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PDBbind

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1 Parent(s): ecb2661

Add batch 112

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  1. 1a4h/1a4h_ligand.mol2 +177 -0
  2. 1a4h/1a4h_ligand.sdf +167 -0
  3. 1a4h/1a4h_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1a4h/1a4h_protein_processed_fix.pdb +0 -0
  5. 1erq/1erq_ligand.mol2 +80 -0
  6. 1erq/1erq_ligand.sdf +72 -0
  7. 1erq/1erq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1erq/1erq_protein_processed_fix.pdb +0 -0
  9. 1no6/1no6_ligand.mol2 +90 -0
  10. 1no6/1no6_ligand.sdf +84 -0
  11. 1no6/1no6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1no6/1no6_protein_processed_fix.pdb +0 -0
  13. 1rlp/1rlp_ligand.mol2 +343 -0
  14. 1rlp/1rlp_ligand.sdf +331 -0
  15. 1rlp/1rlp_protein_esmfold_aligned_tr_fix.pdb +455 -0
  16. 1rlp/1rlp_protein_processed_fix.pdb +877 -0
  17. 1vcu/1vcu_ligand.mol2 +92 -0
  18. 1vcu/1vcu_ligand.sdf +84 -0
  19. 1vcu/1vcu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1vcu/1vcu_protein_processed_fix.pdb +0 -0
  21. 1y6r/1y6r_ligand.mol2 +94 -0
  22. 1y6r/1y6r_ligand.sdf +82 -0
  23. 1y6r/1y6r_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1y6r/1y6r_protein_processed_fix.pdb +0 -0
  25. 1zfk/1zfk_ligand.mol2 +95 -0
  26. 1zfk/1zfk_ligand.sdf +85 -0
  27. 1zfk/1zfk_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1zfk/1zfk_protein_processed_fix.pdb +0 -0
  29. 2ay9/2ay9_ligand.mol2 +68 -0
  30. 2ay9/2ay9_ligand.sdf +60 -0
  31. 2ay9/2ay9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 2ay9/2ay9_protein_processed_fix.pdb +0 -0
  33. 2chw/2chw_ligand.mol2 +112 -0
  34. 2chw/2chw_ligand.sdf +100 -0
  35. 2chw/2chw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 2chw/2chw_protein_processed_fix.pdb +0 -0
  37. 2dua/2dua_ligand.mol2 +27 -0
  38. 2dua/2dua_ligand.sdf +21 -0
  39. 2dua/2dua_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2dua/2dua_protein_processed_fix.pdb +0 -0
  41. 2e9n/2e9n_ligand.mol2 +145 -0
  42. 2e9n/2e9n_ligand.sdf +133 -0
  43. 2e9n/2e9n_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2e9n/2e9n_protein_processed_fix.pdb +0 -0
  45. 2g8n/2g8n_ligand.mol2 +100 -0
  46. 2g8n/2g8n_ligand.sdf +90 -0
  47. 2g8n/2g8n_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2g8n/2g8n_protein_processed_fix.pdb +0 -0
  49. 2jqk/2jqk_ligand.mol2 +465 -0
  50. 2jqk/2jqk_ligand.sdf +465 -0
1a4h/1a4h_ligand.mol2 ADDED
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+ M END
331
+ $$$$
1rlp/1rlp_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,455 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N THR A 1 4.798 3.658 -25.686 1.00 0.00 N
3
+ ATOM 2 CA THR A 1 3.753 4.176 -24.809 1.00 0.00 C
4
+ ATOM 3 C THR A 1 3.271 3.095 -23.845 1.00 0.00 C
5
+ ATOM 4 CB THR A 1 2.560 4.714 -25.620 1.00 0.00 C
6
+ ATOM 5 O THR A 1 3.120 1.935 -24.230 1.00 0.00 O
7
+ ATOM 6 CG2 THR A 1 1.535 5.383 -24.710 1.00 0.00 C
8
+ ATOM 7 OG1 THR A 1 3.033 5.672 -26.575 1.00 0.00 O
9
+ ATOM 8 N PHE A 2 3.113 3.394 -22.465 1.00 0.00 N
10
+ ATOM 9 CA PHE A 2 2.642 2.541 -21.379 1.00 0.00 C
11
+ ATOM 10 C PHE A 2 1.339 3.077 -20.797 1.00 0.00 C
12
+ ATOM 11 CB PHE A 2 3.704 2.434 -20.280 1.00 0.00 C
13
+ ATOM 12 O PHE A 2 1.039 4.265 -20.923 1.00 0.00 O
14
+ ATOM 13 CG PHE A 2 4.892 1.594 -20.663 1.00 0.00 C
15
+ ATOM 14 CD1 PHE A 2 5.057 0.319 -20.136 1.00 0.00 C
16
+ ATOM 15 CD2 PHE A 2 5.844 2.079 -21.549 1.00 0.00 C
17
+ ATOM 16 CE1 PHE A 2 6.155 -0.462 -20.489 1.00 0.00 C
18
+ ATOM 17 CE2 PHE A 2 6.944 1.305 -21.906 1.00 0.00 C
19
+ ATOM 18 CZ PHE A 2 7.098 0.035 -21.374 1.00 0.00 C
20
+ ATOM 19 N VAL A 3 0.384 2.216 -20.303 1.00 0.00 N
21
+ ATOM 20 CA VAL A 3 -0.856 2.629 -19.652 1.00 0.00 C
22
+ ATOM 21 C VAL A 3 -0.802 2.276 -18.168 1.00 0.00 C
23
+ ATOM 22 CB VAL A 3 -2.089 1.972 -20.311 1.00 0.00 C
24
+ ATOM 23 O VAL A 3 -0.342 1.194 -17.796 1.00 0.00 O
25
+ ATOM 24 CG1 VAL A 3 -2.064 0.456 -20.113 1.00 0.00 C
26
+ ATOM 25 CG2 VAL A 3 -3.376 2.566 -19.745 1.00 0.00 C
27
+ ATOM 26 N ALA A 4 -1.248 3.234 -17.295 1.00 0.00 N
28
+ ATOM 27 CA ALA A 4 -1.327 3.027 -15.852 1.00 0.00 C
29
+ ATOM 28 C ALA A 4 -2.392 1.992 -15.503 1.00 0.00 C
30
+ ATOM 29 CB ALA A 4 -1.618 4.346 -15.140 1.00 0.00 C
31
+ ATOM 30 O ALA A 4 -3.538 2.098 -15.946 1.00 0.00 O
32
+ ATOM 31 N LEU A 5 -2.030 0.960 -14.788 1.00 0.00 N
33
+ ATOM 32 CA LEU A 5 -2.958 -0.079 -14.355 1.00 0.00 C
34
+ ATOM 33 C LEU A 5 -3.644 0.316 -13.051 1.00 0.00 C
35
+ ATOM 34 CB LEU A 5 -2.225 -1.411 -14.176 1.00 0.00 C
36
+ ATOM 35 O LEU A 5 -4.734 -0.173 -12.745 1.00 0.00 O
37
+ ATOM 36 CG LEU A 5 -1.575 -2.000 -15.428 1.00 0.00 C
38
+ ATOM 37 CD1 LEU A 5 -0.772 -3.247 -15.072 1.00 0.00 C
39
+ ATOM 38 CD2 LEU A 5 -2.634 -2.322 -16.479 1.00 0.00 C
40
+ ATOM 39 N TYR A 6 -3.057 1.154 -12.139 1.00 0.00 N
41
+ ATOM 40 CA TYR A 6 -3.521 1.605 -10.833 1.00 0.00 C
42
+ ATOM 41 C TYR A 6 -3.281 3.100 -10.654 1.00 0.00 C
43
+ ATOM 42 CB TYR A 6 -2.819 0.828 -9.714 1.00 0.00 C
44
+ ATOM 43 O TYR A 6 -2.429 3.683 -11.329 1.00 0.00 O
45
+ ATOM 44 CG TYR A 6 -2.911 -0.671 -9.867 1.00 0.00 C
46
+ ATOM 45 CD1 TYR A 6 -4.084 -1.353 -9.548 1.00 0.00 C
47
+ ATOM 46 CD2 TYR A 6 -1.827 -1.409 -10.329 1.00 0.00 C
48
+ ATOM 47 CE1 TYR A 6 -4.174 -2.733 -9.685 1.00 0.00 C
49
+ ATOM 48 CE2 TYR A 6 -1.905 -2.791 -10.471 1.00 0.00 C
50
+ ATOM 49 OH TYR A 6 -3.163 -4.810 -10.285 1.00 0.00 O
51
+ ATOM 50 CZ TYR A 6 -3.081 -3.443 -10.148 1.00 0.00 C
52
+ ATOM 51 N ASP A 7 -3.998 3.686 -9.761 1.00 0.00 N
53
+ ATOM 52 CA ASP A 7 -3.644 5.005 -9.247 1.00 0.00 C
54
+ ATOM 53 C ASP A 7 -2.325 4.960 -8.478 1.00 0.00 C
55
+ ATOM 54 CB ASP A 7 -4.758 5.548 -8.349 1.00 0.00 C
56
+ ATOM 55 O ASP A 7 -2.010 3.957 -7.834 1.00 0.00 O
57
+ ATOM 56 CG ASP A 7 -6.035 5.858 -9.110 1.00 0.00 C
58
+ ATOM 57 OD1 ASP A 7 -6.026 5.818 -10.359 1.00 0.00 O
59
+ ATOM 58 OD2 ASP A 7 -7.060 6.147 -8.454 1.00 0.00 O
60
+ ATOM 59 N TYR A 8 -1.598 6.041 -8.571 1.00 0.00 N
61
+ ATOM 60 CA TYR A 8 -0.398 6.175 -7.754 1.00 0.00 C
62
+ ATOM 61 C TYR A 8 -0.254 7.597 -7.225 1.00 0.00 C
63
+ ATOM 62 CB TYR A 8 0.847 5.788 -8.557 1.00 0.00 C
64
+ ATOM 63 O TYR A 8 -0.239 8.556 -8.001 1.00 0.00 O
65
+ ATOM 64 CG TYR A 8 2.119 5.794 -7.746 1.00 0.00 C
66
+ ATOM 65 CD1 TYR A 8 2.397 4.772 -6.840 1.00 0.00 C
67
+ ATOM 66 CD2 TYR A 8 3.048 6.822 -7.881 1.00 0.00 C
68
+ ATOM 67 CE1 TYR A 8 3.567 4.773 -6.089 1.00 0.00 C
69
+ ATOM 68 CE2 TYR A 8 4.221 6.833 -7.135 1.00 0.00 C
70
+ ATOM 69 OH TYR A 8 5.632 5.814 -5.502 1.00 0.00 O
71
+ ATOM 70 CZ TYR A 8 4.471 5.807 -6.244 1.00 0.00 C
72
+ ATOM 71 N GLU A 9 -0.160 7.795 -6.041 1.00 0.00 N
73
+ ATOM 72 CA GLU A 9 0.097 9.080 -5.395 1.00 0.00 C
74
+ ATOM 73 C GLU A 9 1.567 9.223 -5.017 1.00 0.00 C
75
+ ATOM 74 CB GLU A 9 -0.785 9.244 -4.155 1.00 0.00 C
76
+ ATOM 75 O GLU A 9 2.128 8.357 -4.342 1.00 0.00 O
77
+ ATOM 76 CG GLU A 9 -0.760 10.646 -3.562 1.00 0.00 C
78
+ ATOM 77 CD GLU A 9 -1.773 10.845 -2.446 1.00 0.00 C
79
+ ATOM 78 OE1 GLU A 9 -2.554 9.909 -2.163 1.00 0.00 O
80
+ ATOM 79 OE2 GLU A 9 -1.786 11.945 -1.851 1.00 0.00 O
81
+ ATOM 80 N SER A 10 2.193 10.267 -5.481 1.00 0.00 N
82
+ ATOM 81 CA SER A 10 3.606 10.525 -5.226 1.00 0.00 C
83
+ ATOM 82 C SER A 10 3.895 10.584 -3.730 1.00 0.00 C
84
+ ATOM 83 CB SER A 10 4.041 11.832 -5.889 1.00 0.00 C
85
+ ATOM 84 O SER A 10 3.103 11.130 -2.960 1.00 0.00 O
86
+ ATOM 85 OG SER A 10 3.571 12.950 -5.156 1.00 0.00 O
87
+ ATOM 86 N ARG A 11 5.036 9.938 -3.284 1.00 0.00 N
88
+ ATOM 87 CA ARG A 11 5.468 9.913 -1.891 1.00 0.00 C
89
+ ATOM 88 C ARG A 11 6.710 10.775 -1.687 1.00 0.00 C
90
+ ATOM 89 CB ARG A 11 5.747 8.478 -1.439 1.00 0.00 C
91
+ ATOM 90 O ARG A 11 7.118 11.026 -0.551 1.00 0.00 O
92
+ ATOM 91 CG ARG A 11 4.527 7.573 -1.473 1.00 0.00 C
93
+ ATOM 92 CD ARG A 11 4.867 6.149 -1.053 1.00 0.00 C
94
+ ATOM 93 NE ARG A 11 3.723 5.255 -1.202 1.00 0.00 N
95
+ ATOM 94 NH1 ARG A 11 4.875 3.345 -0.605 1.00 0.00 N
96
+ ATOM 95 NH2 ARG A 11 2.652 3.224 -1.152 1.00 0.00 N
97
+ ATOM 96 CZ ARG A 11 3.752 3.943 -0.986 1.00 0.00 C
98
+ ATOM 97 N THR A 12 7.370 11.206 -2.730 1.00 0.00 N
99
+ ATOM 98 CA THR A 12 8.536 12.083 -2.716 1.00 0.00 C
100
+ ATOM 99 C THR A 12 8.421 13.152 -3.799 1.00 0.00 C
101
+ ATOM 100 CB THR A 12 9.837 11.285 -2.913 1.00 0.00 C
102
+ ATOM 101 O THR A 12 7.563 13.061 -4.680 1.00 0.00 O
103
+ ATOM 102 CG2 THR A 12 9.848 10.026 -2.052 1.00 0.00 C
104
+ ATOM 103 OG1 THR A 12 9.956 10.908 -4.291 1.00 0.00 O
105
+ ATOM 104 N GLU A 13 9.220 14.170 -3.713 1.00 0.00 N
106
+ ATOM 105 CA GLU A 13 9.182 15.261 -4.682 1.00 0.00 C
107
+ ATOM 106 C GLU A 13 9.553 14.771 -6.079 1.00 0.00 C
108
+ ATOM 107 CB GLU A 13 10.120 16.392 -4.255 1.00 0.00 C
109
+ ATOM 108 O GLU A 13 9.222 15.413 -7.077 1.00 0.00 O
110
+ ATOM 109 CG GLU A 13 9.640 17.162 -3.034 1.00 0.00 C
111
+ ATOM 110 CD GLU A 13 10.507 18.367 -2.705 1.00 0.00 C
112
+ ATOM 111 OE1 GLU A 13 11.530 18.584 -3.392 1.00 0.00 O
113
+ ATOM 112 OE2 GLU A 13 10.161 19.097 -1.750 1.00 0.00 O
114
+ ATOM 113 N THR A 14 10.287 13.688 -6.205 1.00 0.00 N
115
+ ATOM 114 CA THR A 14 10.764 13.279 -7.522 1.00 0.00 C
116
+ ATOM 115 C THR A 14 9.800 12.283 -8.160 1.00 0.00 C
117
+ ATOM 116 CB THR A 14 12.170 12.657 -7.438 1.00 0.00 C
118
+ ATOM 117 O THR A 14 9.964 11.911 -9.324 1.00 0.00 O
119
+ ATOM 118 CG2 THR A 14 13.186 13.664 -6.911 1.00 0.00 C
120
+ ATOM 119 OG1 THR A 14 12.134 11.526 -6.560 1.00 0.00 O
121
+ ATOM 120 N ASP A 15 8.721 11.773 -7.425 1.00 0.00 N
122
+ ATOM 121 CA ASP A 15 7.768 10.809 -7.966 1.00 0.00 C
123
+ ATOM 122 C ASP A 15 6.747 11.493 -8.871 1.00 0.00 C
124
+ ATOM 123 CB ASP A 15 7.054 10.068 -6.833 1.00 0.00 C
125
+ ATOM 124 O ASP A 15 6.458 12.679 -8.704 1.00 0.00 O
126
+ ATOM 125 CG ASP A 15 7.981 9.165 -6.038 1.00 0.00 C
127
+ ATOM 126 OD1 ASP A 15 9.145 8.970 -6.450 1.00 0.00 O
128
+ ATOM 127 OD2 ASP A 15 7.542 8.640 -4.991 1.00 0.00 O
129
+ ATOM 128 N LEU A 16 6.218 10.849 -9.745 1.00 0.00 N
130
+ ATOM 129 CA LEU A 16 5.097 11.252 -10.586 1.00 0.00 C
131
+ ATOM 130 C LEU A 16 3.802 10.597 -10.116 1.00 0.00 C
132
+ ATOM 131 CB LEU A 16 5.365 10.888 -12.048 1.00 0.00 C
133
+ ATOM 132 O LEU A 16 3.730 9.373 -9.993 1.00 0.00 O
134
+ ATOM 133 CG LEU A 16 4.304 11.320 -13.061 1.00 0.00 C
135
+ ATOM 134 CD1 LEU A 16 4.283 12.840 -13.192 1.00 0.00 C
136
+ ATOM 135 CD2 LEU A 16 4.557 10.666 -14.415 1.00 0.00 C
137
+ ATOM 136 N SER A 17 2.814 11.380 -9.774 1.00 0.00 N
138
+ ATOM 137 CA SER A 17 1.471 10.869 -9.521 1.00 0.00 C
139
+ ATOM 138 C SER A 17 0.727 10.598 -10.823 1.00 0.00 C
140
+ ATOM 139 CB SER A 17 0.674 11.855 -8.664 1.00 0.00 C
141
+ ATOM 140 O SER A 17 0.895 11.328 -11.803 1.00 0.00 O
142
+ ATOM 141 OG SER A 17 1.246 11.975 -7.373 1.00 0.00 O
143
+ ATOM 142 N PHE A 18 -0.039 9.648 -10.917 1.00 0.00 N
144
+ ATOM 143 CA PHE A 18 -0.857 9.368 -12.091 1.00 0.00 C
145
+ ATOM 144 C PHE A 18 -2.088 8.553 -11.712 1.00 0.00 C
146
+ ATOM 145 CB PHE A 18 -0.040 8.623 -13.151 1.00 0.00 C
147
+ ATOM 146 O PHE A 18 -2.118 7.920 -10.654 1.00 0.00 O
148
+ ATOM 147 CG PHE A 18 0.659 7.397 -12.627 1.00 0.00 C
149
+ ATOM 148 CD1 PHE A 18 1.989 7.457 -12.226 1.00 0.00 C
150
+ ATOM 149 CD2 PHE A 18 -0.013 6.185 -12.537 1.00 0.00 C
151
+ ATOM 150 CE1 PHE A 18 2.639 6.324 -11.741 1.00 0.00 C
152
+ ATOM 151 CE2 PHE A 18 0.630 5.049 -12.052 1.00 0.00 C
153
+ ATOM 152 CZ PHE A 18 1.956 5.121 -11.656 1.00 0.00 C
154
+ ATOM 153 N LYS A 19 -3.135 8.649 -12.538 1.00 0.00 N
155
+ ATOM 154 CA LYS A 19 -4.403 7.944 -12.371 1.00 0.00 C
156
+ ATOM 155 C LYS A 19 -4.473 6.719 -13.277 1.00 0.00 C
157
+ ATOM 156 CB LYS A 19 -5.578 8.878 -12.660 1.00 0.00 C
158
+ ATOM 157 O LYS A 19 -3.848 6.688 -14.339 1.00 0.00 O
159
+ ATOM 158 CG LYS A 19 -5.683 10.057 -11.703 1.00 0.00 C
160
+ ATOM 159 CD LYS A 19 -6.072 9.606 -10.301 1.00 0.00 C
161
+ ATOM 160 CE LYS A 19 -6.415 10.791 -9.408 1.00 0.00 C
162
+ ATOM 161 NZ LYS A 19 -6.720 10.360 -8.010 1.00 0.00 N
163
+ ATOM 162 N LYS A 20 -5.227 5.654 -12.888 1.00 0.00 N
164
+ ATOM 163 CA LYS A 20 -5.471 4.478 -13.718 1.00 0.00 C
165
+ ATOM 164 C LYS A 20 -5.920 4.879 -15.120 1.00 0.00 C
166
+ ATOM 165 CB LYS A 20 -6.519 3.573 -13.070 1.00 0.00 C
167
+ ATOM 166 O LYS A 20 -6.816 5.712 -15.276 1.00 0.00 O
168
+ ATOM 167 CG LYS A 20 -6.811 2.303 -13.856 1.00 0.00 C
169
+ ATOM 168 CD LYS A 20 -7.898 1.470 -13.189 1.00 0.00 C
170
+ ATOM 169 CE LYS A 20 -8.233 0.228 -14.005 1.00 0.00 C
171
+ ATOM 170 NZ LYS A 20 -9.290 -0.598 -13.349 1.00 0.00 N
172
+ ATOM 171 N GLY A 21 -5.333 4.353 -16.181 1.00 0.00 N
173
+ ATOM 172 CA GLY A 21 -5.712 4.601 -17.563 1.00 0.00 C
174
+ ATOM 173 C GLY A 21 -4.860 5.661 -18.234 1.00 0.00 C
175
+ ATOM 174 O GLY A 21 -4.908 5.822 -19.456 1.00 0.00 O
176
+ ATOM 175 N GLU A 22 -4.260 6.477 -17.437 1.00 0.00 N
177
+ ATOM 176 CA GLU A 22 -3.412 7.506 -18.031 1.00 0.00 C
178
+ ATOM 177 C GLU A 22 -2.299 6.885 -18.872 1.00 0.00 C
179
+ ATOM 178 CB GLU A 22 -2.813 8.404 -16.946 1.00 0.00 C
180
+ ATOM 179 O GLU A 22 -1.789 5.813 -18.541 1.00 0.00 O
181
+ ATOM 180 CG GLU A 22 -3.811 9.376 -16.333 1.00 0.00 C
182
+ ATOM 181 CD GLU A 22 -3.150 10.520 -15.581 1.00 0.00 C
183
+ ATOM 182 OE1 GLU A 22 -1.940 10.766 -15.793 1.00 0.00 O
184
+ ATOM 183 OE2 GLU A 22 -3.846 11.175 -14.774 1.00 0.00 O
185
+ ATOM 184 N ARG A 23 -1.841 7.434 -20.025 1.00 0.00 N
186
+ ATOM 185 CA ARG A 23 -0.759 6.987 -20.896 1.00 0.00 C
187
+ ATOM 186 C ARG A 23 0.563 7.641 -20.508 1.00 0.00 C
188
+ ATOM 187 CB ARG A 23 -1.085 7.293 -22.359 1.00 0.00 C
189
+ ATOM 188 O ARG A 23 0.622 8.853 -20.290 1.00 0.00 O
190
+ ATOM 189 CG ARG A 23 -2.296 6.543 -22.890 1.00 0.00 C
191
+ ATOM 190 CD ARG A 23 -2.587 6.896 -24.342 1.00 0.00 C
192
+ ATOM 191 NE ARG A 23 -1.554 6.384 -25.239 1.00 0.00 N
193
+ ATOM 192 NH1 ARG A 23 -2.434 7.353 -27.142 1.00 0.00 N
194
+ ATOM 193 NH2 ARG A 23 -0.521 6.097 -27.269 1.00 0.00 N
195
+ ATOM 194 CZ ARG A 23 -1.506 6.613 -26.548 1.00 0.00 C
196
+ ATOM 195 N LEU A 24 1.636 6.905 -20.425 1.00 0.00 N
197
+ ATOM 196 CA LEU A 24 2.945 7.326 -19.938 1.00 0.00 C
198
+ ATOM 197 C LEU A 24 4.038 6.968 -20.940 1.00 0.00 C
199
+ ATOM 198 CB LEU A 24 3.247 6.681 -18.584 1.00 0.00 C
200
+ ATOM 199 O LEU A 24 4.007 5.891 -21.541 1.00 0.00 O
201
+ ATOM 200 CG LEU A 24 2.239 6.950 -17.465 1.00 0.00 C
202
+ ATOM 201 CD1 LEU A 24 2.452 5.972 -16.315 1.00 0.00 C
203
+ ATOM 202 CD2 LEU A 24 2.353 8.389 -16.977 1.00 0.00 C
204
+ ATOM 203 N GLN A 25 4.905 7.888 -21.276 1.00 0.00 N
205
+ ATOM 204 CA GLN A 25 6.139 7.600 -22.000 1.00 0.00 C
206
+ ATOM 205 C GLN A 25 7.302 7.379 -21.036 1.00 0.00 C
207
+ ATOM 206 CB GLN A 25 6.470 8.735 -22.970 1.00 0.00 C
208
+ ATOM 207 O GLN A 25 7.595 8.235 -20.200 1.00 0.00 O
209
+ ATOM 208 CG GLN A 25 7.683 8.459 -23.848 1.00 0.00 C
210
+ ATOM 209 CD GLN A 25 7.955 9.573 -24.842 1.00 0.00 C
211
+ ATOM 210 NE2 GLN A 25 8.897 9.342 -25.748 1.00 0.00 N
212
+ ATOM 211 OE1 GLN A 25 7.321 10.632 -24.794 1.00 0.00 O
213
+ ATOM 212 N ILE A 26 7.951 6.173 -21.148 1.00 0.00 N
214
+ ATOM 213 CA ILE A 26 9.098 5.813 -20.322 1.00 0.00 C
215
+ ATOM 214 C ILE A 26 10.365 6.438 -20.900 1.00 0.00 C
216
+ ATOM 215 CB ILE A 26 9.258 4.279 -20.215 1.00 0.00 C
217
+ ATOM 216 O ILE A 26 10.688 6.234 -22.072 1.00 0.00 O
218
+ ATOM 217 CG1 ILE A 26 7.955 3.640 -19.724 1.00 0.00 C
219
+ ATOM 218 CG2 ILE A 26 10.426 3.922 -19.290 1.00 0.00 C
220
+ ATOM 219 CD1 ILE A 26 7.488 4.148 -18.366 1.00 0.00 C
221
+ ATOM 220 N VAL A 27 10.967 7.370 -20.231 1.00 0.00 N
222
+ ATOM 221 CA VAL A 27 12.159 8.103 -20.643 1.00 0.00 C
223
+ ATOM 222 C VAL A 27 13.408 7.297 -20.291 1.00 0.00 C
224
+ ATOM 223 CB VAL A 27 12.223 9.499 -19.985 1.00 0.00 C
225
+ ATOM 224 O VAL A 27 14.375 7.272 -21.056 1.00 0.00 O
226
+ ATOM 225 CG1 VAL A 27 13.508 10.224 -20.379 1.00 0.00 C
227
+ ATOM 226 CG2 VAL A 27 10.999 10.327 -20.373 1.00 0.00 C
228
+ ATOM 227 N ASN A 28 13.560 6.641 -19.100 1.00 0.00 N
229
+ ATOM 228 CA ASN A 28 14.699 5.870 -18.615 1.00 0.00 C
230
+ ATOM 229 C ASN A 28 14.254 4.718 -17.717 1.00 0.00 C
231
+ ATOM 230 CB ASN A 28 15.681 6.775 -17.868 1.00 0.00 C
232
+ ATOM 231 O ASN A 28 13.548 4.931 -16.730 1.00 0.00 O
233
+ ATOM 232 CG ASN A 28 16.977 6.070 -17.521 1.00 0.00 C
234
+ ATOM 233 ND2 ASN A 28 17.896 6.793 -16.892 1.00 0.00 N
235
+ ATOM 234 OD1 ASN A 28 17.153 4.886 -17.817 1.00 0.00 O
236
+ ATOM 235 N ASN A 29 14.542 3.425 -18.164 1.00 0.00 N
237
+ ATOM 236 CA ASN A 29 14.271 2.206 -17.409 1.00 0.00 C
238
+ ATOM 237 C ASN A 29 15.558 1.464 -17.060 1.00 0.00 C
239
+ ATOM 238 CB ASN A 29 13.325 1.290 -18.190 1.00 0.00 C
240
+ ATOM 239 O ASN A 29 15.542 0.250 -16.850 1.00 0.00 O
241
+ ATOM 240 CG ASN A 29 13.921 0.818 -19.502 1.00 0.00 C
242
+ ATOM 241 ND2 ASN A 29 13.156 0.035 -20.253 1.00 0.00 N
243
+ ATOM 242 OD1 ASN A 29 15.060 1.154 -19.837 1.00 0.00 O
244
+ ATOM 243 N THR A 30 16.861 2.071 -17.235 1.00 0.00 N
245
+ ATOM 244 CA THR A 30 18.103 1.309 -17.304 1.00 0.00 C
246
+ ATOM 245 C THR A 30 18.475 0.756 -15.930 1.00 0.00 C
247
+ ATOM 246 CB THR A 30 19.259 2.173 -17.842 1.00 0.00 C
248
+ ATOM 247 O THR A 30 19.097 -0.304 -15.830 1.00 0.00 O
249
+ ATOM 248 CG2 THR A 30 19.159 2.345 -19.354 1.00 0.00 C
250
+ ATOM 249 OG1 THR A 30 19.213 3.463 -17.221 1.00 0.00 O
251
+ ATOM 250 N GLU A 31 17.817 1.074 -14.795 1.00 0.00 N
252
+ ATOM 251 CA GLU A 31 18.212 0.497 -13.513 1.00 0.00 C
253
+ ATOM 252 C GLU A 31 17.141 0.728 -12.450 1.00 0.00 C
254
+ ATOM 253 CB GLU A 31 19.548 1.083 -13.048 1.00 0.00 C
255
+ ATOM 254 O GLU A 31 16.614 1.835 -12.323 1.00 0.00 O
256
+ ATOM 255 CG GLU A 31 20.757 0.498 -13.764 1.00 0.00 C
257
+ ATOM 256 CD GLU A 31 22.082 0.933 -13.157 1.00 0.00 C
258
+ ATOM 257 OE1 GLU A 31 22.076 1.752 -12.209 1.00 0.00 O
259
+ ATOM 258 OE2 GLU A 31 23.134 0.451 -13.632 1.00 0.00 O
260
+ ATOM 259 N GLY A 32 16.588 -0.442 -11.989 1.00 0.00 N
261
+ ATOM 260 CA GLY A 32 15.793 -0.573 -10.778 1.00 0.00 C
262
+ ATOM 261 C GLY A 32 14.300 -0.601 -11.044 1.00 0.00 C
263
+ ATOM 262 O GLY A 32 13.869 -0.895 -12.161 1.00 0.00 O
264
+ ATOM 263 N ASP A 33 13.467 -0.709 -9.961 1.00 0.00 N
265
+ ATOM 264 CA ASP A 33 12.018 -0.877 -9.978 1.00 0.00 C
266
+ ATOM 265 C ASP A 33 11.314 0.452 -10.248 1.00 0.00 C
267
+ ATOM 266 CB ASP A 33 11.530 -1.472 -8.655 1.00 0.00 C
268
+ ATOM 267 O ASP A 33 10.089 0.496 -10.381 1.00 0.00 O
269
+ ATOM 268 CG ASP A 33 11.965 -2.912 -8.456 1.00 0.00 C
270
+ ATOM 269 OD1 ASP A 33 12.186 -3.626 -9.458 1.00 0.00 O
271
+ ATOM 270 OD2 ASP A 33 12.085 -3.339 -7.287 1.00 0.00 O
272
+ ATOM 271 N TRP A 34 12.088 1.536 -10.350 1.00 0.00 N
273
+ ATOM 272 CA TRP A 34 11.505 2.855 -10.574 1.00 0.00 C
274
+ ATOM 273 C TRP A 34 11.967 3.435 -11.906 1.00 0.00 C
275
+ ATOM 274 CB TRP A 34 11.874 3.807 -9.432 1.00 0.00 C
276
+ ATOM 275 O TRP A 34 13.169 3.518 -12.171 1.00 0.00 O
277
+ ATOM 276 CG TRP A 34 11.317 3.405 -8.100 1.00 0.00 C
278
+ ATOM 277 CD1 TRP A 34 11.827 2.471 -7.242 1.00 0.00 C
279
+ ATOM 278 CD2 TRP A 34 10.138 3.922 -7.476 1.00 0.00 C
280
+ ATOM 279 CE2 TRP A 34 9.994 3.256 -6.238 1.00 0.00 C
281
+ ATOM 280 CE3 TRP A 34 9.190 4.886 -7.841 1.00 0.00 C
282
+ ATOM 281 NE1 TRP A 34 11.036 2.377 -6.119 1.00 0.00 N
283
+ ATOM 282 CH2 TRP A 34 8.024 4.472 -5.747 1.00 0.00 C
284
+ ATOM 283 CZ2 TRP A 34 8.938 3.525 -5.364 1.00 0.00 C
285
+ ATOM 284 CZ3 TRP A 34 8.140 5.152 -6.971 1.00 0.00 C
286
+ ATOM 285 N TRP A 35 11.111 3.760 -12.627 1.00 0.00 N
287
+ ATOM 286 CA TRP A 35 11.382 4.236 -13.980 1.00 0.00 C
288
+ ATOM 287 C TRP A 35 11.062 5.721 -14.109 1.00 0.00 C
289
+ ATOM 288 CB TRP A 35 10.572 3.436 -15.004 1.00 0.00 C
290
+ ATOM 289 O TRP A 35 10.135 6.221 -13.466 1.00 0.00 O
291
+ ATOM 290 CG TRP A 35 11.030 2.017 -15.168 1.00 0.00 C
292
+ ATOM 291 CD1 TRP A 35 12.102 1.422 -14.563 1.00 0.00 C
293
+ ATOM 292 CD2 TRP A 35 10.430 1.017 -15.996 1.00 0.00 C
294
+ ATOM 293 CE2 TRP A 35 11.191 -0.164 -15.843 1.00 0.00 C
295
+ ATOM 294 CE3 TRP A 35 9.321 1.002 -16.853 1.00 0.00 C
296
+ ATOM 295 NE1 TRP A 35 12.204 0.110 -14.964 1.00 0.00 N
297
+ ATOM 296 CH2 TRP A 35 9.788 -1.333 -17.349 1.00 0.00 C
298
+ ATOM 297 CZ2 TRP A 35 10.877 -1.347 -16.516 1.00 0.00 C
299
+ ATOM 298 CZ3 TRP A 35 9.011 -0.175 -17.522 1.00 0.00 C
300
+ ATOM 299 N LEU A 36 11.876 6.427 -14.815 1.00 0.00 N
301
+ ATOM 300 CA LEU A 36 11.539 7.802 -15.166 1.00 0.00 C
302
+ ATOM 301 C LEU A 36 10.526 7.841 -16.305 1.00 0.00 C
303
+ ATOM 302 CB LEU A 36 12.797 8.579 -15.560 1.00 0.00 C
304
+ ATOM 303 O LEU A 36 10.742 7.231 -17.355 1.00 0.00 O
305
+ ATOM 304 CG LEU A 36 12.628 10.085 -15.768 1.00 0.00 C
306
+ ATOM 305 CD1 LEU A 36 12.208 10.756 -14.465 1.00 0.00 C
307
+ ATOM 306 CD2 LEU A 36 13.918 10.700 -16.300 1.00 0.00 C
308
+ ATOM 307 N ALA A 37 9.468 8.604 -16.070 1.00 0.00 N
309
+ ATOM 308 CA ALA A 37 8.361 8.603 -17.023 1.00 0.00 C
310
+ ATOM 309 C ALA A 37 7.850 10.018 -17.271 1.00 0.00 C
311
+ ATOM 310 CB ALA A 37 7.229 7.711 -16.522 1.00 0.00 C
312
+ ATOM 311 O ALA A 37 8.045 10.910 -16.441 1.00 0.00 O
313
+ ATOM 312 N HIS A 38 7.278 10.242 -18.411 1.00 0.00 N
314
+ ATOM 313 CA HIS A 38 6.571 11.454 -18.808 1.00 0.00 C
315
+ ATOM 314 C HIS A 38 5.101 11.165 -19.097 1.00 0.00 C
316
+ ATOM 315 CB HIS A 38 7.233 12.084 -20.034 1.00 0.00 C
317
+ ATOM 316 O HIS A 38 4.785 10.331 -19.949 1.00 0.00 O
318
+ ATOM 317 CG HIS A 38 6.603 13.372 -20.462 1.00 0.00 C
319
+ ATOM 318 CD2 HIS A 38 5.736 13.647 -21.463 1.00 0.00 C
320
+ ATOM 319 ND1 HIS A 38 6.853 14.568 -19.827 1.00 0.00 N
321
+ ATOM 320 CE1 HIS A 38 6.163 15.528 -20.421 1.00 0.00 C
322
+ ATOM 321 NE2 HIS A 38 5.477 14.995 -21.417 1.00 0.00 N
323
+ ATOM 322 N SER A 39 4.112 11.849 -18.307 1.00 0.00 N
324
+ ATOM 323 CA SER A 39 2.677 11.700 -18.530 1.00 0.00 C
325
+ ATOM 324 C SER A 39 2.227 12.465 -19.770 1.00 0.00 C
326
+ ATOM 325 CB SER A 39 1.892 12.184 -17.310 1.00 0.00 C
327
+ ATOM 326 O SER A 39 2.424 13.678 -19.864 1.00 0.00 O
328
+ ATOM 327 OG SER A 39 0.510 12.280 -17.607 1.00 0.00 O
329
+ ATOM 328 N LEU A 40 1.678 11.784 -20.662 1.00 0.00 N
330
+ ATOM 329 CA LEU A 40 1.105 12.435 -21.834 1.00 0.00 C
331
+ ATOM 330 C LEU A 40 -0.194 13.150 -21.479 1.00 0.00 C
332
+ ATOM 331 CB LEU A 40 0.852 11.414 -22.946 1.00 0.00 C
333
+ ATOM 332 O LEU A 40 -0.716 13.931 -22.277 1.00 0.00 O
334
+ ATOM 333 CG LEU A 40 2.074 10.646 -23.454 1.00 0.00 C
335
+ ATOM 334 CD1 LEU A 40 1.650 9.571 -24.447 1.00 0.00 C
336
+ ATOM 335 CD2 LEU A 40 3.079 11.602 -24.089 1.00 0.00 C
337
+ ATOM 336 N THR A 41 -0.835 12.892 -20.309 1.00 0.00 N
338
+ ATOM 337 CA THR A 41 -2.082 13.493 -19.851 1.00 0.00 C
339
+ ATOM 338 C THR A 41 -1.811 14.776 -19.070 1.00 0.00 C
340
+ ATOM 339 CB THR A 41 -2.885 12.515 -18.973 1.00 0.00 C
341
+ ATOM 340 O THR A 41 -2.399 15.820 -19.356 1.00 0.00 O
342
+ ATOM 341 CG2 THR A 41 -4.228 13.113 -18.569 1.00 0.00 C
343
+ ATOM 342 OG1 THR A 41 -3.115 11.304 -19.705 1.00 0.00 O
344
+ ATOM 343 N THR A 42 -0.881 14.726 -18.125 1.00 0.00 N
345
+ ATOM 344 CA THR A 42 -0.682 15.867 -17.240 1.00 0.00 C
346
+ ATOM 345 C THR A 42 0.541 16.675 -17.665 1.00 0.00 C
347
+ ATOM 346 CB THR A 42 -0.520 15.418 -15.775 1.00 0.00 C
348
+ ATOM 347 O THR A 42 0.713 17.820 -17.241 1.00 0.00 O
349
+ ATOM 348 CG2 THR A 42 -1.694 14.550 -15.334 1.00 0.00 C
350
+ ATOM 349 OG1 THR A 42 0.692 14.666 -15.644 1.00 0.00 O
351
+ ATOM 350 N GLY A 43 1.480 16.049 -18.525 1.00 0.00 N
352
+ ATOM 351 CA GLY A 43 2.693 16.734 -18.944 1.00 0.00 C
353
+ ATOM 352 C GLY A 43 3.797 16.681 -17.907 1.00 0.00 C
354
+ ATOM 353 O GLY A 43 4.846 17.305 -18.076 1.00 0.00 O
355
+ ATOM 354 N GLN A 44 3.623 16.097 -16.815 1.00 0.00 N
356
+ ATOM 355 CA GLN A 44 4.608 16.053 -15.740 1.00 0.00 C
357
+ ATOM 356 C GLN A 44 5.557 14.870 -15.912 1.00 0.00 C
358
+ ATOM 357 CB GLN A 44 3.915 15.976 -14.379 1.00 0.00 C
359
+ ATOM 358 O GLN A 44 5.168 13.826 -16.437 1.00 0.00 O
360
+ ATOM 359 CG GLN A 44 3.103 17.216 -14.030 1.00 0.00 C
361
+ ATOM 360 CD GLN A 44 2.465 17.133 -12.657 1.00 0.00 C
362
+ ATOM 361 NE2 GLN A 44 2.193 18.288 -12.058 1.00 0.00 N
363
+ ATOM 362 OE1 GLN A 44 2.217 16.040 -12.138 1.00 0.00 O
364
+ ATOM 363 N THR A 45 6.761 15.011 -15.473 1.00 0.00 N
365
+ ATOM 364 CA THR A 45 7.795 13.982 -15.493 1.00 0.00 C
366
+ ATOM 365 C THR A 45 8.202 13.597 -14.074 1.00 0.00 C
367
+ ATOM 366 CB THR A 45 9.034 14.450 -16.277 1.00 0.00 C
368
+ ATOM 367 O THR A 45 8.276 14.453 -13.190 1.00 0.00 O
369
+ ATOM 368 CG2 THR A 45 10.123 13.383 -16.274 1.00 0.00 C
370
+ ATOM 369 OG1 THR A 45 8.658 14.728 -17.632 1.00 0.00 O
371
+ ATOM 370 N GLY A 46 8.436 12.394 -13.829 1.00 0.00 N
372
+ ATOM 371 CA GLY A 46 8.941 11.890 -12.563 1.00 0.00 C
373
+ ATOM 372 C GLY A 46 9.080 10.379 -12.534 1.00 0.00 C
374
+ ATOM 373 O GLY A 46 8.807 9.707 -13.530 1.00 0.00 O
375
+ ATOM 374 N TYR A 47 9.423 9.765 -11.464 1.00 0.00 N
376
+ ATOM 375 CA TYR A 47 9.634 8.330 -11.305 1.00 0.00 C
377
+ ATOM 376 C TYR A 47 8.323 7.616 -11.002 1.00 0.00 C
378
+ ATOM 377 CB TYR A 47 10.647 8.057 -10.190 1.00 0.00 C
379
+ ATOM 378 O TYR A 47 7.478 8.140 -10.272 1.00 0.00 O
380
+ ATOM 379 CG TYR A 47 12.073 8.374 -10.574 1.00 0.00 C
381
+ ATOM 380 CD1 TYR A 47 12.834 7.470 -11.311 1.00 0.00 C
382
+ ATOM 381 CD2 TYR A 47 12.661 9.577 -10.198 1.00 0.00 C
383
+ ATOM 382 CE1 TYR A 47 14.148 7.758 -11.666 1.00 0.00 C
384
+ ATOM 383 CE2 TYR A 47 13.975 9.875 -10.546 1.00 0.00 C
385
+ ATOM 384 OH TYR A 47 16.010 9.250 -11.627 1.00 0.00 O
386
+ ATOM 385 CZ TYR A 47 14.708 8.961 -11.279 1.00 0.00 C
387
+ ATOM 386 N ILE A 48 8.227 6.465 -11.420 1.00 0.00 N
388
+ ATOM 387 CA ILE A 48 7.056 5.621 -11.207 1.00 0.00 C
389
+ ATOM 388 C ILE A 48 7.498 4.197 -10.884 1.00 0.00 C
390
+ ATOM 389 CB ILE A 48 6.125 5.627 -12.441 1.00 0.00 C
391
+ ATOM 390 O ILE A 48 8.565 3.756 -11.319 1.00 0.00 O
392
+ ATOM 391 CG1 ILE A 48 6.852 5.051 -13.662 1.00 0.00 C
393
+ ATOM 392 CG2 ILE A 48 5.614 7.042 -12.725 1.00 0.00 C
394
+ ATOM 393 CD1 ILE A 48 5.937 4.747 -14.840 1.00 0.00 C
395
+ ATOM 394 N PRO A 49 6.727 3.534 -10.058 1.00 0.00 N
396
+ ATOM 395 CA PRO A 49 7.004 2.102 -9.923 1.00 0.00 C
397
+ ATOM 396 C PRO A 49 6.748 1.328 -11.215 1.00 0.00 C
398
+ ATOM 397 CB PRO A 49 6.040 1.657 -8.821 1.00 0.00 C
399
+ ATOM 398 O PRO A 49 5.660 1.423 -11.790 1.00 0.00 O
400
+ ATOM 399 CG PRO A 49 5.056 2.775 -8.699 1.00 0.00 C
401
+ ATOM 400 CD PRO A 49 5.549 3.935 -9.516 1.00 0.00 C
402
+ ATOM 401 N SER A 50 7.605 0.541 -11.666 1.00 0.00 N
403
+ ATOM 402 CA SER A 50 7.554 -0.092 -12.980 1.00 0.00 C
404
+ ATOM 403 C SER A 50 6.410 -1.095 -13.067 1.00 0.00 C
405
+ ATOM 404 CB SER A 50 8.880 -0.789 -13.291 1.00 0.00 C
406
+ ATOM 405 O SER A 50 5.902 -1.373 -14.155 1.00 0.00 O
407
+ ATOM 406 OG SER A 50 9.143 -1.812 -12.347 1.00 0.00 O
408
+ ATOM 407 N ASN A 51 5.999 -1.695 -11.881 1.00 0.00 N
409
+ ATOM 408 CA ASN A 51 4.948 -2.706 -11.896 1.00 0.00 C
410
+ ATOM 409 C ASN A 51 3.560 -2.072 -11.905 1.00 0.00 C
411
+ ATOM 410 CB ASN A 51 5.093 -3.649 -10.700 1.00 0.00 C
412
+ ATOM 411 O ASN A 51 2.551 -2.774 -11.819 1.00 0.00 O
413
+ ATOM 412 CG ASN A 51 4.988 -2.927 -9.371 1.00 0.00 C
414
+ ATOM 413 ND2 ASN A 51 4.747 -3.681 -8.304 1.00 0.00 N
415
+ ATOM 414 OD1 ASN A 51 5.119 -1.703 -9.304 1.00 0.00 O
416
+ ATOM 415 N TYR A 52 3.391 -0.785 -11.987 1.00 0.00 N
417
+ ATOM 416 CA TYR A 52 2.102 -0.104 -12.032 1.00 0.00 C
418
+ ATOM 417 C TYR A 52 1.698 0.206 -13.469 1.00 0.00 C
419
+ ATOM 418 CB TYR A 52 2.147 1.189 -11.213 1.00 0.00 C
420
+ ATOM 419 O TYR A 52 0.664 0.834 -13.708 1.00 0.00 O
421
+ ATOM 420 CG TYR A 52 1.864 0.986 -9.744 1.00 0.00 C
422
+ ATOM 421 CD1 TYR A 52 1.895 -0.286 -9.177 1.00 0.00 C
423
+ ATOM 422 CD2 TYR A 52 1.564 2.066 -8.920 1.00 0.00 C
424
+ ATOM 423 CE1 TYR A 52 1.634 -0.478 -7.825 1.00 0.00 C
425
+ ATOM 424 CE2 TYR A 52 1.300 1.886 -7.565 1.00 0.00 C
426
+ ATOM 425 OH TYR A 52 1.078 0.429 -5.688 1.00 0.00 O
427
+ ATOM 426 CZ TYR A 52 1.338 0.612 -7.028 1.00 0.00 C
428
+ ATOM 427 N VAL A 53 2.604 -0.216 -14.474 1.00 0.00 N
429
+ ATOM 428 CA VAL A 53 2.299 0.153 -15.853 1.00 0.00 C
430
+ ATOM 429 C VAL A 53 2.430 -1.072 -16.756 1.00 0.00 C
431
+ ATOM 430 CB VAL A 53 3.223 1.286 -16.355 1.00 0.00 C
432
+ ATOM 431 O VAL A 53 3.114 -2.038 -16.408 1.00 0.00 O
433
+ ATOM 432 CG1 VAL A 53 3.030 2.550 -15.518 1.00 0.00 C
434
+ ATOM 433 CG2 VAL A 53 4.682 0.837 -16.322 1.00 0.00 C
435
+ ATOM 434 N ALA A 54 1.742 -1.065 -17.812 1.00 0.00 N
436
+ ATOM 435 CA ALA A 54 1.792 -2.092 -18.850 1.00 0.00 C
437
+ ATOM 436 C ALA A 54 1.901 -1.466 -20.237 1.00 0.00 C
438
+ ATOM 437 CB ALA A 54 0.560 -2.990 -18.770 1.00 0.00 C
439
+ ATOM 438 O ALA A 54 1.463 -0.333 -20.449 1.00 0.00 O
440
+ ATOM 439 N PRO A 55 2.641 -2.123 -21.253 1.00 0.00 N
441
+ ATOM 440 CA PRO A 55 2.662 -1.617 -22.627 1.00 0.00 C
442
+ ATOM 441 C PRO A 55 1.266 -1.511 -23.237 1.00 0.00 C
443
+ ATOM 442 CB PRO A 55 3.506 -2.654 -23.372 1.00 0.00 C
444
+ ATOM 443 O PRO A 55 0.394 -2.333 -22.941 1.00 0.00 O
445
+ ATOM 444 CG PRO A 55 4.206 -3.420 -22.296 1.00 0.00 C
446
+ ATOM 445 CD PRO A 55 3.379 -3.349 -21.044 1.00 0.00 C
447
+ ATOM 446 N SER A 56 0.990 -0.527 -23.916 1.00 0.00 N
448
+ ATOM 447 CA SER A 56 -0.272 -0.395 -24.637 1.00 0.00 C
449
+ ATOM 448 C SER A 56 -0.123 -0.823 -26.093 1.00 0.00 C
450
+ ATOM 449 CB SER A 56 -0.780 1.046 -24.571 1.00 0.00 C
451
+ ATOM 450 O SER A 56 0.936 -0.637 -26.695 1.00 0.00 O
452
+ ATOM 451 OG SER A 56 -0.007 1.891 -25.406 1.00 0.00 O
453
+ ATOM 452 OXT SER A 56 -1.264 -1.221 -26.026 1.00 0.00 O
454
+ TER 453 SER A 56
455
+ END
1rlp/1rlp_protein_processed_fix.pdb ADDED
@@ -0,0 +1,877 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N THR A 1 5.511 1.730 -25.743 1.00 0.00 N
3
+ ATOM 2 CA THR A 1 4.138 2.081 -25.282 1.00 0.00 C
4
+ ATOM 3 C THR A 1 3.910 1.518 -23.878 1.00 0.00 C
5
+ ATOM 4 O THR A 1 3.854 0.320 -23.680 1.00 0.00 O
6
+ ATOM 5 CB THR A 1 3.109 1.484 -26.246 1.00 0.00 C
7
+ ATOM 6 OG1 THR A 1 3.785 0.804 -27.294 1.00 0.00 O
8
+ ATOM 7 CG2 THR A 1 2.248 2.603 -26.833 1.00 0.00 C
9
+ ATOM 8 HA THR A 1 4.041 3.046 -25.261 1.00 0.00 H
10
+ ATOM 9 HB THR A 1 2.541 0.860 -25.768 1.00 0.00 H
11
+ ATOM 10 HG1 THR A 1 4.582 0.665 -27.070 1.00 0.00 H
12
+ ATOM 11 HG21 THR A 1 1.597 2.224 -27.444 1.00 0.00 H
13
+ ATOM 12 HG22 THR A 1 1.787 3.067 -26.116 1.00 0.00 H
14
+ ATOM 13 HG23 THR A 1 2.813 3.229 -27.312 1.00 0.00 H
15
+ ATOM 14 N PHE A 2 3.778 2.373 -22.900 1.00 0.00 N
16
+ ATOM 15 CA PHE A 2 3.554 1.886 -21.509 1.00 0.00 C
17
+ ATOM 16 C PHE A 2 2.264 2.497 -20.956 1.00 0.00 C
18
+ ATOM 17 O PHE A 2 2.024 3.682 -21.077 1.00 0.00 O
19
+ ATOM 18 CB PHE A 2 4.734 2.300 -20.628 1.00 0.00 C
20
+ ATOM 19 CG PHE A 2 5.828 1.233 -20.705 1.00 0.00 C
21
+ ATOM 20 CD1 PHE A 2 6.494 0.996 -21.893 1.00 0.00 C
22
+ ATOM 21 CD2 PHE A 2 6.166 0.492 -19.586 1.00 0.00 C
23
+ ATOM 22 CE1 PHE A 2 7.482 0.034 -21.962 1.00 0.00 C
24
+ ATOM 23 CE2 PHE A 2 7.153 -0.469 -19.656 1.00 0.00 C
25
+ ATOM 24 CZ PHE A 2 7.811 -0.699 -20.843 1.00 0.00 C
26
+ ATOM 25 H PHE A 2 3.810 3.228 -22.988 1.00 0.00 H
27
+ ATOM 26 HA PHE A 2 3.477 0.919 -21.513 1.00 0.00 H
28
+ ATOM 27 HB2 PHE A 2 5.083 3.157 -20.920 1.00 0.00 H
29
+ ATOM 28 HB3 PHE A 2 4.441 2.411 -19.710 1.00 0.00 H
30
+ ATOM 29 HD1 PHE A 2 6.275 1.488 -22.651 1.00 0.00 H
31
+ ATOM 30 HD2 PHE A 2 5.725 0.643 -18.781 1.00 0.00 H
32
+ ATOM 31 HE1 PHE A 2 7.926 -0.119 -22.765 1.00 0.00 H
33
+ ATOM 32 HE2 PHE A 2 7.374 -0.963 -18.900 1.00 0.00 H
34
+ ATOM 33 HZ PHE A 2 8.476 -1.348 -20.889 1.00 0.00 H
35
+ ATOM 34 N VAL A 3 1.433 1.696 -20.345 1.00 0.00 N
36
+ ATOM 35 CA VAL A 3 0.158 2.227 -19.783 1.00 0.00 C
37
+ ATOM 36 C VAL A 3 0.197 2.132 -18.256 1.00 0.00 C
38
+ ATOM 37 O VAL A 3 0.626 1.143 -17.697 1.00 0.00 O
39
+ ATOM 38 CB VAL A 3 -1.016 1.403 -20.314 1.00 0.00 C
40
+ ATOM 39 CG1 VAL A 3 -2.303 1.833 -19.606 1.00 0.00 C
41
+ ATOM 40 CG2 VAL A 3 -1.161 1.633 -21.820 1.00 0.00 C
42
+ ATOM 41 H VAL A 3 1.559 0.853 -20.232 1.00 0.00 H
43
+ ATOM 42 HA VAL A 3 0.049 3.154 -20.048 1.00 0.00 H
44
+ ATOM 43 HB VAL A 3 -0.853 0.462 -20.145 1.00 0.00 H
45
+ ATOM 44 HG11 VAL A 3 -3.048 1.311 -19.943 1.00 0.00 H
46
+ ATOM 45 HG12 VAL A 3 -2.212 1.687 -18.651 1.00 0.00 H
47
+ ATOM 46 HG13 VAL A 3 -2.466 2.774 -19.775 1.00 0.00 H
48
+ ATOM 47 HG21 VAL A 3 -1.905 1.111 -22.157 1.00 0.00 H
49
+ ATOM 48 HG22 VAL A 3 -1.324 2.574 -21.990 1.00 0.00 H
50
+ ATOM 49 HG23 VAL A 3 -0.346 1.360 -22.269 1.00 0.00 H
51
+ ATOM 50 N ALA A 4 -0.249 3.154 -17.578 1.00 0.00 N
52
+ ATOM 51 CA ALA A 4 -0.237 3.122 -16.088 1.00 0.00 C
53
+ ATOM 52 C ALA A 4 -1.424 2.299 -15.582 1.00 0.00 C
54
+ ATOM 53 O ALA A 4 -2.540 2.774 -15.522 1.00 0.00 O
55
+ ATOM 54 CB ALA A 4 -0.340 4.550 -15.549 1.00 0.00 C
56
+ ATOM 55 H ALA A 4 -0.563 3.875 -17.926 1.00 0.00 H
57
+ ATOM 56 HA ALA A 4 0.589 2.717 -15.780 1.00 0.00 H
58
+ ATOM 57 HB1 ALA A 4 -0.332 4.531 -14.579 1.00 0.00 H
59
+ ATOM 58 HB2 ALA A 4 0.413 5.072 -15.868 1.00 0.00 H
60
+ ATOM 59 HB3 ALA A 4 -1.166 4.954 -15.858 1.00 0.00 H
61
+ ATOM 60 N LEU A 5 -1.191 1.067 -15.217 1.00 0.00 N
62
+ ATOM 61 CA LEU A 5 -2.306 0.215 -14.716 1.00 0.00 C
63
+ ATOM 62 C LEU A 5 -2.852 0.788 -13.409 1.00 0.00 C
64
+ ATOM 63 O LEU A 5 -3.989 1.208 -13.331 1.00 0.00 O
65
+ ATOM 64 CB LEU A 5 -1.799 -1.203 -14.451 1.00 0.00 C
66
+ ATOM 65 CG LEU A 5 -1.147 -1.766 -15.715 1.00 0.00 C
67
+ ATOM 66 CD1 LEU A 5 -0.755 -3.224 -15.470 1.00 0.00 C
68
+ ATOM 67 CD2 LEU A 5 -2.139 -1.691 -16.877 1.00 0.00 C
69
+ ATOM 68 H LEU A 5 -0.421 0.686 -15.240 1.00 0.00 H
70
+ ATOM 69 HA LEU A 5 -3.006 0.196 -15.387 1.00 0.00 H
71
+ ATOM 70 HB2 LEU A 5 -1.158 -1.195 -13.723 1.00 0.00 H
72
+ ATOM 71 HB3 LEU A 5 -2.535 -1.772 -14.176 1.00 0.00 H
73
+ ATOM 72 HG LEU A 5 -0.357 -1.248 -15.934 1.00 0.00 H
74
+ ATOM 73 HD11 LEU A 5 -0.341 -3.587 -16.269 1.00 0.00 H
75
+ ATOM 74 HD12 LEU A 5 -0.128 -3.271 -14.731 1.00 0.00 H
76
+ ATOM 75 HD13 LEU A 5 -1.547 -3.740 -15.254 1.00 0.00 H
77
+ ATOM 76 HD21 LEU A 5 -1.726 -2.048 -17.679 1.00 0.00 H
78
+ ATOM 77 HD22 LEU A 5 -2.929 -2.211 -16.662 1.00 0.00 H
79
+ ATOM 78 HD23 LEU A 5 -2.392 -0.767 -17.028 1.00 0.00 H
80
+ ATOM 79 N TYR A 6 -2.050 0.810 -12.379 1.00 0.00 N
81
+ ATOM 80 CA TYR A 6 -2.531 1.354 -11.078 1.00 0.00 C
82
+ ATOM 81 C TYR A 6 -2.071 2.803 -10.917 1.00 0.00 C
83
+ ATOM 82 O TYR A 6 -1.009 3.183 -11.367 1.00 0.00 O
84
+ ATOM 83 CB TYR A 6 -1.966 0.517 -9.923 1.00 0.00 C
85
+ ATOM 84 CG TYR A 6 -1.941 -0.971 -10.298 1.00 0.00 C
86
+ ATOM 85 CD1 TYR A 6 -2.748 -1.468 -11.303 1.00 0.00 C
87
+ ATOM 86 CD2 TYR A 6 -1.098 -1.838 -9.632 1.00 0.00 C
88
+ ATOM 87 CE1 TYR A 6 -2.710 -2.805 -11.638 1.00 0.00 C
89
+ ATOM 88 CE2 TYR A 6 -1.062 -3.176 -9.966 1.00 0.00 C
90
+ ATOM 89 CZ TYR A 6 -1.867 -3.670 -10.972 1.00 0.00 C
91
+ ATOM 90 OH TYR A 6 -1.829 -5.009 -11.307 1.00 0.00 O
92
+ ATOM 91 H TYR A 6 -1.237 0.528 -12.382 1.00 0.00 H
93
+ ATOM 92 HA TYR A 6 -3.500 1.318 -11.063 1.00 0.00 H
94
+ ATOM 93 HB2 TYR A 6 -1.069 0.817 -9.708 1.00 0.00 H
95
+ ATOM 94 HB3 TYR A 6 -2.507 0.647 -9.128 1.00 0.00 H
96
+ ATOM 95 HD1 TYR A 6 -3.322 -0.895 -11.758 1.00 0.00 H
97
+ ATOM 96 HD2 TYR A 6 -0.550 -1.517 -8.953 1.00 0.00 H
98
+ ATOM 97 HE1 TYR A 6 -3.257 -3.126 -12.318 1.00 0.00 H
99
+ ATOM 98 HE2 TYR A 6 -0.490 -3.750 -9.509 1.00 0.00 H
100
+ ATOM 99 HH TYR A 6 -1.243 -5.397 -10.847 1.00 0.00 H
101
+ ATOM 100 N ASP A 7 -2.866 3.615 -10.275 1.00 0.00 N
102
+ ATOM 101 CA ASP A 7 -2.482 5.037 -10.080 1.00 0.00 C
103
+ ATOM 102 C ASP A 7 -1.280 5.104 -9.138 1.00 0.00 C
104
+ ATOM 103 O ASP A 7 -1.212 4.396 -8.154 1.00 0.00 O
105
+ ATOM 104 CB ASP A 7 -3.657 5.798 -9.466 1.00 0.00 C
106
+ ATOM 105 CG ASP A 7 -4.315 4.938 -8.384 1.00 0.00 C
107
+ ATOM 106 OD1 ASP A 7 -3.657 4.038 -7.888 1.00 0.00 O
108
+ ATOM 107 OD2 ASP A 7 -5.465 5.194 -8.069 1.00 0.00 O
109
+ ATOM 108 H ASP A 7 -3.626 3.393 -9.939 1.00 0.00 H
110
+ ATOM 109 HA ASP A 7 -2.250 5.437 -10.933 1.00 0.00 H
111
+ ATOM 110 HB2 ASP A 7 -3.349 6.635 -9.084 1.00 0.00 H
112
+ ATOM 111 HB3 ASP A 7 -4.304 6.021 -10.153 1.00 0.00 H
113
+ ATOM 112 N TYR A 8 -0.332 5.950 -9.428 1.00 0.00 N
114
+ ATOM 113 CA TYR A 8 0.864 6.059 -8.547 1.00 0.00 C
115
+ ATOM 114 C TYR A 8 0.767 7.332 -7.707 1.00 0.00 C
116
+ ATOM 115 O TYR A 8 0.765 8.431 -8.227 1.00 0.00 O
117
+ ATOM 116 CB TYR A 8 2.123 6.105 -9.413 1.00 0.00 C
118
+ ATOM 117 CG TYR A 8 3.353 6.344 -8.537 1.00 0.00 C
119
+ ATOM 118 CD1 TYR A 8 3.424 5.815 -7.265 1.00 0.00 C
120
+ ATOM 119 CD2 TYR A 8 4.417 7.081 -9.016 1.00 0.00 C
121
+ ATOM 120 CE1 TYR A 8 4.544 6.018 -6.485 1.00 0.00 C
122
+ ATOM 121 CE2 TYR A 8 5.536 7.283 -8.236 1.00 0.00 C
123
+ ATOM 122 CZ TYR A 8 5.609 6.753 -6.965 1.00 0.00 C
124
+ ATOM 123 OH TYR A 8 6.730 6.954 -6.186 1.00 0.00 O
125
+ ATOM 124 H TYR A 8 -0.333 6.474 -10.110 1.00 0.00 H
126
+ ATOM 125 HA TYR A 8 0.906 5.291 -7.956 1.00 0.00 H
127
+ ATOM 126 HB2 TYR A 8 2.220 5.272 -9.900 1.00 0.00 H
128
+ ATOM 127 HB3 TYR A 8 2.045 6.811 -10.073 1.00 0.00 H
129
+ ATOM 128 HD1 TYR A 8 2.712 5.318 -6.931 1.00 0.00 H
130
+ ATOM 129 HD2 TYR A 8 4.379 7.444 -9.871 1.00 0.00 H
131
+ ATOM 130 HE1 TYR A 8 4.582 5.657 -5.629 1.00 0.00 H
132
+ ATOM 131 HE2 TYR A 8 6.247 7.781 -8.570 1.00 0.00 H
133
+ ATOM 132 HH TYR A 8 7.338 6.428 -6.429 1.00 0.00 H
134
+ ATOM 133 N GLU A 9 0.682 7.190 -6.412 1.00 0.00 N
135
+ ATOM 134 CA GLU A 9 0.584 8.387 -5.530 1.00 0.00 C
136
+ ATOM 135 C GLU A 9 1.664 8.312 -4.450 1.00 0.00 C
137
+ ATOM 136 O GLU A 9 1.383 8.071 -3.292 1.00 0.00 O
138
+ ATOM 137 CB GLU A 9 -0.796 8.424 -4.870 1.00 0.00 C
139
+ ATOM 138 CG GLU A 9 -1.007 7.146 -4.056 1.00 0.00 C
140
+ ATOM 139 CD GLU A 9 -2.506 6.880 -3.904 1.00 0.00 C
141
+ ATOM 140 OE1 GLU A 9 -3.278 7.569 -4.550 1.00 0.00 O
142
+ ATOM 141 OE2 GLU A 9 -2.856 5.992 -3.143 1.00 0.00 O
143
+ ATOM 142 H GLU A 9 0.677 6.434 -6.002 1.00 0.00 H
144
+ ATOM 143 HA GLU A 9 0.710 9.190 -6.059 1.00 0.00 H
145
+ ATOM 144 HB2 GLU A 9 -0.869 9.201 -4.294 1.00 0.00 H
146
+ ATOM 145 HB3 GLU A 9 -1.487 8.506 -5.546 1.00 0.00 H
147
+ ATOM 146 HG2 GLU A 9 -0.579 6.396 -4.497 1.00 0.00 H
148
+ ATOM 147 HG3 GLU A 9 -0.594 7.235 -3.183 1.00 0.00 H
149
+ ATOM 148 N SER A 10 2.899 8.515 -4.819 1.00 0.00 N
150
+ ATOM 149 CA SER A 10 3.997 8.456 -3.814 1.00 0.00 C
151
+ ATOM 150 C SER A 10 3.775 9.531 -2.750 1.00 0.00 C
152
+ ATOM 151 O SER A 10 2.745 10.175 -2.709 1.00 0.00 O
153
+ ATOM 152 CB SER A 10 5.338 8.699 -4.508 1.00 0.00 C
154
+ ATOM 153 OG SER A 10 6.290 7.754 -4.043 1.00 0.00 O
155
+ ATOM 154 H SER A 10 3.149 8.687 -5.624 1.00 0.00 H
156
+ ATOM 155 HA SER A 10 4.002 7.581 -3.395 1.00 0.00 H
157
+ ATOM 156 HB2 SER A 10 5.234 8.622 -5.469 1.00 0.00 H
158
+ ATOM 157 HB3 SER A 10 5.648 9.600 -4.328 1.00 0.00 H
159
+ ATOM 158 HG SER A 10 6.404 7.161 -4.627 1.00 0.00 H
160
+ ATOM 159 N ARG A 11 4.734 9.730 -1.889 1.00 0.00 N
161
+ ATOM 160 CA ARG A 11 4.581 10.762 -0.827 1.00 0.00 C
162
+ ATOM 161 C ARG A 11 5.784 11.706 -0.862 1.00 0.00 C
163
+ ATOM 162 O ARG A 11 6.234 12.194 0.156 1.00 0.00 O
164
+ ATOM 163 CB ARG A 11 4.503 10.080 0.541 1.00 0.00 C
165
+ ATOM 164 CG ARG A 11 3.797 8.730 0.398 1.00 0.00 C
166
+ ATOM 165 CD ARG A 11 4.836 7.607 0.409 1.00 0.00 C
167
+ ATOM 166 NE ARG A 11 4.153 6.300 0.631 1.00 0.00 N
168
+ ATOM 167 CZ ARG A 11 4.857 5.212 0.797 1.00 0.00 C
169
+ ATOM 168 NH1 ARG A 11 6.162 5.263 0.769 1.00 0.00 N
170
+ ATOM 169 NH2 ARG A 11 4.254 4.071 0.991 1.00 0.00 N
171
+ ATOM 170 H ARG A 11 5.479 9.301 -1.878 1.00 0.00 H
172
+ ATOM 171 HA ARG A 11 3.768 11.268 -0.980 1.00 0.00 H
173
+ ATOM 172 HB2 ARG A 11 5.395 9.953 0.901 1.00 0.00 H
174
+ ATOM 173 HB3 ARG A 11 4.021 10.643 1.167 1.00 0.00 H
175
+ ATOM 174 HG2 ARG A 11 3.165 8.606 1.123 1.00 0.00 H
176
+ ATOM 175 HG3 ARG A 11 3.289 8.706 -0.428 1.00 0.00 H
177
+ ATOM 176 HD2 ARG A 11 5.319 7.592 -0.432 1.00 0.00 H
178
+ ATOM 177 HD3 ARG A 11 5.489 7.764 1.108 1.00 0.00 H
179
+ ATOM 178 HE ARG A 11 3.294 6.262 0.650 1.00 0.00 H
180
+ ATOM 179 HH11 ARG A 11 6.560 6.014 0.641 1.00 0.00 H
181
+ ATOM 180 HH12 ARG A 11 6.623 4.545 0.879 1.00 0.00 H
182
+ ATOM 181 HH21 ARG A 11 3.395 4.036 1.009 1.00 0.00 H
183
+ ATOM 182 HH22 ARG A 11 4.716 3.354 1.100 1.00 0.00 H
184
+ ATOM 183 N THR A 12 6.310 11.969 -2.028 1.00 0.00 N
185
+ ATOM 184 CA THR A 12 7.484 12.881 -2.130 1.00 0.00 C
186
+ ATOM 185 C THR A 12 7.204 13.960 -3.177 1.00 0.00 C
187
+ ATOM 186 O THR A 12 6.321 13.826 -4.001 1.00 0.00 O
188
+ ATOM 187 CB THR A 12 8.720 12.079 -2.545 1.00 0.00 C
189
+ ATOM 188 OG1 THR A 12 8.653 11.797 -3.936 1.00 0.00 O
190
+ ATOM 189 CG2 THR A 12 8.768 10.769 -1.758 1.00 0.00 C
191
+ ATOM 190 H THR A 12 6.029 11.650 -2.776 1.00 0.00 H
192
+ ATOM 191 HA THR A 12 7.643 13.299 -1.269 1.00 0.00 H
193
+ ATOM 192 HB THR A 12 9.520 12.595 -2.357 1.00 0.00 H
194
+ ATOM 193 HG1 THR A 12 9.325 12.122 -4.321 1.00 0.00 H
195
+ ATOM 194 HG21 THR A 12 9.551 10.261 -2.022 1.00 0.00 H
196
+ ATOM 195 HG22 THR A 12 8.813 10.963 -0.809 1.00 0.00 H
197
+ ATOM 196 HG23 THR A 12 7.970 10.250 -1.944 1.00 0.00 H
198
+ ATOM 197 N GLU A 13 7.949 15.030 -3.152 1.00 0.00 N
199
+ ATOM 198 CA GLU A 13 7.728 16.119 -4.145 1.00 0.00 C
200
+ ATOM 199 C GLU A 13 8.589 15.869 -5.386 1.00 0.00 C
201
+ ATOM 200 O GLU A 13 8.596 16.652 -6.315 1.00 0.00 O
202
+ ATOM 201 CB GLU A 13 8.113 17.461 -3.520 1.00 0.00 C
203
+ ATOM 202 CG GLU A 13 7.182 18.556 -4.044 1.00 0.00 C
204
+ ATOM 203 CD GLU A 13 7.614 19.908 -3.471 1.00 0.00 C
205
+ ATOM 204 OE1 GLU A 13 8.707 19.980 -2.935 1.00 0.00 O
206
+ ATOM 205 OE2 GLU A 13 6.843 20.847 -3.578 1.00 0.00 O
207
+ ATOM 206 H GLU A 13 8.585 15.171 -2.590 1.00 0.00 H
208
+ ATOM 207 HA GLU A 13 6.793 16.135 -4.402 1.00 0.00 H
209
+ ATOM 208 HB2 GLU A 13 8.053 17.407 -2.553 1.00 0.00 H
210
+ ATOM 209 HB3 GLU A 13 9.034 17.676 -3.735 1.00 0.00 H
211
+ ATOM 210 HG2 GLU A 13 7.209 18.581 -5.013 1.00 0.00 H
212
+ ATOM 211 HG3 GLU A 13 6.266 18.364 -3.791 1.00 0.00 H
213
+ ATOM 212 N THR A 14 9.317 14.785 -5.411 1.00 0.00 N
214
+ ATOM 213 CA THR A 14 10.175 14.491 -6.595 1.00 0.00 C
215
+ ATOM 214 C THR A 14 9.396 13.629 -7.592 1.00 0.00 C
216
+ ATOM 215 O THR A 14 8.938 14.106 -8.611 1.00 0.00 O
217
+ ATOM 216 CB THR A 14 11.431 13.744 -6.141 1.00 0.00 C
218
+ ATOM 217 OG1 THR A 14 11.579 13.882 -4.734 1.00 0.00 O
219
+ ATOM 218 CG2 THR A 14 12.657 14.327 -6.845 1.00 0.00 C
220
+ ATOM 219 H THR A 14 9.349 14.200 -4.781 1.00 0.00 H
221
+ ATOM 220 HA THR A 14 10.431 15.323 -7.023 1.00 0.00 H
222
+ ATOM 221 HB THR A 14 11.348 12.804 -6.367 1.00 0.00 H
223
+ ATOM 222 HG1 THR A 14 12.332 13.592 -4.501 1.00 0.00 H
224
+ ATOM 223 HG21 THR A 14 13.452 13.853 -6.556 1.00 0.00 H
225
+ ATOM 224 HG22 THR A 14 12.555 14.232 -7.805 1.00 0.00 H
226
+ ATOM 225 HG23 THR A 14 12.743 15.267 -6.621 1.00 0.00 H
227
+ ATOM 226 N ASP A 15 9.241 12.364 -7.308 1.00 0.00 N
228
+ ATOM 227 CA ASP A 15 8.491 11.479 -8.244 1.00 0.00 C
229
+ ATOM 228 C ASP A 15 7.078 12.030 -8.435 1.00 0.00 C
230
+ ATOM 229 O ASP A 15 6.400 12.368 -7.486 1.00 0.00 O
231
+ ATOM 230 CB ASP A 15 8.410 10.063 -7.664 1.00 0.00 C
232
+ ATOM 231 CG ASP A 15 9.724 9.714 -6.962 1.00 0.00 C
233
+ ATOM 232 OD1 ASP A 15 9.851 10.034 -5.791 1.00 0.00 O
234
+ ATOM 233 OD2 ASP A 15 10.580 9.129 -7.605 1.00 0.00 O
235
+ ATOM 234 H ASP A 15 9.544 11.978 -6.602 1.00 0.00 H
236
+ ATOM 235 HA ASP A 15 8.950 11.450 -9.098 1.00 0.00 H
237
+ ATOM 236 HB2 ASP A 15 7.673 10.003 -7.037 1.00 0.00 H
238
+ ATOM 237 HB3 ASP A 15 8.232 9.424 -8.372 1.00 0.00 H
239
+ ATOM 238 N LEU A 16 6.630 12.124 -9.655 1.00 0.00 N
240
+ ATOM 239 CA LEU A 16 5.263 12.654 -9.903 1.00 0.00 C
241
+ ATOM 240 C LEU A 16 4.240 11.531 -9.740 1.00 0.00 C
242
+ ATOM 241 O LEU A 16 4.582 10.365 -9.702 1.00 0.00 O
243
+ ATOM 242 CB LEU A 16 5.184 13.214 -11.322 1.00 0.00 C
244
+ ATOM 243 CG LEU A 16 5.824 14.601 -11.352 1.00 0.00 C
245
+ ATOM 244 CD1 LEU A 16 7.337 14.469 -11.168 1.00 0.00 C
246
+ ATOM 245 CD2 LEU A 16 5.530 15.263 -12.696 1.00 0.00 C
247
+ ATOM 246 H LEU A 16 7.070 11.899 -10.359 1.00 0.00 H
248
+ ATOM 247 HA LEU A 16 5.070 13.359 -9.265 1.00 0.00 H
249
+ ATOM 248 HB2 LEU A 16 5.640 12.622 -11.941 1.00 0.00 H
250
+ ATOM 249 HB3 LEU A 16 4.259 13.267 -11.609 1.00 0.00 H
251
+ ATOM 250 HG LEU A 16 5.459 15.143 -10.636 1.00 0.00 H
252
+ ATOM 251 HD11 LEU A 16 7.744 15.349 -11.187 1.00 0.00 H
253
+ ATOM 252 HD12 LEU A 16 7.524 14.045 -10.316 1.00 0.00 H
254
+ ATOM 253 HD13 LEU A 16 7.704 13.928 -11.885 1.00 0.00 H
255
+ ATOM 254 HD21 LEU A 16 5.935 16.144 -12.718 1.00 0.00 H
256
+ ATOM 255 HD22 LEU A 16 5.897 14.720 -13.411 1.00 0.00 H
257
+ ATOM 256 HD23 LEU A 16 4.571 15.346 -12.813 1.00 0.00 H
258
+ ATOM 257 N SER A 17 2.987 11.873 -9.644 1.00 0.00 N
259
+ ATOM 258 CA SER A 17 1.940 10.832 -9.482 1.00 0.00 C
260
+ ATOM 259 C SER A 17 1.037 10.815 -10.717 1.00 0.00 C
261
+ ATOM 260 O SER A 17 0.836 11.825 -11.362 1.00 0.00 O
262
+ ATOM 261 CB SER A 17 1.104 11.165 -8.250 1.00 0.00 C
263
+ ATOM 262 OG SER A 17 1.582 12.367 -7.664 1.00 0.00 O
264
+ ATOM 263 H SER A 17 2.697 12.682 -9.667 1.00 0.00 H
265
+ ATOM 264 HA SER A 17 2.355 9.962 -9.378 1.00 0.00 H
266
+ ATOM 265 HB2 SER A 17 0.171 11.263 -8.497 1.00 0.00 H
267
+ ATOM 266 HB3 SER A 17 1.153 10.439 -7.608 1.00 0.00 H
268
+ ATOM 267 HG SER A 17 1.121 12.551 -6.986 1.00 0.00 H
269
+ ATOM 268 N PHE A 18 0.492 9.678 -11.052 1.00 0.00 N
270
+ ATOM 269 CA PHE A 18 -0.398 9.608 -12.246 1.00 0.00 C
271
+ ATOM 270 C PHE A 18 -1.639 8.782 -11.909 1.00 0.00 C
272
+ ATOM 271 O PHE A 18 -1.782 8.276 -10.813 1.00 0.00 O
273
+ ATOM 272 CB PHE A 18 0.344 8.969 -13.424 1.00 0.00 C
274
+ ATOM 273 CG PHE A 18 1.026 7.673 -12.983 1.00 0.00 C
275
+ ATOM 274 CD1 PHE A 18 0.328 6.482 -12.995 1.00 0.00 C
276
+ ATOM 275 CD2 PHE A 18 2.355 7.671 -12.595 1.00 0.00 C
277
+ ATOM 276 CE1 PHE A 18 0.946 5.304 -12.628 1.00 0.00 C
278
+ ATOM 277 CE2 PHE A 18 2.974 6.492 -12.228 1.00 0.00 C
279
+ ATOM 278 CZ PHE A 18 2.269 5.310 -12.245 1.00 0.00 C
280
+ ATOM 279 H PHE A 18 0.603 8.936 -10.632 1.00 0.00 H
281
+ ATOM 280 HA PHE A 18 -0.664 10.507 -12.495 1.00 0.00 H
282
+ ATOM 281 HB2 PHE A 18 -0.279 8.785 -14.145 1.00 0.00 H
283
+ ATOM 282 HB3 PHE A 18 1.005 9.588 -13.771 1.00 0.00 H
284
+ ATOM 283 HD1 PHE A 18 -0.566 6.473 -13.252 1.00 0.00 H
285
+ ATOM 284 HD2 PHE A 18 2.834 8.468 -12.581 1.00 0.00 H
286
+ ATOM 285 HE1 PHE A 18 0.469 4.506 -12.639 1.00 0.00 H
287
+ ATOM 286 HE2 PHE A 18 3.867 6.497 -11.969 1.00 0.00 H
288
+ ATOM 287 HZ PHE A 18 2.686 4.516 -11.998 1.00 0.00 H
289
+ ATOM 288 N LYS A 19 -2.537 8.639 -12.843 1.00 0.00 N
290
+ ATOM 289 CA LYS A 19 -3.771 7.846 -12.575 1.00 0.00 C
291
+ ATOM 290 C LYS A 19 -3.801 6.607 -13.472 1.00 0.00 C
292
+ ATOM 291 O LYS A 19 -2.901 6.370 -14.253 1.00 0.00 O
293
+ ATOM 292 CB LYS A 19 -5.002 8.709 -12.861 1.00 0.00 C
294
+ ATOM 293 CG LYS A 19 -5.684 9.078 -11.542 1.00 0.00 C
295
+ ATOM 294 CD LYS A 19 -7.022 8.344 -11.438 1.00 0.00 C
296
+ ATOM 295 CE LYS A 19 -8.041 9.004 -12.369 1.00 0.00 C
297
+ ATOM 296 NZ LYS A 19 -9.417 8.765 -11.850 1.00 0.00 N
298
+ ATOM 297 H LYS A 19 -2.481 8.974 -13.633 1.00 0.00 H
299
+ ATOM 298 HA LYS A 19 -3.774 7.567 -11.646 1.00 0.00 H
300
+ ATOM 299 HB2 LYS A 19 -4.742 9.513 -13.338 1.00 0.00 H
301
+ ATOM 300 HB3 LYS A 19 -5.621 8.228 -13.433 1.00 0.00 H
302
+ ATOM 301 HG2 LYS A 19 -5.114 8.840 -10.794 1.00 0.00 H
303
+ ATOM 302 HG3 LYS A 19 -5.825 10.037 -11.497 1.00 0.00 H
304
+ ATOM 303 HD2 LYS A 19 -6.909 7.411 -11.676 1.00 0.00 H
305
+ ATOM 304 HD3 LYS A 19 -7.344 8.366 -10.523 1.00 0.00 H
306
+ ATOM 305 HE2 LYS A 19 -7.869 9.957 -12.429 1.00 0.00 H
307
+ ATOM 306 HE3 LYS A 19 -7.956 8.643 -13.265 1.00 0.00 H
308
+ ATOM 307 HZ1 LYS A 19 -9.966 9.391 -12.165 1.00 0.00 H
309
+ ATOM 308 HZ2 LYS A 19 -9.699 7.963 -12.114 1.00 0.00 H
310
+ ATOM 309 HZ3 LYS A 19 -9.409 8.798 -10.961 1.00 0.00 H
311
+ ATOM 310 N LYS A 20 -4.834 5.816 -13.365 1.00 0.00 N
312
+ ATOM 311 CA LYS A 20 -4.932 4.590 -14.207 1.00 0.00 C
313
+ ATOM 312 C LYS A 20 -5.490 4.960 -15.583 1.00 0.00 C
314
+ ATOM 313 O LYS A 20 -6.526 5.585 -15.695 1.00 0.00 O
315
+ ATOM 314 CB LYS A 20 -5.865 3.584 -13.528 1.00 0.00 C
316
+ ATOM 315 CG LYS A 20 -6.228 2.469 -14.513 1.00 0.00 C
317
+ ATOM 316 CD LYS A 20 -7.743 2.447 -14.722 1.00 0.00 C
318
+ ATOM 317 CE LYS A 20 -8.410 1.749 -13.534 1.00 0.00 C
319
+ ATOM 318 NZ LYS A 20 -9.799 2.264 -13.370 1.00 0.00 N
320
+ ATOM 319 H LYS A 20 -5.494 5.943 -12.828 1.00 0.00 H
321
+ ATOM 320 HA LYS A 20 -4.052 4.196 -14.313 1.00 0.00 H
322
+ ATOM 321 HB2 LYS A 20 -5.434 3.208 -12.745 1.00 0.00 H
323
+ ATOM 322 HB3 LYS A 20 -6.669 4.031 -13.222 1.00 0.00 H
324
+ ATOM 323 HG2 LYS A 20 -5.777 2.613 -15.360 1.00 0.00 H
325
+ ATOM 324 HG3 LYS A 20 -5.926 1.612 -14.172 1.00 0.00 H
326
+ ATOM 325 HD2 LYS A 20 -8.081 3.352 -14.809 1.00 0.00 H
327
+ ATOM 326 HD3 LYS A 20 -7.959 1.983 -15.546 1.00 0.00 H
328
+ ATOM 327 HE2 LYS A 20 -8.425 0.790 -13.677 1.00 0.00 H
329
+ ATOM 328 HE3 LYS A 20 -7.899 1.907 -12.725 1.00 0.00 H
330
+ ATOM 329 HZ1 LYS A 20 -10.025 2.240 -12.509 1.00 0.00 H
331
+ ATOM 330 HZ2 LYS A 20 -9.842 3.103 -13.665 1.00 0.00 H
332
+ ATOM 331 HZ3 LYS A 20 -10.361 1.757 -13.838 1.00 0.00 H
333
+ ATOM 332 N GLY A 21 -4.813 4.577 -16.630 1.00 0.00 N
334
+ ATOM 333 CA GLY A 21 -5.305 4.907 -17.997 1.00 0.00 C
335
+ ATOM 334 C GLY A 21 -4.421 5.995 -18.612 1.00 0.00 C
336
+ ATOM 335 O GLY A 21 -4.550 6.329 -19.773 1.00 0.00 O
337
+ ATOM 336 H GLY A 21 -4.077 4.132 -16.603 1.00 0.00 H
338
+ ATOM 337 HA2 GLY A 21 -5.293 4.114 -18.555 1.00 0.00 H
339
+ ATOM 338 HA3 GLY A 21 -6.225 5.211 -17.955 1.00 0.00 H
340
+ ATOM 339 N GLU A 22 -3.524 6.551 -17.844 1.00 0.00 N
341
+ ATOM 340 CA GLU A 22 -2.635 7.616 -18.388 1.00 0.00 C
342
+ ATOM 341 C GLU A 22 -1.375 6.978 -18.978 1.00 0.00 C
343
+ ATOM 342 O GLU A 22 -0.705 6.194 -18.336 1.00 0.00 O
344
+ ATOM 343 CB GLU A 22 -2.241 8.575 -17.262 1.00 0.00 C
345
+ ATOM 344 CG GLU A 22 -1.108 9.486 -17.740 1.00 0.00 C
346
+ ATOM 345 CD GLU A 22 -0.720 10.449 -16.616 1.00 0.00 C
347
+ ATOM 346 OE1 GLU A 22 -1.595 10.817 -15.849 1.00 0.00 O
348
+ ATOM 347 OE2 GLU A 22 0.445 10.802 -16.542 1.00 0.00 O
349
+ ATOM 348 H GLU A 22 -3.393 6.351 -17.018 1.00 0.00 H
350
+ ATOM 349 HA GLU A 22 -3.104 8.106 -19.081 1.00 0.00 H
351
+ ATOM 350 HB2 GLU A 22 -3.006 9.108 -16.995 1.00 0.00 H
352
+ ATOM 351 HB3 GLU A 22 -1.958 8.074 -16.481 1.00 0.00 H
353
+ ATOM 352 HG2 GLU A 22 -0.341 8.954 -18.002 1.00 0.00 H
354
+ ATOM 353 HG3 GLU A 22 -1.389 9.984 -18.523 1.00 0.00 H
355
+ ATOM 354 N ARG A 23 -1.047 7.308 -20.198 1.00 0.00 N
356
+ ATOM 355 CA ARG A 23 0.169 6.721 -20.829 1.00 0.00 C
357
+ ATOM 356 C ARG A 23 1.408 7.480 -20.352 1.00 0.00 C
358
+ ATOM 357 O ARG A 23 1.353 8.659 -20.065 1.00 0.00 O
359
+ ATOM 358 CB ARG A 23 0.058 6.832 -22.351 1.00 0.00 C
360
+ ATOM 359 CG ARG A 23 -0.118 5.437 -22.954 1.00 0.00 C
361
+ ATOM 360 CD ARG A 23 -0.386 5.561 -24.455 1.00 0.00 C
362
+ ATOM 361 NE ARG A 23 0.541 6.568 -25.045 1.00 0.00 N
363
+ ATOM 362 CZ ARG A 23 1.789 6.256 -25.273 1.00 0.00 C
364
+ ATOM 363 NH1 ARG A 23 2.231 5.061 -24.984 1.00 0.00 N
365
+ ATOM 364 NH2 ARG A 23 2.597 7.141 -25.790 1.00 0.00 N
366
+ ATOM 365 H ARG A 23 -1.487 7.857 -20.693 1.00 0.00 H
367
+ ATOM 366 HA ARG A 23 0.245 5.787 -20.577 1.00 0.00 H
368
+ ATOM 367 HB2 ARG A 23 -0.695 7.395 -22.590 1.00 0.00 H
369
+ ATOM 368 HB3 ARG A 23 0.853 7.253 -22.713 1.00 0.00 H
370
+ ATOM 369 HG2 ARG A 23 0.678 4.905 -22.801 1.00 0.00 H
371
+ ATOM 370 HG3 ARG A 23 -0.854 4.977 -22.521 1.00 0.00 H
372
+ ATOM 371 HD2 ARG A 23 -0.263 4.701 -24.887 1.00 0.00 H
373
+ ATOM 372 HD3 ARG A 23 -1.306 5.826 -24.608 1.00 0.00 H
374
+ ATOM 373 HE ARG A 23 0.254 7.356 -25.236 1.00 0.00 H
375
+ ATOM 374 HH11 ARG A 23 1.700 4.477 -24.643 1.00 0.00 H
376
+ ATOM 375 HH12 ARG A 23 3.053 4.858 -25.135 1.00 0.00 H
377
+ ATOM 376 HH21 ARG A 23 2.308 7.928 -25.980 1.00 0.00 H
378
+ ATOM 377 HH22 ARG A 23 3.419 6.937 -25.941 1.00 0.00 H
379
+ ATOM 378 N LEU A 24 2.527 6.813 -20.266 1.00 0.00 N
380
+ ATOM 379 CA LEU A 24 3.770 7.497 -19.807 1.00 0.00 C
381
+ ATOM 380 C LEU A 24 4.936 7.099 -20.715 1.00 0.00 C
382
+ ATOM 381 O LEU A 24 5.051 5.962 -21.128 1.00 0.00 O
383
+ ATOM 382 CB LEU A 24 4.079 7.082 -18.367 1.00 0.00 C
384
+ ATOM 383 CG LEU A 24 2.947 7.544 -17.448 1.00 0.00 C
385
+ ATOM 384 CD1 LEU A 24 2.396 6.344 -16.674 1.00 0.00 C
386
+ ATOM 385 CD2 LEU A 24 3.483 8.583 -16.462 1.00 0.00 C
387
+ ATOM 386 H LEU A 24 2.617 5.980 -20.458 1.00 0.00 H
388
+ ATOM 387 HA LEU A 24 3.644 8.458 -19.846 1.00 0.00 H
389
+ ATOM 388 HB2 LEU A 24 4.180 6.119 -18.313 1.00 0.00 H
390
+ ATOM 389 HB3 LEU A 24 4.920 7.472 -18.081 1.00 0.00 H
391
+ ATOM 390 HG LEU A 24 2.239 7.938 -17.981 1.00 0.00 H
392
+ ATOM 391 HD11 LEU A 24 1.678 6.637 -16.091 1.00 0.00 H
393
+ ATOM 392 HD12 LEU A 24 2.056 5.684 -17.299 1.00 0.00 H
394
+ ATOM 393 HD13 LEU A 24 3.104 5.950 -16.141 1.00 0.00 H
395
+ ATOM 394 HD21 LEU A 24 2.765 8.876 -15.879 1.00 0.00 H
396
+ ATOM 395 HD22 LEU A 24 4.191 8.189 -15.929 1.00 0.00 H
397
+ ATOM 396 HD23 LEU A 24 3.833 9.344 -16.952 1.00 0.00 H
398
+ ATOM 397 N GLN A 25 5.802 8.023 -21.029 1.00 0.00 N
399
+ ATOM 398 CA GLN A 25 6.957 7.689 -21.910 1.00 0.00 C
400
+ ATOM 399 C GLN A 25 8.077 7.071 -21.071 1.00 0.00 C
401
+ ATOM 400 O GLN A 25 8.818 7.763 -20.402 1.00 0.00 O
402
+ ATOM 401 CB GLN A 25 7.474 8.962 -22.585 1.00 0.00 C
403
+ ATOM 402 CG GLN A 25 8.814 8.668 -23.262 1.00 0.00 C
404
+ ATOM 403 CD GLN A 25 9.079 9.714 -24.347 1.00 0.00 C
405
+ ATOM 404 OE1 GLN A 25 9.970 10.529 -24.216 1.00 0.00 O
406
+ ATOM 405 NE2 GLN A 25 8.337 9.726 -25.420 1.00 0.00 N
407
+ ATOM 406 H GLN A 25 5.767 8.840 -20.764 1.00 0.00 H
408
+ ATOM 407 HA GLN A 25 6.671 7.057 -22.588 1.00 0.00 H
409
+ ATOM 408 HB2 GLN A 25 6.831 9.277 -23.240 1.00 0.00 H
410
+ ATOM 409 HB3 GLN A 25 7.580 9.668 -21.929 1.00 0.00 H
411
+ ATOM 410 HG2 GLN A 25 9.528 8.681 -22.606 1.00 0.00 H
412
+ ATOM 411 HG3 GLN A 25 8.802 7.780 -23.652 1.00 0.00 H
413
+ ATOM 412 HE21 GLN A 25 7.706 9.149 -25.513 1.00 0.00 H
414
+ ATOM 413 HE22 GLN A 25 8.479 10.311 -26.034 1.00 0.00 H
415
+ ATOM 414 N ILE A 26 8.206 5.772 -21.099 1.00 0.00 N
416
+ ATOM 415 CA ILE A 26 9.278 5.114 -20.301 1.00 0.00 C
417
+ ATOM 416 C ILE A 26 10.645 5.516 -20.857 1.00 0.00 C
418
+ ATOM 417 O ILE A 26 10.923 5.352 -22.028 1.00 0.00 O
419
+ ATOM 418 CB ILE A 26 9.120 3.596 -20.385 1.00 0.00 C
420
+ ATOM 419 CG1 ILE A 26 7.898 3.164 -19.573 1.00 0.00 C
421
+ ATOM 420 CG2 ILE A 26 10.371 2.922 -19.817 1.00 0.00 C
422
+ ATOM 421 CD1 ILE A 26 7.986 3.758 -18.166 1.00 0.00 C
423
+ ATOM 422 H ILE A 26 7.708 5.239 -21.555 1.00 0.00 H
424
+ ATOM 423 HA ILE A 26 9.209 5.394 -19.375 1.00 0.00 H
425
+ ATOM 424 HB ILE A 26 9.002 3.334 -21.312 1.00 0.00 H
426
+ ATOM 425 HG12 ILE A 26 7.085 3.462 -20.010 1.00 0.00 H
427
+ ATOM 426 HG13 ILE A 26 7.855 2.196 -19.524 1.00 0.00 H
428
+ ATOM 427 HG21 ILE A 26 10.272 1.959 -19.870 1.00 0.00 H
429
+ ATOM 428 HG22 ILE A 26 11.147 3.195 -20.330 1.00 0.00 H
430
+ ATOM 429 HG23 ILE A 26 10.488 3.184 -18.890 1.00 0.00 H
431
+ ATOM 430 HD11 ILE A 26 7.211 3.485 -17.650 1.00 0.00 H
432
+ ATOM 431 HD12 ILE A 26 8.792 3.441 -17.730 1.00 0.00 H
433
+ ATOM 432 HD13 ILE A 26 8.010 4.726 -18.224 1.00 0.00 H
434
+ ATOM 433 N VAL A 27 11.501 6.040 -20.025 1.00 0.00 N
435
+ ATOM 434 CA VAL A 27 12.850 6.453 -20.503 1.00 0.00 C
436
+ ATOM 435 C VAL A 27 13.839 5.311 -20.278 1.00 0.00 C
437
+ ATOM 436 O VAL A 27 14.583 4.934 -21.162 1.00 0.00 O
438
+ ATOM 437 CB VAL A 27 13.309 7.691 -19.728 1.00 0.00 C
439
+ ATOM 438 CG1 VAL A 27 14.799 7.930 -19.982 1.00 0.00 C
440
+ ATOM 439 CG2 VAL A 27 12.511 8.909 -20.196 1.00 0.00 C
441
+ ATOM 440 H VAL A 27 11.352 6.175 -19.189 1.00 0.00 H
442
+ ATOM 441 HA VAL A 27 12.810 6.663 -21.449 1.00 0.00 H
443
+ ATOM 442 HB VAL A 27 13.161 7.551 -18.779 1.00 0.00 H
444
+ ATOM 443 HG11 VAL A 27 15.089 8.714 -19.491 1.00 0.00 H
445
+ ATOM 444 HG12 VAL A 27 15.306 7.158 -19.686 1.00 0.00 H
446
+ ATOM 445 HG13 VAL A 27 14.947 8.070 -20.930 1.00 0.00 H
447
+ ATOM 446 HG21 VAL A 27 12.801 9.694 -19.706 1.00 0.00 H
448
+ ATOM 447 HG22 VAL A 27 12.659 9.048 -21.145 1.00 0.00 H
449
+ ATOM 448 HG23 VAL A 27 11.566 8.759 -20.035 1.00 0.00 H
450
+ ATOM 449 N ASN A 28 13.852 4.757 -19.100 1.00 0.00 N
451
+ ATOM 450 CA ASN A 28 14.791 3.639 -18.811 1.00 0.00 C
452
+ ATOM 451 C ASN A 28 14.013 2.458 -18.226 1.00 0.00 C
453
+ ATOM 452 O ASN A 28 13.346 2.580 -17.218 1.00 0.00 O
454
+ ATOM 453 CB ASN A 28 15.843 4.107 -17.804 1.00 0.00 C
455
+ ATOM 454 CG ASN A 28 17.165 4.367 -18.530 1.00 0.00 C
456
+ ATOM 455 OD1 ASN A 28 17.878 3.443 -18.867 1.00 0.00 O
457
+ ATOM 456 ND2 ASN A 28 17.524 5.596 -18.786 1.00 0.00 N
458
+ ATOM 457 H ASN A 28 13.346 4.988 -18.444 1.00 0.00 H
459
+ ATOM 458 HA ASN A 28 15.229 3.362 -19.631 1.00 0.00 H
460
+ ATOM 459 HB2 ASN A 28 15.542 4.915 -17.360 1.00 0.00 H
461
+ ATOM 460 HB3 ASN A 28 15.968 3.435 -17.116 1.00 0.00 H
462
+ ATOM 461 HD21 ASN A 28 18.265 5.751 -19.193 1.00 0.00 H
463
+ ATOM 462 HD22 ASN A 28 17.019 6.250 -18.547 1.00 0.00 H
464
+ ATOM 463 N ASN A 29 14.094 1.314 -18.849 1.00 0.00 N
465
+ ATOM 464 CA ASN A 29 13.359 0.128 -18.328 1.00 0.00 C
466
+ ATOM 465 C ASN A 29 14.312 -1.065 -18.234 1.00 0.00 C
467
+ ATOM 466 O ASN A 29 15.515 -0.920 -18.328 1.00 0.00 O
468
+ ATOM 467 CB ASN A 29 12.208 -0.215 -19.277 1.00 0.00 C
469
+ ATOM 468 CG ASN A 29 12.747 -0.356 -20.702 1.00 0.00 C
470
+ ATOM 469 OD1 ASN A 29 13.933 -0.528 -20.901 1.00 0.00 O
471
+ ATOM 470 ND2 ASN A 29 11.919 -0.289 -21.709 1.00 0.00 N
472
+ ATOM 471 H ASN A 29 14.552 1.176 -19.563 1.00 0.00 H
473
+ ATOM 472 HA ASN A 29 13.006 0.329 -17.447 1.00 0.00 H
474
+ ATOM 473 HB2 ASN A 29 11.782 -1.041 -18.999 1.00 0.00 H
475
+ ATOM 474 HB3 ASN A 29 11.531 0.479 -19.244 1.00 0.00 H
476
+ ATOM 475 HD21 ASN A 29 12.213 -0.367 -22.513 1.00 0.00 H
477
+ ATOM 476 HD22 ASN A 29 11.079 -0.167 -21.568 1.00 0.00 H
478
+ ATOM 477 N THR A 30 13.780 -2.244 -18.049 1.00 0.00 N
479
+ ATOM 478 CA THR A 30 14.646 -3.454 -17.947 1.00 0.00 C
480
+ ATOM 479 C THR A 30 15.879 -3.139 -17.097 1.00 0.00 C
481
+ ATOM 480 O THR A 30 16.973 -3.583 -17.384 1.00 0.00 O
482
+ ATOM 481 CB THR A 30 15.086 -3.891 -19.348 1.00 0.00 C
483
+ ATOM 482 OG1 THR A 30 15.747 -5.145 -19.264 1.00 0.00 O
484
+ ATOM 483 CG2 THR A 30 16.037 -2.849 -19.939 1.00 0.00 C
485
+ ATOM 484 H THR A 30 12.936 -2.393 -17.977 1.00 0.00 H
486
+ ATOM 485 HA THR A 30 14.144 -4.171 -17.528 1.00 0.00 H
487
+ ATOM 486 HB THR A 30 14.307 -3.972 -19.920 1.00 0.00 H
488
+ ATOM 487 HG1 THR A 30 16.510 -5.038 -18.930 1.00 0.00 H
489
+ ATOM 488 HG21 THR A 30 16.313 -3.129 -20.826 1.00 0.00 H
490
+ ATOM 489 HG22 THR A 30 15.584 -1.993 -19.997 1.00 0.00 H
491
+ ATOM 490 HG23 THR A 30 16.818 -2.763 -19.370 1.00 0.00 H
492
+ ATOM 491 N GLU A 31 15.712 -2.377 -16.051 1.00 0.00 N
493
+ ATOM 492 CA GLU A 31 16.874 -2.035 -15.185 1.00 0.00 C
494
+ ATOM 493 C GLU A 31 16.415 -1.957 -13.728 1.00 0.00 C
495
+ ATOM 494 O GLU A 31 16.519 -2.911 -12.982 1.00 0.00 O
496
+ ATOM 495 CB GLU A 31 17.448 -0.683 -15.613 1.00 0.00 C
497
+ ATOM 496 CG GLU A 31 18.847 -0.885 -16.197 1.00 0.00 C
498
+ ATOM 497 CD GLU A 31 19.863 -0.093 -15.372 1.00 0.00 C
499
+ ATOM 498 OE1 GLU A 31 19.447 0.807 -14.661 1.00 0.00 O
500
+ ATOM 499 OE2 GLU A 31 21.040 -0.400 -15.466 1.00 0.00 O
501
+ ATOM 500 H GLU A 31 14.960 -2.039 -15.805 1.00 0.00 H
502
+ ATOM 501 HA GLU A 31 17.557 -2.718 -15.273 1.00 0.00 H
503
+ ATOM 502 HB2 GLU A 31 16.869 -0.269 -16.272 1.00 0.00 H
504
+ ATOM 503 HB3 GLU A 31 17.488 -0.082 -14.852 1.00 0.00 H
505
+ ATOM 504 HG2 GLU A 31 19.077 -1.827 -16.193 1.00 0.00 H
506
+ ATOM 505 HG3 GLU A 31 18.868 -0.592 -17.121 1.00 0.00 H
507
+ ATOM 506 N GLY A 32 15.908 -0.828 -13.318 1.00 0.00 N
508
+ ATOM 507 CA GLY A 32 15.442 -0.687 -11.910 1.00 0.00 C
509
+ ATOM 508 C GLY A 32 13.913 -0.635 -11.883 1.00 0.00 C
510
+ ATOM 509 O GLY A 32 13.289 -0.029 -12.730 1.00 0.00 O
511
+ ATOM 510 H GLY A 32 15.814 -0.127 -13.807 1.00 0.00 H
512
+ ATOM 511 HA2 GLY A 32 15.760 -1.433 -11.378 1.00 0.00 H
513
+ ATOM 512 HA3 GLY A 32 15.810 0.120 -11.516 1.00 0.00 H
514
+ ATOM 513 N ASP A 33 13.304 -1.267 -10.918 1.00 0.00 N
515
+ ATOM 514 CA ASP A 33 11.816 -1.252 -10.841 1.00 0.00 C
516
+ ATOM 515 C ASP A 33 11.304 0.169 -11.090 1.00 0.00 C
517
+ ATOM 516 O ASP A 33 10.342 0.376 -11.802 1.00 0.00 O
518
+ ATOM 517 CB ASP A 33 11.371 -1.717 -9.453 1.00 0.00 C
519
+ ATOM 518 CG ASP A 33 10.939 -3.183 -9.521 1.00 0.00 C
520
+ ATOM 519 OD1 ASP A 33 11.806 -4.039 -9.464 1.00 0.00 O
521
+ ATOM 520 OD2 ASP A 33 9.748 -3.425 -9.628 1.00 0.00 O
522
+ ATOM 521 H ASP A 33 13.699 -1.710 -10.296 1.00 0.00 H
523
+ ATOM 522 HA ASP A 33 11.453 -1.849 -11.514 1.00 0.00 H
524
+ ATOM 523 HB2 ASP A 33 12.097 -1.613 -8.818 1.00 0.00 H
525
+ ATOM 524 HB3 ASP A 33 10.637 -1.168 -9.137 1.00 0.00 H
526
+ ATOM 525 N TRP A 34 11.940 1.149 -10.511 1.00 0.00 N
527
+ ATOM 526 CA TRP A 34 11.488 2.555 -10.715 1.00 0.00 C
528
+ ATOM 527 C TRP A 34 12.127 3.120 -11.986 1.00 0.00 C
529
+ ATOM 528 O TRP A 34 13.333 3.223 -12.092 1.00 0.00 O
530
+ ATOM 529 CB TRP A 34 11.906 3.403 -9.513 1.00 0.00 C
531
+ ATOM 530 CG TRP A 34 11.088 2.990 -8.289 1.00 0.00 C
532
+ ATOM 531 CD1 TRP A 34 11.407 1.990 -7.449 1.00 0.00 C
533
+ ATOM 532 CD2 TRP A 34 9.952 3.564 -7.900 1.00 0.00 C
534
+ ATOM 533 NE1 TRP A 34 10.417 2.002 -6.556 1.00 0.00 N
535
+ ATOM 534 CE2 TRP A 34 9.467 2.950 -6.761 1.00 0.00 C
536
+ ATOM 535 CE3 TRP A 34 9.262 4.619 -8.462 1.00 0.00 C
537
+ ATOM 536 CZ2 TRP A 34 8.294 3.391 -6.186 1.00 0.00 C
538
+ ATOM 537 CZ3 TRP A 34 8.087 5.060 -7.885 1.00 0.00 C
539
+ ATOM 538 CH2 TRP A 34 7.604 4.445 -6.747 1.00 0.00 C
540
+ ATOM 539 H TRP A 34 12.626 1.055 -10.000 1.00 0.00 H
541
+ ATOM 540 HA TRP A 34 10.522 2.574 -10.805 1.00 0.00 H
542
+ ATOM 541 HB2 TRP A 34 12.853 3.286 -9.336 1.00 0.00 H
543
+ ATOM 542 HB3 TRP A 34 11.767 4.344 -9.705 1.00 0.00 H
544
+ ATOM 543 HD1 TRP A 34 12.144 1.424 -7.483 1.00 0.00 H
545
+ ATOM 544 HE1 TRP A 34 10.383 1.449 -5.898 1.00 0.00 H
546
+ ATOM 545 HE3 TRP A 34 9.588 5.033 -9.229 1.00 0.00 H
547
+ ATOM 546 HZ2 TRP A 34 7.968 2.977 -5.419 1.00 0.00 H
548
+ ATOM 547 HZ3 TRP A 34 7.621 5.771 -8.263 1.00 0.00 H
549
+ ATOM 548 HH2 TRP A 34 6.813 4.742 -6.359 1.00 0.00 H
550
+ ATOM 549 N TRP A 35 11.328 3.488 -12.951 1.00 0.00 N
551
+ ATOM 550 CA TRP A 35 11.891 4.046 -14.214 1.00 0.00 C
552
+ ATOM 551 C TRP A 35 11.563 5.536 -14.308 1.00 0.00 C
553
+ ATOM 552 O TRP A 35 10.711 6.041 -13.603 1.00 0.00 O
554
+ ATOM 553 CB TRP A 35 11.270 3.335 -15.417 1.00 0.00 C
555
+ ATOM 554 CG TRP A 35 11.424 1.821 -15.273 1.00 0.00 C
556
+ ATOM 555 CD1 TRP A 35 12.536 1.192 -14.861 1.00 0.00 C
557
+ ATOM 556 CD2 TRP A 35 10.478 0.932 -15.561 1.00 0.00 C
558
+ ATOM 557 NE1 TRP A 35 12.205 -0.100 -14.920 1.00 0.00 N
559
+ ATOM 558 CE2 TRP A 35 10.940 -0.352 -15.347 1.00 0.00 C
560
+ ATOM 559 CE3 TRP A 35 9.191 1.137 -16.014 1.00 0.00 C
561
+ ATOM 560 CZ2 TRP A 35 10.114 -1.430 -15.588 1.00 0.00 C
562
+ ATOM 561 CZ3 TRP A 35 8.365 0.059 -16.256 1.00 0.00 C
563
+ ATOM 562 CH2 TRP A 35 8.826 -1.225 -16.043 1.00 0.00 C
564
+ ATOM 563 H TRP A 35 10.470 3.436 -12.924 1.00 0.00 H
565
+ ATOM 564 HA TRP A 35 12.852 3.915 -14.213 1.00 0.00 H
566
+ ATOM 565 HB2 TRP A 35 10.331 3.566 -15.488 1.00 0.00 H
567
+ ATOM 566 HB3 TRP A 35 11.698 3.634 -16.234 1.00 0.00 H
568
+ ATOM 567 HD1 TRP A 35 13.345 1.567 -14.597 1.00 0.00 H
569
+ ATOM 568 HE1 TRP A 35 12.752 -0.727 -14.704 1.00 0.00 H
570
+ ATOM 569 HE3 TRP A 35 8.880 2.002 -16.156 1.00 0.00 H
571
+ ATOM 570 HZ2 TRP A 35 10.424 -2.295 -15.444 1.00 0.00 H
572
+ ATOM 571 HZ3 TRP A 35 7.498 0.197 -16.563 1.00 0.00 H
573
+ ATOM 572 HH2 TRP A 35 8.269 -1.952 -16.206 1.00 0.00 H
574
+ ATOM 573 N LEU A 36 12.232 6.243 -15.175 1.00 0.00 N
575
+ ATOM 574 CA LEU A 36 11.960 7.700 -15.320 1.00 0.00 C
576
+ ATOM 575 C LEU A 36 10.996 7.898 -16.488 1.00 0.00 C
577
+ ATOM 576 O LEU A 36 11.339 7.667 -17.628 1.00 0.00 O
578
+ ATOM 577 CB LEU A 36 13.262 8.448 -15.604 1.00 0.00 C
579
+ ATOM 578 CG LEU A 36 12.936 9.882 -16.028 1.00 0.00 C
580
+ ATOM 579 CD1 LEU A 36 14.049 10.818 -15.560 1.00 0.00 C
581
+ ATOM 580 CD2 LEU A 36 12.819 9.953 -17.551 1.00 0.00 C
582
+ ATOM 581 H LEU A 36 12.843 5.932 -15.694 1.00 0.00 H
583
+ ATOM 582 HA LEU A 36 11.572 8.045 -14.500 1.00 0.00 H
584
+ ATOM 583 HB2 LEU A 36 13.824 8.453 -14.813 1.00 0.00 H
585
+ ATOM 584 HB3 LEU A 36 13.760 7.998 -16.304 1.00 0.00 H
586
+ ATOM 585 HG LEU A 36 12.095 10.152 -15.627 1.00 0.00 H
587
+ ATOM 586 HD11 LEU A 36 13.842 11.727 -15.829 1.00 0.00 H
588
+ ATOM 587 HD12 LEU A 36 14.123 10.776 -14.594 1.00 0.00 H
589
+ ATOM 588 HD13 LEU A 36 14.890 10.546 -15.960 1.00 0.00 H
590
+ ATOM 589 HD21 LEU A 36 12.612 10.862 -17.818 1.00 0.00 H
591
+ ATOM 590 HD22 LEU A 36 13.659 9.681 -17.953 1.00 0.00 H
592
+ ATOM 591 HD23 LEU A 36 12.111 9.360 -17.849 1.00 0.00 H
593
+ ATOM 592 N ALA A 37 9.796 8.325 -16.221 1.00 0.00 N
594
+ ATOM 593 CA ALA A 37 8.828 8.528 -17.332 1.00 0.00 C
595
+ ATOM 594 C ALA A 37 8.668 10.019 -17.629 1.00 0.00 C
596
+ ATOM 595 O ALA A 37 8.936 10.866 -16.800 1.00 0.00 O
597
+ ATOM 596 CB ALA A 37 7.472 7.938 -16.941 1.00 0.00 C
598
+ ATOM 597 H ALA A 37 9.500 8.507 -15.434 1.00 0.00 H
599
+ ATOM 598 HA ALA A 37 9.162 8.083 -18.126 1.00 0.00 H
600
+ ATOM 599 HB1 ALA A 37 6.840 8.070 -17.665 1.00 0.00 H
601
+ ATOM 600 HB2 ALA A 37 7.570 6.989 -16.767 1.00 0.00 H
602
+ ATOM 601 HB3 ALA A 37 7.145 8.380 -16.142 1.00 0.00 H
603
+ ATOM 602 N HIS A 38 8.230 10.340 -18.815 1.00 0.00 N
604
+ ATOM 603 CA HIS A 38 8.044 11.768 -19.191 1.00 0.00 C
605
+ ATOM 604 C HIS A 38 6.670 11.931 -19.847 1.00 0.00 C
606
+ ATOM 605 O HIS A 38 6.297 11.174 -20.722 1.00 0.00 O
607
+ ATOM 606 CB HIS A 38 9.146 12.177 -20.176 1.00 0.00 C
608
+ ATOM 607 CG HIS A 38 8.743 13.458 -20.912 1.00 0.00 C
609
+ ATOM 608 ND1 HIS A 38 8.792 14.627 -20.424 1.00 0.00 N
610
+ ATOM 609 CD2 HIS A 38 8.267 13.628 -22.199 1.00 0.00 C
611
+ ATOM 610 CE1 HIS A 38 8.395 15.490 -21.282 1.00 0.00 C
612
+ ATOM 611 NE2 HIS A 38 8.046 14.932 -22.430 1.00 0.00 N
613
+ ATOM 612 H HIS A 38 8.029 9.774 -19.430 1.00 0.00 H
614
+ ATOM 613 HA HIS A 38 8.096 12.332 -18.404 1.00 0.00 H
615
+ ATOM 614 HB2 HIS A 38 9.980 12.317 -19.700 1.00 0.00 H
616
+ ATOM 615 HB3 HIS A 38 9.300 11.463 -20.815 1.00 0.00 H
617
+ ATOM 616 HD1 HIS A 38 9.055 14.814 -19.627 1.00 0.00 H
618
+ ATOM 617 HD2 HIS A 38 8.122 12.943 -22.811 1.00 0.00 H
619
+ ATOM 618 HE1 HIS A 38 8.356 16.404 -21.117 1.00 0.00 H
620
+ ATOM 619 HE2 HIS A 38 7.752 15.310 -23.144 1.00 0.00 H
621
+ ATOM 620 N SER A 39 5.911 12.906 -19.427 1.00 0.00 N
622
+ ATOM 621 CA SER A 39 4.564 13.111 -20.030 1.00 0.00 C
623
+ ATOM 622 C SER A 39 4.696 13.936 -21.312 1.00 0.00 C
624
+ ATOM 623 O SER A 39 5.426 14.905 -21.366 1.00 0.00 O
625
+ ATOM 624 CB SER A 39 3.668 13.853 -19.037 1.00 0.00 C
626
+ ATOM 625 OG SER A 39 3.570 13.103 -17.835 1.00 0.00 O
627
+ ATOM 626 H SER A 39 6.125 13.464 -18.809 1.00 0.00 H
628
+ ATOM 627 HA SER A 39 4.171 12.249 -20.240 1.00 0.00 H
629
+ ATOM 628 HB2 SER A 39 4.033 14.732 -18.852 1.00 0.00 H
630
+ ATOM 629 HB3 SER A 39 2.786 13.986 -19.419 1.00 0.00 H
631
+ ATOM 630 HG SER A 39 3.079 13.511 -17.289 1.00 0.00 H
632
+ ATOM 631 N LEU A 40 3.994 13.558 -22.345 1.00 0.00 N
633
+ ATOM 632 CA LEU A 40 4.079 14.320 -23.623 1.00 0.00 C
634
+ ATOM 633 C LEU A 40 3.010 15.415 -23.635 1.00 0.00 C
635
+ ATOM 634 O LEU A 40 2.996 16.272 -24.496 1.00 0.00 O
636
+ ATOM 635 CB LEU A 40 3.848 13.370 -24.799 1.00 0.00 C
637
+ ATOM 636 CG LEU A 40 4.615 12.067 -24.559 1.00 0.00 C
638
+ ATOM 637 CD1 LEU A 40 4.238 11.049 -25.637 1.00 0.00 C
639
+ ATOM 638 CD2 LEU A 40 6.120 12.341 -24.618 1.00 0.00 C
640
+ ATOM 639 H LEU A 40 3.464 12.881 -22.357 1.00 0.00 H
641
+ ATOM 640 HA LEU A 40 4.957 14.724 -23.701 1.00 0.00 H
642
+ ATOM 641 HB2 LEU A 40 2.901 13.186 -24.898 1.00 0.00 H
643
+ ATOM 642 HB3 LEU A 40 4.144 13.784 -25.625 1.00 0.00 H
644
+ ATOM 643 HG LEU A 40 4.386 11.713 -23.685 1.00 0.00 H
645
+ ATOM 644 HD11 LEU A 40 4.723 10.223 -25.486 1.00 0.00 H
646
+ ATOM 645 HD12 LEU A 40 3.285 10.875 -25.599 1.00 0.00 H
647
+ ATOM 646 HD13 LEU A 40 4.467 11.403 -26.511 1.00 0.00 H
648
+ ATOM 647 HD21 LEU A 40 6.606 11.515 -24.466 1.00 0.00 H
649
+ ATOM 648 HD22 LEU A 40 6.351 12.695 -25.491 1.00 0.00 H
650
+ ATOM 649 HD23 LEU A 40 6.359 12.987 -23.934 1.00 0.00 H
651
+ ATOM 650 N THR A 41 2.114 15.394 -22.686 1.00 0.00 N
652
+ ATOM 651 CA THR A 41 1.049 16.434 -22.645 1.00 0.00 C
653
+ ATOM 652 C THR A 41 1.640 17.747 -22.129 1.00 0.00 C
654
+ ATOM 653 O THR A 41 1.800 18.699 -22.867 1.00 0.00 O
655
+ ATOM 654 CB THR A 41 -0.074 15.977 -21.710 1.00 0.00 C
656
+ ATOM 655 OG1 THR A 41 -0.162 14.559 -21.738 1.00 0.00 O
657
+ ATOM 656 CG2 THR A 41 -1.402 16.581 -22.171 1.00 0.00 C
658
+ ATOM 657 H THR A 41 2.080 14.810 -22.055 1.00 0.00 H
659
+ ATOM 658 HA THR A 41 0.692 16.568 -23.537 1.00 0.00 H
660
+ ATOM 659 HB THR A 41 0.117 16.273 -20.806 1.00 0.00 H
661
+ ATOM 660 HG1 THR A 41 -0.858 14.313 -21.336 1.00 0.00 H
662
+ ATOM 661 HG21 THR A 41 -2.113 16.291 -21.578 1.00 0.00 H
663
+ ATOM 662 HG22 THR A 41 -1.341 17.549 -22.153 1.00 0.00 H
664
+ ATOM 663 HG23 THR A 41 -1.595 16.287 -23.075 1.00 0.00 H
665
+ ATOM 664 N THR A 42 1.968 17.808 -20.867 1.00 0.00 N
666
+ ATOM 665 CA THR A 42 2.549 19.061 -20.310 1.00 0.00 C
667
+ ATOM 666 C THR A 42 4.051 19.096 -20.601 1.00 0.00 C
668
+ ATOM 667 O THR A 42 4.683 20.132 -20.532 1.00 0.00 O
669
+ ATOM 668 CB THR A 42 2.317 19.104 -18.797 1.00 0.00 C
670
+ ATOM 669 OG1 THR A 42 2.901 17.957 -18.197 1.00 0.00 O
671
+ ATOM 670 CG2 THR A 42 0.815 19.125 -18.510 1.00 0.00 C
672
+ ATOM 671 H THR A 42 1.876 17.165 -20.304 1.00 0.00 H
673
+ ATOM 672 HA THR A 42 2.122 19.829 -20.722 1.00 0.00 H
674
+ ATOM 673 HB THR A 42 2.725 19.904 -18.429 1.00 0.00 H
675
+ ATOM 674 HG1 THR A 42 2.661 17.908 -17.393 1.00 0.00 H
676
+ ATOM 675 HG21 THR A 42 0.669 19.152 -17.551 1.00 0.00 H
677
+ ATOM 676 HG22 THR A 42 0.418 19.910 -18.920 1.00 0.00 H
678
+ ATOM 677 HG23 THR A 42 0.404 18.327 -18.877 1.00 0.00 H
679
+ ATOM 678 N GLY A 43 4.626 17.970 -20.926 1.00 0.00 N
680
+ ATOM 679 CA GLY A 43 6.086 17.935 -21.223 1.00 0.00 C
681
+ ATOM 680 C GLY A 43 6.883 18.115 -19.929 1.00 0.00 C
682
+ ATOM 681 O GLY A 43 7.656 19.041 -19.789 1.00 0.00 O
683
+ ATOM 682 H GLY A 43 4.222 17.213 -20.987 1.00 0.00 H
684
+ ATOM 683 HA2 GLY A 43 6.319 17.092 -21.642 1.00 0.00 H
685
+ ATOM 684 HA3 GLY A 43 6.313 18.637 -21.853 1.00 0.00 H
686
+ ATOM 685 N GLN A 44 6.701 17.236 -18.980 1.00 0.00 N
687
+ ATOM 686 CA GLN A 44 7.450 17.360 -17.698 1.00 0.00 C
688
+ ATOM 687 C GLN A 44 7.977 15.984 -17.284 1.00 0.00 C
689
+ ATOM 688 O GLN A 44 7.688 14.984 -17.912 1.00 0.00 O
690
+ ATOM 689 CB GLN A 44 6.520 17.901 -16.609 1.00 0.00 C
691
+ ATOM 690 CG GLN A 44 6.318 19.405 -16.809 1.00 0.00 C
692
+ ATOM 691 CD GLN A 44 7.644 20.134 -16.587 1.00 0.00 C
693
+ ATOM 692 OE1 GLN A 44 8.654 19.515 -16.317 1.00 0.00 O
694
+ ATOM 693 NE2 GLN A 44 7.685 21.435 -16.691 1.00 0.00 N
695
+ ATOM 694 H GLN A 44 6.166 16.564 -19.029 1.00 0.00 H
696
+ ATOM 695 HA GLN A 44 8.194 17.971 -17.816 1.00 0.00 H
697
+ ATOM 696 HB2 GLN A 44 5.666 17.443 -16.643 1.00 0.00 H
698
+ ATOM 697 HB3 GLN A 44 6.899 17.730 -15.733 1.00 0.00 H
699
+ ATOM 698 HG2 GLN A 44 5.988 19.580 -17.704 1.00 0.00 H
700
+ ATOM 699 HG3 GLN A 44 5.649 19.736 -16.190 1.00 0.00 H
701
+ ATOM 700 HE21 GLN A 44 6.970 21.874 -16.882 1.00 0.00 H
702
+ ATOM 701 HE22 GLN A 44 8.427 21.853 -16.568 1.00 0.00 H
703
+ ATOM 702 N THR A 45 8.746 15.922 -16.232 1.00 0.00 N
704
+ ATOM 703 CA THR A 45 9.288 14.609 -15.781 1.00 0.00 C
705
+ ATOM 704 C THR A 45 8.244 13.895 -14.921 1.00 0.00 C
706
+ ATOM 705 O THR A 45 7.249 14.471 -14.531 1.00 0.00 O
707
+ ATOM 706 CB THR A 45 10.558 14.837 -14.957 1.00 0.00 C
708
+ ATOM 707 OG1 THR A 45 11.485 15.601 -15.716 1.00 0.00 O
709
+ ATOM 708 CG2 THR A 45 11.183 13.489 -14.595 1.00 0.00 C
710
+ ATOM 709 H THR A 45 8.979 16.598 -15.754 1.00 0.00 H
711
+ ATOM 710 HA THR A 45 9.498 14.063 -16.555 1.00 0.00 H
712
+ ATOM 711 HB THR A 45 10.333 15.316 -14.144 1.00 0.00 H
713
+ ATOM 712 HG1 THR A 45 12.206 15.669 -15.291 1.00 0.00 H
714
+ ATOM 713 HG21 THR A 45 11.987 13.635 -14.073 1.00 0.00 H
715
+ ATOM 714 HG22 THR A 45 10.551 12.968 -14.075 1.00 0.00 H
716
+ ATOM 715 HG23 THR A 45 11.408 13.008 -15.407 1.00 0.00 H
717
+ ATOM 716 N GLY A 46 8.462 12.643 -14.622 1.00 0.00 N
718
+ ATOM 717 CA GLY A 46 7.478 11.900 -13.787 1.00 0.00 C
719
+ ATOM 718 C GLY A 46 7.965 10.466 -13.570 1.00 0.00 C
720
+ ATOM 719 O GLY A 46 7.712 9.587 -14.370 1.00 0.00 O
721
+ ATOM 720 H GLY A 46 9.148 12.189 -14.872 1.00 0.00 H
722
+ ATOM 721 HA2 GLY A 46 7.364 12.345 -12.933 1.00 0.00 H
723
+ ATOM 722 HA3 GLY A 46 6.611 11.894 -14.222 1.00 0.00 H
724
+ ATOM 723 N TYR A 47 8.666 10.223 -12.496 1.00 0.00 N
725
+ ATOM 724 CA TYR A 47 9.167 8.850 -12.229 1.00 0.00 C
726
+ ATOM 725 C TYR A 47 7.981 7.939 -11.910 1.00 0.00 C
727
+ ATOM 726 O TYR A 47 7.181 8.229 -11.042 1.00 0.00 O
728
+ ATOM 727 CB TYR A 47 10.124 8.894 -11.039 1.00 0.00 C
729
+ ATOM 728 CG TYR A 47 11.070 10.088 -11.195 1.00 0.00 C
730
+ ATOM 729 CD1 TYR A 47 11.455 10.515 -12.450 1.00 0.00 C
731
+ ATOM 730 CD2 TYR A 47 11.550 10.755 -10.086 1.00 0.00 C
732
+ ATOM 731 CE1 TYR A 47 12.306 11.591 -12.593 1.00 0.00 C
733
+ ATOM 732 CE2 TYR A 47 12.401 11.831 -10.230 1.00 0.00 C
734
+ ATOM 733 CZ TYR A 47 12.786 12.258 -11.485 1.00 0.00 C
735
+ ATOM 734 OH TYR A 47 13.637 13.335 -11.628 1.00 0.00 O
736
+ ATOM 735 H TYR A 47 8.874 10.810 -11.903 1.00 0.00 H
737
+ ATOM 736 HA TYR A 47 9.635 8.506 -13.006 1.00 0.00 H
738
+ ATOM 737 HB2 TYR A 47 9.624 8.970 -10.211 1.00 0.00 H
739
+ ATOM 738 HB3 TYR A 47 10.632 8.069 -10.989 1.00 0.00 H
740
+ ATOM 739 HD1 TYR A 47 11.138 10.074 -13.205 1.00 0.00 H
741
+ ATOM 740 HD2 TYR A 47 11.298 10.477 -9.235 1.00 0.00 H
742
+ ATOM 741 HE1 TYR A 47 12.558 11.869 -13.444 1.00 0.00 H
743
+ ATOM 742 HE2 TYR A 47 12.718 12.272 -9.475 1.00 0.00 H
744
+ ATOM 743 HH TYR A 47 13.463 13.737 -12.345 1.00 0.00 H
745
+ ATOM 744 N ILE A 48 7.856 6.839 -12.602 1.00 0.00 N
746
+ ATOM 745 CA ILE A 48 6.717 5.919 -12.329 1.00 0.00 C
747
+ ATOM 746 C ILE A 48 7.243 4.517 -11.991 1.00 0.00 C
748
+ ATOM 747 O ILE A 48 8.149 4.028 -12.637 1.00 0.00 O
749
+ ATOM 748 CB ILE A 48 5.829 5.837 -13.572 1.00 0.00 C
750
+ ATOM 749 CG1 ILE A 48 6.624 5.220 -14.724 1.00 0.00 C
751
+ ATOM 750 CG2 ILE A 48 5.374 7.244 -13.965 1.00 0.00 C
752
+ ATOM 751 CD1 ILE A 48 5.703 5.015 -15.928 1.00 0.00 C
753
+ ATOM 752 H ILE A 48 8.391 6.586 -13.226 1.00 0.00 H
754
+ ATOM 753 HA ILE A 48 6.206 6.258 -11.577 1.00 0.00 H
755
+ ATOM 754 HB ILE A 48 5.053 5.287 -13.381 1.00 0.00 H
756
+ ATOM 755 HG12 ILE A 48 7.364 5.799 -14.966 1.00 0.00 H
757
+ ATOM 756 HG13 ILE A 48 7.006 4.372 -14.448 1.00 0.00 H
758
+ ATOM 757 HG21 ILE A 48 4.811 7.194 -14.753 1.00 0.00 H
759
+ ATOM 758 HG22 ILE A 48 4.872 7.638 -13.234 1.00 0.00 H
760
+ ATOM 759 HG23 ILE A 48 6.150 7.793 -14.157 1.00 0.00 H
761
+ ATOM 760 HD11 ILE A 48 6.207 4.624 -16.658 1.00 0.00 H
762
+ ATOM 761 HD12 ILE A 48 4.977 4.421 -15.683 1.00 0.00 H
763
+ ATOM 762 HD13 ILE A 48 5.340 5.870 -16.208 1.00 0.00 H
764
+ ATOM 763 N PRO A 49 6.657 3.911 -10.985 1.00 0.00 N
765
+ ATOM 764 CA PRO A 49 7.054 2.561 -10.546 1.00 0.00 C
766
+ ATOM 765 C PRO A 49 6.777 1.548 -11.662 1.00 0.00 C
767
+ ATOM 766 O PRO A 49 6.080 1.836 -12.614 1.00 0.00 O
768
+ ATOM 767 CB PRO A 49 6.179 2.272 -9.318 1.00 0.00 C
769
+ ATOM 768 CG PRO A 49 5.238 3.488 -9.114 1.00 0.00 C
770
+ ATOM 769 CD PRO A 49 5.571 4.525 -10.199 1.00 0.00 C
771
+ ATOM 770 HA PRO A 49 7.999 2.499 -10.336 1.00 0.00 H
772
+ ATOM 771 HB2 PRO A 49 5.664 1.461 -9.450 1.00 0.00 H
773
+ ATOM 772 HB3 PRO A 49 6.730 2.133 -8.532 1.00 0.00 H
774
+ ATOM 773 HG2 PRO A 49 4.310 3.214 -9.178 1.00 0.00 H
775
+ ATOM 774 HG3 PRO A 49 5.361 3.869 -8.230 1.00 0.00 H
776
+ ATOM 775 HD2 PRO A 49 4.798 4.715 -10.754 1.00 0.00 H
777
+ ATOM 776 HD3 PRO A 49 5.852 5.367 -9.807 1.00 0.00 H
778
+ ATOM 777 N SER A 50 7.316 0.364 -11.554 1.00 0.00 N
779
+ ATOM 778 CA SER A 50 7.081 -0.661 -12.612 1.00 0.00 C
780
+ ATOM 779 C SER A 50 5.841 -1.496 -12.272 1.00 0.00 C
781
+ ATOM 780 O SER A 50 5.120 -1.936 -13.146 1.00 0.00 O
782
+ ATOM 781 CB SER A 50 8.309 -1.574 -12.711 1.00 0.00 C
783
+ ATOM 782 OG SER A 50 7.935 -2.920 -12.449 1.00 0.00 O
784
+ ATOM 783 H SER A 50 7.815 0.109 -10.902 1.00 0.00 H
785
+ ATOM 784 HA SER A 50 6.934 -0.217 -13.462 1.00 0.00 H
786
+ ATOM 785 HB2 SER A 50 8.702 -1.506 -13.595 1.00 0.00 H
787
+ ATOM 786 HB3 SER A 50 8.986 -1.289 -12.077 1.00 0.00 H
788
+ ATOM 787 HG SER A 50 8.344 -3.198 -11.770 1.00 0.00 H
789
+ ATOM 788 N ASN A 51 5.586 -1.718 -11.011 1.00 0.00 N
790
+ ATOM 789 CA ASN A 51 4.394 -2.526 -10.623 1.00 0.00 C
791
+ ATOM 790 C ASN A 51 3.108 -1.733 -10.879 1.00 0.00 C
792
+ ATOM 791 O ASN A 51 2.018 -2.222 -10.662 1.00 0.00 O
793
+ ATOM 792 CB ASN A 51 4.483 -2.880 -9.137 1.00 0.00 C
794
+ ATOM 793 CG ASN A 51 5.204 -4.219 -8.973 1.00 0.00 C
795
+ ATOM 794 OD1 ASN A 51 5.005 -4.914 -7.996 1.00 0.00 O
796
+ ATOM 795 ND2 ASN A 51 6.040 -4.614 -9.894 1.00 0.00 N
797
+ ATOM 796 H ASN A 51 6.062 -1.429 -10.356 1.00 0.00 H
798
+ ATOM 797 HA ASN A 51 4.376 -3.337 -11.156 1.00 0.00 H
799
+ ATOM 798 HB2 ASN A 51 4.959 -2.184 -8.657 1.00 0.00 H
800
+ ATOM 799 HB3 ASN A 51 3.594 -2.932 -8.753 1.00 0.00 H
801
+ ATOM 800 HD21 ASN A 51 6.450 -5.365 -9.809 1.00 0.00 H
802
+ ATOM 801 HD22 ASN A 51 6.181 -4.123 -10.586 1.00 0.00 H
803
+ ATOM 802 N TYR A 52 3.220 -0.516 -11.337 1.00 0.00 N
804
+ ATOM 803 CA TYR A 52 1.993 0.289 -11.599 1.00 0.00 C
805
+ ATOM 804 C TYR A 52 1.801 0.477 -13.106 1.00 0.00 C
806
+ ATOM 805 O TYR A 52 0.834 1.069 -13.544 1.00 0.00 O
807
+ ATOM 806 CB TYR A 52 2.129 1.658 -10.927 1.00 0.00 C
808
+ ATOM 807 CG TYR A 52 1.583 1.582 -9.498 1.00 0.00 C
809
+ ATOM 808 CD1 TYR A 52 1.497 0.370 -8.844 1.00 0.00 C
810
+ ATOM 809 CD2 TYR A 52 1.172 2.725 -8.844 1.00 0.00 C
811
+ ATOM 810 CE1 TYR A 52 1.008 0.302 -7.556 1.00 0.00 C
812
+ ATOM 811 CE2 TYR A 52 0.683 2.657 -7.554 1.00 0.00 C
813
+ ATOM 812 CZ TYR A 52 0.597 1.444 -6.901 1.00 0.00 C
814
+ ATOM 813 OH TYR A 52 0.106 1.376 -5.612 1.00 0.00 O
815
+ ATOM 814 H TYR A 52 3.964 -0.120 -11.508 1.00 0.00 H
816
+ ATOM 815 HA TYR A 52 1.223 -0.178 -11.237 1.00 0.00 H
817
+ ATOM 816 HB2 TYR A 52 3.060 1.932 -10.914 1.00 0.00 H
818
+ ATOM 817 HB3 TYR A 52 1.644 2.328 -11.434 1.00 0.00 H
819
+ ATOM 818 HD1 TYR A 52 1.771 -0.407 -9.275 1.00 0.00 H
820
+ ATOM 819 HD2 TYR A 52 1.225 3.547 -9.275 1.00 0.00 H
821
+ ATOM 820 HE1 TYR A 52 0.955 -0.521 -7.126 1.00 0.00 H
822
+ ATOM 821 HE2 TYR A 52 0.410 3.434 -7.122 1.00 0.00 H
823
+ ATOM 822 HH TYR A 52 0.101 0.576 -5.356 1.00 0.00 H
824
+ ATOM 823 N VAL A 53 2.706 -0.021 -13.906 1.00 0.00 N
825
+ ATOM 824 CA VAL A 53 2.560 0.139 -15.382 1.00 0.00 C
826
+ ATOM 825 C VAL A 53 2.964 -1.159 -16.085 1.00 0.00 C
827
+ ATOM 826 O VAL A 53 3.552 -2.044 -15.496 1.00 0.00 O
828
+ ATOM 827 CB VAL A 53 3.451 1.292 -15.862 1.00 0.00 C
829
+ ATOM 828 CG1 VAL A 53 4.796 1.236 -15.135 1.00 0.00 C
830
+ ATOM 829 CG2 VAL A 53 3.686 1.192 -17.372 1.00 0.00 C
831
+ ATOM 830 H VAL A 53 3.406 -0.450 -13.650 1.00 0.00 H
832
+ ATOM 831 HA VAL A 53 1.635 0.339 -15.595 1.00 0.00 H
833
+ ATOM 832 HB VAL A 53 3.006 2.132 -15.667 1.00 0.00 H
834
+ ATOM 833 HG11 VAL A 53 5.359 1.965 -15.439 1.00 0.00 H
835
+ ATOM 834 HG12 VAL A 53 4.651 1.317 -14.179 1.00 0.00 H
836
+ ATOM 835 HG13 VAL A 53 5.232 0.391 -15.325 1.00 0.00 H
837
+ ATOM 836 HG21 VAL A 53 4.250 1.926 -17.661 1.00 0.00 H
838
+ ATOM 837 HG22 VAL A 53 4.122 0.350 -17.577 1.00 0.00 H
839
+ ATOM 838 HG23 VAL A 53 2.835 1.236 -17.836 1.00 0.00 H
840
+ ATOM 839 N ALA A 54 2.648 -1.272 -17.344 1.00 0.00 N
841
+ ATOM 840 CA ALA A 54 3.006 -2.505 -18.102 1.00 0.00 C
842
+ ATOM 841 C ALA A 54 2.852 -2.240 -19.603 1.00 0.00 C
843
+ ATOM 842 O ALA A 54 2.007 -1.468 -20.009 1.00 0.00 O
844
+ ATOM 843 CB ALA A 54 2.077 -3.648 -17.688 1.00 0.00 C
845
+ ATOM 844 H ALA A 54 2.232 -0.672 -17.799 1.00 0.00 H
846
+ ATOM 845 HA ALA A 54 3.924 -2.750 -17.907 1.00 0.00 H
847
+ ATOM 846 HB1 ALA A 54 2.310 -4.450 -18.181 1.00 0.00 H
848
+ ATOM 847 HB2 ALA A 54 2.173 -3.815 -16.737 1.00 0.00 H
849
+ ATOM 848 HB3 ALA A 54 1.158 -3.405 -17.882 1.00 0.00 H
850
+ ATOM 849 N PRO A 55 3.675 -2.895 -20.384 1.00 0.00 N
851
+ ATOM 850 CA PRO A 55 3.651 -2.747 -21.850 1.00 0.00 C
852
+ ATOM 851 C PRO A 55 2.285 -3.165 -22.403 1.00 0.00 C
853
+ ATOM 852 O PRO A 55 1.702 -4.140 -21.972 1.00 0.00 O
854
+ ATOM 853 CB PRO A 55 4.751 -3.688 -22.359 1.00 0.00 C
855
+ ATOM 854 CG PRO A 55 5.402 -4.364 -21.124 1.00 0.00 C
856
+ ATOM 855 CD PRO A 55 4.690 -3.833 -19.870 1.00 0.00 C
857
+ ATOM 856 HA PRO A 55 3.798 -1.830 -22.131 1.00 0.00 H
858
+ ATOM 857 HB2 PRO A 55 4.378 -4.356 -22.956 1.00 0.00 H
859
+ ATOM 858 HB3 PRO A 55 5.414 -3.194 -22.866 1.00 0.00 H
860
+ ATOM 859 HG2 PRO A 55 5.318 -5.329 -21.180 1.00 0.00 H
861
+ ATOM 860 HG3 PRO A 55 6.350 -4.164 -21.087 1.00 0.00 H
862
+ ATOM 861 HD2 PRO A 55 4.281 -4.553 -19.366 1.00 0.00 H
863
+ ATOM 862 HD3 PRO A 55 5.312 -3.387 -19.274 1.00 0.00 H
864
+ ATOM 863 N SER A 56 1.770 -2.434 -23.353 1.00 0.00 N
865
+ ATOM 864 CA SER A 56 0.444 -2.789 -23.932 1.00 0.00 C
866
+ ATOM 865 C SER A 56 0.562 -2.892 -25.454 1.00 0.00 C
867
+ ATOM 866 O SER A 56 0.116 -3.889 -25.997 1.00 0.00 O
868
+ ATOM 867 CB SER A 56 -0.576 -1.707 -23.573 1.00 0.00 C
869
+ ATOM 868 OG SER A 56 -1.779 -2.318 -23.129 1.00 0.00 O
870
+ ATOM 869 OXT SER A 56 1.097 -1.972 -26.050 1.00 0.00 O
871
+ ATOM 870 H SER A 56 2.141 -1.736 -23.691 1.00 0.00 H
872
+ ATOM 871 HA SER A 56 0.153 -3.641 -23.572 1.00 0.00 H
873
+ ATOM 872 HB2 SER A 56 -0.220 -1.130 -22.879 1.00 0.00 H
874
+ ATOM 873 HB3 SER A 56 -0.752 -1.146 -24.345 1.00 0.00 H
875
+ ATOM 874 HG SER A 56 -2.339 -1.724 -22.930 1.00 0.00 H
876
+ TER 875 SER A 56
877
+ END
1vcu/1vcu_ligand.mol2 ADDED
@@ -0,0 +1,92 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1vcu_ligand
7
+ 38 38 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 10.3920 3.8360 7.6340 C.2 1 DAN 0.0637
14
+ 2 C2 10.4530 5.0810 8.3340 C.3 1 DAN 0.1137
15
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1vcu/1vcu_ligand.sdf ADDED
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+ $$$$
1vcu/1vcu_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1vcu/1vcu_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1y6r/1y6r_ligand.mol2 ADDED
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1
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1y6r/1y6r_ligand.sdf ADDED
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82
+ $$$$
1y6r/1y6r_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1y6r/1y6r_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1zfk/1zfk_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
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5
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The diff for this file is too large to render. See raw diff
 
2ay9/2ay9_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ M END
465
+ $$$$