 1.00 93.63 O
289
+ ATOM 289 C GLU A 35 11.637 26.658 13.277 1.00 93.03 C
290
+ ATOM 290 CA GLU A 35 10.575 25.825 12.563 1.00 93.43 C
291
+ ATOM 291 CB GLU A 35 10.028 26.591 11.357 1.00 92.37 C
292
+ ATOM 292 CD GLU A 35 8.562 26.543 9.281 1.00 85.24 C
293
+ ATOM 293 CG GLU A 35 9.113 25.763 10.466 1.00 88.10 C
294
+ ATOM 294 N GLU A 35 9.494 25.457 13.472 1.00 93.56 N
295
+ ATOM 295 O GLU A 35 11.314 27.475 14.141 1.00 92.02 O
296
+ ATOM 296 OE1 GLU A 35 9.218 27.511 8.834 1.00 82.33 O
297
+ ATOM 297 OE2 GLU A 35 7.466 26.182 8.798 1.00 82.10 O
298
+ ATOM 298 C SER A 36 13.933 28.555 13.038 1.00 89.81 C
299
+ ATOM 299 CA SER A 36 13.953 27.112 13.531 1.00 90.32 C
300
+ ATOM 300 CB SER A 36 15.300 26.469 13.198 1.00 89.20 C
301
+ ATOM 301 N SER A 36 12.860 26.339 12.948 1.00 90.64 N
302
+ ATOM 302 O SER A 36 13.717 28.808 11.851 1.00 88.41 O
303
+ ATOM 303 OG SER A 36 16.369 27.274 13.665 1.00 85.05 O
304
+ ATOM 304 C GLU A 37 15.636 31.175 12.963 1.00 86.89 C
305
+ ATOM 305 CA GLU A 37 14.286 30.843 13.594 1.00 87.94 C
306
+ ATOM 306 CB GLU A 37 14.035 31.746 14.804 1.00 86.26 C
307
+ ATOM 307 CD GLU A 37 12.425 32.449 16.640 1.00 79.39 C
308
+ ATOM 308 CG GLU A 37 12.626 31.639 15.368 1.00 81.29 C
309
+ ATOM 309 N GLU A 37 14.217 29.437 13.980 1.00 88.70 N
310
+ ATOM 310 O GLU A 37 15.726 32.063 12.112 1.00 84.43 O
311
+ ATOM 311 OE1 GLU A 37 12.775 31.954 17.735 1.00 75.53 O
312
+ ATOM 312 OE2 GLU A 37 11.914 33.587 16.538 1.00 75.12 O
313
+ ATOM 313 C THR A 38 18.501 30.048 11.779 1.00 85.65 C
314
+ ATOM 314 CA THR A 38 17.963 30.860 12.954 1.00 86.55 C
315
+ ATOM 315 CB THR A 38 18.916 30.720 14.155 1.00 84.90 C
316
+ ATOM 316 CG2 THR A 38 18.505 31.649 15.294 1.00 76.48 C
317
+ ATOM 317 N THR A 38 16.610 30.438 13.299 1.00 87.42 N
318
+ ATOM 318 O THR A 38 19.457 30.458 11.119 1.00 83.17 O
319
+ ATOM 319 OG1 THR A 38 18.889 29.367 14.624 1.00 78.54 O
320
+ ATOM 320 C THR A 39 17.213 27.656 9.592 1.00 85.07 C
321
+ ATOM 321 CA THR A 39 18.362 27.994 10.537 1.00 85.26 C
322
+ ATOM 322 CB THR A 39 18.960 26.695 11.109 1.00 83.86 C
323
+ ATOM 323 CG2 THR A 39 19.597 25.852 10.009 1.00 79.15 C
324
+ ATOM 324 N THR A 39 17.913 28.882 11.603 1.00 85.62 N
325
+ ATOM 325 O THR A 39 16.247 27.004 9.990 1.00 83.49 O
326
+ ATOM 326 OG1 THR A 39 19.958 27.022 12.083 1.00 78.25 O
327
+ ATOM 327 C LYS A 40 16.180 26.389 7.109 1.00 83.98 C
328
+ ATOM 328 CA LYS A 40 16.302 27.882 7.403 1.00 84.13 C
329
+ ATOM 329 CB LYS A 40 16.613 28.646 6.115 1.00 81.85 C
330
+ ATOM 330 CD LYS A 40 15.825 29.454 3.865 1.00 73.87 C
331
+ ATOM 331 CE LYS A 40 14.715 29.396 2.824 1.00 65.28 C
332
+ ATOM 332 CG LYS A 40 15.491 28.610 5.087 1.00 76.40 C
333
+ ATOM 333 N LYS A 40 17.327 28.137 8.410 1.00 84.44 N
334
+ ATOM 334 NZ LYS A 40 15.035 30.227 1.625 1.00 60.97 N
335
+ ATOM 335 O LYS A 40 17.180 25.718 6.854 1.00 82.00 O
336
+ ATOM 336 C GLY A 41 14.856 23.661 7.996 1.00 83.87 C
337
+ ATOM 337 CA GLY A 41 14.668 24.610 6.828 1.00 83.53 C
338
+ ATOM 338 N GLY A 41 14.929 25.999 7.171 1.00 83.69 N
339
+ ATOM 339 O GLY A 41 14.567 22.468 7.886 1.00 82.40 O
340
+ ATOM 340 C ALA A 42 14.455 23.405 11.225 1.00 89.61 C
341
+ ATOM 341 CA ALA A 42 15.655 23.291 10.286 1.00 88.39 C
342
+ ATOM 342 CB ALA A 42 16.936 23.688 11.014 1.00 86.82 C
343
+ ATOM 343 N ALA A 42 15.469 24.116 9.095 1.00 88.21 N
344
+ ATOM 344 O ALA A 42 13.658 24.337 11.110 1.00 89.40 O
345
+ ATOM 345 C TYR A 43 13.784 22.431 14.474 1.00 93.55 C
346
+ ATOM 346 CA TYR A 43 13.210 22.467 13.063 1.00 93.54 C
347
+ ATOM 347 CB TYR A 43 12.291 21.261 12.843 1.00 92.93 C
348
+ ATOM 348 CD1 TYR A 43 10.440 21.914 11.252 1.00 88.94 C
349
+ ATOM 349 CD2 TYR A 43 12.210 20.539 10.427 1.00 88.86 C
350
+ ATOM 350 CE1 TYR A 43 9.831 21.893 10.001 1.00 88.95 C
351
+ ATOM 351 CE2 TYR A 43 11.611 20.512 9.171 1.00 89.11 C
352
+ ATOM 352 CG TYR A 43 11.636 21.238 11.482 1.00 91.51 C
353
+ ATOM 353 CZ TYR A 43 10.423 21.191 8.969 1.00 88.16 C
354
+ ATOM 354 N TYR A 43 14.275 22.487 12.066 1.00 93.15 N
355
+ ATOM 355 O TYR A 43 14.963 22.124 14.664 1.00 93.09 O
356
+ ATOM 356 OH TYR A 43 9.826 21.167 7.729 1.00 84.75 O
357
+ ATOM 357 C CYS A 44 12.267 21.909 17.617 1.00 95.12 C
358
+ ATOM 358 CA CYS A 44 13.337 22.640 16.815 1.00 94.88 C
359
+ ATOM 359 CB CYS A 44 13.537 24.047 17.378 1.00 93.42 C
360
+ ATOM 360 N CYS A 44 12.981 22.701 15.402 1.00 94.75 N
361
+ ATOM 361 O CYS A 44 11.073 22.074 17.361 1.00 94.76 O
362
+ ATOM 362 SG CYS A 44 14.952 24.920 16.672 1.00 64.22 S
363
+ ATOM 363 C LEU A 45 11.953 21.179 20.773 1.00 95.51 C
364
+ ATOM 364 CA LEU A 45 11.870 20.439 19.442 1.00 95.57 C
365
+ ATOM 365 CB LEU A 45 12.296 18.980 19.628 1.00 95.12 C
366
+ ATOM 366 CD1 LEU A 45 10.132 17.993 20.422 1.00 90.44 C
367
+ ATOM 367 CD2 LEU A 45 12.305 16.879 21.002 1.00 90.19 C
368
+ ATOM 368 CG LEU A 45 11.604 18.211 20.755 1.00 93.61 C
369
+ ATOM 369 N LEU A 45 12.701 21.089 18.433 1.00 95.45 N
370
+ ATOM 370 O LEU A 45 13.045 21.376 21.312 1.00 95.11 O
371
+ ATOM 371 C SER A 46 10.030 21.435 23.609 1.00 94.87 C
372
+ ATOM 372 CA SER A 46 10.793 22.294 22.605 1.00 95.01 C
373
+ ATOM 373 CB SER A 46 10.127 23.664 22.482 1.00 94.42 C
374
+ ATOM 374 N SER A 46 10.869 21.641 21.302 1.00 94.90 N
375
+ ATOM 375 O SER A 46 8.918 20.985 23.328 1.00 94.37 O
376
+ ATOM 376 OG SER A 46 10.867 24.508 21.617 1.00 89.39 O
377
+ ATOM 377 C VAL A 47 10.054 20.976 27.102 1.00 94.08 C
378
+ ATOM 378 CA VAL A 47 10.032 20.327 25.721 1.00 94.45 C
379
+ ATOM 379 CB VAL A 47 10.794 18.984 25.749 1.00 93.52 C
380
+ ATOM 380 CG1 VAL A 47 10.064 17.967 26.625 1.00 84.64 C
381
+ ATOM 381 CG2 VAL A 47 10.975 18.442 24.332 1.00 83.99 C
382
+ ATOM 382 N VAL A 47 10.596 21.243 24.735 1.00 94.49 N
383
+ ATOM 383 O VAL A 47 11.078 21.523 27.520 1.00 93.08 O
384
+ ATOM 384 C SER A 48 9.526 20.460 30.141 1.00 92.11 C
385
+ ATOM 385 CA SER A 48 8.867 21.429 29.165 1.00 92.49 C
386
+ ATOM 386 CB SER A 48 7.416 21.678 29.582 1.00 91.12 C
387
+ ATOM 387 N SER A 48 8.928 20.927 27.797 1.00 92.82 N
388
+ ATOM 388 O SER A 48 9.390 19.242 30.001 1.00 90.86 O
389
+ ATOM 389 OG SER A 48 6.696 20.458 29.641 1.00 76.50 O
390
+ ATOM 390 C ASP A 49 10.823 21.014 33.394 1.00 88.81 C
391
+ ATOM 391 CA ASP A 49 10.941 20.291 32.054 1.00 89.98 C
392
+ ATOM 392 CB ASP A 49 12.413 20.053 31.713 1.00 89.00 C
393
+ ATOM 393 CG ASP A 49 13.029 18.912 32.504 1.00 86.62 C
394
+ ATOM 394 N ASP A 49 10.284 21.045 30.991 1.00 90.63 N
395
+ ATOM 395 O ASP A 49 10.464 22.193 33.440 1.00 86.70 O
396
+ ATOM 396 OD1 ASP A 49 12.280 18.121 33.117 1.00 85.30 O
397
+ ATOM 397 OD2 ASP A 49 14.274 18.805 32.517 1.00 84.20 O
398
+ ATOM 398 C PHE A 50 12.148 20.376 36.524 1.00 84.42 C
399
+ ATOM 399 CA PHE A 50 10.916 20.839 35.755 1.00 85.75 C
400
+ ATOM 400 CB PHE A 50 9.645 20.426 36.503 1.00 83.56 C
401
+ ATOM 401 CD1 PHE A 50 8.996 22.280 38.075 1.00 74.19 C
402
+ ATOM 402 CD2 PHE A 50 9.972 20.299 38.992 1.00 74.58 C
403
+ ATOM 403 CE1 PHE A 50 8.893 22.826 39.352 1.00 73.47 C
404
+ ATOM 404 CE2 PHE A 50 9.873 20.838 40.271 1.00 73.68 C
405
+ ATOM 405 CG PHE A 50 9.535 21.014 37.884 1.00 78.87 C
406
+ ATOM 406 CZ PHE A 50 9.334 22.102 40.449 1.00 70.33 C
407
+ ATOM 407 N PHE A 50 10.916 20.295 34.403 1.00 86.20 N
408
+ ATOM 408 O PHE A 50 12.451 19.181 36.560 1.00 81.30 O
409
+ ATOM 409 C ASP A 51 14.006 21.728 39.091 1.00 82.47 C
410
+ ATOM 410 CA ASP A 51 14.185 21.064 37.729 1.00 82.00 C
411
+ ATOM 411 CB ASP A 51 15.465 21.569 37.061 1.00 78.76 C
412
+ ATOM 412 CG ASP A 51 16.702 21.360 37.916 1.00 71.11 C
413
+ ATOM 413 N ASP A 51 13.029 21.306 36.871 1.00 82.12 N
414
+ ATOM 414 O ASP A 51 13.528 22.862 39.178 1.00 80.64 O
415
+ ATOM 415 OD1 ASP A 51 17.022 22.233 38.751 1.00 64.70 O
416
+ ATOM 416 OD2 ASP A 51 17.365 20.313 37.750 1.00 67.69 O
417
+ ATOM 417 C ASN A 52 14.738 22.780 41.847 1.00 79.62 C
418
+ ATOM 418 CA ASN A 52 14.029 21.447 41.620 1.00 80.04 C
419
+ ATOM 419 CB ASN A 52 14.503 20.414 42.645 1.00 75.96 C
420
+ ATOM 420 CG ASN A 52 13.596 19.201 42.712 1.00 70.23 C
421
+ ATOM 421 N ASN A 52 14.235 20.954 40.263 1.00 79.42 N
422
+ ATOM 422 ND2 ASN A 52 14.144 18.074 43.150 1.00 67.08 N
423
+ ATOM 423 O ASN A 52 14.229 23.645 42.562 1.00 77.10 O
424
+ ATOM 424 OD1 ASN A 52 12.412 19.276 42.373 1.00 68.31 O
425
+ ATOM 425 C ALA A 53 16.111 25.233 40.562 1.00 79.61 C
426
+ ATOM 426 CA ALA A 53 16.619 24.094 41.440 1.00 80.27 C
427
+ ATOM 427 CB ALA A 53 18.093 23.820 41.150 1.00 76.21 C
428
+ ATOM 428 N ALA A 53 15.826 22.883 41.241 1.00 79.76 N
429
+ ATOM 429 O ALA A 53 15.992 26.373 41.019 1.00 77.68 O
430
+ ATOM 430 C LYS A 54 13.911 26.287 38.222 1.00 79.68 C
431
+ ATOM 431 CA LYS A 54 15.415 26.087 38.393 1.00 79.44 C
432
+ ATOM 432 CB LYS A 54 16.054 25.743 37.047 1.00 76.53 C
433
+ ATOM 433 CD LYS A 54 18.150 25.451 35.685 1.00 68.37 C
434
+ ATOM 434 CE LYS A 54 19.673 25.414 35.712 1.00 60.85 C
435
+ ATOM 435 CG LYS A 54 17.575 25.773 37.058 1.00 70.82 C
436
+ ATOM 436 N LYS A 54 15.697 25.044 39.376 1.00 79.92 N
437
+ ATOM 437 NZ LYS A 54 20.239 25.014 34.389 1.00 54.91 N
438
+ ATOM 438 O LYS A 54 13.469 27.338 37.752 1.00 77.03 O
439
+ ATOM 439 C GLY A 55 11.366 24.990 37.099 1.00 83.37 C
440
+ ATOM 440 CA GLY A 55 11.725 25.351 38.528 1.00 83.01 C
441
+ ATOM 441 N GLY A 55 13.152 25.277 38.796 1.00 82.76 N
442
+ ATOM 442 O GLY A 55 12.073 24.213 36.454 1.00 81.04 O
443
+ ATOM 443 C LEU A 56 10.650 25.739 34.223 1.00 85.98 C
444
+ ATOM 444 CA LEU A 56 9.749 25.118 35.285 1.00 85.37 C
445
+ ATOM 445 CB LEU A 56 8.318 25.640 35.124 1.00 82.56 C
446
+ ATOM 446 CD1 LEU A 56 5.934 25.666 35.903 1.00 68.27 C
447
+ ATOM 447 CD2 LEU A 56 6.986 23.512 35.157 1.00 68.65 C
448
+ ATOM 448 CG LEU A 56 7.223 24.852 35.846 1.00 75.10 C
449
+ ATOM 449 N LEU A 56 10.249 25.405 36.625 1.00 85.20 N
450
+ ATOM 450 O LEU A 56 11.023 26.910 34.326 1.00 84.10 O
451
+ ATOM 451 C ASN A 57 11.615 24.708 30.879 1.00 90.74 C
452
+ ATOM 452 CA ASN A 57 11.901 25.460 32.176 1.00 89.81 C
453
+ ATOM 453 CB ASN A 57 13.388 25.371 32.524 1.00 87.94 C
454
+ ATOM 454 CG ASN A 57 13.850 23.946 32.756 1.00 80.76 C
455
+ ATOM 455 N ASN A 57 11.086 24.957 33.277 1.00 89.71 N
456
+ ATOM 456 ND2 ASN A 57 14.226 23.638 33.992 1.00 74.54 N
457
+ ATOM 457 O ASN A 57 10.828 23.761 30.867 1.00 90.11 O
458
+ ATOM 458 OD1 ASN A 57 13.870 23.129 31.832 1.00 75.77 O
459
+ ATOM 459 C VAL A 58 13.241 24.297 27.883 1.00 92.06 C
460
+ ATOM 460 CA VAL A 58 11.879 24.589 28.509 1.00 92.24 C
461
+ ATOM 461 CB VAL A 58 11.052 25.510 27.583 1.00 91.32 C
462
+ ATOM 462 CG1 VAL A 58 10.911 24.890 26.193 1.00 86.43 C
463
+ ATOM 463 CG2 VAL A 58 9.680 25.784 28.191 1.00 85.67 C
464
+ ATOM 464 N VAL A 58 12.060 25.181 29.830 1.00 91.83 N
465
+ ATOM 465 O VAL A 58 14.122 25.160 27.868 1.00 91.18 O
466
+ ATOM 466 C LYS A 59 14.391 22.720 25.211 1.00 93.08 C
467
+ ATOM 467 CA LYS A 59 14.656 22.748 26.714 1.00 92.62 C
468
+ ATOM 468 CB LYS A 59 15.169 21.385 27.180 1.00 91.07 C
469
+ ATOM 469 CD LYS A 59 16.733 22.199 28.979 1.00 76.25 C
470
+ ATOM 470 CE LYS A 59 17.092 22.137 30.457 1.00 68.19 C
471
+ ATOM 471 CG LYS A 59 15.522 21.331 28.660 1.00 80.91 C
472
+ ATOM 472 N LYS A 59 13.455 23.125 27.453 1.00 92.59 N
473
+ ATOM 473 NZ LYS A 59 18.297 22.961 30.769 1.00 59.63 N
474
+ ATOM 474 O LYS A 59 13.359 22.213 24.767 1.00 92.62 O
475
+ ATOM 475 C HIS A 60 16.245 22.452 22.380 1.00 92.98 C
476
+ ATOM 476 CA HIS A 60 15.186 23.329 23.037 1.00 93.54 C
477
+ ATOM 477 CB HIS A 60 15.320 24.772 22.545 1.00 92.75 C
478
+ ATOM 478 CD2 HIS A 60 14.545 26.560 24.258 1.00 88.30 C
479
+ ATOM 479 CE1 HIS A 60 12.479 26.783 23.561 1.00 88.75 C
480
+ ATOM 480 CG HIS A 60 14.375 25.722 23.207 1.00 91.14 C
481
+ ATOM 481 N HIS A 60 15.283 23.274 24.490 1.00 93.22 N
482
+ ATOM 482 ND1 HIS A 60 13.071 25.884 22.793 1.00 88.18 N
483
+ ATOM 483 NE2 HIS A 60 13.351 27.208 24.458 1.00 89.82 N
484
+ ATOM 484 O HIS A 60 17.427 22.535 22.722 1.00 91.99 O
485
+ ATOM 485 C TYR A 61 16.588 20.973 19.298 1.00 93.47 C
486
+ ATOM 486 CA TYR A 61 16.675 20.724 20.799 1.00 93.80 C
487
+ ATOM 487 CB TYR A 61 16.340 19.262 21.106 1.00 93.52 C
488
+ ATOM 488 CD1 TYR A 61 17.631 18.485 23.134 1.00 92.04 C
489
+ ATOM 489 CD2 TYR A 61 15.316 19.010 23.398 1.00 91.79 C
490
+ ATOM 490 CE1 TYR A 61 17.719 18.160 24.484 1.00 91.12 C
491
+ ATOM 491 CE2 TYR A 61 15.391 18.688 24.749 1.00 91.23 C
492
+ ATOM 492 CG TYR A 61 16.430 18.912 22.572 1.00 93.11 C
493
+ ATOM 493 CZ TYR A 61 16.596 18.266 25.282 1.00 90.79 C
494
+ ATOM 494 N TYR A 61 15.783 21.618 21.529 1.00 93.70 N
495
+ ATOM 495 O TYR A 61 15.509 20.872 18.709 1.00 92.75 O
496
+ ATOM 496 OH TYR A 61 16.677 17.946 26.619 1.00 88.29 O
497
+ ATOM 497 C LYS A 62 17.530 20.067 16.535 1.00 92.85 C
498
+ ATOM 498 CA LYS A 62 17.708 21.411 17.235 1.00 92.67 C
499
+ ATOM 499 CB LYS A 62 19.012 22.070 16.782 1.00 91.14 C
500
+ ATOM 500 CD LYS A 62 20.268 23.278 14.966 1.00 80.21 C
501
+ ATOM 501 CE LYS A 62 20.236 23.760 13.521 1.00 71.69 C
502
+ ATOM 502 CG LYS A 62 19.029 22.463 15.312 1.00 83.73 C
503
+ ATOM 503 N LYS A 62 17.690 21.254 18.687 1.00 92.70 N
504
+ ATOM 504 NZ LYS A 62 21.405 24.632 13.202 1.00 63.78 N
505
+ ATOM 505 O LYS A 62 18.218 19.096 16.859 1.00 92.19 O
506
+ ATOM 506 C ILE A 63 17.080 19.165 13.386 1.00 92.08 C
507
+ ATOM 507 CA ILE A 63 16.378 18.884 14.713 1.00 93.37 C
508
+ ATOM 508 CB ILE A 63 14.887 18.556 14.473 1.00 93.05 C
509
+ ATOM 509 CD1 ILE A 63 12.652 18.310 15.701 1.00 91.04 C
510
+ ATOM 510 CG1 ILE A 63 14.171 18.317 15.806 1.00 92.29 C
511
+ ATOM 511 CG2 ILE A 63 14.743 17.344 13.548 1.00 91.90 C
512
+ ATOM 512 N ILE A 63 16.536 20.027 15.605 1.00 93.51 N
513
+ ATOM 513 O ILE A 63 16.698 20.083 12.657 1.00 90.12 O
514
+ ATOM 514 C ARG A 64 18.365 17.579 10.850 1.00 89.72 C
515
+ ATOM 515 CA ARG A 64 18.833 18.553 11.927 1.00 89.67 C
516
+ ATOM 516 CB ARG A 64 20.328 18.359 12.195 1.00 87.69 C
517
+ ATOM 517 CD ARG A 64 22.381 19.079 13.463 1.00 78.77 C
518
+ ATOM 518 CG ARG A 64 20.909 19.354 13.186 1.00 80.28 C
519
+ ATOM 519 CZ ARG A 64 24.199 20.036 14.839 1.00 68.97 C
520
+ ATOM 520 N ARG A 64 18.066 18.384 13.156 1.00 90.25 N
521
+ ATOM 521 NE ARG A 64 22.941 20.040 14.409 1.00 72.53 N
522
+ ATOM 522 NH1 ARG A 64 25.058 19.116 14.414 1.00 62.15 N
523
+ ATOM 523 NH2 ARG A 64 24.604 20.958 15.700 1.00 59.42 N
524
+ ATOM 524 O ARG A 64 17.848 16.505 11.160 1.00 88.53 O
525
+ ATOM 525 C LYS A 65 19.394 16.795 7.747 1.00 86.63 C
526
+ ATOM 526 CA LYS A 65 18.134 17.209 8.504 1.00 87.16 C
527
+ ATOM 527 CB LYS A 65 17.192 17.972 7.572 1.00 85.06 C
528
+ ATOM 528 CD LYS A 65 15.595 17.909 5.626 1.00 77.80 C
529
+ ATOM 529 CE LYS A 65 14.999 17.057 4.516 1.00 71.29 C
530
+ ATOM 530 CG LYS A 65 16.609 17.125 6.451 1.00 79.09 C
531
+ ATOM 531 N LYS A 65 18.465 18.017 9.674 1.00 87.79 N
532
+ ATOM 532 NZ LYS A 65 14.079 17.847 3.644 1.00 66.96 N
533
+ ATOM 533 O LYS A 65 20.259 17.627 7.469 1.00 84.57 O
534
+ ATOM 534 C LEU A 66 20.378 15.382 5.174 1.00 85.67 C
535
+ ATOM 535 CA LEU A 66 20.600 15.059 6.648 1.00 86.09 C
536
+ ATOM 536 CB LEU A 66 20.771 13.548 6.831 1.00 84.40 C
537
+ ATOM 537 CD1 LEU A 66 21.060 11.566 8.338 1.00 74.01 C
538
+ ATOM 538 CD2 LEU A 66 22.647 13.503 8.498 1.00 74.10 C
539
+ ATOM 539 CG LEU A 66 21.210 13.078 8.219 1.00 79.24 C
540
+ ATOM 540 N LEU A 66 19.493 15.550 7.460 1.00 86.47 N
541
+ ATOM 541 O LEU A 66 19.238 15.557 4.738 1.00 83.73 O
542
+ ATOM 542 C ASP A 67 20.493 14.554 2.330 1.00 82.34 C
543
+ ATOM 543 CA ASP A 67 21.348 15.650 2.961 1.00 82.91 C
544
+ ATOM 544 CB ASP A 67 22.735 15.676 2.313 1.00 80.06 C
545
+ ATOM 545 CG ASP A 67 23.539 16.910 2.683 1.00 74.31 C
546
+ ATOM 546 N ASP A 67 21.460 15.462 4.404 1.00 82.68 N
547
+ ATOM 547 O ASP A 67 19.779 14.800 1.355 1.00 80.31 O
548
+ ATOM 548 OD1 ASP A 67 22.938 17.938 3.062 1.00 72.32 O
549
+ ATOM 549 OD2 ASP A 67 24.784 16.853 2.589 1.00 76.76 O
550
+ ATOM 550 C SER A 68 18.388 12.296 2.765 1.00 82.00 C
551
+ ATOM 551 CA SER A 68 19.861 12.220 2.381 1.00 83.01 C
552
+ ATOM 552 CB SER A 68 20.463 10.910 2.892 1.00 80.47 C
553
+ ATOM 553 N SER A 68 20.603 13.362 2.904 1.00 83.96 N
554
+ ATOM 554 O SER A 68 17.583 11.472 2.326 1.00 78.82 O
555
+ ATOM 555 OG SER A 68 20.424 10.857 4.307 1.00 72.59 O
556
+ ATOM 556 C GLY A 69 16.317 13.077 5.338 1.00 82.77 C
557
+ ATOM 557 CA GLY A 69 16.643 13.539 3.930 1.00 82.99 C
558
+ ATOM 558 N GLY A 69 18.036 13.331 3.568 1.00 83.01 N
559
+ ATOM 559 O GLY A 69 15.192 13.252 5.810 1.00 79.82 O
560
+ ATOM 560 C GLY A 70 16.969 13.078 8.470 1.00 87.60 C
561
+ ATOM 561 CA GLY A 70 16.924 11.972 7.432 1.00 87.36 C
562
+ ATOM 562 N GLY A 70 17.163 12.448 6.078 1.00 87.08 N
563
+ ATOM 563 O GLY A 70 17.627 14.101 8.266 1.00 85.71 O
564
+ ATOM 564 C PHE A 71 16.827 13.284 11.933 1.00 91.14 C
565
+ ATOM 565 CA PHE A 71 16.165 13.844 10.680 1.00 91.33 C
566
+ ATOM 566 CB PHE A 71 14.717 14.240 10.985 1.00 90.44 C
567
+ ATOM 567 CD1 PHE A 71 14.071 16.280 9.662 1.00 86.67 C
568
+ ATOM 568 CD2 PHE A 71 13.295 14.146 8.915 1.00 87.01 C
569
+ ATOM 569 CE1 PHE A 71 13.420 16.896 8.595 1.00 88.17 C
570
+ ATOM 570 CE2 PHE A 71 12.642 14.755 7.846 1.00 88.11 C
571
+ ATOM 571 CG PHE A 71 14.014 14.902 9.832 1.00 89.13 C
572
+ ATOM 572 CZ PHE A 71 12.706 16.129 7.688 1.00 87.13 C
573
+ ATOM 573 N PHE A 71 16.213 12.875 9.592 1.00 90.40 N
574
+ ATOM 574 O PHE A 71 16.749 12.083 12.199 1.00 90.27 O
575
+ ATOM 575 C TYR A 72 18.250 14.862 14.831 1.00 91.03 C
576
+ ATOM 576 CA TYR A 72 18.015 13.702 13.870 1.00 91.13 C
577
+ ATOM 577 CB TYR A 72 19.336 12.978 13.594 1.00 90.10 C
578
+ ATOM 578 CD1 TYR A 72 20.447 14.164 11.660 1.00 84.37 C
579
+ ATOM 579 CD2 TYR A 72 21.389 14.423 13.839 1.00 84.94 C
580
+ ATOM 580 CE1 TYR A 72 21.435 14.986 11.127 1.00 84.80 C
581
+ ATOM 581 CE2 TYR A 72 22.383 15.246 13.318 1.00 85.39 C
582
+ ATOM 582 CG TYR A 72 20.409 13.872 13.021 1.00 87.76 C
583
+ ATOM 583 CZ TYR A 72 22.397 15.521 11.962 1.00 82.79 C
584
+ ATOM 584 N TYR A 72 17.416 14.170 12.625 1.00 90.72 N
585
+ ATOM 585 O TYR A 72 18.365 16.014 14.407 1.00 90.11 O
586
+ ATOM 586 OH TYR A 72 23.378 16.334 11.441 1.00 78.22 O
587
+ ATOM 587 C ILE A 73 20.071 14.985 17.644 1.00 87.78 C
588
+ ATOM 588 CA ILE A 73 18.655 15.355 17.210 1.00 90.75 C
589
+ ATOM 589 CB ILE A 73 17.696 15.314 18.420 1.00 89.45 C
590
+ ATOM 590 CD1 ILE A 73 15.268 15.753 19.115 1.00 81.96 C
591
+ ATOM 591 CG1 ILE A 73 16.341 15.927 18.048 1.00 84.32 C
592
+ ATOM 592 CG2 ILE A 73 18.311 16.037 19.623 1.00 83.05 C
593
+ ATOM 593 N ILE A 73 18.215 14.456 16.149 1.00 90.76 N
594
+ ATOM 594 O ILE A 73 20.933 15.857 17.785 1.00 83.89 O
595
+ ATOM 595 C THR A 74 22.005 12.276 16.922 1.00 84.61 C
596
+ ATOM 596 CA THR A 74 21.601 13.123 18.126 1.00 84.42 C
597
+ ATOM 597 CB THR A 74 21.634 12.259 19.399 1.00 81.97 C
598
+ ATOM 598 CG2 THR A 74 21.035 13.006 20.587 1.00 71.46 C
599
+ ATOM 599 N THR A 74 20.283 13.717 17.922 1.00 85.58 N
600
+ ATOM 600 O THR A 74 21.171 11.580 16.340 1.00 82.14 O
601
+ ATOM 601 OG1 THR A 74 20.882 11.060 19.176 1.00 71.53 O
602
+ ATOM 602 C SER A 75 23.570 10.177 15.337 1.00 79.58 C
603
+ ATOM 603 CA SER A 75 23.682 11.694 15.243 1.00 79.16 C
604
+ ATOM 604 CB SER A 75 25.127 12.089 14.937 1.00 74.93 C
605
+ ATOM 605 N SER A 75 23.224 12.335 16.471 1.00 79.17 N
606
+ ATOM 606 O SER A 75 23.610 9.481 14.320 1.00 76.42 O
607
+ ATOM 607 OG SER A 75 25.976 11.774 16.027 1.00 67.32 O
608
+ ATOM 608 C ARG A 76 21.994 7.553 16.188 1.00 82.39 C
609
+ ATOM 609 CA ARG A 76 23.346 8.139 16.582 1.00 81.97 C
610
+ ATOM 610 CB ARG A 76 23.676 7.768 18.030 1.00 78.38 C
611
+ ATOM 611 CD ARG A 76 25.397 7.645 19.864 1.00 67.21 C
612
+ ATOM 612 CG ARG A 76 25.101 8.099 18.442 1.00 70.30 C
613
+ ATOM 613 CZ ARG A 76 27.227 7.858 21.513 1.00 59.83 C
614
+ ATOM 614 N ARG A 76 23.362 9.587 16.407 1.00 82.25 N
615
+ ATOM 615 NE ARG A 76 26.731 8.053 20.294 1.00 57.74 N
616
+ ATOM 616 NH1 ARG A 76 26.507 7.254 22.450 1.00 45.48 N
617
+ ATOM 617 NH2 ARG A 76 28.454 8.271 21.796 1.00 40.97 N
618
+ ATOM 618 O ARG A 76 21.896 6.370 15.856 1.00 79.84 O
619
+ ATOM 619 C THR A 77 19.077 8.792 14.819 1.00 85.98 C
620
+ ATOM 620 CA THR A 77 19.741 7.891 15.856 1.00 85.75 C
621
+ ATOM 621 CB THR A 77 18.865 7.825 17.120 1.00 83.14 C
622
+ ATOM 622 CG2 THR A 77 17.536 7.134 16.832 1.00 74.21 C
623
+ ATOM 623 N THR A 77 21.085 8.365 16.168 1.00 85.49 N
624
+ ATOM 624 O THR A 77 18.832 9.972 15.080 1.00 84.30 O
625
+ ATOM 625 OG1 THR A 77 19.559 7.095 18.139 1.00 75.82 O
626
+ ATOM 626 C GLN A 78 16.844 8.471 12.215 1.00 90.40 C
627
+ ATOM 627 CA GLN A 78 18.240 8.978 12.567 1.00 89.94 C
628
+ ATOM 628 CB GLN A 78 19.149 8.909 11.339 1.00 87.57 C
629
+ ATOM 629 CD GLN A 78 21.480 9.214 10.402 1.00 73.94 C
630
+ ATOM 630 CG GLN A 78 20.561 9.417 11.592 1.00 78.12 C
631
+ ATOM 631 N GLN A 78 18.812 8.217 13.673 1.00 89.51 N
632
+ ATOM 632 NE2 GLN A 78 22.773 9.444 10.604 1.00 64.83 N
633
+ ATOM 633 O GLN A 78 16.550 7.284 12.374 1.00 89.41 O
634
+ ATOM 634 OE1 GLN A 78 21.032 8.852 9.310 1.00 71.36 O
635
+ ATOM 635 C PHE A 79 14.363 9.610 9.907 1.00 91.25 C
636
+ ATOM 636 CA PHE A 79 14.728 9.087 11.291 1.00 91.47 C
637
+ ATOM 637 CB PHE A 79 13.760 9.649 12.337 1.00 91.09 C
638
+ ATOM 638 CD1 PHE A 79 13.632 8.050 14.275 1.00 88.92 C
639
+ ATOM 639 CD2 PHE A 79 14.871 10.077 14.550 1.00 88.96 C
640
+ ATOM 640 CE1 PHE A 79 13.940 7.678 15.582 1.00 89.05 C
641
+ ATOM 641 CE2 PHE A 79 15.182 9.713 15.858 1.00 89.30 C
642
+ ATOM 642 CG PHE A 79 14.095 9.251 13.749 1.00 90.59 C
643
+ ATOM 643 CZ PHE A 79 14.715 8.514 16.371 1.00 88.43 C
644
+ ATOM 644 N PHE A 79 16.105 9.428 11.628 1.00 90.93 N
645
+ ATOM 645 O PHE A 79 14.852 10.661 9.487 1.00 90.47 O
646
+ ATOM 646 C ASN A 80 12.036 10.348 7.920 1.00 91.15 C
647
+ ATOM 647 CA ASN A 80 13.069 9.224 7.931 1.00 91.05 C
648
+ ATOM 648 CB ASN A 80 12.531 8.001 7.185 1.00 89.19 C
649
+ ATOM 649 CG ASN A 80 13.602 6.963 6.916 1.00 80.87 C
650
+ ATOM 650 N ASN A 80 13.456 8.866 9.291 1.00 91.17 N
651
+ ATOM 651 ND2 ASN A 80 13.202 5.698 6.865 1.00 73.05 N
652
+ ATOM 652 O ASN A 80 11.772 10.945 6.875 1.00 89.91 O
653
+ ATOM 653 OD1 ASN A 80 14.779 7.296 6.757 1.00 73.44 O
654
+ ATOM 654 C SER A 81 10.383 12.232 10.518 1.00 93.09 C
655
+ ATOM 655 CA SER A 81 10.440 11.655 9.108 1.00 92.34 C
656
+ ATOM 656 CB SER A 81 9.066 11.115 8.713 1.00 91.32 C
657
+ ATOM 657 N SER A 81 11.450 10.607 9.005 1.00 91.78 N
658
+ ATOM 658 O SER A 81 10.842 11.600 11.472 1.00 92.95 O
659
+ ATOM 659 OG SER A 81 8.591 10.193 9.680 1.00 87.48 O
660
+ ATOM 660 C LEU A 82 8.670 13.258 12.768 1.00 94.44 C
661
+ ATOM 661 CA LEU A 82 9.639 14.074 11.920 1.00 93.96 C
662
+ ATOM 662 CB LEU A 82 9.119 15.506 11.766 1.00 92.46 C
663
+ ATOM 663 CD1 LEU A 82 9.417 17.861 10.958 1.00 73.58 C
664
+ ATOM 664 CD2 LEU A 82 11.258 16.733 12.238 1.00 73.44 C
665
+ ATOM 665 CG LEU A 82 10.120 16.538 11.241 1.00 84.05 C
666
+ ATOM 666 N LEU A 82 9.831 13.457 10.611 1.00 93.34 N
667
+ ATOM 667 O LEU A 82 8.800 13.211 13.993 1.00 94.16 O
668
+ ATOM 668 C GLN A 83 7.397 10.575 13.541 1.00 94.83 C
669
+ ATOM 669 CA GLN A 83 6.691 11.739 12.853 1.00 94.86 C
670
+ ATOM 670 CB GLN A 83 5.628 11.213 11.888 1.00 94.01 C
671
+ ATOM 671 CD GLN A 83 5.133 12.847 10.019 1.00 86.59 C
672
+ ATOM 672 CG GLN A 83 4.690 12.289 11.358 1.00 89.97 C
673
+ ATOM 673 N GLN A 83 7.643 12.593 12.151 1.00 94.66 N
674
+ ATOM 674 NE2 GLN A 83 4.173 13.283 9.211 1.00 84.42 N
675
+ ATOM 675 O GLN A 83 7.115 10.269 14.701 1.00 94.41 O
676
+ ATOM 676 OE1 GLN A 83 6.330 12.889 9.714 1.00 85.50 O
677
+ ATOM 677 C GLN A 84 9.952 9.364 14.567 1.00 94.28 C
678
+ ATOM 678 CA GLN A 84 9.079 8.883 13.411 1.00 94.18 C
679
+ ATOM 679 CB GLN A 84 9.941 8.190 12.355 1.00 93.07 C
680
+ ATOM 680 CD GLN A 84 10.025 6.670 10.332 1.00 81.25 C
681
+ ATOM 681 CG GLN A 84 9.144 7.364 11.355 1.00 86.18 C
682
+ ATOM 682 N GLN A 84 8.332 9.988 12.820 1.00 94.12 N
683
+ ATOM 683 NE2 GLN A 84 9.400 6.006 9.366 1.00 74.92 N
684
+ ATOM 684 O GLN A 84 10.095 8.668 15.574 1.00 93.73 O
685
+ ATOM 685 OE1 GLN A 84 11.256 6.733 10.410 1.00 79.16 O
686
+ ATOM 686 C LEU A 85 10.530 11.363 16.669 1.00 94.55 C
687
+ ATOM 687 CA LEU A 85 11.350 11.120 15.407 1.00 94.28 C
688
+ ATOM 688 CB LEU A 85 11.972 12.435 14.927 1.00 93.35 C
689
+ ATOM 689 CD1 LEU A 85 14.015 13.868 15.171 1.00 79.37 C
690
+ ATOM 690 CD2 LEU A 85 12.106 14.124 16.780 1.00 79.59 C
691
+ ATOM 691 CG LEU A 85 12.897 13.147 15.917 1.00 87.88 C
692
+ ATOM 692 N LEU A 85 10.525 10.534 14.356 1.00 93.94 N
693
+ ATOM 693 O LEU A 85 10.920 10.936 17.759 1.00 94.22 O
694
+ ATOM 694 C VAL A 86 8.018 10.990 18.336 1.00 94.91 C
695
+ ATOM 695 CA VAL A 86 8.515 12.285 17.698 1.00 95.17 C
696
+ ATOM 696 CB VAL A 86 7.318 13.171 17.287 1.00 94.73 C
697
+ ATOM 697 CG1 VAL A 86 6.300 13.262 18.421 1.00 93.27 C
698
+ ATOM 698 CG2 VAL A 86 7.799 14.563 16.884 1.00 92.85 C
699
+ ATOM 699 N VAL A 86 9.370 11.976 16.556 1.00 94.99 N
700
+ ATOM 700 O VAL A 86 7.991 10.865 19.563 1.00 94.31 O
701
+ ATOM 701 C ALA A 87 8.253 8.026 18.868 1.00 94.82 C
702
+ ATOM 702 CA ALA A 87 7.170 8.711 18.038 1.00 94.99 C
703
+ ATOM 703 CB ALA A 87 6.725 7.802 16.896 1.00 94.17 C
704
+ ATOM 704 N ALA A 87 7.639 9.992 17.516 1.00 95.10 N
705
+ ATOM 705 O ALA A 87 7.974 7.486 19.940 1.00 94.16 O
706
+ ATOM 706 C TYR A 88 10.765 8.167 20.429 1.00 94.38 C
707
+ ATOM 707 CA TYR A 88 10.553 7.498 19.076 1.00 94.54 C
708
+ ATOM 708 CB TYR A 88 11.837 7.582 18.245 1.00 94.04 C
709
+ ATOM 709 CD1 TYR A 88 13.325 5.650 18.904 1.00 89.17 C
710
+ ATOM 710 CD2 TYR A 88 13.920 7.843 19.644 1.00 88.90 C
711
+ ATOM 711 CE1 TYR A 88 14.440 5.123 19.548 1.00 88.48 C
712
+ ATOM 712 CE2 TYR A 88 15.038 7.326 20.292 1.00 88.78 C
713
+ ATOM 713 CG TYR A 88 13.049 7.015 18.943 1.00 92.35 C
714
+ ATOM 714 CZ TYR A 88 15.290 5.967 20.238 1.00 87.10 C
715
+ ATOM 715 N TYR A 88 9.439 8.111 18.360 1.00 94.48 N
716
+ ATOM 716 O TYR A 88 10.867 7.489 21.454 1.00 93.73 O
717
+ ATOM 717 OH TYR A 88 16.394 5.451 20.876 1.00 81.06 O
718
+ ATOM 718 C TYR A 89 9.916 10.194 22.658 1.00 94.14 C
719
+ ATOM 719 CA TYR A 89 11.127 10.171 21.731 1.00 94.46 C
720
+ ATOM 720 CB TYR A 89 11.584 11.603 21.435 1.00 94.01 C
721
+ ATOM 721 CD1 TYR A 89 14.059 11.356 21.877 1.00 91.17 C
722
+ ATOM 722 CD2 TYR A 89 13.364 12.143 19.732 1.00 90.93 C
723
+ ATOM 723 CE1 TYR A 89 15.390 11.449 21.487 1.00 90.58 C
724
+ ATOM 724 CE2 TYR A 89 14.692 12.239 19.331 1.00 90.67 C
725
+ ATOM 725 CG TYR A 89 13.028 11.703 21.007 1.00 93.29 C
726
+ ATOM 726 CZ TYR A 89 15.697 11.890 20.214 1.00 89.79 C
727
+ ATOM 727 N TYR A 89 10.821 9.465 20.491 1.00 94.16 N
728
+ ATOM 728 O TYR A 89 10.020 10.615 23.812 1.00 93.32 O
729
+ ATOM 729 OH TYR A 89 17.014 11.983 19.822 1.00 86.39 O
730
+ ATOM 730 C SER A 90 7.763 8.303 23.825 1.00 94.24 C
731
+ ATOM 731 CA SER A 90 7.609 9.579 23.003 1.00 94.98 C
732
+ ATOM 732 CB SER A 90 6.329 9.505 22.169 1.00 94.17 C
733
+ ATOM 733 N SER A 90 8.767 9.798 22.144 1.00 95.08 N
734
+ ATOM 734 O SER A 90 7.130 8.154 24.872 1.00 92.78 O
735
+ ATOM 735 OG SER A 90 6.047 10.759 21.569 1.00 84.11 O
736
+ ATOM 736 C LYS A 91 10.268 6.172 24.814 1.00 92.96 C
737
+ ATOM 737 CA LYS A 91 8.927 6.177 24.085 1.00 93.74 C
738
+ ATOM 738 CB LYS A 91 8.866 5.014 23.093 1.00 92.40 C
739
+ ATOM 739 CD LYS A 91 7.500 3.641 21.485 1.00 80.36 C
740
+ ATOM 740 CE LYS A 91 6.158 3.496 20.781 1.00 73.15 C
741
+ ATOM 741 CG LYS A 91 7.499 4.816 22.454 1.00 84.92 C
742
+ ATOM 742 N LYS A 91 8.704 7.447 23.401 1.00 94.19 N
743
+ ATOM 743 NZ LYS A 91 6.167 2.368 19.800 1.00 66.85 N
744
+ ATOM 744 O LYS A 91 10.446 5.445 25.793 1.00 91.25 O
745
+ ATOM 745 C HIS A 92 13.019 8.502 25.029 1.00 89.67 C
746
+ ATOM 746 CA HIS A 92 12.557 7.065 24.806 1.00 90.85 C
747
+ ATOM 747 CB HIS A 92 13.514 6.348 23.853 1.00 88.68 C
748
+ ATOM 748 CD2 HIS A 92 13.233 3.773 23.997 1.00 72.88 C
749
+ ATOM 749 CE1 HIS A 92 12.011 3.491 22.198 1.00 73.60 C
750
+ ATOM 750 CG HIS A 92 13.042 4.991 23.437 1.00 80.52 C
751
+ ATOM 751 N HIS A 92 11.193 7.024 24.289 1.00 90.96 N
752
+ ATOM 752 ND1 HIS A 92 12.273 4.783 22.313 1.00 70.63 N
753
+ ATOM 753 NE2 HIS A 92 12.583 2.857 23.208 1.00 73.23 N
754
+ ATOM 754 O HIS A 92 12.840 9.357 24.160 1.00 87.26 O
755
+ ATOM 755 C ALA A 93 15.462 10.313 25.612 1.00 85.57 C
756
+ ATOM 756 CA ALA A 93 14.137 10.136 26.351 1.00 86.58 C
757
+ ATOM 757 CB ALA A 93 14.317 10.432 27.838 1.00 84.50 C
758
+ ATOM 758 N ALA A 93 13.606 8.789 26.161 1.00 86.92 N
759
+ ATOM 759 O ALA A 93 15.675 11.326 24.940 1.00 82.67 O
760
+ ATOM 760 C ASP A 94 18.301 10.545 24.598 1.00 86.54 C
761
+ ATOM 761 CA ASP A 94 17.565 9.218 24.772 1.00 87.07 C
762
+ ATOM 762 CB ASP A 94 17.299 8.581 23.407 1.00 83.81 C
763
+ ATOM 763 CG ASP A 94 17.131 7.074 23.478 1.00 74.44 C
764
+ ATOM 764 N ASP A 94 16.315 9.404 25.502 1.00 87.76 N
765
+ ATOM 765 O ASP A 94 18.640 10.931 23.477 1.00 81.60 O
766
+ ATOM 766 OD1 ASP A 94 17.277 6.495 24.577 1.00 64.47 O
767
+ ATOM 767 OD2 ASP A 94 16.853 6.458 22.426 1.00 70.02 O
768
+ ATOM 768 C GLY A 95 18.538 13.733 25.775 1.00 85.87 C
769
+ ATOM 769 CA GLY A 95 19.408 12.508 25.558 1.00 85.18 C
770
+ ATOM 770 N GLY A 95 18.663 11.261 25.602 1.00 85.26 N
771
+ ATOM 771 O GLY A 95 19.050 14.843 25.940 1.00 84.65 O
772
+ ATOM 772 C LEU A 96 16.153 14.799 27.520 1.00 90.30 C
773
+ ATOM 773 CA LEU A 96 16.337 14.669 26.012 1.00 90.88 C
774
+ ATOM 774 CB LEU A 96 14.981 14.435 25.339 1.00 90.24 C
775
+ ATOM 775 CD1 LEU A 96 13.573 14.356 23.266 1.00 86.40 C
776
+ ATOM 776 CD2 LEU A 96 15.860 15.386 23.188 1.00 86.74 C
777
+ ATOM 777 CG LEU A 96 14.994 14.299 23.815 1.00 89.11 C
778
+ ATOM 778 N LEU A 96 17.259 13.586 25.690 1.00 90.27 N
779
+ ATOM 779 O LEU A 96 16.457 13.867 28.268 1.00 89.03 O
780
+ ATOM 780 C CYS A 97 14.309 15.225 29.861 1.00 90.23 C
781
+ ATOM 781 CA CYS A 97 15.400 16.153 29.337 1.00 90.71 C
782
+ ATOM 782 CB CYS A 97 14.990 17.610 29.553 1.00 89.78 C
783
+ ATOM 783 N CYS A 97 15.666 15.900 27.925 1.00 90.39 N
784
+ ATOM 784 O CYS A 97 14.270 14.918 31.053 1.00 88.68 O
785
+ ATOM 785 SG CYS A 97 13.503 18.089 28.648 1.00 91.27 S
786
+ ATOM 786 C HIS A 98 11.745 13.370 28.031 1.00 91.57 C
787
+ ATOM 787 CA HIS A 98 12.321 13.969 29.308 1.00 91.38 C
788
+ ATOM 788 CB HIS A 98 11.229 14.715 30.078 1.00 90.28 C
789
+ ATOM 789 CD2 HIS A 98 10.163 13.515 32.114 1.00 79.99 C
790
+ ATOM 790 CE1 HIS A 98 8.624 12.383 31.040 1.00 81.69 C
791
+ ATOM 791 CG HIS A 98 10.281 13.812 30.799 1.00 85.55 C
792
+ ATOM 792 N HIS A 98 13.439 14.860 29.015 1.00 90.60 N
793
+ ATOM 793 ND1 HIS A 98 9.304 13.088 30.151 1.00 79.69 N
794
+ ATOM 794 NE2 HIS A 98 9.126 12.624 32.239 1.00 81.98 N
795
+ ATOM 795 O HIS A 98 11.895 13.942 26.948 1.00 90.91 O
796
+ ATOM 796 C ARG A 99 9.239 12.692 26.708 1.00 93.17 C
797
+ ATOM 797 CA ARG A 99 10.397 11.763 27.056 1.00 92.86 C
798
+ ATOM 798 CB ARG A 99 9.873 10.355 27.340 1.00 90.76 C
799
+ ATOM 799 CD ARG A 99 8.443 8.856 28.775 1.00 76.43 C
800
+ ATOM 800 CG ARG A 99 8.901 10.283 28.508 1.00 80.12 C
801
+ ATOM 801 CZ ARG A 99 6.306 8.754 30.013 1.00 67.96 C
802
+ ATOM 802 N ARG A 99 11.150 12.271 28.198 1.00 92.47 N
803
+ ATOM 803 NE ARG A 99 7.636 8.766 29.987 1.00 72.66 N
804
+ ATOM 804 NH1 ARG A 99 5.605 8.824 28.887 1.00 57.50 N
805
+ ATOM 805 NH2 ARG A 99 5.672 8.668 31.174 1.00 52.50 N
806
+ ATOM 806 O ARG A 99 8.730 13.410 27.571 1.00 92.63 O
807
+ ATOM 807 C LEU A 100 6.335 12.858 25.410 1.00 93.21 C
808
+ ATOM 808 CA LEU A 100 7.652 13.472 24.947 1.00 94.47 C
809
+ ATOM 809 CB LEU A 100 7.660 13.604 23.422 1.00 93.62 C
810
+ ATOM 810 CD1 LEU A 100 8.862 14.029 21.263 1.00 86.23 C
811
+ ATOM 811 CD2 LEU A 100 9.454 15.357 23.309 1.00 86.65 C
812
+ ATOM 812 CG LEU A 100 8.991 14.003 22.782 1.00 91.22 C
813
+ ATOM 813 N LEU A 100 8.786 12.671 25.396 1.00 93.89 N
814
+ ATOM 814 O LEU A 100 5.963 11.770 24.963 1.00 91.23 O
815
+ ATOM 815 C THR A 101 3.081 13.504 26.394 1.00 92.45 C
816
+ ATOM 816 CA THR A 101 4.389 12.895 26.893 1.00 93.36 C
817
+ ATOM 817 CB THR A 101 4.465 13.025 28.426 1.00 91.67 C
818
+ ATOM 818 CG2 THR A 101 5.658 12.254 28.983 1.00 74.49 C
819
+ ATOM 819 N THR A 101 5.533 13.529 26.249 1.00 93.82 N
820
+ ATOM 820 O THR A 101 2.085 12.798 26.225 1.00 90.15 O
821
+ ATOM 821 OG1 THR A 101 4.600 14.408 28.776 1.00 75.70 O
822
+ ATOM 822 C THR A 102 2.145 16.588 24.814 1.00 93.99 C
823
+ ATOM 823 CA THR A 102 1.860 15.522 25.868 1.00 93.64 C
824
+ ATOM 824 CB THR A 102 1.220 16.177 27.106 1.00 91.93 C
825
+ ATOM 825 CG2 THR A 102 -0.131 16.797 26.764 1.00 71.45 C
826
+ ATOM 826 N THR A 102 3.080 14.803 26.220 1.00 93.54 N
827
+ ATOM 827 O THR A 102 3.114 17.341 24.932 1.00 93.45 O
828
+ ATOM 828 OG1 THR A 102 1.036 15.185 28.123 1.00 73.10 O
829
+ ATOM 829 C VAL A 103 0.947 19.054 23.492 1.00 94.65 C
830
+ ATOM 830 CA VAL A 103 1.382 17.734 22.860 1.00 94.92 C
831
+ ATOM 831 CB VAL A 103 0.524 17.433 21.610 1.00 94.21 C
832
+ ATOM 832 CG1 VAL A 103 0.538 18.620 20.648 1.00 90.95 C
833
+ ATOM 833 CG2 VAL A 103 1.023 16.169 20.912 1.00 90.35 C
834
+ ATOM 834 N VAL A 103 1.288 16.661 23.845 1.00 94.74 N
835
+ ATOM 835 O VAL A 103 -0.048 19.105 24.219 1.00 93.94 O
836
+ ATOM 836 C CYS A 104 0.050 21.861 23.356 1.00 93.08 C
837
+ ATOM 837 CA CYS A 104 1.412 21.387 23.849 1.00 94.39 C
838
+ ATOM 838 CB CYS A 104 2.490 22.391 23.441 1.00 93.33 C
839
+ ATOM 839 N CYS A 104 1.724 20.061 23.326 1.00 94.31 N
840
+ ATOM 840 O CYS A 104 -0.218 21.852 22.153 1.00 90.57 O
841
+ ATOM 841 SG CYS A 104 2.309 24.010 24.223 1.00 87.52 S
842
+ ATOM 842 C PRO A 105 -1.989 24.163 23.114 1.00 88.25 C
843
+ ATOM 843 CA PRO A 105 -2.128 22.822 23.831 1.00 89.87 C
844
+ ATOM 844 CB PRO A 105 -2.916 22.977 25.133 1.00 88.25 C
845
+ ATOM 845 CD PRO A 105 -0.725 22.071 25.672 1.00 84.39 C
846
+ ATOM 846 CG PRO A 105 -2.146 22.188 26.142 1.00 84.64 C
847
+ ATOM 847 N PRO A 105 -0.841 22.283 24.277 1.00 90.82 N
848
+ ATOM 848 O PRO A 105 -1.074 24.935 23.414 1.00 85.23 O
849
+ ATOM 849 C THR A 106 -3.372 26.771 22.134 1.00 76.11 C
850
+ ATOM 850 CA THR A 106 -2.710 25.684 21.291 1.00 78.03 C
851
+ ATOM 851 CB THR A 106 -3.421 25.581 19.930 1.00 73.28 C
852
+ ATOM 852 CG2 THR A 106 -2.591 24.780 18.934 1.00 65.01 C
853
+ ATOM 853 N THR A 106 -2.724 24.406 21.993 1.00 79.41 N
854
+ ATOM 854 O THR A 106 -4.296 26.492 22.900 1.00 70.71 O
855
+ ATOM 855 OG1 THR A 106 -4.689 24.936 20.106 1.00 65.98 O
856
+ TER 856 THR A 106
857
+ END
1o42/1o42_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ogx/1ogx_ligand.mol2 ADDED
@@ -0,0 +1,95 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Sun Sep 9 21:50:04 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1ogx_ligand
7
+ 38 41 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 13.0500 -41.7260 -15.9310 C.ar 1 NON 0.0847
14
+ 2 C2 13.1500 -42.7880 -16.7980 C.ar 1 NON -0.0349
15
+ 3 C3 13.2880 -44.0860 -16.2630 C.ar 1 NON -0.0392
16
+ 4 C4 13.3290 -44.3010 -14.8030 C.ar 1 NON -0.0264
17
+ 5 C5 13.2330 -43.1840 -13.9590 C.ar 1 NON -0.0607
18
+ 6 C6 13.0960 -41.9190 -14.5060 C.ar 1 NON -0.0316
19
+ 7 C10 13.3780 -45.1850 -17.1970 C.ar 1 NON -0.0716
20
+ 8 C11 13.5000 -46.5080 -16.6790 C.ar 1 NON -0.0697
21
+ 9 C12 13.5350 -46.7280 -15.2560 C.ar 1 NON -0.0421
22
+ 10 C13 13.4560 -45.6370 -14.3100 C.ar 1 NON -0.0366
23
+ 11 C16 13.6440 -48.1280 -14.7670 C.3 1 NON -0.0001
24
+ 12 C17 13.0080 -48.3130 -13.3610 C.3 1 NON 0.0440
25
+ 13 C18 13.6260 -47.3300 -12.3510 C.3 1 NON -0.0320
26
+ 14 C19 13.4910 -45.8560 -12.8140 C.3 1 NON -0.0221
27
+ 15 C24 12.9060 -49.2430 -15.5570 C.3 1 NON -0.0275
28
+ 16 C25 13.2730 -50.4740 -14.6690 C.3 1 NON 0.0246
29
+ 17 C26 13.3170 -49.7990 -13.2450 C.2 1 NON 0.1347
30
+ 18 C27 11.4770 -48.1500 -13.3650 C.3 1 NON -0.0528
31
+ 19 O1 12.9080 -40.5500 -16.4790 O.3 1 NON -0.3342
32
+ 20 O26 13.5680 -50.3610 -12.2070 O.2 1 NON -0.3320
33
+ 21 H1 13.1234 -42.6314 -17.8703 H 1 NON 0.0478
34
+ 22 H2 13.2659 -43.3108 -12.8829 H 1 NON 0.0603
35
+ 23 H3 13.0222 -41.0597 -13.8493 H 1 NON 0.0566
36
+ 24 H4 13.3534 -45.0079 -18.2662 H 1 NON 0.0507
37
+ 25 H5 13.5666 -47.3504 -17.3580 H 1 NON 0.0551
38
+ 26 H6 14.7171 -48.3671 -14.7321 H 1 NON 0.0425
39
+ 27 H7 14.6933 -47.5680 -12.2320 H 1 NON 0.0278
40
+ 28 H8 13.1143 -47.4463 -11.3842 H 1 NON 0.0278
41
+ 29 H9 12.5582 -45.4538 -12.3920 H 1 NON 0.0415
42
+ 30 H10 14.3474 -45.2958 -12.4107 H 1 NON 0.0415
43
+ 31 H11 13.2939 -49.3457 -16.5812 H 1 NON 0.0309
44
+ 32 H12 11.8201 -49.0713 -15.5917 H 1 NON 0.0309
45
+ 33 H13 14.2488 -50.8988 -14.9472 H 1 NON 0.0488
46
+ 34 H14 12.5030 -51.2577 -14.7231 H 1 NON 0.0488
47
+ 35 H15 11.0354 -48.8527 -14.0870 H 1 NON 0.0221
48
+ 36 H16 11.2187 -47.1198 -13.6511 H 1 NON 0.0221
49
+ 37 H17 11.0831 -48.3612 -12.3599 H 1 NON 0.0221
50
+ 38 H18 12.0884 -40.1649 -16.1918 H 1 NON 0.2479
51
+ @<TRIPOS>BOND
52
+ 1 1 2 ar
53
+ 2 1 6 ar
54
+ 3 1 19 1
55
+ 4 2 3 ar
56
+ 5 3 4 ar
57
+ 6 3 7 ar
58
+ 7 4 5 ar
59
+ 8 4 10 ar
60
+ 9 5 6 ar
61
+ 10 7 8 ar
62
+ 11 8 9 ar
63
+ 12 9 10 ar
64
+ 13 9 11 1
65
+ 14 10 14 1
66
+ 15 11 12 1
67
+ 16 11 15 1
68
+ 17 12 13 1
69
+ 18 12 17 1
70
+ 19 12 18 1
71
+ 20 13 14 1
72
+ 21 15 16 1
73
+ 22 16 17 1
74
+ 23 17 20 2
75
+ 24 2 21 1
76
+ 25 5 22 1
77
+ 26 6 23 1
78
+ 27 7 24 1
79
+ 28 8 25 1
80
+ 29 11 26 1
81
+ 30 13 27 1
82
+ 31 13 28 1
83
+ 32 14 29 1
84
+ 33 14 30 1
85
+ 34 15 31 1
86
+ 35 15 32 1
87
+ 36 16 33 1
88
+ 37 16 34 1
89
+ 38 18 35 1
90
+ 39 18 36 1
91
+ 40 18 37 1
92
+ 41 19 38 1
93
+ @<TRIPOS>SUBSTRUCTURE
94
+ 1 NON 1
95
+
1ogx/1ogx_ligand.sdf ADDED
@@ -0,0 +1,85 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1ogx_ligand
2
+ -I-interpret-
3
+
4
+ 38 41 0 0 0 0 0 0 0 0999 V2000
5
+ 13.0500 -41.7260 -15.9310 C 0 0 0 0 0
6
+ 13.1500 -42.7880 -16.7980 C 0 0 0 0 0
7
+ 13.2880 -44.0860 -16.2630 C 0 0 0 0 0
8
+ 13.3290 -44.3010 -14.8030 C 0 0 0 0 0
9
+ 13.2330 -43.1840 -13.9590 C 0 0 0 0 0
10
+ 13.0960 -41.9190 -14.5060 C 0 0 0 0 0
11
+ 13.3780 -45.1850 -17.1970 C 0 0 0 0 0
12
+ 13.5000 -46.5080 -16.6790 C 0 0 0 0 0
13
+ 13.5350 -46.7280 -15.2560 C 0 0 0 0 0
14
+ 13.4560 -45.6370 -14.3100 C 0 0 0 0 0
15
+ 13.6440 -48.1280 -14.7670 C 0 0 0 0 0
16
+ 13.0080 -48.3130 -13.3610 C 0 0 0 0 0
17
+ 13.6260 -47.3300 -12.3510 C 0 0 0 0 0
18
+ 13.4910 -45.8560 -12.8140 C 0 0 0 0 0
19
+ 12.9060 -49.2430 -15.5570 C 0 0 0 0 0
20
+ 13.2730 -50.4740 -14.6690 C 0 0 0 0 0
21
+ 13.3170 -49.7990 -13.2450 C 0 0 0 0 0
22
+ 11.4770 -48.1500 -13.3650 C 0 0 0 0 0
23
+ 12.9080 -40.5500 -16.4790 O 0 0 0 0 0
24
+ 13.5680 -50.3610 -12.2070 O 0 0 0 0 0
25
+ 13.1232 -42.6305 -17.8762 H 0 0 0 0 0
26
+ 13.2661 -43.3115 -12.8770 H 0 0 0 0 0
27
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1ogx/1ogx_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ogx/1ogx_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1q8u/1q8u_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1q8u/1q8u_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-21
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+ ATOM 1 N LYS A 1 25.084 -1.412 20.426 1.00 0.00 N
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+ ATOM 2 CA LYS A 1 24.127 -0.641 21.215 1.00 0.00 C
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+ ATOM 15 CG GLU A 2 25.133 5.523 22.222 1.00 0.00 C
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+ ATOM 16 CD GLU A 2 24.534 6.784 21.620 1.00 0.00 C
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+ ATOM 17 OE1 GLU A 2 23.301 6.827 21.405 1.00 0.00 O
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+ ATOM 18 OE2 GLU A 2 25.303 7.735 21.359 1.00 0.00 O
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+ ATOM 24 CG2 THR A 3 28.040 2.226 26.335 1.00 0.00 C
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+ ATOM 27 CA ALA A 4 23.713 5.727 28.251 1.00 0.00 C
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+ ATOM 46 CG LYS A 7 21.155 8.297 24.273 1.00 0.00 C
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+ ATOM 88 NE2 GLN A 11 18.941 10.359 23.031 1.00 0.00 N
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+ ATOM 91 CA HIS A 12 23.450 17.066 24.417 1.00 0.00 C
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+ ATOM 95 CG HIS A 12 21.856 16.220 26.194 1.00 0.00 C
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+ ATOM 96 CD2 HIS A 12 21.496 14.960 26.535 1.00 0.00 C
98
+ ATOM 97 ND1 HIS A 12 20.692 16.955 26.143 1.00 0.00 N
99
+ ATOM 98 CE1 HIS A 12 19.669 16.170 26.441 1.00 0.00 C
100
+ ATOM 99 NE2 HIS A 12 20.130 14.954 26.683 1.00 0.00 N
101
+ ATOM 100 N MET A 13 25.804 17.227 23.804 1.00 0.00 N
102
+ ATOM 101 CA MET A 13 27.103 17.893 23.751 1.00 0.00 C
103
+ ATOM 102 C MET A 13 27.346 18.504 22.375 1.00 0.00 C
104
+ ATOM 103 CB MET A 13 28.225 16.910 24.093 1.00 0.00 C
105
+ ATOM 104 O MET A 13 27.171 17.835 21.355 1.00 0.00 O
106
+ ATOM 105 CG MET A 13 28.100 16.295 25.478 1.00 0.00 C
107
+ ATOM 106 SD MET A 13 28.086 17.558 26.809 1.00 0.00 S
108
+ ATOM 107 CE MET A 13 29.730 18.288 26.575 1.00 0.00 C
109
+ ATOM 108 N ASP A 14 27.687 19.721 22.340 1.00 0.00 N
110
+ ATOM 109 CA ASP A 14 28.187 20.417 21.159 1.00 0.00 C
111
+ ATOM 110 C ASP A 14 29.235 21.461 21.538 1.00 0.00 C
112
+ ATOM 111 CB ASP A 14 27.036 21.080 20.400 1.00 0.00 C
113
+ ATOM 112 O ASP A 14 28.913 22.639 21.708 1.00 0.00 O
114
+ ATOM 113 CG ASP A 14 27.482 21.749 19.111 1.00 0.00 C
115
+ ATOM 114 OD1 ASP A 14 28.540 21.371 18.563 1.00 0.00 O
116
+ ATOM 115 OD2 ASP A 14 26.771 22.665 18.642 1.00 0.00 O
117
+ ATOM 116 N SER A 15 30.511 21.020 21.668 1.00 0.00 N
118
+ ATOM 117 CA SER A 15 31.574 21.911 22.121 1.00 0.00 C
119
+ ATOM 118 C SER A 15 32.051 22.821 20.995 1.00 0.00 C
120
+ ATOM 119 CB SER A 15 32.752 21.104 22.669 1.00 0.00 C
121
+ ATOM 120 O SER A 15 32.846 23.736 21.223 1.00 0.00 O
122
+ ATOM 121 OG SER A 15 33.133 20.089 21.757 1.00 0.00 O
123
+ ATOM 122 N SER A 16 31.548 22.700 19.874 1.00 0.00 N
124
+ ATOM 123 CA SER A 16 31.886 23.553 18.739 1.00 0.00 C
125
+ ATOM 124 C SER A 16 30.958 24.760 18.659 1.00 0.00 C
126
+ ATOM 125 CB SER A 16 31.818 22.760 17.434 1.00 0.00 C
127
+ ATOM 126 O SER A 16 29.739 24.608 18.556 1.00 0.00 O
128
+ ATOM 127 OG SER A 16 32.042 23.607 16.319 1.00 0.00 O
129
+ ATOM 128 N THR A 17 31.268 25.917 19.391 1.00 0.00 N
130
+ ATOM 129 CA THR A 17 30.521 27.127 19.716 1.00 0.00 C
131
+ ATOM 130 C THR A 17 30.114 27.869 18.446 1.00 0.00 C
132
+ ATOM 131 CB THR A 17 31.341 28.064 20.621 1.00 0.00 C
133
+ ATOM 132 O THR A 17 29.254 28.751 18.484 1.00 0.00 O
134
+ ATOM 133 CG2 THR A 17 31.640 27.410 21.965 1.00 0.00 C
135
+ ATOM 134 OG1 THR A 17 32.579 28.383 19.971 1.00 0.00 O
136
+ ATOM 135 N SER A 18 30.806 27.804 17.384 1.00 0.00 N
137
+ ATOM 136 CA SER A 18 30.744 28.837 16.355 1.00 0.00 C
138
+ ATOM 137 C SER A 18 29.359 28.905 15.723 1.00 0.00 C
139
+ ATOM 138 CB SER A 18 31.794 28.580 15.273 1.00 0.00 C
140
+ ATOM 139 O SER A 18 28.897 29.982 15.338 1.00 0.00 O
141
+ ATOM 140 OG SER A 18 31.605 27.305 14.681 1.00 0.00 O
142
+ ATOM 141 N ALA A 19 28.564 27.904 15.841 1.00 0.00 N
143
+ ATOM 142 CA ALA A 19 27.296 27.915 15.115 1.00 0.00 C
144
+ ATOM 143 C ALA A 19 26.125 28.165 16.059 1.00 0.00 C
145
+ ATOM 144 CB ALA A 19 27.101 26.598 14.366 1.00 0.00 C
146
+ ATOM 145 O ALA A 19 24.989 28.351 15.615 1.00 0.00 O
147
+ ATOM 146 N ALA A 20 26.353 28.335 17.275 1.00 0.00 N
148
+ ATOM 147 CA ALA A 20 25.230 28.476 18.196 1.00 0.00 C
149
+ ATOM 148 C ALA A 20 24.505 29.802 17.979 1.00 0.00 C
150
+ ATOM 149 CB ALA A 20 25.709 28.366 19.642 1.00 0.00 C
151
+ ATOM 150 O ALA A 20 23.340 29.949 18.356 1.00 0.00 O
152
+ ATOM 151 N SER A 21 25.110 30.710 17.174 1.00 0.00 N
153
+ ATOM 152 CA SER A 21 24.477 32.013 17.005 1.00 0.00 C
154
+ ATOM 153 C SER A 21 23.493 32.003 15.839 1.00 0.00 C
155
+ ATOM 154 CB SER A 21 25.533 33.098 16.782 1.00 0.00 C
156
+ ATOM 155 O SER A 21 22.765 32.974 15.626 1.00 0.00 O
157
+ ATOM 156 OG SER A 21 26.384 32.756 15.701 1.00 0.00 O
158
+ ATOM 157 N SER A 22 23.487 30.893 15.224 1.00 0.00 N
159
+ ATOM 158 CA SER A 22 22.566 30.860 14.093 1.00 0.00 C
160
+ ATOM 159 C SER A 22 21.147 30.533 14.544 1.00 0.00 C
161
+ ATOM 160 CB SER A 22 23.029 29.835 13.055 1.00 0.00 C
162
+ ATOM 161 O SER A 22 20.945 29.666 15.397 1.00 0.00 O
163
+ ATOM 162 OG SER A 22 22.016 29.604 12.091 1.00 0.00 O
164
+ ATOM 163 N SER A 23 20.156 31.251 14.025 1.00 0.00 N
165
+ ATOM 164 CA SER A 23 18.746 31.002 14.304 1.00 0.00 C
166
+ ATOM 165 C SER A 23 18.327 29.612 13.836 1.00 0.00 C
167
+ ATOM 166 CB SER A 23 17.871 32.061 13.632 1.00 0.00 C
168
+ ATOM 167 O SER A 23 17.340 29.058 14.324 1.00 0.00 O
169
+ ATOM 168 OG SER A 23 18.086 32.077 12.231 1.00 0.00 O
170
+ ATOM 169 N ASN A 24 19.150 29.055 12.954 1.00 0.00 N
171
+ ATOM 170 CA ASN A 24 18.831 27.745 12.398 1.00 0.00 C
172
+ ATOM 171 C ASN A 24 19.556 26.627 13.143 1.00 0.00 C
173
+ ATOM 172 CB ASN A 24 19.171 27.697 10.907 1.00 0.00 C
174
+ ATOM 173 O ASN A 24 19.554 25.477 12.700 1.00 0.00 O
175
+ ATOM 174 CG ASN A 24 18.436 26.591 10.175 1.00 0.00 C
176
+ ATOM 175 ND2 ASN A 24 19.062 26.048 9.139 1.00 0.00 N
177
+ ATOM 176 OD1 ASN A 24 17.314 26.230 10.538 1.00 0.00 O
178
+ ATOM 177 N TYR A 25 20.327 26.947 14.148 1.00 0.00 N
179
+ ATOM 178 CA TYR A 25 21.155 26.002 14.889 1.00 0.00 C
180
+ ATOM 179 C TYR A 25 20.352 24.773 15.293 1.00 0.00 C
181
+ ATOM 180 CB TYR A 25 21.750 26.670 16.134 1.00 0.00 C
182
+ ATOM 181 O TYR A 25 20.753 23.641 15.012 1.00 0.00 O
183
+ ATOM 182 CG TYR A 25 22.429 25.705 17.074 1.00 0.00 C
184
+ ATOM 183 CD1 TYR A 25 21.741 25.152 18.153 1.00 0.00 C
185
+ ATOM 184 CD2 TYR A 25 23.758 25.341 16.886 1.00 0.00 C
186
+ ATOM 185 CE1 TYR A 25 22.364 24.263 19.023 1.00 0.00 C
187
+ ATOM 186 CE2 TYR A 25 24.391 24.454 17.750 1.00 0.00 C
188
+ ATOM 187 OH TYR A 25 24.307 23.041 19.673 1.00 0.00 O
189
+ ATOM 188 CZ TYR A 25 23.686 23.920 18.814 1.00 0.00 C
190
+ ATOM 189 N CYS A 26 19.241 25.043 15.949 1.00 0.00 N
191
+ ATOM 190 CA CYS A 26 18.461 23.932 16.483 1.00 0.00 C
192
+ ATOM 191 C CYS A 26 17.953 23.034 15.362 1.00 0.00 C
193
+ ATOM 192 CB CYS A 26 17.283 24.452 17.307 1.00 0.00 C
194
+ ATOM 193 O CYS A 26 18.028 21.808 15.461 1.00 0.00 O
195
+ ATOM 194 SG CYS A 26 17.743 25.022 18.958 1.00 0.00 S
196
+ ATOM 195 N ASN A 27 17.421 23.624 14.264 1.00 0.00 N
197
+ ATOM 196 CA ASN A 27 16.932 22.802 13.162 1.00 0.00 C
198
+ ATOM 197 C ASN A 27 18.033 21.913 12.594 1.00 0.00 C
199
+ ATOM 198 CB ASN A 27 16.337 23.681 12.059 1.00 0.00 C
200
+ ATOM 199 O ASN A 27 17.801 20.737 12.307 1.00 0.00 O
201
+ ATOM 200 CG ASN A 27 15.044 24.351 12.479 1.00 0.00 C
202
+ ATOM 201 ND2 ASN A 27 14.783 25.533 11.933 1.00 0.00 N
203
+ ATOM 202 OD1 ASN A 27 14.285 23.810 13.289 1.00 0.00 O
204
+ ATOM 203 N GLN A 28 19.208 22.433 12.477 1.00 0.00 N
205
+ ATOM 204 CA GLN A 28 20.340 21.696 11.923 1.00 0.00 C
206
+ ATOM 205 C GLN A 28 20.823 20.621 12.894 1.00 0.00 C
207
+ ATOM 206 CB GLN A 28 21.487 22.649 11.582 1.00 0.00 C
208
+ ATOM 207 O GLN A 28 21.019 19.468 12.504 1.00 0.00 O
209
+ ATOM 208 CG GLN A 28 21.191 23.571 10.407 1.00 0.00 C
210
+ ATOM 209 CD GLN A 28 22.336 24.519 10.102 1.00 0.00 C
211
+ ATOM 210 NE2 GLN A 28 22.112 25.438 9.169 1.00 0.00 N
212
+ ATOM 211 OE1 GLN A 28 23.411 24.427 10.701 1.00 0.00 O
213
+ ATOM 212 N MET A 29 20.937 21.005 14.138 1.00 0.00 N
214
+ ATOM 213 CA MET A 29 21.546 20.093 15.103 1.00 0.00 C
215
+ ATOM 214 C MET A 29 20.590 18.957 15.454 1.00 0.00 C
216
+ ATOM 215 CB MET A 29 21.953 20.844 16.372 1.00 0.00 C
217
+ ATOM 216 O MET A 29 21.009 17.806 15.591 1.00 0.00 O
218
+ ATOM 217 CG MET A 29 23.196 21.703 16.202 1.00 0.00 C
219
+ ATOM 218 SD MET A 29 24.690 20.709 15.822 1.00 0.00 S
220
+ ATOM 219 CE MET A 29 25.023 19.993 17.455 1.00 0.00 C
221
+ ATOM 220 N MET A 30 19.245 19.297 15.633 1.00 0.00 N
222
+ ATOM 221 CA MET A 30 18.276 18.246 15.930 1.00 0.00 C
223
+ ATOM 222 C MET A 30 18.278 17.180 14.840 1.00 0.00 C
224
+ ATOM 223 CB MET A 30 16.872 18.836 16.082 1.00 0.00 C
225
+ ATOM 224 O MET A 30 18.252 15.984 15.136 1.00 0.00 O
226
+ ATOM 225 CG MET A 30 16.752 19.851 17.207 1.00 0.00 C
227
+ ATOM 226 SD MET A 30 16.868 19.077 18.867 1.00 0.00 S
228
+ ATOM 227 CE MET A 30 15.202 18.370 19.008 1.00 0.00 C
229
+ ATOM 228 N LYS A 31 18.414 17.575 13.626 1.00 0.00 N
230
+ ATOM 229 CA LYS A 31 18.434 16.656 12.491 1.00 0.00 C
231
+ ATOM 230 C LYS A 31 19.762 15.909 12.411 1.00 0.00 C
232
+ ATOM 231 CB LYS A 31 18.177 17.410 11.186 1.00 0.00 C
233
+ ATOM 232 O LYS A 31 19.785 14.684 12.282 1.00 0.00 O
234
+ ATOM 233 CG LYS A 31 18.024 16.508 9.970 1.00 0.00 C
235
+ ATOM 234 CD LYS A 31 17.666 17.306 8.723 1.00 0.00 C
236
+ ATOM 235 CE LYS A 31 17.510 16.404 7.506 1.00 0.00 C
237
+ ATOM 236 NZ LYS A 31 17.130 17.179 6.287 1.00 0.00 N
238
+ ATOM 237 N SER A 32 20.907 16.582 12.515 1.00 0.00 N
239
+ ATOM 238 CA SER A 32 22.223 15.977 12.338 1.00 0.00 C
240
+ ATOM 239 C SER A 32 22.516 14.963 13.440 1.00 0.00 C
241
+ ATOM 240 CB SER A 32 23.310 17.051 12.321 1.00 0.00 C
242
+ ATOM 241 O SER A 32 23.258 14.002 13.224 1.00 0.00 O
243
+ ATOM 242 OG SER A 32 23.513 17.584 13.620 1.00 0.00 O
244
+ ATOM 243 N ARG A 33 21.869 15.166 14.604 1.00 0.00 N
245
+ ATOM 244 CA ARG A 33 22.100 14.251 15.718 1.00 0.00 C
246
+ ATOM 245 C ARG A 33 21.017 13.179 15.781 1.00 0.00 C
247
+ ATOM 246 CB ARG A 33 22.155 15.018 17.040 1.00 0.00 C
248
+ ATOM 247 O ARG A 33 20.916 12.448 16.767 1.00 0.00 O
249
+ ATOM 248 CG ARG A 33 23.275 16.045 17.112 1.00 0.00 C
250
+ ATOM 249 CD ARG A 33 24.646 15.383 17.128 1.00 0.00 C
251
+ ATOM 250 NE ARG A 33 25.716 16.364 17.275 1.00 0.00 N
252
+ ATOM 251 NH1 ARG A 33 26.478 15.538 19.294 1.00 0.00 N
253
+ ATOM 252 NH2 ARG A 33 27.500 17.351 18.333 1.00 0.00 N
254
+ ATOM 253 CZ ARG A 33 26.563 16.416 18.300 1.00 0.00 C
255
+ ATOM 254 N ASN A 34 20.230 13.103 14.725 1.00 0.00 N
256
+ ATOM 255 CA ASN A 34 19.198 12.082 14.572 1.00 0.00 C
257
+ ATOM 256 C ASN A 34 18.205 12.112 15.730 1.00 0.00 C
258
+ ATOM 257 CB ASN A 34 19.830 10.694 14.452 1.00 0.00 C
259
+ ATOM 258 O ASN A 34 17.751 11.064 16.192 1.00 0.00 O
260
+ ATOM 259 CG ASN A 34 20.514 10.479 13.115 1.00 0.00 C
261
+ ATOM 260 ND2 ASN A 34 21.687 9.858 13.143 1.00 0.00 N
262
+ ATOM 261 OD1 ASN A 34 19.993 10.868 12.067 1.00 0.00 O
263
+ ATOM 262 N LEU A 35 17.851 13.284 16.204 1.00 0.00 N
264
+ ATOM 263 CA LEU A 35 16.897 13.430 17.299 1.00 0.00 C
265
+ ATOM 264 C LEU A 35 15.476 13.581 16.765 1.00 0.00 C
266
+ ATOM 265 CB LEU A 35 17.259 14.637 18.168 1.00 0.00 C
267
+ ATOM 266 O LEU A 35 14.520 13.633 17.541 1.00 0.00 O
268
+ ATOM 267 CG LEU A 35 18.638 14.607 18.829 1.00 0.00 C
269
+ ATOM 268 CD1 LEU A 35 18.866 15.880 19.637 1.00 0.00 C
270
+ ATOM 269 CD2 LEU A 35 18.780 13.373 19.714 1.00 0.00 C
271
+ ATOM 270 N THR A 36 15.355 13.603 15.449 1.00 0.00 N
272
+ ATOM 271 CA THR A 36 14.057 13.755 14.800 1.00 0.00 C
273
+ ATOM 272 C THR A 36 13.795 12.599 13.838 1.00 0.00 C
274
+ ATOM 273 CB THR A 36 13.965 15.090 14.038 1.00 0.00 C
275
+ ATOM 274 O THR A 36 13.032 12.742 12.880 1.00 0.00 O
276
+ ATOM 275 CG2 THR A 36 14.125 16.275 14.985 1.00 0.00 C
277
+ ATOM 276 OG1 THR A 36 15.000 15.141 13.048 1.00 0.00 O
278
+ ATOM 277 N LYS A 37 14.527 11.487 13.968 1.00 0.00 N
279
+ ATOM 278 CA LYS A 37 14.433 10.354 13.050 1.00 0.00 C
280
+ ATOM 279 C LYS A 37 13.020 9.776 13.035 1.00 0.00 C
281
+ ATOM 280 CB LYS A 37 15.439 9.268 13.433 1.00 0.00 C
282
+ ATOM 281 O LYS A 37 12.482 9.468 11.969 1.00 0.00 O
283
+ ATOM 282 CG LYS A 37 15.486 8.097 12.461 1.00 0.00 C
284
+ ATOM 283 CD LYS A 37 16.517 7.059 12.886 1.00 0.00 C
285
+ ATOM 284 CE LYS A 37 16.483 5.835 11.982 1.00 0.00 C
286
+ ATOM 285 NZ LYS A 37 17.486 4.810 12.399 1.00 0.00 N
287
+ ATOM 286 N ASP A 38 12.282 9.653 14.087 1.00 0.00 N
288
+ ATOM 287 CA ASP A 38 10.982 8.993 14.165 1.00 0.00 C
289
+ ATOM 288 C ASP A 38 9.871 10.000 14.457 1.00 0.00 C
290
+ ATOM 289 CB ASP A 38 10.998 7.902 15.238 1.00 0.00 C
291
+ ATOM 290 O ASP A 38 8.737 9.829 14.006 1.00 0.00 O
292
+ ATOM 291 CG ASP A 38 11.927 6.750 14.898 1.00 0.00 C
293
+ ATOM 292 OD1 ASP A 38 11.922 6.284 13.738 1.00 0.00 O
294
+ ATOM 293 OD2 ASP A 38 12.669 6.302 15.799 1.00 0.00 O
295
+ ATOM 294 N ARG A 39 10.081 10.990 15.147 1.00 0.00 N
296
+ ATOM 295 CA ARG A 39 9.161 12.050 15.544 1.00 0.00 C
297
+ ATOM 296 C ARG A 39 9.915 13.338 15.857 1.00 0.00 C
298
+ ATOM 297 CB ARG A 39 8.334 11.619 16.757 1.00 0.00 C
299
+ ATOM 298 O ARG A 39 11.137 13.327 16.016 1.00 0.00 O
300
+ ATOM 299 CG ARG A 39 9.156 11.404 18.018 1.00 0.00 C
301
+ ATOM 300 CD ARG A 39 8.291 10.945 19.184 1.00 0.00 C
302
+ ATOM 301 NE ARG A 39 9.080 10.750 20.397 1.00 0.00 N
303
+ ATOM 302 NH1 ARG A 39 7.262 10.715 21.822 1.00 0.00 N
304
+ ATOM 303 NH2 ARG A 39 9.383 10.470 22.657 1.00 0.00 N
305
+ ATOM 304 CZ ARG A 39 8.573 10.646 21.623 1.00 0.00 C
306
+ ATOM 305 N CYS A 40 9.204 14.355 15.875 1.00 0.00 N
307
+ ATOM 306 CA CYS A 40 9.813 15.600 16.328 1.00 0.00 C
308
+ ATOM 307 C CYS A 40 10.004 15.596 17.840 1.00 0.00 C
309
+ ATOM 308 CB CYS A 40 8.955 16.796 15.917 1.00 0.00 C
310
+ ATOM 309 O CYS A 40 9.033 15.504 18.592 1.00 0.00 O
311
+ ATOM 310 SG CYS A 40 8.722 16.946 14.133 1.00 0.00 S
312
+ ATOM 311 N LYS A 41 11.269 15.581 18.310 1.00 0.00 N
313
+ ATOM 312 CA LYS A 41 11.540 15.694 19.740 1.00 0.00 C
314
+ ATOM 313 C LYS A 41 11.135 17.068 20.268 1.00 0.00 C
315
+ ATOM 314 CB LYS A 41 13.020 15.436 20.028 1.00 0.00 C
316
+ ATOM 315 O LYS A 41 11.627 18.092 19.789 1.00 0.00 O
317
+ ATOM 316 CG LYS A 41 13.363 15.393 21.509 1.00 0.00 C
318
+ ATOM 317 CD LYS A 41 14.801 14.943 21.737 1.00 0.00 C
319
+ ATOM 318 CE LYS A 41 15.156 14.928 23.218 1.00 0.00 C
320
+ ATOM 319 NZ LYS A 41 16.524 14.378 23.454 1.00 0.00 N
321
+ ATOM 320 N PRO A 42 10.286 17.134 21.236 1.00 0.00 N
322
+ ATOM 321 CA PRO A 42 9.715 18.423 21.632 1.00 0.00 C
323
+ ATOM 322 C PRO A 42 10.763 19.391 22.180 1.00 0.00 C
324
+ ATOM 323 CB PRO A 42 8.704 18.043 22.717 1.00 0.00 C
325
+ ATOM 324 O PRO A 42 10.678 20.598 21.941 1.00 0.00 O
326
+ ATOM 325 CG PRO A 42 8.297 16.644 22.386 1.00 0.00 C
327
+ ATOM 326 CD PRO A 42 9.468 15.942 21.760 1.00 0.00 C
328
+ ATOM 327 N VAL A 43 11.736 18.875 22.915 1.00 0.00 N
329
+ ATOM 328 CA VAL A 43 12.728 19.751 23.526 1.00 0.00 C
330
+ ATOM 329 C VAL A 43 14.066 19.024 23.632 1.00 0.00 C
331
+ ATOM 330 CB VAL A 43 12.274 20.237 24.921 1.00 0.00 C
332
+ ATOM 331 O VAL A 43 14.104 17.812 23.861 1.00 0.00 O
333
+ ATOM 332 CG1 VAL A 43 13.360 21.088 25.577 1.00 0.00 C
334
+ ATOM 333 CG2 VAL A 43 10.968 21.023 24.813 1.00 0.00 C
335
+ ATOM 334 N ASN A 44 15.126 19.766 23.461 1.00 0.00 N
336
+ ATOM 335 CA ASN A 44 16.489 19.312 23.718 1.00 0.00 C
337
+ ATOM 336 C ASN A 44 17.401 20.471 24.109 1.00 0.00 C
338
+ ATOM 337 CB ASN A 44 17.051 18.584 22.494 1.00 0.00 C
339
+ ATOM 338 O ASN A 44 17.133 21.623 23.760 1.00 0.00 O
340
+ ATOM 339 CG ASN A 44 18.285 17.766 22.819 1.00 0.00 C
341
+ ATOM 340 ND2 ASN A 44 19.456 18.306 22.497 1.00 0.00 N
342
+ ATOM 341 OD1 ASN A 44 18.188 16.657 23.352 1.00 0.00 O
343
+ ATOM 342 N THR A 45 18.403 20.174 24.862 1.00 0.00 N
344
+ ATOM 343 CA THR A 45 19.407 21.161 25.247 1.00 0.00 C
345
+ ATOM 344 C THR A 45 20.797 20.718 24.802 1.00 0.00 C
346
+ ATOM 345 CB THR A 45 19.403 21.396 26.769 1.00 0.00 C
347
+ ATOM 346 O THR A 45 21.203 19.581 25.053 1.00 0.00 O
348
+ ATOM 347 CG2 THR A 45 20.432 22.450 27.165 1.00 0.00 C
349
+ ATOM 348 OG1 THR A 45 18.102 21.840 27.174 1.00 0.00 O
350
+ ATOM 349 N PHE A 46 21.520 21.576 24.143 1.00 0.00 N
351
+ ATOM 350 CA PHE A 46 22.918 21.337 23.801 1.00 0.00 C
352
+ ATOM 351 C PHE A 46 23.841 22.156 24.695 1.00 0.00 C
353
+ ATOM 352 CB PHE A 46 23.178 21.673 22.329 1.00 0.00 C
354
+ ATOM 353 O PHE A 46 23.639 23.360 24.868 1.00 0.00 O
355
+ ATOM 354 CG PHE A 46 22.471 20.760 21.364 1.00 0.00 C
356
+ ATOM 355 CD1 PHE A 46 22.960 19.485 21.107 1.00 0.00 C
357
+ ATOM 356 CD2 PHE A 46 21.317 21.177 20.713 1.00 0.00 C
358
+ ATOM 357 CE1 PHE A 46 22.308 18.637 20.214 1.00 0.00 C
359
+ ATOM 358 CE2 PHE A 46 20.660 20.336 19.820 1.00 0.00 C
360
+ ATOM 359 CZ PHE A 46 21.158 19.067 19.571 1.00 0.00 C
361
+ ATOM 360 N VAL A 47 24.795 21.467 25.285 1.00 0.00 N
362
+ ATOM 361 CA VAL A 47 25.787 22.107 26.143 1.00 0.00 C
363
+ ATOM 362 C VAL A 47 27.058 22.385 25.343 1.00 0.00 C
364
+ ATOM 363 CB VAL A 47 26.115 21.239 27.378 1.00 0.00 C
365
+ ATOM 364 O VAL A 47 27.595 21.490 24.687 1.00 0.00 O
366
+ ATOM 365 CG1 VAL A 47 27.071 21.972 28.317 1.00 0.00 C
367
+ ATOM 366 CG2 VAL A 47 24.832 20.852 28.112 1.00 0.00 C
368
+ ATOM 367 N HIS A 48 27.583 23.581 25.412 1.00 0.00 N
369
+ ATOM 368 CA HIS A 48 28.665 24.007 24.533 1.00 0.00 C
370
+ ATOM 369 C HIS A 48 30.007 23.976 25.256 1.00 0.00 C
371
+ ATOM 370 CB HIS A 48 28.393 25.411 23.990 1.00 0.00 C
372
+ ATOM 371 O HIS A 48 31.031 24.367 24.689 1.00 0.00 O
373
+ ATOM 372 CG HIS A 48 27.146 25.506 23.170 1.00 0.00 C
374
+ ATOM 373 CD2 HIS A 48 26.032 26.259 23.330 1.00 0.00 C
375
+ ATOM 374 ND1 HIS A 48 26.947 24.760 22.028 1.00 0.00 N
376
+ ATOM 375 CE1 HIS A 48 25.762 25.051 21.519 1.00 0.00 C
377
+ ATOM 376 NE2 HIS A 48 25.186 25.958 22.290 1.00 0.00 N
378
+ ATOM 377 N GLU A 49 30.012 23.438 26.449 1.00 0.00 N
379
+ ATOM 378 CA GLU A 49 31.235 23.242 27.222 1.00 0.00 C
380
+ ATOM 379 C GLU A 49 31.941 21.950 26.820 1.00 0.00 C
381
+ ATOM 380 CB GLU A 49 30.926 23.227 28.721 1.00 0.00 C
382
+ ATOM 381 O GLU A 49 31.377 21.127 26.097 1.00 0.00 O
383
+ ATOM 382 CG GLU A 49 30.197 24.470 29.211 1.00 0.00 C
384
+ ATOM 383 CD GLU A 49 31.004 25.747 29.034 1.00 0.00 C
385
+ ATOM 384 OE1 GLU A 49 32.254 25.677 29.006 1.00 0.00 O
386
+ ATOM 385 OE2 GLU A 49 30.380 26.826 28.924 1.00 0.00 O
387
+ ATOM 386 N SER A 50 33.165 21.845 27.253 1.00 0.00 N
388
+ ATOM 387 CA SER A 50 33.881 20.601 26.991 1.00 0.00 C
389
+ ATOM 388 C SER A 50 33.236 19.428 27.722 1.00 0.00 C
390
+ ATOM 389 CB SER A 50 35.346 20.727 27.406 1.00 0.00 C
391
+ ATOM 390 O SER A 50 32.589 19.613 28.755 1.00 0.00 O
392
+ ATOM 391 OG SER A 50 35.470 20.752 28.818 1.00 0.00 O
393
+ ATOM 392 N LEU A 51 33.365 18.289 27.157 1.00 0.00 N
394
+ ATOM 393 CA LEU A 51 32.852 17.081 27.794 1.00 0.00 C
395
+ ATOM 394 C LEU A 51 33.437 16.914 29.192 1.00 0.00 C
396
+ ATOM 395 CB LEU A 51 33.170 15.850 26.943 1.00 0.00 C
397
+ ATOM 396 O LEU A 51 32.732 16.516 30.122 1.00 0.00 O
398
+ ATOM 397 CG LEU A 51 32.732 14.500 27.513 1.00 0.00 C
399
+ ATOM 398 CD1 LEU A 51 31.229 14.498 27.776 1.00 0.00 C
400
+ ATOM 399 CD2 LEU A 51 33.115 13.368 26.566 1.00 0.00 C
401
+ ATOM 400 N ALA A 52 34.722 17.213 29.344 1.00 0.00 N
402
+ ATOM 401 CA ALA A 52 35.377 17.107 30.645 1.00 0.00 C
403
+ ATOM 402 C ALA A 52 34.697 18.003 31.676 1.00 0.00 C
404
+ ATOM 403 CB ALA A 52 36.856 17.463 30.527 1.00 0.00 C
405
+ ATOM 404 O ALA A 52 34.494 17.599 32.823 1.00 0.00 O
406
+ ATOM 405 N ASP A 53 34.335 19.216 31.286 1.00 0.00 N
407
+ ATOM 406 CA ASP A 53 33.662 20.142 32.189 1.00 0.00 C
408
+ ATOM 407 C ASP A 53 32.281 19.622 32.581 1.00 0.00 C
409
+ ATOM 408 CB ASP A 53 33.540 21.525 31.547 1.00 0.00 C
410
+ ATOM 409 O ASP A 53 31.874 19.737 33.739 1.00 0.00 O
411
+ ATOM 410 CG ASP A 53 34.868 22.256 31.457 1.00 0.00 C
412
+ ATOM 411 OD1 ASP A 53 35.781 21.964 32.260 1.00 0.00 O
413
+ ATOM 412 OD2 ASP A 53 35.003 23.134 30.577 1.00 0.00 O
414
+ ATOM 413 N VAL A 54 31.581 19.028 31.636 1.00 0.00 N
415
+ ATOM 414 CA VAL A 54 30.242 18.520 31.919 1.00 0.00 C
416
+ ATOM 415 C VAL A 54 30.337 17.270 32.791 1.00 0.00 C
417
+ ATOM 416 CB VAL A 54 29.469 18.204 30.619 1.00 0.00 C
418
+ ATOM 417 O VAL A 54 29.538 17.085 33.712 1.00 0.00 O
419
+ ATOM 418 CG1 VAL A 54 28.134 17.532 30.934 1.00 0.00 C
420
+ ATOM 419 CG2 VAL A 54 29.249 19.479 29.806 1.00 0.00 C
421
+ ATOM 420 N GLN A 55 31.327 16.440 32.591 1.00 0.00 N
422
+ ATOM 421 CA GLN A 55 31.522 15.260 33.426 1.00 0.00 C
423
+ ATOM 422 C GLN A 55 31.874 15.651 34.859 1.00 0.00 C
424
+ ATOM 423 CB GLN A 55 32.618 14.364 32.843 1.00 0.00 C
425
+ ATOM 424 O GLN A 55 31.493 14.962 35.807 1.00 0.00 O
426
+ ATOM 425 CG GLN A 55 32.186 13.593 31.604 1.00 0.00 C
427
+ ATOM 426 CD GLN A 55 33.321 12.803 30.979 1.00 0.00 C
428
+ ATOM 427 NE2 GLN A 55 32.977 11.752 30.242 1.00 0.00 N
429
+ ATOM 428 OE1 GLN A 55 34.497 13.135 31.157 1.00 0.00 O
430
+ ATOM 429 N ALA A 56 32.578 16.750 34.965 1.00 0.00 N
431
+ ATOM 430 CA ALA A 56 32.986 17.218 36.286 1.00 0.00 C
432
+ ATOM 431 C ALA A 56 31.776 17.614 37.127 1.00 0.00 C
433
+ ATOM 432 CB ALA A 56 33.951 18.395 36.159 1.00 0.00 C
434
+ ATOM 433 O ALA A 56 31.869 17.713 38.352 1.00 0.00 O
435
+ ATOM 434 N VAL A 57 30.600 17.877 36.505 1.00 0.00 N
436
+ ATOM 435 CA VAL A 57 29.387 18.264 37.217 1.00 0.00 C
437
+ ATOM 436 C VAL A 57 28.963 17.143 38.164 1.00 0.00 C
438
+ ATOM 437 CB VAL A 57 28.238 18.600 36.240 1.00 0.00 C
439
+ ATOM 438 O VAL A 57 28.372 17.401 39.216 1.00 0.00 O
440
+ ATOM 439 CG1 VAL A 57 26.937 18.852 37.003 1.00 0.00 C
441
+ ATOM 440 CG2 VAL A 57 28.602 19.812 35.385 1.00 0.00 C
442
+ ATOM 441 N CYS A 58 29.305 15.899 37.860 1.00 0.00 N
443
+ ATOM 442 CA CYS A 58 28.890 14.723 38.617 1.00 0.00 C
444
+ ATOM 443 C CYS A 58 29.529 14.714 40.001 1.00 0.00 C
445
+ ATOM 444 CB CYS A 58 29.259 13.444 37.867 1.00 0.00 C
446
+ ATOM 445 O CYS A 58 29.151 13.912 40.858 1.00 0.00 O
447
+ ATOM 446 SG CYS A 58 28.213 13.114 36.432 1.00 0.00 S
448
+ ATOM 447 N SER A 59 30.435 15.552 40.302 1.00 0.00 N
449
+ ATOM 448 CA SER A 59 31.058 15.647 41.618 1.00 0.00 C
450
+ ATOM 449 C SER A 59 30.767 16.994 42.271 1.00 0.00 C
451
+ ATOM 450 CB SER A 59 32.569 15.438 41.513 1.00 0.00 C
452
+ ATOM 451 O SER A 59 31.483 17.416 43.182 1.00 0.00 O
453
+ ATOM 452 OG SER A 59 32.863 14.197 40.894 1.00 0.00 O
454
+ ATOM 453 N GLN A 60 29.768 17.683 41.782 1.00 0.00 N
455
+ ATOM 454 CA GLN A 60 29.469 19.006 42.317 1.00 0.00 C
456
+ ATOM 455 C GLN A 60 28.271 18.959 43.262 1.00 0.00 C
457
+ ATOM 456 CB GLN A 60 29.205 19.998 41.184 1.00 0.00 C
458
+ ATOM 457 O GLN A 60 28.234 18.144 44.186 1.00 0.00 O
459
+ ATOM 458 CG GLN A 60 30.413 20.246 40.291 1.00 0.00 C
460
+ ATOM 459 CD GLN A 60 30.156 21.307 39.236 1.00 0.00 C
461
+ ATOM 460 NE2 GLN A 60 31.002 21.343 38.213 1.00 0.00 N
462
+ ATOM 461 OE1 GLN A 60 29.203 22.087 39.340 1.00 0.00 O
463
+ ATOM 462 N LYS A 61 27.274 19.905 43.080 1.00 0.00 N
464
+ ATOM 463 CA LYS A 61 26.163 20.003 44.022 1.00 0.00 C
465
+ ATOM 464 C LYS A 61 25.118 18.923 43.755 1.00 0.00 C
466
+ ATOM 465 CB LYS A 61 25.516 21.388 43.947 1.00 0.00 C
467
+ ATOM 466 O LYS A 61 24.449 18.942 42.719 1.00 0.00 O
468
+ ATOM 467 CG LYS A 61 24.398 21.603 44.957 1.00 0.00 C
469
+ ATOM 468 CD LYS A 61 23.755 22.975 44.793 1.00 0.00 C
470
+ ATOM 469 CE LYS A 61 22.567 23.151 45.728 1.00 0.00 C
471
+ ATOM 470 NZ LYS A 61 21.891 24.468 45.525 1.00 0.00 N
472
+ ATOM 471 N ASN A 62 24.991 18.014 44.714 1.00 0.00 N
473
+ ATOM 472 CA ASN A 62 23.960 16.985 44.618 1.00 0.00 C
474
+ ATOM 473 C ASN A 62 22.566 17.565 44.842 1.00 0.00 C
475
+ ATOM 474 CB ASN A 62 24.232 15.858 45.617 1.00 0.00 C
476
+ ATOM 475 O ASN A 62 22.335 18.273 45.823 1.00 0.00 O
477
+ ATOM 476 CG ASN A 62 23.271 14.697 45.463 1.00 0.00 C
478
+ ATOM 477 ND2 ASN A 62 23.333 14.022 44.321 1.00 0.00 N
479
+ ATOM 478 OD1 ASN A 62 22.477 14.408 46.364 1.00 0.00 O
480
+ ATOM 479 N VAL A 63 21.577 17.270 43.919 1.00 0.00 N
481
+ ATOM 480 CA VAL A 63 20.204 17.760 43.981 1.00 0.00 C
482
+ ATOM 481 C VAL A 63 19.238 16.636 43.616 1.00 0.00 C
483
+ ATOM 482 CB VAL A 63 19.990 18.972 43.047 1.00 0.00 C
484
+ ATOM 483 O VAL A 63 19.640 15.629 43.027 1.00 0.00 O
485
+ ATOM 484 CG1 VAL A 63 20.891 20.135 43.457 1.00 0.00 C
486
+ ATOM 485 CG2 VAL A 63 20.249 18.577 41.595 1.00 0.00 C
487
+ ATOM 486 N ALA A 64 17.974 16.805 43.988 1.00 0.00 N
488
+ ATOM 487 CA ALA A 64 16.950 15.840 43.599 1.00 0.00 C
489
+ ATOM 488 C ALA A 64 16.596 15.982 42.121 1.00 0.00 C
490
+ ATOM 489 CB ALA A 64 15.701 16.012 44.460 1.00 0.00 C
491
+ ATOM 490 O ALA A 64 16.416 17.096 41.623 1.00 0.00 O
492
+ ATOM 491 N CYS A 65 16.575 14.808 41.439 1.00 0.00 N
493
+ ATOM 492 CA CYS A 65 16.132 14.814 40.049 1.00 0.00 C
494
+ ATOM 493 C CYS A 65 14.651 15.159 39.950 1.00 0.00 C
495
+ ATOM 494 CB CYS A 65 16.394 13.457 39.396 1.00 0.00 C
496
+ ATOM 495 O CYS A 65 13.915 15.041 40.932 1.00 0.00 O
497
+ ATOM 496 SG CYS A 65 18.086 12.863 39.608 1.00 0.00 S
498
+ ATOM 497 N LYS A 66 14.150 15.609 38.724 1.00 0.00 N
499
+ ATOM 498 CA LYS A 66 12.741 15.917 38.498 1.00 0.00 C
500
+ ATOM 499 C LYS A 66 11.856 14.718 38.825 1.00 0.00 C
501
+ ATOM 500 CB LYS A 66 12.513 16.355 37.050 1.00 0.00 C
502
+ ATOM 501 O LYS A 66 10.723 14.883 39.282 1.00 0.00 O
503
+ ATOM 502 CG LYS A 66 12.971 17.776 36.754 1.00 0.00 C
504
+ ATOM 503 CD LYS A 66 12.637 18.185 35.326 1.00 0.00 C
505
+ ATOM 504 CE LYS A 66 13.078 19.612 35.034 1.00 0.00 C
506
+ ATOM 505 NZ LYS A 66 12.887 19.969 33.596 1.00 0.00 N
507
+ ATOM 506 N ASN A 67 12.399 13.460 38.626 1.00 0.00 N
508
+ ATOM 507 CA ASN A 67 11.616 12.254 38.870 1.00 0.00 C
509
+ ATOM 508 C ASN A 67 11.777 11.761 40.305 1.00 0.00 C
510
+ ATOM 509 CB ASN A 67 12.007 11.150 37.884 1.00 0.00 C
511
+ ATOM 510 O ASN A 67 11.278 10.691 40.658 1.00 0.00 O
512
+ ATOM 511 CG ASN A 67 13.452 10.719 38.032 1.00 0.00 C
513
+ ATOM 512 ND2 ASN A 67 13.911 9.862 37.128 1.00 0.00 N
514
+ ATOM 513 OD1 ASN A 67 14.151 11.152 38.954 1.00 0.00 O
515
+ ATOM 514 N GLY A 68 12.612 12.497 41.100 1.00 0.00 N
516
+ ATOM 515 CA GLY A 68 12.745 12.164 42.510 1.00 0.00 C
517
+ ATOM 516 C GLY A 68 13.989 11.354 42.816 1.00 0.00 C
518
+ ATOM 517 O GLY A 68 14.322 11.133 43.982 1.00 0.00 O
519
+ ATOM 518 N GLN A 69 14.717 10.888 41.801 1.00 0.00 N
520
+ ATOM 519 CA GLN A 69 15.972 10.177 42.020 1.00 0.00 C
521
+ ATOM 520 C GLN A 69 17.016 11.087 42.660 1.00 0.00 C
522
+ ATOM 521 CB GLN A 69 16.505 9.610 40.704 1.00 0.00 C
523
+ ATOM 522 O GLN A 69 16.908 12.313 42.587 1.00 0.00 O
524
+ ATOM 523 CG GLN A 69 15.602 8.555 40.077 1.00 0.00 C
525
+ ATOM 524 CD GLN A 69 16.114 8.069 38.734 1.00 0.00 C
526
+ ATOM 525 NE2 GLN A 69 16.164 6.752 38.562 1.00 0.00 N
527
+ ATOM 526 OE1 GLN A 69 16.460 8.868 37.860 1.00 0.00 O
528
+ ATOM 527 N THR A 70 18.024 10.458 43.268 1.00 0.00 N
529
+ ATOM 528 CA THR A 70 18.967 11.232 44.067 1.00 0.00 C
530
+ ATOM 529 C THR A 70 20.334 11.281 43.393 1.00 0.00 C
531
+ ATOM 530 CB THR A 70 19.111 10.644 45.484 1.00 0.00 C
532
+ ATOM 531 O THR A 70 21.333 11.633 44.025 1.00 0.00 O
533
+ ATOM 532 CG2 THR A 70 17.788 10.696 46.238 1.00 0.00 C
534
+ ATOM 533 OG1 THR A 70 19.541 9.280 45.388 1.00 0.00 O
535
+ ATOM 534 N ASN A 71 20.423 10.893 42.151 1.00 0.00 N
536
+ ATOM 535 CA ASN A 71 21.720 10.865 41.483 1.00 0.00 C
537
+ ATOM 536 C ASN A 71 21.883 12.038 40.522 1.00 0.00 C
538
+ ATOM 537 CB ASN A 71 21.913 9.540 40.742 1.00 0.00 C
539
+ ATOM 538 O ASN A 71 22.567 11.922 39.504 1.00 0.00 O
540
+ ATOM 539 CG ASN A 71 20.907 9.343 39.626 1.00 0.00 C
541
+ ATOM 540 ND2 ASN A 71 21.317 8.648 38.572 1.00 0.00 N
542
+ ATOM 541 OD1 ASN A 71 19.768 9.813 39.709 1.00 0.00 O
543
+ ATOM 542 N CYS A 72 21.232 13.168 40.848 1.00 0.00 N
544
+ ATOM 543 CA CYS A 72 21.369 14.351 40.006 1.00 0.00 C
545
+ ATOM 544 C CYS A 72 22.303 15.372 40.646 1.00 0.00 C
546
+ ATOM 545 CB CYS A 72 20.003 14.988 39.747 1.00 0.00 C
547
+ ATOM 546 O CYS A 72 22.354 15.489 41.871 1.00 0.00 O
548
+ ATOM 547 SG CYS A 72 19.033 14.139 38.482 1.00 0.00 S
549
+ ATOM 548 N TYR A 73 23.046 16.042 39.803 1.00 0.00 N
550
+ ATOM 549 CA TYR A 73 24.031 17.031 40.228 1.00 0.00 C
551
+ ATOM 550 C TYR A 73 23.895 18.317 39.422 1.00 0.00 C
552
+ ATOM 551 CB TYR A 73 25.451 16.472 40.086 1.00 0.00 C
553
+ ATOM 552 O TYR A 73 23.676 18.278 38.210 1.00 0.00 O
554
+ ATOM 553 CG TYR A 73 25.692 15.218 40.890 1.00 0.00 C
555
+ ATOM 554 CD1 TYR A 73 26.317 15.274 42.133 1.00 0.00 C
556
+ ATOM 555 CD2 TYR A 73 25.297 13.975 40.408 1.00 0.00 C
557
+ ATOM 556 CE1 TYR A 73 26.545 14.121 42.877 1.00 0.00 C
558
+ ATOM 557 CE2 TYR A 73 25.520 12.815 41.143 1.00 0.00 C
559
+ ATOM 558 OH TYR A 73 26.364 11.753 43.106 1.00 0.00 O
560
+ ATOM 559 CZ TYR A 73 26.143 12.898 42.374 1.00 0.00 C
561
+ ATOM 560 N GLN A 74 24.019 19.414 40.098 1.00 0.00 N
562
+ ATOM 561 CA GLN A 74 23.945 20.745 39.505 1.00 0.00 C
563
+ ATOM 562 C GLN A 74 25.329 21.378 39.398 1.00 0.00 C
564
+ ATOM 563 CB GLN A 74 23.016 21.645 40.321 1.00 0.00 C
565
+ ATOM 564 O GLN A 74 26.116 21.326 40.346 1.00 0.00 O
566
+ ATOM 565 CG GLN A 74 22.925 23.071 39.795 1.00 0.00 C
567
+ ATOM 566 CD GLN A 74 22.007 23.946 40.628 1.00 0.00 C
568
+ ATOM 567 NE2 GLN A 74 22.201 25.258 40.545 1.00 0.00 N
569
+ ATOM 568 OE1 GLN A 74 21.129 23.447 41.339 1.00 0.00 O
570
+ ATOM 569 N SER A 75 25.610 21.964 38.273 1.00 0.00 N
571
+ ATOM 570 CA SER A 75 26.890 22.639 38.076 1.00 0.00 C
572
+ ATOM 571 C SER A 75 27.031 23.840 39.005 1.00 0.00 C
573
+ ATOM 572 CB SER A 75 27.041 23.088 36.622 1.00 0.00 C
574
+ ATOM 573 O SER A 75 26.044 24.514 39.309 1.00 0.00 O
575
+ ATOM 574 OG SER A 75 26.053 24.047 36.287 1.00 0.00 O
576
+ ATOM 575 N TYR A 76 28.257 24.078 39.483 1.00 0.00 N
577
+ ATOM 576 CA TYR A 76 28.546 25.230 40.329 1.00 0.00 C
578
+ ATOM 577 C TYR A 76 28.489 26.524 39.526 1.00 0.00 C
579
+ ATOM 578 CB TYR A 76 29.921 25.084 40.987 1.00 0.00 C
580
+ ATOM 579 O TYR A 76 28.039 27.556 40.031 1.00 0.00 O
581
+ ATOM 580 CG TYR A 76 29.942 24.109 42.140 1.00 0.00 C
582
+ ATOM 581 CD1 TYR A 76 28.840 23.973 42.982 1.00 0.00 C
583
+ ATOM 582 CD2 TYR A 76 31.062 23.325 42.390 1.00 0.00 C
584
+ ATOM 583 CE1 TYR A 76 28.856 23.078 44.047 1.00 0.00 C
585
+ ATOM 584 CE2 TYR A 76 31.089 22.427 43.452 1.00 0.00 C
586
+ ATOM 585 OH TYR A 76 30.004 21.422 45.326 1.00 0.00 O
587
+ ATOM 586 CZ TYR A 76 29.982 22.310 44.273 1.00 0.00 C
588
+ ATOM 587 N SER A 77 28.919 26.506 38.312 1.00 0.00 N
589
+ ATOM 588 CA SER A 77 28.930 27.671 37.432 1.00 0.00 C
590
+ ATOM 589 C SER A 77 27.970 27.488 36.261 1.00 0.00 C
591
+ ATOM 590 CB SER A 77 30.342 27.935 36.908 1.00 0.00 C
592
+ ATOM 591 O SER A 77 27.595 26.362 35.929 1.00 0.00 O
593
+ ATOM 592 OG SER A 77 30.816 26.828 36.161 1.00 0.00 O
594
+ ATOM 593 N THR A 78 27.550 28.616 35.730 1.00 0.00 N
595
+ ATOM 594 CA THR A 78 26.717 28.539 34.536 1.00 0.00 C
596
+ ATOM 595 C THR A 78 27.522 28.026 33.346 1.00 0.00 C
597
+ ATOM 596 CB THR A 78 26.104 29.909 34.191 1.00 0.00 C
598
+ ATOM 597 O THR A 78 28.744 28.190 33.300 1.00 0.00 O
599
+ ATOM 598 CG2 THR A 78 25.235 30.426 35.334 1.00 0.00 C
600
+ ATOM 599 OG1 THR A 78 27.157 30.848 33.945 1.00 0.00 O
601
+ ATOM 600 N MET A 79 26.842 27.364 32.564 1.00 0.00 N
602
+ ATOM 601 CA MET A 79 27.411 26.839 31.326 1.00 0.00 C
603
+ ATOM 602 C MET A 79 26.656 27.369 30.112 1.00 0.00 C
604
+ ATOM 603 CB MET A 79 27.388 25.309 31.329 1.00 0.00 C
605
+ ATOM 604 O MET A 79 25.461 27.659 30.196 1.00 0.00 O
606
+ ATOM 605 CG MET A 79 28.205 24.685 32.449 1.00 0.00 C
607
+ ATOM 606 SD MET A 79 28.264 22.855 32.341 1.00 0.00 S
608
+ ATOM 607 CE MET A 79 29.434 22.493 33.679 1.00 0.00 C
609
+ ATOM 608 N SER A 80 27.415 27.592 29.016 1.00 0.00 N
610
+ ATOM 609 CA SER A 80 26.796 28.022 27.766 1.00 0.00 C
611
+ ATOM 610 C SER A 80 25.969 26.902 27.144 1.00 0.00 C
612
+ ATOM 611 CB SER A 80 27.860 28.492 26.774 1.00 0.00 C
613
+ ATOM 612 O SER A 80 26.480 25.807 26.902 1.00 0.00 O
614
+ ATOM 613 OG SER A 80 27.261 28.985 25.589 1.00 0.00 O
615
+ ATOM 614 N ILE A 81 24.600 27.169 26.927 1.00 0.00 N
616
+ ATOM 615 CA ILE A 81 23.718 26.139 26.390 1.00 0.00 C
617
+ ATOM 616 C ILE A 81 22.829 26.737 25.302 1.00 0.00 C
618
+ ATOM 617 CB ILE A 81 22.853 25.500 27.499 1.00 0.00 C
619
+ ATOM 618 O ILE A 81 22.676 27.959 25.219 1.00 0.00 O
620
+ ATOM 619 CG1 ILE A 81 21.941 26.553 28.138 1.00 0.00 C
621
+ ATOM 620 CG2 ILE A 81 23.736 24.827 28.553 1.00 0.00 C
622
+ ATOM 621 CD1 ILE A 81 20.783 25.968 28.935 1.00 0.00 C
623
+ ATOM 622 N THR A 82 22.323 25.906 24.463 1.00 0.00 N
624
+ ATOM 623 CA THR A 82 21.244 26.232 23.537 1.00 0.00 C
625
+ ATOM 624 C THR A 82 20.034 25.333 23.779 1.00 0.00 C
626
+ ATOM 625 CB THR A 82 21.703 26.097 22.074 1.00 0.00 C
627
+ ATOM 626 O THR A 82 20.145 24.107 23.727 1.00 0.00 O
628
+ ATOM 627 CG2 THR A 82 20.563 26.408 21.109 1.00 0.00 C
629
+ ATOM 628 OG1 THR A 82 22.782 27.009 21.832 1.00 0.00 O
630
+ ATOM 629 N ASP A 83 18.902 25.919 24.110 1.00 0.00 N
631
+ ATOM 630 CA ASP A 83 17.628 25.216 24.226 1.00 0.00 C
632
+ ATOM 631 C ASP A 83 16.891 25.189 22.889 1.00 0.00 C
633
+ ATOM 632 CB ASP A 83 16.751 25.866 25.298 1.00 0.00 C
634
+ ATOM 633 O ASP A 83 16.709 26.230 22.254 1.00 0.00 O
635
+ ATOM 634 CG ASP A 83 17.233 25.585 26.710 1.00 0.00 C
636
+ ATOM 635 OD1 ASP A 83 17.642 24.441 26.998 1.00 0.00 O
637
+ ATOM 636 OD2 ASP A 83 17.200 26.518 27.543 1.00 0.00 O
638
+ ATOM 637 N CYS A 84 16.633 24.047 22.472 1.00 0.00 N
639
+ ATOM 638 CA CYS A 84 15.837 23.812 21.272 1.00 0.00 C
640
+ ATOM 639 C CYS A 84 14.419 23.387 21.633 1.00 0.00 C
641
+ ATOM 640 CB CYS A 84 16.492 22.743 20.397 1.00 0.00 C
642
+ ATOM 641 O CYS A 84 14.217 22.332 22.239 1.00 0.00 O
643
+ ATOM 642 SG CYS A 84 18.148 23.183 19.827 1.00 0.00 S
644
+ ATOM 643 N ARG A 85 13.461 24.170 21.262 1.00 0.00 N
645
+ ATOM 644 CA ARG A 85 12.063 23.868 21.547 1.00 0.00 C
646
+ ATOM 645 C ARG A 85 11.239 23.828 20.264 1.00 0.00 C
647
+ ATOM 646 CB ARG A 85 11.477 24.898 22.514 1.00 0.00 C
648
+ ATOM 647 O ARG A 85 11.288 24.760 19.459 1.00 0.00 O
649
+ ATOM 648 CG ARG A 85 10.044 24.606 22.931 1.00 0.00 C
650
+ ATOM 649 CD ARG A 85 9.551 25.590 23.982 1.00 0.00 C
651
+ ATOM 650 NE ARG A 85 10.233 25.403 25.259 1.00 0.00 N
652
+ ATOM 651 NH1 ARG A 85 8.614 24.022 26.157 1.00 0.00 N
653
+ ATOM 652 NH2 ARG A 85 10.476 24.560 27.381 1.00 0.00 N
654
+ ATOM 653 CZ ARG A 85 9.773 24.662 26.263 1.00 0.00 C
655
+ ATOM 654 N GLU A 86 10.529 22.772 20.142 1.00 0.00 N
656
+ ATOM 655 CA GLU A 86 9.657 22.613 18.982 1.00 0.00 C
657
+ ATOM 656 C GLU A 86 8.643 23.750 18.895 1.00 0.00 C
658
+ ATOM 657 CB GLU A 86 8.932 21.266 19.036 1.00 0.00 C
659
+ ATOM 658 O GLU A 86 8.050 24.140 19.902 1.00 0.00 O
660
+ ATOM 659 CG GLU A 86 8.151 20.937 17.772 1.00 0.00 C
661
+ ATOM 660 CD GLU A 86 7.401 19.617 17.855 1.00 0.00 C
662
+ ATOM 661 OE1 GLU A 86 7.223 19.090 18.977 1.00 0.00 O
663
+ ATOM 662 OE2 GLU A 86 6.990 19.104 16.790 1.00 0.00 O
664
+ ATOM 663 N THR A 87 8.502 24.308 17.673 1.00 0.00 N
665
+ ATOM 664 CA THR A 87 7.589 25.423 17.451 1.00 0.00 C
666
+ ATOM 665 C THR A 87 6.196 24.919 17.087 1.00 0.00 C
667
+ ATOM 666 CB THR A 87 8.106 26.356 16.341 1.00 0.00 C
668
+ ATOM 667 O THR A 87 6.021 23.743 16.759 1.00 0.00 O
669
+ ATOM 668 CG2 THR A 87 9.546 26.781 16.606 1.00 0.00 C
670
+ ATOM 669 OG1 THR A 87 8.046 25.672 15.083 1.00 0.00 O
671
+ ATOM 670 N GLY A 88 5.178 25.874 17.178 1.00 0.00 N
672
+ ATOM 671 CA GLY A 88 3.808 25.556 16.808 1.00 0.00 C
673
+ ATOM 672 C GLY A 88 3.659 25.170 15.349 1.00 0.00 C
674
+ ATOM 673 O GLY A 88 2.686 24.513 14.972 1.00 0.00 O
675
+ ATOM 674 N SER A 89 4.595 25.531 14.535 1.00 0.00 N
676
+ ATOM 675 CA SER A 89 4.528 25.260 13.103 1.00 0.00 C
677
+ ATOM 676 C SER A 89 5.193 23.930 12.760 1.00 0.00 C
678
+ ATOM 677 CB SER A 89 5.188 26.389 12.311 1.00 0.00 C
679
+ ATOM 678 O SER A 89 5.224 23.529 11.595 1.00 0.00 O
680
+ ATOM 679 OG SER A 89 6.562 26.498 12.641 1.00 0.00 O
681
+ ATOM 680 N SER A 90 5.648 23.214 13.675 1.00 0.00 N
682
+ ATOM 681 CA SER A 90 6.362 21.960 13.459 1.00 0.00 C
683
+ ATOM 682 C SER A 90 5.407 20.845 13.045 1.00 0.00 C
684
+ ATOM 683 CB SER A 90 7.122 21.550 14.720 1.00 0.00 C
685
+ ATOM 684 O SER A 90 4.361 20.653 13.669 1.00 0.00 O
686
+ ATOM 685 OG SER A 90 7.908 20.396 14.481 1.00 0.00 O
687
+ ATOM 686 N LYS A 91 5.795 20.108 12.034 1.00 0.00 N
688
+ ATOM 687 CA LYS A 91 5.115 18.915 11.537 1.00 0.00 C
689
+ ATOM 688 C LYS A 91 6.119 17.859 11.084 1.00 0.00 C
690
+ ATOM 689 CB LYS A 91 4.175 19.272 10.386 1.00 0.00 C
691
+ ATOM 690 O LYS A 91 6.934 18.111 10.194 1.00 0.00 O
692
+ ATOM 691 CG LYS A 91 3.215 18.157 10.000 1.00 0.00 C
693
+ ATOM 692 CD LYS A 91 2.217 18.616 8.945 1.00 0.00 C
694
+ ATOM 693 CE LYS A 91 1.269 17.495 8.545 1.00 0.00 C
695
+ ATOM 694 NZ LYS A 91 0.246 17.960 7.561 1.00 0.00 N
696
+ ATOM 695 N TYR A 92 5.957 16.676 11.643 1.00 0.00 N
697
+ ATOM 696 CA TYR A 92 6.851 15.605 11.213 1.00 0.00 C
698
+ ATOM 697 C TYR A 92 6.612 15.250 9.751 1.00 0.00 C
699
+ ATOM 698 CB TYR A 92 6.662 14.363 12.090 1.00 0.00 C
700
+ ATOM 699 O TYR A 92 5.466 15.099 9.322 1.00 0.00 O
701
+ ATOM 700 CG TYR A 92 7.562 13.212 11.713 1.00 0.00 C
702
+ ATOM 701 CD1 TYR A 92 8.883 13.161 12.154 1.00 0.00 C
703
+ ATOM 702 CD2 TYR A 92 7.095 12.174 10.915 1.00 0.00 C
704
+ ATOM 703 CE1 TYR A 92 9.717 12.103 11.808 1.00 0.00 C
705
+ ATOM 704 CE2 TYR A 92 7.920 11.110 10.563 1.00 0.00 C
706
+ ATOM 705 OH TYR A 92 10.048 10.035 10.667 1.00 0.00 O
707
+ ATOM 706 CZ TYR A 92 9.227 11.084 11.013 1.00 0.00 C
708
+ ATOM 707 N PRO A 93 7.660 15.097 9.035 1.00 0.00 N
709
+ ATOM 708 CA PRO A 93 9.080 15.024 9.389 1.00 0.00 C
710
+ ATOM 709 C PRO A 93 9.784 16.374 9.282 1.00 0.00 C
711
+ ATOM 710 CB PRO A 93 9.645 14.028 8.372 1.00 0.00 C
712
+ ATOM 711 O PRO A 93 11.013 16.442 9.375 1.00 0.00 O
713
+ ATOM 712 CG PRO A 93 8.835 14.245 7.135 1.00 0.00 C
714
+ ATOM 713 CD PRO A 93 7.426 14.570 7.538 1.00 0.00 C
715
+ ATOM 714 N ASN A 94 9.029 17.465 8.994 1.00 0.00 N
716
+ ATOM 715 CA ASN A 94 9.596 18.808 8.940 1.00 0.00 C
717
+ ATOM 716 C ASN A 94 9.561 19.487 10.306 1.00 0.00 C
718
+ ATOM 717 CB ASN A 94 8.860 19.661 7.905 1.00 0.00 C
719
+ ATOM 718 O ASN A 94 8.735 20.369 10.544 1.00 0.00 O
720
+ ATOM 719 CG ASN A 94 8.929 19.073 6.509 1.00 0.00 C
721
+ ATOM 720 ND2 ASN A 94 7.812 19.112 5.792 1.00 0.00 N
722
+ ATOM 721 OD1 ASN A 94 9.978 18.588 6.077 1.00 0.00 O
723
+ ATOM 722 N CYS A 95 10.432 19.080 11.143 1.00 0.00 N
724
+ ATOM 723 CA CYS A 95 10.485 19.590 12.509 1.00 0.00 C
725
+ ATOM 724 C CYS A 95 11.104 20.982 12.548 1.00 0.00 C
726
+ ATOM 725 CB CYS A 95 11.283 18.643 13.404 1.00 0.00 C
727
+ ATOM 726 O CYS A 95 12.117 21.235 11.892 1.00 0.00 O
728
+ ATOM 727 SG CYS A 95 10.674 16.942 13.389 1.00 0.00 S
729
+ ATOM 728 N ALA A 96 10.480 21.937 13.186 1.00 0.00 N
730
+ ATOM 729 CA ALA A 96 10.936 23.316 13.340 1.00 0.00 C
731
+ ATOM 730 C ALA A 96 11.141 23.664 14.811 1.00 0.00 C
732
+ ATOM 731 CB ALA A 96 9.939 24.280 12.703 1.00 0.00 C
733
+ ATOM 732 O ALA A 96 10.286 23.370 15.650 1.00 0.00 O
734
+ ATOM 733 N TYR A 97 12.273 24.309 15.073 1.00 0.00 N
735
+ ATOM 734 CA TYR A 97 12.629 24.560 16.466 1.00 0.00 C
736
+ ATOM 735 C TYR A 97 13.037 26.014 16.671 1.00 0.00 C
737
+ ATOM 736 CB TYR A 97 13.763 23.631 16.908 1.00 0.00 C
738
+ ATOM 737 O TYR A 97 13.691 26.609 15.812 1.00 0.00 O
739
+ ATOM 738 CG TYR A 97 13.389 22.170 16.899 1.00 0.00 C
740
+ ATOM 739 CD1 TYR A 97 12.854 21.561 18.032 1.00 0.00 C
741
+ ATOM 740 CD2 TYR A 97 13.571 21.394 15.759 1.00 0.00 C
742
+ ATOM 741 CE1 TYR A 97 12.509 20.213 18.029 1.00 0.00 C
743
+ ATOM 742 CE2 TYR A 97 13.230 20.045 15.745 1.00 0.00 C
744
+ ATOM 743 OH TYR A 97 12.361 18.130 16.874 1.00 0.00 O
745
+ ATOM 744 CZ TYR A 97 12.700 19.465 16.883 1.00 0.00 C
746
+ ATOM 745 N LYS A 98 12.635 26.541 17.787 1.00 0.00 N
747
+ ATOM 746 CA LYS A 98 13.166 27.802 18.294 1.00 0.00 C
748
+ ATOM 747 C LYS A 98 14.519 27.595 18.970 1.00 0.00 C
749
+ ATOM 748 CB LYS A 98 12.184 28.444 19.275 1.00 0.00 C
750
+ ATOM 749 O LYS A 98 14.685 26.670 19.768 1.00 0.00 O
751
+ ATOM 750 CG LYS A 98 12.605 29.822 19.761 1.00 0.00 C
752
+ ATOM 751 CD LYS A 98 11.577 30.419 20.712 1.00 0.00 C
753
+ ATOM 752 CE LYS A 98 12.010 31.789 21.219 1.00 0.00 C
754
+ ATOM 753 NZ LYS A 98 11.025 32.357 22.188 1.00 0.00 N
755
+ ATOM 754 N THR A 99 15.460 28.443 18.631 1.00 0.00 N
756
+ ATOM 755 CA THR A 99 16.810 28.424 19.181 1.00 0.00 C
757
+ ATOM 756 C THR A 99 16.972 29.496 20.254 1.00 0.00 C
758
+ ATOM 757 CB THR A 99 17.865 28.634 18.078 1.00 0.00 C
759
+ ATOM 758 O THR A 99 16.777 30.684 19.987 1.00 0.00 O
760
+ ATOM 759 CG2 THR A 99 19.276 28.622 18.658 1.00 0.00 C
761
+ ATOM 760 OG1 THR A 99 17.750 27.584 17.109 1.00 0.00 O
762
+ ATOM 761 N THR A 100 17.233 29.053 21.451 1.00 0.00 N
763
+ ATOM 762 CA THR A 100 17.450 29.987 22.550 1.00 0.00 C
764
+ ATOM 763 C THR A 100 18.794 29.726 23.224 1.00 0.00 C
765
+ ATOM 764 CB THR A 100 16.321 29.894 23.594 1.00 0.00 C
766
+ ATOM 765 O THR A 100 19.000 28.666 23.820 1.00 0.00 O
767
+ ATOM 766 CG2 THR A 100 16.498 30.941 24.689 1.00 0.00 C
768
+ ATOM 767 OG1 THR A 100 15.061 30.103 22.946 1.00 0.00 O
769
+ ATOM 768 N GLN A 101 19.635 30.643 23.162 1.00 0.00 N
770
+ ATOM 769 CA GLN A 101 20.924 30.559 23.840 1.00 0.00 C
771
+ ATOM 770 C GLN A 101 20.859 31.189 25.228 1.00 0.00 C
772
+ ATOM 771 CB GLN A 101 22.014 31.238 23.007 1.00 0.00 C
773
+ ATOM 772 O GLN A 101 20.185 32.202 25.425 1.00 0.00 O
774
+ ATOM 773 CG GLN A 101 22.291 30.548 21.678 1.00 0.00 C
775
+ ATOM 774 CD GLN A 101 23.356 31.255 20.860 1.00 0.00 C
776
+ ATOM 775 NE2 GLN A 101 23.830 30.597 19.808 1.00 0.00 N
777
+ ATOM 776 OE1 GLN A 101 23.748 32.384 21.172 1.00 0.00 O
778
+ ATOM 777 N ALA A 102 21.608 30.555 26.114 1.00 0.00 N
779
+ ATOM 778 CA ALA A 102 21.632 31.081 27.475 1.00 0.00 C
780
+ ATOM 779 C ALA A 102 22.823 30.531 28.255 1.00 0.00 C
781
+ ATOM 780 CB ALA A 102 20.329 30.750 28.197 1.00 0.00 C
782
+ ATOM 781 O ALA A 102 23.437 29.542 27.847 1.00 0.00 O
783
+ ATOM 782 N ASN A 103 23.165 31.239 29.275 1.00 0.00 N
784
+ ATOM 783 CA ASN A 103 24.065 30.739 30.309 1.00 0.00 C
785
+ ATOM 784 C ASN A 103 23.304 30.331 31.566 1.00 0.00 C
786
+ ATOM 785 CB ASN A 103 25.129 31.786 30.648 1.00 0.00 C
787
+ ATOM 786 O ASN A 103 22.736 31.181 32.256 1.00 0.00 O
788
+ ATOM 787 CG ASN A 103 26.090 32.033 29.502 1.00 0.00 C
789
+ ATOM 788 ND2 ASN A 103 26.439 33.295 29.283 1.00 0.00 N
790
+ ATOM 789 OD1 ASN A 103 26.516 31.098 28.820 1.00 0.00 O
791
+ ATOM 790 N LYS A 104 23.237 29.095 31.801 1.00 0.00 N
792
+ ATOM 791 CA LYS A 104 22.466 28.566 32.922 1.00 0.00 C
793
+ ATOM 792 C LYS A 104 23.237 27.470 33.650 1.00 0.00 C
794
+ ATOM 793 CB LYS A 104 21.119 28.026 32.439 1.00 0.00 C
795
+ ATOM 794 O LYS A 104 24.147 26.862 33.083 1.00 0.00 O
796
+ ATOM 795 CG LYS A 104 20.184 29.094 31.890 1.00 0.00 C
797
+ ATOM 796 CD LYS A 104 18.804 28.527 31.588 1.00 0.00 C
798
+ ATOM 797 CE LYS A 104 17.833 29.618 31.154 1.00 0.00 C
799
+ ATOM 798 NZ LYS A 104 16.457 29.079 30.937 1.00 0.00 N
800
+ ATOM 799 N HIS A 105 22.888 27.212 34.876 1.00 0.00 N
801
+ ATOM 800 CA HIS A 105 23.324 25.984 35.530 1.00 0.00 C
802
+ ATOM 801 C HIS A 105 22.598 24.769 34.961 1.00 0.00 C
803
+ ATOM 802 CB HIS A 105 23.097 26.072 37.040 1.00 0.00 C
804
+ ATOM 803 O HIS A 105 21.416 24.852 34.618 1.00 0.00 O
805
+ ATOM 804 CG HIS A 105 23.836 27.196 37.694 1.00 0.00 C
806
+ ATOM 805 CD2 HIS A 105 23.440 28.449 38.020 1.00 0.00 C
807
+ ATOM 806 ND1 HIS A 105 25.153 27.093 38.086 1.00 0.00 N
808
+ ATOM 807 CE1 HIS A 105 25.535 28.237 38.628 1.00 0.00 C
809
+ ATOM 808 NE2 HIS A 105 24.515 29.077 38.600 1.00 0.00 N
810
+ ATOM 809 N ILE A 106 23.285 23.710 34.861 1.00 0.00 N
811
+ ATOM 810 CA ILE A 106 22.650 22.498 34.356 1.00 0.00 C
812
+ ATOM 811 C ILE A 106 22.575 21.453 35.468 1.00 0.00 C
813
+ ATOM 812 CB ILE A 106 23.406 21.928 33.135 1.00 0.00 C
814
+ ATOM 813 O ILE A 106 23.383 21.470 36.399 1.00 0.00 O
815
+ ATOM 814 CG1 ILE A 106 24.826 21.508 33.535 1.00 0.00 C
816
+ ATOM 815 CG2 ILE A 106 23.439 22.951 31.995 1.00 0.00 C
817
+ ATOM 816 CD1 ILE A 106 25.531 20.644 32.499 1.00 0.00 C
818
+ ATOM 817 N ILE A 107 21.589 20.673 35.390 1.00 0.00 N
819
+ ATOM 818 CA ILE A 107 21.410 19.505 36.245 1.00 0.00 C
820
+ ATOM 819 C ILE A 107 21.454 18.235 35.399 1.00 0.00 C
821
+ ATOM 820 CB ILE A 107 20.084 19.579 37.033 1.00 0.00 C
822
+ ATOM 821 O ILE A 107 20.697 18.097 34.435 1.00 0.00 O
823
+ ATOM 822 CG1 ILE A 107 20.070 20.814 37.941 1.00 0.00 C
824
+ ATOM 823 CG2 ILE A 107 19.868 18.299 37.847 1.00 0.00 C
825
+ ATOM 824 CD1 ILE A 107 18.741 21.049 38.646 1.00 0.00 C
826
+ ATOM 825 N VAL A 108 22.339 17.281 35.715 1.00 0.00 N
827
+ ATOM 826 CA VAL A 108 22.476 16.020 34.993 1.00 0.00 C
828
+ ATOM 827 C VAL A 108 22.382 14.852 35.972 1.00 0.00 C
829
+ ATOM 828 CB VAL A 108 23.807 15.955 34.212 1.00 0.00 C
830
+ ATOM 829 O VAL A 108 22.738 14.986 37.144 1.00 0.00 O
831
+ ATOM 830 CG1 VAL A 108 23.850 17.031 33.128 1.00 0.00 C
832
+ ATOM 831 CG2 VAL A 108 24.992 16.103 35.164 1.00 0.00 C
833
+ ATOM 832 N ALA A 109 21.880 13.737 35.481 1.00 0.00 N
834
+ ATOM 833 CA ALA A 109 21.916 12.476 36.218 1.00 0.00 C
835
+ ATOM 834 C ALA A 109 23.194 11.700 35.914 1.00 0.00 C
836
+ ATOM 835 CB ALA A 109 20.691 11.629 35.885 1.00 0.00 C
837
+ ATOM 836 O ALA A 109 23.593 11.579 34.754 1.00 0.00 O
838
+ ATOM 837 N CYS A 110 23.843 11.283 36.917 1.00 0.00 N
839
+ ATOM 838 CA CYS A 110 25.138 10.633 36.754 1.00 0.00 C
840
+ ATOM 839 C CYS A 110 25.084 9.184 37.225 1.00 0.00 C
841
+ ATOM 840 CB CYS A 110 26.218 11.390 37.528 1.00 0.00 C
842
+ ATOM 841 O CYS A 110 24.404 8.869 38.203 1.00 0.00 O
843
+ ATOM 842 SG CYS A 110 26.397 13.116 37.028 1.00 0.00 S
844
+ ATOM 843 N GLU A 111 25.689 8.346 36.479 1.00 0.00 N
845
+ ATOM 844 CA GLU A 111 25.702 6.927 36.819 1.00 0.00 C
846
+ ATOM 845 C GLU A 111 26.975 6.250 36.318 1.00 0.00 C
847
+ ATOM 846 CB GLU A 111 24.470 6.225 36.241 1.00 0.00 C
848
+ ATOM 847 O GLU A 111 27.706 6.817 35.504 1.00 0.00 O
849
+ ATOM 848 CG GLU A 111 23.151 6.745 36.791 1.00 0.00 C
850
+ ATOM 849 CD GLU A 111 21.936 6.061 36.185 1.00 0.00 C
851
+ ATOM 850 OE1 GLU A 111 22.104 5.043 35.477 1.00 0.00 O
852
+ ATOM 851 OE2 GLU A 111 20.807 6.549 36.419 1.00 0.00 O
853
+ ATOM 852 N GLY A 112 27.178 5.033 36.781 1.00 0.00 N
854
+ ATOM 853 CA GLY A 112 28.211 4.166 36.235 1.00 0.00 C
855
+ ATOM 854 C GLY A 112 29.570 4.383 36.873 1.00 0.00 C
856
+ ATOM 855 O GLY A 112 29.716 5.223 37.764 1.00 0.00 O
857
+ ATOM 856 N ASN A 113 30.489 3.630 36.531 1.00 0.00 N
858
+ ATOM 857 CA ASN A 113 31.923 3.705 36.785 1.00 0.00 C
859
+ ATOM 858 C ASN A 113 32.720 3.776 35.486 1.00 0.00 C
860
+ ATOM 859 CB ASN A 113 32.382 2.511 37.626 1.00 0.00 C
861
+ ATOM 860 O ASN A 113 32.893 2.765 34.803 1.00 0.00 O
862
+ ATOM 861 CG ASN A 113 33.803 2.665 38.131 1.00 0.00 C
863
+ ATOM 862 ND2 ASN A 113 34.281 1.669 38.869 1.00 0.00 N
864
+ ATOM 863 OD1 ASN A 113 34.466 3.670 37.861 1.00 0.00 O
865
+ ATOM 864 N PRO A 114 33.188 4.852 35.143 1.00 0.00 N
866
+ ATOM 865 CA PRO A 114 33.270 6.118 35.874 1.00 0.00 C
867
+ ATOM 866 C PRO A 114 31.911 6.796 36.034 1.00 0.00 C
868
+ ATOM 867 CB PRO A 114 34.205 6.966 35.009 1.00 0.00 C
869
+ ATOM 868 O PRO A 114 30.961 6.461 35.321 1.00 0.00 O
870
+ ATOM 869 CG PRO A 114 33.992 6.470 33.616 1.00 0.00 C
871
+ ATOM 870 CD PRO A 114 33.693 4.998 33.674 1.00 0.00 C
872
+ ATOM 871 N TYR A 115 31.842 7.583 37.003 1.00 0.00 N
873
+ ATOM 872 CA TYR A 115 30.649 8.348 37.345 1.00 0.00 C
874
+ ATOM 873 C TYR A 115 30.468 9.530 36.400 1.00 0.00 C
875
+ ATOM 874 CB TYR A 115 30.726 8.846 38.792 1.00 0.00 C
876
+ ATOM 875 O TYR A 115 31.170 10.538 36.513 1.00 0.00 O
877
+ ATOM 876 CG TYR A 115 29.393 9.265 39.362 1.00 0.00 C
878
+ ATOM 877 CD1 TYR A 115 28.334 8.363 39.444 1.00 0.00 C
879
+ ATOM 878 CD2 TYR A 115 29.188 10.563 39.818 1.00 0.00 C
880
+ ATOM 879 CE1 TYR A 115 27.103 8.745 39.968 1.00 0.00 C
881
+ ATOM 880 CE2 TYR A 115 27.961 10.956 40.342 1.00 0.00 C
882
+ ATOM 881 OH TYR A 115 25.710 10.425 40.932 1.00 0.00 O
883
+ ATOM 882 CZ TYR A 115 26.926 10.041 40.413 1.00 0.00 C
884
+ ATOM 883 N VAL A 116 29.586 9.362 35.292 1.00 0.00 N
885
+ ATOM 884 CA VAL A 116 29.479 10.299 34.180 1.00 0.00 C
886
+ ATOM 885 C VAL A 116 28.010 10.612 33.906 1.00 0.00 C
887
+ ATOM 886 CB VAL A 116 30.152 9.745 32.904 1.00 0.00 C
888
+ ATOM 887 O VAL A 116 27.124 9.850 34.298 1.00 0.00 O
889
+ ATOM 888 CG1 VAL A 116 31.667 9.665 33.084 1.00 0.00 C
890
+ ATOM 889 CG2 VAL A 116 29.580 8.373 32.552 1.00 0.00 C
891
+ ATOM 890 N PRO A 117 27.771 11.778 33.238 1.00 0.00 N
892
+ ATOM 891 CA PRO A 117 26.396 12.142 32.894 1.00 0.00 C
893
+ ATOM 892 C PRO A 117 25.744 11.146 31.938 1.00 0.00 C
894
+ ATOM 893 CB PRO A 117 26.547 13.514 32.232 1.00 0.00 C
895
+ ATOM 894 O PRO A 117 26.363 10.731 30.955 1.00 0.00 O
896
+ ATOM 895 CG PRO A 117 27.877 14.016 32.695 1.00 0.00 C
897
+ ATOM 896 CD PRO A 117 28.800 12.842 32.856 1.00 0.00 C
898
+ ATOM 897 N VAL A 118 24.442 10.736 32.239 1.00 0.00 N
899
+ ATOM 898 CA VAL A 118 23.721 9.779 31.406 1.00 0.00 C
900
+ ATOM 899 C VAL A 118 22.357 10.350 31.026 1.00 0.00 C
901
+ ATOM 900 CB VAL A 118 23.550 8.420 32.123 1.00 0.00 C
902
+ ATOM 901 O VAL A 118 21.667 9.804 30.161 1.00 0.00 O
903
+ ATOM 902 CG1 VAL A 118 24.905 7.754 32.349 1.00 0.00 C
904
+ ATOM 903 CG2 VAL A 118 22.813 8.607 33.448 1.00 0.00 C
905
+ ATOM 904 N HIS A 119 21.981 11.469 31.640 1.00 0.00 N
906
+ ATOM 905 CA HIS A 119 20.705 12.113 31.348 1.00 0.00 C
907
+ ATOM 906 C HIS A 119 20.749 13.600 31.684 1.00 0.00 C
908
+ ATOM 907 CB HIS A 119 19.573 11.434 32.121 1.00 0.00 C
909
+ ATOM 908 O HIS A 119 21.294 13.991 32.719 1.00 0.00 O
910
+ ATOM 909 CG HIS A 119 18.240 12.084 31.928 1.00 0.00 C
911
+ ATOM 910 CD2 HIS A 119 17.270 11.869 31.009 1.00 0.00 C
912
+ ATOM 911 ND1 HIS A 119 17.781 13.095 32.745 1.00 0.00 N
913
+ ATOM 912 CE1 HIS A 119 16.581 13.473 32.335 1.00 0.00 C
914
+ ATOM 913 NE2 HIS A 119 16.249 12.744 31.283 1.00 0.00 N
915
+ ATOM 914 N PHE A 120 20.237 14.382 30.789 1.00 0.00 N
916
+ ATOM 915 CA PHE A 120 20.050 15.807 31.035 1.00 0.00 C
917
+ ATOM 916 C PHE A 120 18.734 16.063 31.761 1.00 0.00 C
918
+ ATOM 917 CB PHE A 120 20.085 16.591 29.719 1.00 0.00 C
919
+ ATOM 918 O PHE A 120 17.658 15.879 31.188 1.00 0.00 O
920
+ ATOM 919 CG PHE A 120 20.271 18.073 29.901 1.00 0.00 C
921
+ ATOM 920 CD1 PHE A 120 19.206 18.881 30.279 1.00 0.00 C
922
+ ATOM 921 CD2 PHE A 120 21.514 18.658 29.692 1.00 0.00 C
923
+ ATOM 922 CE1 PHE A 120 19.377 20.253 30.447 1.00 0.00 C
924
+ ATOM 923 CE2 PHE A 120 21.692 20.028 29.858 1.00 0.00 C
925
+ ATOM 924 CZ PHE A 120 20.622 20.824 30.235 1.00 0.00 C
926
+ ATOM 925 N ASP A 121 18.805 16.587 32.990 1.00 0.00 N
927
+ ATOM 926 CA ASP A 121 17.596 16.679 33.804 1.00 0.00 C
928
+ ATOM 927 C ASP A 121 16.940 18.050 33.659 1.00 0.00 C
929
+ ATOM 928 CB ASP A 121 17.916 16.401 35.275 1.00 0.00 C
930
+ ATOM 929 O ASP A 121 15.720 18.148 33.519 1.00 0.00 O
931
+ ATOM 930 CG ASP A 121 16.676 16.146 36.112 1.00 0.00 C
932
+ ATOM 931 OD1 ASP A 121 15.960 15.155 35.856 1.00 0.00 O
933
+ ATOM 932 OD2 ASP A 121 16.413 16.945 37.037 1.00 0.00 O
934
+ ATOM 933 N ALA A 122 17.789 19.071 33.710 1.00 0.00 N
935
+ ATOM 934 CA ALA A 122 17.223 20.412 33.597 1.00 0.00 C
936
+ ATOM 935 C ALA A 122 18.320 21.457 33.414 1.00 0.00 C
937
+ ATOM 936 CB ALA A 122 16.380 20.739 34.827 1.00 0.00 C
938
+ ATOM 937 O ALA A 122 19.503 21.160 33.587 1.00 0.00 O
939
+ ATOM 938 N SER A 123 17.945 22.589 32.963 1.00 0.00 N
940
+ ATOM 939 CA SER A 123 18.742 23.808 33.051 1.00 0.00 C
941
+ ATOM 940 C SER A 123 18.052 24.859 33.914 1.00 0.00 C
942
+ ATOM 941 CB SER A 123 19.008 24.377 31.656 1.00 0.00 C
943
+ ATOM 942 O SER A 123 16.831 25.016 33.854 1.00 0.00 O
944
+ ATOM 943 OG SER A 123 17.796 24.762 31.031 1.00 0.00 O
945
+ ATOM 944 N VAL A 124 18.869 25.502 34.800 1.00 0.00 N
946
+ ATOM 945 CA VAL A 124 18.280 26.448 35.741 1.00 0.00 C
947
+ ATOM 946 C VAL A 124 19.119 27.723 35.785 1.00 0.00 C
948
+ ATOM 947 CB VAL A 124 18.159 25.841 37.157 1.00 0.00 C
949
+ ATOM 948 O VAL A 124 20.320 27.694 35.507 1.00 0.00 O
950
+ ATOM 949 CG1 VAL A 124 17.189 24.661 37.158 1.00 0.00 C
951
+ ATOM 950 CG2 VAL A 124 19.532 25.409 37.671 1.00 0.00 C
952
+ ATOM 951 OXT VAL A 124 18.103 28.296 36.115 1.00 0.00 O
953
+ TER 952 VAL A 124
954
+ CONECT 194 642
955
+ CONECT 310 727
956
+ CONECT 446 842
957
+ CONECT 496 547
958
+ CONECT 547 496
959
+ CONECT 642 194
960
+ CONECT 727 310
961
+ CONECT 842 446
962
+ END
1rnm/1rnm_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1svg/1svg_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1svg/1svg_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1uj5/1uj5_ligand.mol2 ADDED
@@ -0,0 +1,61 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1uj5_ligand
7
+ 23 22 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
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14
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15
+ 3 C2 15.0780 0.8750 47.9800 C.2 1 5RP 0.1614
16
+ 4 O2 13.8560 1.1030 48.6040 O.2 1 5RP -0.3863
17
+ 5 C3 15.2920 1.1210 46.5780 C.3 1 5RP 0.1581
18
+ 6 O3 14.7330 2.3990 46.2090 O.3 1 5RP -0.3697
19
+ 7 C4 14.5260 -0.0170 45.8550 C.3 1 5RP 0.1246
20
+ 8 O4 15.0810 -1.3290 46.2160 O.3 1 5RP -0.3841
21
+ 9 C5 14.5990 0.0200 44.3240 C.3 1 5RP 0.1089
22
+ 10 O5 15.7300 -0.2250 43.5110 O.3 1 5RP -0.2733
23
+ 11 P 15.8580 -0.2090 41.9820 P.3 1 5RP 0.2008
24
+ 12 O1P 17.2410 -0.5380 41.5880 O.co2 1 5RP -0.5537
25
+ 13 O2P 15.4760 1.1950 41.3580 O.co2 1 5RP -0.5537
26
+ 14 O3P 14.7790 -1.1350 41.4370 O.co2 1 5RP -0.5537
27
+ 15 H1 16.5729 -0.5803 48.1482 H 1 5RP 0.0793
28
+ 16 H2 17.0813 1.0963 48.5445 H 1 5RP 0.0793
29
+ 17 H3 16.1180 0.7873 50.5336 H 1 5RP 0.2130
30
+ 18 H4 16.3638 1.0940 46.3320 H 1 5RP 0.0857
31
+ 19 H5 15.1530 3.0849 46.7145 H 1 5RP 0.2135
32
+ 20 H6 13.4717 0.0402 46.1636 H 1 5RP 0.0672
33
+ 21 H7 14.5987 -2.0110 45.7634 H 1 5RP 0.2102
34
+ 22 H8 14.2710 1.0339 44.0512 H 1 5RP 0.0641
35
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36
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+ @<TRIPOS>SUBSTRUCTURE
60
+ 1 5RP 1
61
+
1uj5/1uj5_ligand.sdf ADDED
@@ -0,0 +1,55 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1uj5_ligand
2
+ -I-interpret-
3
+
4
+ 25 24 0 0 0 0 0 0 0 0999 V2000
5
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6
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18
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19
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24
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+ 13 24 1 0 0 0
53
+ 14 25 1 0 0 0
54
+ M END
55
+ $$$$
1uj5/1uj5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1uj5/1uj5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1urg/1urg_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1urg/1urg_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2bts/2bts_ligand.mol2 ADDED
@@ -0,0 +1,85 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2bts_ligand
7
+ 34 35 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
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14
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15
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16
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17
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18
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19
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20
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21
+ 9 C8 1.6150 5.8850 29.8150 C.2 1 U32 0.1912
22
+ 10 N9 1.3730 4.4750 30.0180 N.2 1 U32 -0.3316
23
+ 11 N11 5.2210 12.1840 27.9270 N.am 1 U32 -0.2622
24
+ 12 C13 3.9780 9.5890 28.5170 C.ar 1 U32 -0.0451
25
+ 13 C14 5.1310 9.9070 29.2370 C.ar 1 U32 0.0960
26
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27
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28
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29
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30
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31
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32
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33
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34
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35
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40
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41
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42
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43
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44
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45
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46
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47
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+ @<TRIPOS>SUBSTRUCTURE
84
+ 1 U32 1
85
+
2bts/2bts_ligand.sdf ADDED
@@ -0,0 +1,75 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2bts_ligand
2
+ -I-interpret-
3
+
4
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5
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6
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7
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28
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29
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30
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31
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33
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34
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35
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36
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37
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38
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39
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52
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+ 15 32 1 0 0 0
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+ 16 33 1 0 0 0
73
+ 18 34 1 0 0 0
74
+ M END
75
+ $$$$
2bts/2bts_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2bts/2bts_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff