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THU-ATOM
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PDBbind

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Add batch 82

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  1. 1azg/1azg_ligand.mol2 +434 -0
  2. 1azg/1azg_ligand.sdf +424 -0
  3. 1azg/1azg_protein_esmfold_aligned_tr_fix.pdb +471 -0
  4. 1azg/1azg_protein_processed_fix.pdb +904 -0
  5. 1cw2/1cw2_ligand.mol2 +76 -0
  6. 1cw2/1cw2_ligand.sdf +70 -0
  7. 1cw2/1cw2_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1cw2/1cw2_protein_processed_fix.pdb +0 -0
  9. 1doj/1doj_ligand.mol2 +179 -0
  10. 1doj/1doj_ligand.sdf +169 -0
  11. 1doj/1doj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1doj/1doj_protein_processed_fix.pdb +0 -0
  13. 1e1x/1e1x_ligand.mol2 +87 -0
  14. 1e1x/1e1x_ligand.sdf +77 -0
  15. 1e1x/1e1x_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1e1x/1e1x_protein_processed_fix.pdb +0 -0
  17. 1e5a/1e5a_ligand.mol2 +42 -0
  18. 1e5a/1e5a_ligand.sdf +32 -0
  19. 1e5a/1e5a_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1e5a/1e5a_protein_processed_fix.pdb +0 -0
  21. 1hq5/1hq5_ligand.mol2 +67 -0
  22. 1hq5/1hq5_ligand.sdf +59 -0
  23. 1hq5/1hq5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1hq5/1hq5_protein_processed_fix.pdb +0 -0
  25. 1k1y/1k1y_ligand.mol2 +195 -0
  26. 1k1y/1k1y_ligand.sdf +185 -0
  27. 1k1y/1k1y_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1k1y/1k1y_protein_processed_fix.pdb +0 -0
  29. 1kti/1kti_ligand.mol2 +84 -0
  30. 1kti/1kti_ligand.sdf +74 -0
  31. 1kti/1kti_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1kti/1kti_protein_processed_fix.pdb +0 -0
  33. 1xh4/1xh4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1xh4/1xh4_protein_processed_fix.pdb +0 -0
  35. 2btr/2btr_ligand.mol2 +83 -0
  36. 2btr/2btr_ligand.sdf +73 -0
  37. 2btr/2btr_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2btr/2btr_protein_processed_fix.pdb +0 -0
  39. 2j83/2j83_ligand.mol2 +143 -0
  40. 2j83/2j83_ligand.sdf +133 -0
  41. 2j83/2j83_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 2j83/2j83_protein_processed_fix.pdb +0 -0
  43. 2nn8/2nn8_protein_esmfold_aligned_tr_fix.pdb +1111 -0
  44. 2nn8/2nn8_protein_processed_fix.pdb +0 -0
  45. 2pcp/2pcp_ligand.mol2 +106 -0
  46. 2pcp/2pcp_ligand.sdf +96 -0
  47. 2pcp/2pcp_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2pcp/2pcp_protein_processed_fix.pdb +0 -0
  49. 2pqz/2pqz_ligand.mol2 +162 -0
  50. 2pqz/2pqz_ligand.sdf +152 -0
1azg/1azg_ligand.mol2 ADDED
@@ -0,0 +1,434 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1azg_ligand
7
+ 207 211 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 26.4200 31.7670 11.4910 N.4 1 PRO 0.2461
14
+ 2 CA 27.7770 31.1400 11.4220 C.3 1 PRO 0.0671
15
+ 3 C 27.6430 29.6630 11.0400 C.2 1 PRO 0.2293
16
+ 4 O 26.5560 29.1200 11.0350 O.2 1 PRO -0.3905
17
+ 5 CB 28.4310 31.2610 12.7980 C.3 1 PRO 0.0127
18
+ 6 CG 27.4420 31.9770 13.7080 C.3 1 PRO -0.0053
19
+ 7 CD 26.2000 32.2920 12.8740 C.3 1 PRO -0.0313
20
+ 8 N 28.7620 29.0610 10.7330 N.am 1 PRO -0.2471
21
+ 9 CA 28.8120 27.6410 10.3410 C.3 1 PRO 0.1339
22
+ 10 C 28.3040 26.7600 11.4860 C.2 1 PRO 0.2041
23
+ 11 O 28.8870 26.7140 12.5510 O.2 1 PRO -0.3944
24
+ 12 CB 30.2960 27.3640 10.0640 C.3 1 PRO -0.0104
25
+ 13 CG 31.0770 28.6800 10.3170 C.3 1 PRO -0.0281
26
+ 14 CD 30.0630 29.7500 10.7500 C.3 1 PRO 0.0371
27
+ 15 N 27.2210 26.0610 11.2760 N.am 1 ARG -0.2637
28
+ 16 CA 26.6790 25.1870 12.3530 C.3 1 ARG 0.1313
29
+ 17 C 27.8250 24.4090 13.0060 C.2 1 ARG 0.2064
30
+ 18 O 28.6770 23.8750 12.3240 O.2 1 ARG -0.3942
31
+ 19 CB 25.6740 24.2010 11.7530 C.3 1 ARG -0.0092
32
+ 20 CG 24.3990 24.9460 11.3510 C.3 1 ARG -0.0156
33
+ 21 CD 23.9360 25.8310 12.5090 C.3 1 ARG 0.0627
34
+ 22 NE 24.5310 27.1890 12.3630 N.pl3 1 ARG -0.2723
35
+ 23 CZ 24.8950 27.8590 13.4220 C.cat 1 ARG 0.2882
36
+ 24 NH1 23.9960 28.2830 14.2680 N.pl3 1 ARG -0.2849
37
+ 25 NH2 26.1590 28.1050 13.6370 N.pl3 1 ARG -0.2849
38
+ 26 N 27.8080 24.3680 14.3130 N.am 1 PRO -0.2498
39
+ 27 CA 28.8390 23.6580 15.0900 C.3 1 PRO 0.1338
40
+ 28 C 28.8230 22.1660 14.7480 C.2 1 PRO 0.2041
41
+ 29 O 29.7830 21.6270 14.2320 O.2 1 PRO -0.3944
42
+ 30 CB 28.4460 23.8780 16.5580 C.3 1 PRO -0.0104
43
+ 31 CG 27.1560 24.7380 16.5760 C.3 1 PRO -0.0281
44
+ 32 CD 26.7650 25.0250 15.1180 C.3 1 PRO 0.0369
45
+ 33 N 27.7400 21.4950 15.0300 N.am 1 LEU -0.2637
46
+ 34 CA 27.6640 20.0400 14.7200 C.3 1 LEU 0.1314
47
+ 35 C 28.6460 19.2770 15.6160 C.2 1 LEU 0.2064
48
+ 36 O 29.8250 19.2150 15.3280 O.2 1 LEU -0.3942
49
+ 37 CB 28.0310 19.8140 13.2510 C.3 1 LEU -0.0101
50
+ 38 CG 26.8110 19.2860 12.4950 C.3 1 LEU -0.0425
51
+ 39 CD1 26.9960 19.5260 10.9950 C.3 1 LEU -0.0625
52
+ 40 CD2 26.6620 17.7850 12.7560 C.3 1 LEU -0.0625
53
+ 41 N 28.1260 18.7190 16.6790 N.am 1 PRO -0.2498
54
+ 42 CA 28.9360 17.9510 17.6410 C.3 1 PRO 0.1338
55
+ 43 C 29.5770 16.7460 16.9490 C.2 1 PRO 0.2041
56
+ 44 O 28.9560 15.7170 16.7710 O.2 1 PRO -0.3944
57
+ 45 CB 27.9390 17.4900 18.7140 C.3 1 PRO -0.0104
58
+ 46 CG 26.5390 18.0260 18.3180 C.3 1 PRO -0.0281
59
+ 47 CD 26.6920 18.8090 17.0040 C.3 1 PRO 0.0369
60
+ 48 N 30.8150 16.8650 16.5550 N.am 1 VAL -0.2635
61
+ 49 CA 31.4930 15.7270 15.8740 C.3 1 VAL 0.1332
62
+ 50 C 31.1880 14.4280 16.6220 C.2 1 VAL 0.2041
63
+ 51 O 31.4280 14.3120 17.8070 O.2 1 VAL -0.3944
64
+ 52 CB 33.0030 15.9650 15.8620 C.3 1 VAL -0.0063
65
+ 53 CG1 33.7120 14.7120 15.3460 C.3 1 VAL -0.0584
66
+ 54 CG2 33.3260 17.1470 14.9450 C.3 1 VAL -0.0584
67
+ 55 N 30.6630 13.4490 15.9380 N.am 1 ALA -0.2640
68
+ 56 CA 30.3460 12.1570 16.6090 C.3 1 ALA 0.1284
69
+ 57 C 31.5460 11.7120 17.4500 C.2 1 ALA 0.2061
70
+ 58 O 32.5970 12.3190 17.3970 O.2 1 ALA -0.3942
71
+ 59 CB 30.0410 11.0960 15.5490 C.3 1 ALA -0.0244
72
+ 60 N 31.3480 10.6630 18.2040 N.am 1 PRO -0.2498
73
+ 61 CA 32.3990 10.1080 19.0760 C.3 1 PRO 0.1338
74
+ 62 C 33.6050 9.6620 18.2440 C.2 1 PRO 0.2039
75
+ 63 O 33.7450 8.5020 17.9090 O.2 1 PRO -0.3944
76
+ 64 CB 31.7420 8.9020 19.7620 C.3 1 PRO -0.0104
77
+ 65 CG 30.2850 8.8000 19.2430 C.3 1 PRO -0.0281
78
+ 66 CD 30.0610 9.9480 18.2470 C.3 1 PRO 0.0369
79
+ 67 N 34.4790 10.5730 17.9130 N.am 1 GLY -0.2664
80
+ 68 CA 35.6780 10.2020 17.1080 C.3 1 GLY 0.1201
81
+ 69 C 35.2760 9.2240 16.0030 C.2 1 GLY 0.2008
82
+ 70 O 34.1210 9.1210 15.6410 O.2 1 GLY -0.3947
83
+ 71 N 36.2220 8.5050 15.4630 N.am 1 SER -0.2618
84
+ 72 CA 35.8970 7.5330 14.3820 C.3 1 SER 0.1539
85
+ 73 C 35.3500 6.2450 15.0000 C.2 1 SER 0.2062
86
+ 74 O 36.0280 5.2380 15.0610 O.2 1 SER -0.3943
87
+ 75 CB 37.1620 7.2170 13.5850 C.3 1 SER 0.0843
88
+ 76 OG 37.4760 8.3200 12.7450 O.3 1 SER -0.3903
89
+ 77 N 34.1290 6.2660 15.4580 N.am 1 SER -0.2615
90
+ 78 CA 33.5440 5.0410 16.0710 C.3 1 SER 0.1539
91
+ 79 C 34.5250 4.4660 17.0930 C.2 1 SER 0.2062
92
+ 80 O 34.9810 3.3460 16.9700 O.2 1 SER -0.3943
93
+ 81 CB 33.2780 4.0030 14.9800 C.3 1 SER 0.0843
94
+ 82 OG 34.2550 4.1370 13.9560 O.3 1 SER -0.3903
95
+ 83 N 34.8550 5.2240 18.1020 N.am 1 LYS -0.2637
96
+ 84 CA 35.8070 4.7220 19.1320 C.3 1 LYS 0.1309
97
+ 85 C 35.0250 4.1910 20.3350 C.2 1 LYS 0.2034
98
+ 86 O 34.1570 4.8560 20.8650 O.2 1 LYS -0.3944
99
+ 87 CB 36.7200 5.8650 19.5820 C.3 1 LYS -0.0122
100
+ 88 CG 37.0180 6.7780 18.3910 C.3 1 LYS -0.0440
101
+ 89 CD 38.5130 7.0990 18.3540 C.3 1 LYS -0.0124
102
+ 90 CE 38.9840 7.1710 16.9000 C.3 1 LYS -0.0354
103
+ 91 NZ 40.4060 6.7330 16.8170 N.4 1 LYS 0.2185
104
+ 92 N 35.3230 2.9970 20.7690 N.am 1 THR -0.2670
105
+ 93 CA 34.5950 2.4260 21.9360 C.3 1 THR 0.1198
106
+ 94 C 33.1200 2.2450 21.5740 C.2 1 THR 0.0626
107
+ 95 O 32.2900 2.8480 22.2340 O.co2 1 THR -0.5665
108
+ 96 CB 34.7150 3.3790 23.1270 C.3 1 THR 0.0869
109
+ 97 OG1 36.0310 3.9120 23.1760 O.3 1 THR -0.3880
110
+ 98 CG2 34.4220 2.6200 24.4220 C.3 1 THR -0.0352
111
+ 99 OXT 32.8450 1.5080 20.6410 O.co2 1 THR -0.5665
112
+ 100 H1 25.7171 31.0776 11.2748 H 1 PRO 0.2035
113
+ 101 H2 26.3629 32.5244 10.8283 H 1 PRO 0.2035
114
+ 102 H3 28.3903 31.6597 10.6711 H 1 PRO 0.1099
115
+ 103 H4 29.3619 31.8422 12.7226 H 1 PRO 0.0347
116
+ 104 H5 28.6544 30.2609 13.1979 H 1 PRO 0.0347
117
+ 105 H6 27.8865 32.9089 14.0873 H 1 PRO 0.0320
118
+ 106 H7 27.1721 31.3284 14.5544 H 1 PRO 0.0320
119
+ 107 H8 25.3191 31.8075 13.3204 H 1 PRO 0.0814
120
+ 108 H9 26.0416 33.3799 12.8384 H 1 PRO 0.0814
121
+ 109 H10 28.2074 27.4622 9.4396 H 1 PRO 0.0802
122
+ 110 H11 30.4289 27.0445 9.0199 H 1 PRO 0.0313
123
+ 111 H12 30.6621 26.5757 10.7382 H 1 PRO 0.0313
124
+ 112 H13 31.5852 28.9972 9.3944 H 1 PRO 0.0287
125
+ 113 H14 31.8219 28.5266 11.1117 H 1 PRO 0.0287
126
+ 114 H15 30.2943 30.1171 11.7608 H 1 PRO 0.0524
127
+ 115 H16 30.0643 30.5937 10.0442 H 1 PRO 0.0524
128
+ 116 H17 26.7559 26.1127 10.3923 H 1 ARG 0.1883
129
+ 117 H18 26.1775 25.8070 13.1107 H 1 ARG 0.0800
130
+ 118 H19 25.4278 23.4305 12.4984 H 1 ARG 0.0313
131
+ 119 H20 26.1146 23.7245 10.8649 H 1 ARG 0.0313
132
+ 120 H21 23.6106 24.2182 11.1085 H 1 ARG 0.0301
133
+ 121 H22 24.6032 25.5726 10.4703 H 1 ARG 0.0301
134
+ 122 H23 24.2614 25.3884 13.4620 H 1 ARG 0.0689
135
+ 123 H24 22.8388 25.9079 12.4961 H 1 ARG 0.0689
136
+ 124 H25 24.6550 27.5990 11.4263 H 1 ARG 0.2642
137
+ 125 H26 24.2841 28.8118 15.1037 H 1 ARG 0.2615
138
+ 126 H27 22.9985 28.0888 14.0999 H 1 ARG 0.2615
139
+ 127 H28 26.8694 27.7709 12.9701 H 1 ARG 0.2615
140
+ 128 H29 26.4459 28.6331 14.4735 H 1 ARG 0.2615
141
+ 129 H30 29.8369 24.0740 14.8874 H 1 PRO 0.0802
142
+ 130 H31 29.2542 24.4036 17.0876 H 1 PRO 0.0313
143
+ 131 H32 28.2577 22.9097 17.0447 H 1 PRO 0.0313
144
+ 132 H33 27.3433 25.6832 17.1065 H 1 PRO 0.0287
145
+ 133 H34 26.3468 24.1889 17.0796 H 1 PRO 0.0287
146
+ 134 H35 25.7758 24.6007 14.8914 H 1 PRO 0.0524
147
+ 135 H36 26.7522 26.1081 14.9263 H 1 PRO 0.0524
148
+ 136 H37 26.9613 21.9574 15.4541 H 1 LEU 0.1883
149
+ 137 H38 26.6417 19.6776 14.9033 H 1 LEU 0.0800
150
+ 138 H39 28.8480 19.0804 13.1861 H 1 LEU 0.0315
151
+ 139 H40 28.3557 20.7651 12.8039 H 1 LEU 0.0315
152
+ 140 H41 25.9086 19.8106 12.8421 H 1 LEU 0.0298
153
+ 141 H42 26.1181 19.1460 10.4519 H 1 LEU 0.0232
154
+ 142 H43 27.8977 19.0002 10.6480 H 1 LEU 0.0232
155
+ 143 H44 27.1050 20.6043 10.8069 H 1 LEU 0.0232
156
+ 144 H45 26.5290 17.6118 13.8341 H 1 LEU 0.0232
157
+ 145 H46 27.5649 17.2611 12.4091 H 1 LEU 0.0232
158
+ 146 H47 25.7851 17.4036 12.2124 H 1 LEU 0.0232
159
+ 147 H48 29.7197 18.5831 18.0840 H 1 PRO 0.0802
160
+ 148 H49 28.2309 17.8935 19.6948 H 1 PRO 0.0313
161
+ 149 H50 27.9200 16.3912 18.7604 H 1 PRO 0.0313
162
+ 150 H51 26.1552 18.6896 19.1068 H 1 PRO 0.0287
163
+ 151 H52 25.8432 17.1862 18.1746 H 1 PRO 0.0287
164
+ 152 H53 26.0846 18.3533 16.2081 H 1 PRO 0.0524
165
+ 153 H54 26.3904 19.8580 17.1404 H 1 PRO 0.0524
166
+ 154 H55 31.3089 17.7205 16.7103 H 1 VAL 0.1883
167
+ 155 H56 31.1265 15.6487 14.8398 H 1 VAL 0.0802
168
+ 156 H57 33.3475 16.1876 16.8827 H 1 VAL 0.0343
169
+ 157 H58 34.7986 14.8830 15.3372 H 1 VAL 0.0234
170
+ 158 H59 33.3676 14.4899 14.3252 H 1 VAL 0.0234
171
+ 159 H60 33.4799 13.8619 16.0044 H 1 VAL 0.0234
172
+ 160 H61 32.8163 18.0486 15.3157 H 1 VAL 0.0234
173
+ 161 H62 32.9812 16.9243 13.9245 H 1 VAL 0.0234
174
+ 162 H63 34.4126 17.3178 14.9358 H 1 VAL 0.0234
175
+ 163 H64 30.4733 13.5657 14.9631 H 1 ALA 0.1883
176
+ 164 H65 29.4695 12.2869 17.2608 H 1 ALA 0.0797
177
+ 165 H66 29.8067 10.1413 16.0426 H 1 ALA 0.0277
178
+ 166 H67 30.9175 10.9663 14.8972 H 1 ALA 0.0277
179
+ 167 H68 29.1795 11.4177 14.9454 H 1 ALA 0.0277
180
+ 168 H69 32.7197 10.8516 19.8205 H 1 PRO 0.0802
181
+ 169 H70 31.7419 9.0456 20.8526 H 1 PRO 0.0313
182
+ 170 H71 32.2934 7.9833 19.5132 H 1 PRO 0.0313
183
+ 171 H72 29.5810 8.8907 20.0833 H 1 PRO 0.0287
184
+ 172 H73 30.1334 7.8334 18.7404 H 1 PRO 0.0287
185
+ 173 H74 29.8028 9.5541 17.2530 H 1 PRO 0.0524
186
+ 174 H75 29.2588 10.6142 18.5972 H 1 PRO 0.0524
187
+ 175 H76 34.3443 11.5215 18.1998 H 1 GLY 0.1881
188
+ 176 H77 36.4247 9.7277 17.7618 H 1 GLY 0.0763
189
+ 177 H78 36.1089 11.1074 16.6557 H 1 GLY 0.0763
190
+ 178 H79 37.1665 8.6068 15.7754 H 1 SER 0.1884
191
+ 179 H80 35.1407 7.9685 13.7125 H 1 SER 0.0823
192
+ 180 H81 36.9937 6.3218 12.9683 H 1 SER 0.0606
193
+ 181 H82 37.9965 7.0335 14.2777 H 1 SER 0.0606
194
+ 182 H83 38.2623 8.1250 12.2488 H 1 SER 0.2097
195
+ 183 H84 33.5861 7.1037 15.3977 H 1 SER 0.1884
196
+ 184 H85 32.5990 5.2967 16.5726 H 1 SER 0.0823
197
+ 185 H86 32.2762 4.1646 14.5554 H 1 SER 0.0606
198
+ 186 H87 33.3347 2.9930 15.4120 H 1 SER 0.0606
199
+ 187 H88 35.1195 3.9976 14.3245 H 1 SER 0.2097
200
+ 188 H89 34.4687 6.1427 18.1842 H 1 LYS 0.1883
201
+ 189 H90 36.4165 3.9122 18.7044 H 1 LYS 0.0800
202
+ 190 H91 37.6618 5.4507 19.9711 H 1 LYS 0.0312
203
+ 191 H92 36.2201 6.4444 20.3722 H 1 LYS 0.0312
204
+ 192 H93 36.4453 7.7116 18.4927 H 1 LYS 0.0269
205
+ 193 H94 36.7292 6.2703 17.4589 H 1 LYS 0.0269
206
+ 194 H95 39.0703 6.3107 18.8812 H 1 LYS 0.0317
207
+ 195 H96 38.6925 8.0665 18.8457 H 1 LYS 0.0317
208
+ 196 H97 38.8972 8.2058 16.5371 H 1 LYS 0.0813
209
+ 197 H98 38.3602 6.5111 16.2792 H 1 LYS 0.0813
210
+ 198 H99 40.7167 6.7803 15.8593 H 1 LYS 0.1994
211
+ 199 H100 40.4855 5.7848 17.1496 H 1 LYS 0.1994
212
+ 200 H101 40.9776 7.3377 17.3859 H 1 LYS 0.1994
213
+ 201 H102 36.0401 2.4655 20.3181 H 1 THR 0.1876
214
+ 202 H103 35.0309 1.4513 22.2003 H 1 THR 0.0752
215
+ 203 H104 33.9918 4.1999 23.0129 H 1 THR 0.0632
216
+ 204 H105 36.2100 4.3850 22.3719 H 1 THR 0.2100
217
+ 205 H106 34.5087 3.3066 25.2770 H 1 THR 0.0256
218
+ 206 H107 35.1442 1.7983 24.5369 H 1 THR 0.0256
219
+ 207 H108 33.4023 2.2092 24.3836 H 1 THR 0.0256
220
+ @<TRIPOS>BOND
221
+ 1 1 2 1
222
+ 2 1 7 1
223
+ 3 2 3 1
224
+ 4 2 5 1
225
+ 5 3 4 2
226
+ 6 3 8 am
227
+ 7 5 6 1
228
+ 8 6 7 1
229
+ 9 8 9 1
230
+ 10 8 14 1
231
+ 11 9 10 1
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+ M END
424
+ $$$$
1azg/1azg_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,471 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C VAL A 1 7.834 10.738 7.763 1.00 75.25 C
2
+ ATOM 2 CA VAL A 1 6.432 11.340 7.708 1.00 73.13 C
3
+ ATOM 3 CB VAL A 1 5.650 10.987 8.994 1.00 65.72 C
4
+ ATOM 4 CG1 VAL A 1 6.369 11.526 10.228 1.00 54.27 C
5
+ ATOM 5 CG2 VAL A 1 4.226 11.535 8.918 1.00 54.97 C
6
+ ATOM 6 N VAL A 1 5.740 10.869 6.513 1.00 71.70 N
7
+ ATOM 7 O VAL A 1 7.994 9.515 7.734 1.00 67.30 O
8
+ ATOM 8 C THR A 2 10.730 10.906 9.093 1.00 87.40 C
9
+ ATOM 9 CA THR A 2 10.251 11.050 7.652 1.00 84.54 C
10
+ ATOM 10 CB THR A 2 11.211 11.974 6.880 1.00 79.28 C
11
+ ATOM 11 CG2 THR A 2 12.581 11.325 6.707 1.00 68.46 C
12
+ ATOM 12 N THR A 2 8.884 11.553 7.608 1.00 83.98 N
13
+ ATOM 13 O THR A 2 10.808 11.893 9.829 1.00 85.12 O
14
+ ATOM 14 OG1 THR A 2 10.660 12.252 5.586 1.00 65.83 O
15
+ ATOM 15 C LEU A 3 12.754 9.295 11.041 1.00 94.01 C
16
+ ATOM 16 CA LEU A 3 11.245 9.507 10.995 1.00 93.52 C
17
+ ATOM 17 CB LEU A 3 10.526 8.259 11.511 1.00 91.02 C
18
+ ATOM 18 CD1 LEU A 3 8.414 7.035 12.087 1.00 71.82 C
19
+ ATOM 19 CD2 LEU A 3 8.748 9.396 12.870 1.00 72.13 C
20
+ ATOM 20 CG LEU A 3 9.022 8.395 11.754 1.00 81.09 C
21
+ ATOM 21 N LEU A 3 10.806 9.826 9.640 1.00 92.84 N
22
+ ATOM 22 O LEU A 3 13.328 8.687 10.134 1.00 93.27 O
23
+ ATOM 23 C PHE A 4 15.062 9.176 13.769 1.00 95.04 C
24
+ ATOM 24 CA PHE A 4 14.813 9.675 12.351 1.00 95.11 C
25
+ ATOM 25 CB PHE A 4 15.510 11.024 12.140 1.00 94.41 C
26
+ ATOM 26 CD1 PHE A 4 16.812 11.390 10.019 1.00 87.71 C
27
+ ATOM 27 CD2 PHE A 4 14.471 11.882 10.018 1.00 87.68 C
28
+ ATOM 28 CE1 PHE A 4 16.898 11.775 8.683 1.00 89.21 C
29
+ ATOM 29 CE2 PHE A 4 14.551 12.269 8.683 1.00 88.59 C
30
+ ATOM 30 CG PHE A 4 15.600 11.440 10.696 1.00 91.86 C
31
+ ATOM 31 CZ PHE A 4 15.764 12.216 8.018 1.00 87.89 C
32
+ ATOM 32 N PHE A 4 13.384 9.789 12.086 1.00 94.61 N
33
+ ATOM 33 O PHE A 4 14.222 9.355 14.654 1.00 94.58 O
34
+ ATOM 34 C VAL A 5 17.854 8.496 15.753 1.00 95.91 C
35
+ ATOM 35 CA VAL A 5 16.501 7.931 15.327 1.00 95.88 C
36
+ ATOM 36 CB VAL A 5 16.542 6.387 15.332 1.00 95.15 C
37
+ ATOM 37 CG1 VAL A 5 17.602 5.871 14.360 1.00 89.58 C
38
+ ATOM 38 CG2 VAL A 5 16.809 5.866 16.744 1.00 88.79 C
39
+ ATOM 39 N VAL A 5 16.139 8.453 14.013 1.00 95.61 N
40
+ ATOM 40 O VAL A 5 18.758 8.646 14.928 1.00 95.57 O
41
+ ATOM 41 C ALA A 6 20.286 8.332 17.623 1.00 96.29 C
42
+ ATOM 42 CA ALA A 6 19.194 9.397 17.568 1.00 96.33 C
43
+ ATOM 43 CB ALA A 6 18.952 9.980 18.958 1.00 95.91 C
44
+ ATOM 44 N ALA A 6 17.954 8.851 17.023 1.00 96.03 N
45
+ ATOM 45 O ALA A 6 20.073 7.245 18.166 1.00 95.97 O
46
+ ATOM 46 C LEU A 7 23.473 7.990 18.353 1.00 96.55 C
47
+ ATOM 47 CA LEU A 7 22.629 7.775 17.101 1.00 96.75 C
48
+ ATOM 48 CB LEU A 7 23.487 7.989 15.851 1.00 96.26 C
49
+ ATOM 49 CD1 LEU A 7 23.722 8.119 13.358 1.00 87.42 C
50
+ ATOM 50 CD2 LEU A 7 22.450 6.223 14.401 1.00 87.01 C
51
+ ATOM 51 CG LEU A 7 22.813 7.699 14.509 1.00 93.27 C
52
+ ATOM 52 N LEU A 7 21.477 8.670 17.091 1.00 96.85 N
53
+ ATOM 53 O LEU A 7 24.210 7.095 18.772 1.00 95.86 O
54
+ ATOM 54 C TYR A 8 23.351 10.413 21.044 1.00 95.64 C
55
+ ATOM 55 CA TYR A 8 24.197 9.623 20.053 1.00 95.93 C
56
+ ATOM 56 CB TYR A 8 25.395 10.464 19.602 1.00 95.40 C
57
+ ATOM 57 CD1 TYR A 8 27.103 8.773 18.824 1.00 89.55 C
58
+ ATOM 58 CD2 TYR A 8 26.130 10.231 17.200 1.00 89.46 C
59
+ ATOM 59 CE1 TYR A 8 27.870 8.170 17.832 1.00 89.84 C
60
+ ATOM 60 CE2 TYR A 8 26.892 9.635 16.201 1.00 88.61 C
61
+ ATOM 61 CG TYR A 8 26.224 9.812 18.523 1.00 93.09 C
62
+ ATOM 62 CZ TYR A 8 27.758 8.607 16.526 1.00 87.75 C
63
+ ATOM 63 N TYR A 8 23.402 9.207 18.903 1.00 95.81 N
64
+ ATOM 64 O TYR A 8 22.326 10.989 20.674 1.00 95.09 O
65
+ ATOM 65 OH TYR A 8 28.515 8.013 15.541 1.00 85.60 O
66
+ ATOM 66 C ASP A 9 23.625 12.830 22.794 1.00 95.44 C
67
+ ATOM 67 CA ASP A 9 23.244 11.416 23.227 1.00 95.78 C
68
+ ATOM 68 CB ASP A 9 23.757 11.142 24.641 1.00 95.22 C
69
+ ATOM 69 CG ASP A 9 23.240 9.835 25.217 1.00 92.84 C
70
+ ATOM 70 N ASP A 9 23.765 10.423 22.292 1.00 95.74 N
71
+ ATOM 71 O ASP A 9 24.687 13.040 22.204 1.00 94.80 O
72
+ ATOM 72 OD1 ASP A 9 22.253 9.282 24.686 1.00 90.43 O
73
+ ATOM 73 OD2 ASP A 9 23.824 9.355 26.213 1.00 89.88 O
74
+ ATOM 74 C TYR A 10 22.528 15.996 23.957 1.00 95.41 C
75
+ ATOM 75 CA TYR A 10 23.076 15.130 22.829 1.00 95.89 C
76
+ ATOM 76 CB TYR A 10 22.509 15.602 21.487 1.00 95.60 C
77
+ ATOM 77 CD1 TYR A 10 24.129 17.356 20.664 1.00 91.91 C
78
+ ATOM 78 CD2 TYR A 10 21.936 18.053 21.306 1.00 91.42 C
79
+ ATOM 79 CE1 TYR A 10 24.462 18.670 20.350 1.00 91.55 C
80
+ ATOM 80 CE2 TYR A 10 22.257 19.370 20.995 1.00 91.26 C
81
+ ATOM 81 CG TYR A 10 22.863 17.029 21.146 1.00 94.27 C
82
+ ATOM 82 CZ TYR A 10 23.521 19.669 20.518 1.00 90.34 C
83
+ ATOM 83 N TYR A 10 22.762 13.723 23.051 1.00 95.86 N
84
+ ATOM 84 O TYR A 10 21.357 15.879 24.325 1.00 94.51 O
85
+ ATOM 85 OH TYR A 10 23.844 20.971 20.210 1.00 86.35 O
86
+ ATOM 86 C GLU A 11 22.781 19.219 24.837 1.00 94.77 C
87
+ ATOM 87 CA GLU A 11 22.926 17.842 25.480 1.00 94.96 C
88
+ ATOM 88 CB GLU A 11 23.929 17.906 26.635 1.00 93.21 C
89
+ ATOM 89 CD GLU A 11 24.425 18.740 28.982 1.00 75.86 C
90
+ ATOM 90 CG GLU A 11 23.469 18.769 27.802 1.00 80.84 C
91
+ ATOM 91 N GLU A 11 23.337 16.842 24.499 1.00 94.94 N
92
+ ATOM 92 O GLU A 11 23.715 19.715 24.202 1.00 93.89 O
93
+ ATOM 93 OE1 GLU A 11 25.358 17.904 28.989 1.00 73.01 O
94
+ ATOM 94 OE2 GLU A 11 24.241 19.559 29.911 1.00 71.20 O
95
+ ATOM 95 C ALA A 12 22.286 22.210 24.860 1.00 93.43 C
96
+ ATOM 96 CA ALA A 12 21.269 21.152 24.444 1.00 94.33 C
97
+ ATOM 97 CB ALA A 12 19.860 21.590 24.832 1.00 93.26 C
98
+ ATOM 98 N ALA A 12 21.583 19.857 25.044 1.00 94.14 N
99
+ ATOM 99 O ALA A 12 22.660 22.295 26.033 1.00 91.89 O
100
+ ATOM 100 C ARG A 13 23.069 25.472 24.079 1.00 91.17 C
101
+ ATOM 101 CA ARG A 13 23.705 24.085 24.101 1.00 91.97 C
102
+ ATOM 102 CB ARG A 13 24.839 24.013 23.077 1.00 89.58 C
103
+ ATOM 103 CD ARG A 13 26.720 22.679 22.062 1.00 76.49 C
104
+ ATOM 104 CG ARG A 13 25.635 22.719 23.129 1.00 80.00 C
105
+ ATOM 105 CZ ARG A 13 28.349 21.048 21.168 1.00 69.62 C
106
+ ATOM 106 N ARG A 13 22.711 23.049 23.841 1.00 92.50 N
107
+ ATOM 107 NE ARG A 13 27.427 21.402 22.060 1.00 72.13 N
108
+ ATOM 108 NH1 ARG A 13 28.693 21.870 20.185 1.00 60.55 N
109
+ ATOM 109 NH2 ARG A 13 28.930 19.861 21.259 1.00 55.48 N
110
+ ATOM 110 O ARG A 13 23.684 26.449 24.511 1.00 88.78 O
111
+ ATOM 111 C THR A 14 19.626 26.449 23.908 1.00 91.24 C
112
+ ATOM 112 CA THR A 14 21.063 26.757 23.498 1.00 91.47 C
113
+ ATOM 113 CB THR A 14 21.071 27.442 22.118 1.00 89.65 C
114
+ ATOM 114 CG2 THR A 14 22.487 27.547 21.564 1.00 80.26 C
115
+ ATOM 115 N THR A 14 21.870 25.542 23.489 1.00 91.90 N
116
+ ATOM 116 O THR A 14 19.223 25.284 23.952 1.00 89.88 O
117
+ ATOM 117 OG1 THR A 14 20.269 26.679 21.208 1.00 78.90 O
118
+ ATOM 118 C GLU A 15 16.727 26.690 23.461 1.00 89.57 C
119
+ ATOM 119 CA GLU A 15 17.553 27.270 24.605 1.00 90.19 C
120
+ ATOM 120 CB GLU A 15 16.948 28.597 25.071 1.00 86.93 C
121
+ ATOM 121 CD GLU A 15 16.821 30.358 26.897 1.00 72.04 C
122
+ ATOM 122 CG GLU A 15 17.502 29.094 26.397 1.00 75.74 C
123
+ ATOM 123 N GLU A 15 18.947 27.453 24.210 1.00 90.61 N
124
+ ATOM 124 O GLU A 15 15.653 26.126 23.686 1.00 87.25 O
125
+ ATOM 125 OE1 GLU A 15 15.984 30.927 26.161 1.00 69.24 O
126
+ ATOM 126 OE2 GLU A 15 17.129 30.783 28.033 1.00 66.42 O
127
+ ATOM 127 C ASP A 16 16.649 24.890 20.762 1.00 92.61 C
128
+ ATOM 128 CA ASP A 16 16.372 26.353 21.105 1.00 92.43 C
129
+ ATOM 129 CB ASP A 16 16.670 27.242 19.896 1.00 90.50 C
130
+ ATOM 130 CG ASP A 16 16.144 28.658 20.058 1.00 82.57 C
131
+ ATOM 131 N ASP A 16 17.154 26.779 22.260 1.00 92.29 N
132
+ ATOM 132 O ASP A 16 15.931 24.288 19.962 1.00 91.53 O
133
+ ATOM 133 OD1 ASP A 16 15.149 28.860 20.788 1.00 75.71 O
134
+ ATOM 134 OD2 ASP A 16 16.728 29.579 19.449 1.00 80.80 O
135
+ ATOM 135 C ASP A 17 17.306 21.899 21.907 1.00 94.03 C
136
+ ATOM 136 CA ASP A 17 18.126 22.889 21.082 1.00 94.19 C
137
+ ATOM 137 CB ASP A 17 19.620 22.668 21.330 1.00 92.78 C
138
+ ATOM 138 CG ASP A 17 20.502 23.448 20.370 1.00 86.21 C
139
+ ATOM 139 N ASP A 17 17.754 24.267 21.392 1.00 93.73 N
140
+ ATOM 140 O ASP A 17 16.795 22.247 22.974 1.00 93.30 O
141
+ ATOM 141 OD1 ASP A 17 19.970 24.099 19.445 1.00 82.62 O
142
+ ATOM 142 OD2 ASP A 17 21.740 23.410 20.539 1.00 85.29 O
143
+ ATOM 143 C LEU A 18 17.793 18.815 22.795 1.00 94.93 C
144
+ ATOM 144 CA LEU A 18 16.653 19.627 22.192 1.00 95.11 C
145
+ ATOM 145 CB LEU A 18 15.770 18.723 21.327 1.00 94.37 C
146
+ ATOM 146 CD1 LEU A 18 13.748 18.381 19.884 1.00 84.11 C
147
+ ATOM 147 CD2 LEU A 18 13.528 19.560 22.089 1.00 84.02 C
148
+ ATOM 148 CG LEU A 18 14.429 19.310 20.883 1.00 90.69 C
149
+ ATOM 149 N LEU A 18 17.168 20.742 21.404 1.00 95.00 N
150
+ ATOM 150 O LEU A 18 18.823 18.608 22.150 1.00 94.26 O
151
+ ATOM 151 C SER A 19 17.822 16.026 24.271 1.00 95.11 C
152
+ ATOM 152 CA SER A 19 18.476 17.374 24.554 1.00 95.21 C
153
+ ATOM 153 CB SER A 19 18.679 17.546 26.060 1.00 94.31 C
154
+ ATOM 154 N SER A 19 17.677 18.472 24.016 1.00 94.89 N
155
+ ATOM 155 O SER A 19 16.598 15.897 24.337 1.00 94.70 O
156
+ ATOM 156 OG SER A 19 19.420 18.722 26.336 1.00 89.98 O
157
+ ATOM 157 C PHE A 20 19.014 12.632 23.960 1.00 95.59 C
158
+ ATOM 158 CA PHE A 20 17.981 13.728 23.726 1.00 95.76 C
159
+ ATOM 159 CB PHE A 20 17.450 13.651 22.291 1.00 95.63 C
160
+ ATOM 160 CD1 PHE A 20 18.386 15.369 20.710 1.00 94.56 C
161
+ ATOM 161 CD2 PHE A 20 19.439 13.225 20.814 1.00 94.27 C
162
+ ATOM 162 CE1 PHE A 20 19.306 15.779 19.747 1.00 93.91 C
163
+ ATOM 163 CE2 PHE A 20 20.362 13.627 19.853 1.00 94.08 C
164
+ ATOM 164 CG PHE A 20 18.445 14.091 21.251 1.00 95.38 C
165
+ ATOM 165 CZ PHE A 20 20.293 14.904 19.320 1.00 93.47 C
166
+ ATOM 166 N PHE A 20 18.553 15.043 23.992 1.00 95.47 N
167
+ ATOM 167 O PHE A 20 20.213 12.908 24.032 1.00 95.02 O
168
+ ATOM 168 C HIS A 21 19.376 9.367 23.072 1.00 95.56 C
169
+ ATOM 169 CA HIS A 21 19.331 10.232 24.327 1.00 95.53 C
170
+ ATOM 170 CB HIS A 21 18.805 9.416 25.509 1.00 93.98 C
171
+ ATOM 171 CD2 HIS A 21 17.893 10.782 27.517 1.00 70.97 C
172
+ ATOM 172 CE1 HIS A 21 19.767 10.972 28.641 1.00 71.48 C
173
+ ATOM 173 CG HIS A 21 18.859 10.146 26.813 1.00 82.79 C
174
+ ATOM 174 N HIS A 21 18.510 11.420 24.119 1.00 95.33 N
175
+ ATOM 175 ND1 HIS A 21 20.021 10.283 27.541 1.00 70.46 N
176
+ ATOM 176 NE2 HIS A 21 18.483 11.287 28.650 1.00 74.98 N
177
+ ATOM 177 O HIS A 21 18.440 9.383 22.268 1.00 95.08 O
178
+ ATOM 178 C LYS A 22 19.287 6.744 21.836 1.00 95.37 C
179
+ ATOM 179 CA LYS A 22 20.545 7.606 21.907 1.00 95.77 C
180
+ ATOM 180 CB LYS A 22 21.779 6.720 22.088 1.00 94.99 C
181
+ ATOM 181 CD LYS A 22 23.185 4.811 21.242 1.00 89.30 C
182
+ ATOM 182 CE LYS A 22 23.341 3.744 20.167 1.00 87.43 C
183
+ ATOM 183 CG LYS A 22 21.975 5.698 20.978 1.00 91.50 C
184
+ ATOM 184 N LYS A 22 20.453 8.583 22.988 1.00 95.66 N
185
+ ATOM 185 NZ LYS A 22 24.542 2.889 20.406 1.00 84.09 N
186
+ ATOM 186 O LYS A 22 18.809 6.251 22.859 1.00 94.65 O
187
+ ATOM 187 C GLY A 23 16.287 6.494 20.384 1.00 94.89 C
188
+ ATOM 188 CA GLY A 23 17.601 5.734 20.429 1.00 95.43 C
189
+ ATOM 189 N GLY A 23 18.753 6.596 20.636 1.00 95.51 N
190
+ ATOM 190 O GLY A 23 15.259 5.942 19.988 1.00 93.72 O
191
+ ATOM 191 C GLU A 24 14.672 8.727 19.302 1.00 95.68 C
192
+ ATOM 192 CA GLU A 24 15.043 8.459 20.758 1.00 95.86 C
193
+ ATOM 193 CB GLU A 24 15.197 9.783 21.512 1.00 94.83 C
194
+ ATOM 194 CD GLU A 24 14.982 10.959 23.754 1.00 79.79 C
195
+ ATOM 195 CG GLU A 24 15.158 9.636 23.027 1.00 85.33 C
196
+ ATOM 196 N GLU A 24 16.266 7.668 20.856 1.00 95.90 N
197
+ ATOM 197 O GLU A 24 15.551 8.893 18.453 1.00 95.05 O
198
+ ATOM 198 OE1 GLU A 24 14.475 11.926 23.141 1.00 79.32 O
199
+ ATOM 199 OE2 GLU A 24 15.355 11.030 24.946 1.00 79.01 O
200
+ ATOM 200 C LYS A 25 12.314 10.329 17.408 1.00 95.68 C
201
+ ATOM 201 CA LYS A 25 12.886 8.926 17.587 1.00 95.66 C
202
+ ATOM 202 CB LYS A 25 11.826 7.880 17.238 1.00 94.72 C
203
+ ATOM 203 CD LYS A 25 11.265 5.465 16.804 1.00 84.21 C
204
+ ATOM 204 CE LYS A 25 11.778 4.030 16.822 1.00 77.96 C
205
+ ATOM 205 CG LYS A 25 12.350 6.452 17.218 1.00 87.71 C
206
+ ATOM 206 N LYS A 25 13.374 8.727 18.948 1.00 95.57 N
207
+ ATOM 207 NZ LYS A 25 10.690 3.051 16.522 1.00 69.92 N
208
+ ATOM 208 O LYS A 25 11.714 10.884 18.330 1.00 95.32 O
209
+ ATOM 209 C PHE A 26 11.231 12.325 14.633 1.00 94.93 C
210
+ ATOM 210 CA PHE A 26 12.025 12.251 15.931 1.00 95.67 C
211
+ ATOM 211 CB PHE A 26 13.272 13.134 15.834 1.00 95.33 C
212
+ ATOM 212 CD1 PHE A 26 13.664 14.066 18.138 1.00 91.96 C
213
+ ATOM 213 CD2 PHE A 26 15.198 12.438 17.292 1.00 91.65 C
214
+ ATOM 214 CE1 PHE A 26 14.392 14.142 19.324 1.00 92.94 C
215
+ ATOM 215 CE2 PHE A 26 15.930 12.509 18.474 1.00 93.18 C
216
+ ATOM 216 CG PHE A 26 14.061 13.215 17.114 1.00 94.32 C
217
+ ATOM 217 CZ PHE A 26 15.526 13.363 19.489 1.00 92.37 C
218
+ ATOM 218 N PHE A 26 12.395 10.873 16.235 1.00 95.39 N
219
+ ATOM 219 O PHE A 26 11.470 11.546 13.706 1.00 93.87 O
220
+ ATOM 220 C GLN A 27 10.460 14.994 12.934 1.00 94.87 C
221
+ ATOM 221 CA GLN A 27 9.755 13.708 13.356 1.00 94.74 C
222
+ ATOM 222 CB GLN A 27 8.256 13.960 13.525 1.00 93.48 C
223
+ ATOM 223 CD GLN A 27 6.077 14.662 12.444 1.00 81.61 C
224
+ ATOM 224 CG GLN A 27 7.565 14.434 12.254 1.00 85.67 C
225
+ ATOM 225 N GLN A 27 10.327 13.174 14.588 1.00 94.82 N
226
+ ATOM 226 NE2 GLN A 27 5.365 14.874 11.344 1.00 73.40 N
227
+ ATOM 227 O GLN A 27 10.526 15.953 13.706 1.00 94.35 O
228
+ ATOM 228 OE1 GLN A 27 5.573 14.646 13.572 1.00 77.21 O
229
+ ATOM 229 C ILE A 28 10.681 17.167 10.696 1.00 92.54 C
230
+ ATOM 230 CA ILE A 28 11.709 16.188 11.259 1.00 93.13 C
231
+ ATOM 231 CB ILE A 28 12.764 15.840 10.184 1.00 92.07 C
232
+ ATOM 232 CD1 ILE A 28 14.487 15.209 11.972 1.00 83.49 C
233
+ ATOM 233 CG1 ILE A 28 13.740 14.785 10.715 1.00 87.41 C
234
+ ATOM 234 CG2 ILE A 28 13.510 17.099 9.733 1.00 86.46 C
235
+ ATOM 235 N ILE A 28 11.033 14.992 11.749 1.00 92.91 N
236
+ ATOM 236 O ILE A 28 9.918 16.824 9.790 1.00 91.36 O
237
+ ATOM 237 C LEU A 29 10.242 20.398 9.835 1.00 91.33 C
238
+ ATOM 238 CA LEU A 29 9.665 19.453 10.884 1.00 92.04 C
239
+ ATOM 239 CB LEU A 29 9.243 20.246 12.123 1.00 91.54 C
240
+ ATOM 240 CD1 LEU A 29 8.387 20.338 14.479 1.00 86.92 C
241
+ ATOM 241 CD2 LEU A 29 7.392 18.711 12.847 1.00 86.65 C
242
+ ATOM 242 CG LEU A 29 8.663 19.433 13.282 1.00 89.72 C
243
+ ATOM 243 N LEU A 29 10.633 18.422 11.243 1.00 92.33 N
244
+ ATOM 244 O LEU A 29 9.506 20.929 9.000 1.00 89.80 O
245
+ ATOM 245 C ASN A 30 13.746 21.044 8.791 1.00 90.84 C
246
+ ATOM 246 CA ASN A 30 12.279 21.436 8.941 1.00 91.04 C
247
+ ATOM 247 CB ASN A 30 12.161 22.899 9.376 1.00 88.87 C
248
+ ATOM 248 CG ASN A 30 12.674 23.864 8.326 1.00 79.76 C
249
+ ATOM 249 N ASN A 30 11.584 20.564 9.881 1.00 90.65 N
250
+ ATOM 250 ND2 ASN A 30 12.424 25.152 8.531 1.00 72.23 N
251
+ ATOM 251 O ASN A 30 14.500 21.063 9.766 1.00 89.51 O
252
+ ATOM 252 OD1 ASN A 30 13.290 23.455 7.338 1.00 74.22 O
253
+ ATOM 253 C SER A 31 16.123 21.311 6.258 1.00 87.96 C
254
+ ATOM 254 CA SER A 31 15.510 20.374 7.293 1.00 89.87 C
255
+ ATOM 255 CB SER A 31 15.558 18.934 6.783 1.00 87.84 C
256
+ ATOM 256 N SER A 31 14.138 20.760 7.608 1.00 90.00 N
257
+ ATOM 257 O SER A 31 17.148 20.989 5.653 1.00 83.46 O
258
+ ATOM 258 OG SER A 31 14.806 18.798 5.589 1.00 83.18 O
259
+ ATOM 259 C SER A 32 17.067 24.139 5.065 1.00 84.23 C
260
+ ATOM 260 CA SER A 32 15.855 23.258 4.777 1.00 86.42 C
261
+ ATOM 261 CB SER A 32 14.676 24.127 4.337 1.00 82.83 C
262
+ ATOM 262 N SER A 32 15.493 22.458 5.942 1.00 87.23 N
263
+ ATOM 263 O SER A 32 17.750 24.585 4.141 1.00 78.41 O
264
+ ATOM 264 OG SER A 32 14.284 25.008 5.377 1.00 68.89 O
265
+ ATOM 265 C GLU A 33 19.425 24.773 7.586 1.00 74.19 C
266
+ ATOM 266 CA GLU A 33 18.412 25.296 6.573 1.00 73.89 C
267
+ ATOM 267 CB GLU A 33 17.765 26.583 7.093 1.00 68.22 C
268
+ ATOM 268 CD GLU A 33 16.524 28.719 6.503 1.00 61.89 C
269
+ ATOM 269 CG GLU A 33 16.977 27.345 6.037 1.00 62.94 C
270
+ ATOM 270 N GLU A 33 17.393 24.292 6.279 1.00 75.29 N
271
+ ATOM 271 O GLU A 33 19.071 24.462 8.724 1.00 67.80 O
272
+ ATOM 272 OE1 GLU A 33 16.840 29.106 7.650 1.00 60.90 O
273
+ ATOM 273 OE2 GLU A 33 15.848 29.415 5.712 1.00 57.08 O
274
+ ATOM 274 C GLY A 34 21.874 22.800 8.343 1.00 87.13 C
275
+ ATOM 275 CA GLY A 34 21.812 24.179 7.715 1.00 86.35 C
276
+ ATOM 276 N GLY A 34 20.603 24.400 6.938 1.00 86.27 N
277
+ ATOM 277 O GLY A 34 21.293 21.846 7.818 1.00 83.51 O
278
+ ATOM 278 C ASP A 35 22.326 21.069 11.185 1.00 93.18 C
279
+ ATOM 279 CA ASP A 35 23.196 21.344 9.962 1.00 92.46 C
280
+ ATOM 280 CB ASP A 35 24.674 21.346 10.357 1.00 89.80 C
281
+ ATOM 281 CG ASP A 35 25.609 21.309 9.161 1.00 80.63 C
282
+ ATOM 282 N ASP A 35 22.832 22.611 9.333 1.00 91.87 N
283
+ ATOM 283 O ASP A 35 22.468 20.029 11.833 1.00 92.28 O
284
+ ATOM 284 OD1 ASP A 35 25.208 20.805 8.090 1.00 72.71 O
285
+ ATOM 285 OD2 ASP A 35 26.757 21.786 9.291 1.00 78.07 O
286
+ ATOM 286 C TRP A 36 19.093 21.797 12.135 1.00 92.02 C
287
+ ATOM 287 CA TRP A 36 20.542 21.844 12.606 1.00 93.04 C
288
+ ATOM 288 CB TRP A 36 20.736 23.004 13.587 1.00 90.95 C
289
+ ATOM 289 CD1 TRP A 36 23.249 23.512 13.701 1.00 72.76 C
290
+ ATOM 290 CD2 TRP A 36 22.415 22.556 15.546 1.00 75.97 C
291
+ ATOM 291 CE2 TRP A 36 23.796 22.780 15.738 1.00 80.30 C
292
+ ATOM 292 CE3 TRP A 36 21.673 21.962 16.577 1.00 79.48 C
293
+ ATOM 293 CG TRP A 36 22.086 23.033 14.238 1.00 82.53 C
294
+ ATOM 294 CH2 TRP A 36 23.703 21.851 17.913 1.00 76.16 C
295
+ ATOM 295 CZ2 TRP A 36 24.451 22.430 16.921 1.00 78.61 C
296
+ ATOM 296 CZ3 TRP A 36 22.328 21.615 17.753 1.00 77.79 C
297
+ ATOM 297 N TRP A 36 21.454 21.975 11.473 1.00 91.87 N
298
+ ATOM 298 NE1 TRP A 36 24.281 23.364 14.599 1.00 81.81 N
299
+ ATOM 299 O TRP A 36 18.625 22.708 11.450 1.00 90.24 O
300
+ ATOM 300 C TRP A 37 16.080 20.792 12.991 1.00 93.23 C
301
+ ATOM 301 CA TRP A 37 17.118 20.573 11.894 1.00 93.73 C
302
+ ATOM 302 CB TRP A 37 16.998 19.151 11.339 1.00 92.54 C
303
+ ATOM 303 CD1 TRP A 37 18.421 19.866 9.326 1.00 78.34 C
304
+ ATOM 304 CD2 TRP A 37 17.969 17.675 9.407 1.00 81.23 C
305
+ ATOM 305 CE2 TRP A 37 18.751 17.933 8.260 1.00 86.17 C
306
+ ATOM 306 CE3 TRP A 37 17.561 16.360 9.669 1.00 86.12 C
307
+ ATOM 307 CG TRP A 37 17.771 18.925 10.074 1.00 87.12 C
308
+ ATOM 308 CH2 TRP A 37 18.722 15.645 7.653 1.00 82.41 C
309
+ ATOM 309 CZ2 TRP A 37 19.134 16.922 7.374 1.00 84.50 C
310
+ ATOM 310 CZ3 TRP A 37 17.943 15.356 8.785 1.00 84.08 C
311
+ ATOM 311 N TRP A 37 18.466 20.815 12.397 1.00 92.85 N
312
+ ATOM 312 NE1 TRP A 37 19.013 19.276 8.233 1.00 87.17 N
313
+ ATOM 313 O TRP A 37 16.337 20.507 14.162 1.00 92.28 O
314
+ ATOM 314 C GLU A 38 13.126 20.096 13.563 1.00 94.19 C
315
+ ATOM 315 CA GLU A 38 13.811 21.458 13.484 1.00 93.98 C
316
+ ATOM 316 CB GLU A 38 12.803 22.531 13.063 1.00 92.77 C
317
+ ATOM 317 CD GLU A 38 10.822 23.975 13.725 1.00 83.84 C
318
+ ATOM 318 CG GLU A 38 11.796 22.887 14.146 1.00 86.29 C
319
+ ATOM 319 N GLU A 38 14.942 21.427 12.562 1.00 93.79 N
320
+ ATOM 320 O GLU A 38 12.763 19.519 12.536 1.00 93.77 O
321
+ ATOM 321 OE1 GLU A 38 10.758 24.299 12.517 1.00 81.20 O
322
+ ATOM 322 OE2 GLU A 38 10.116 24.510 14.610 1.00 80.44 O
323
+ ATOM 323 C ALA A 39 11.481 18.250 16.158 1.00 94.31 C
324
+ ATOM 324 CA ALA A 39 12.437 18.305 14.970 1.00 94.53 C
325
+ ATOM 325 CB ALA A 39 13.582 17.314 15.166 1.00 93.78 C
326
+ ATOM 326 N ALA A 39 12.961 19.655 14.779 1.00 94.06 N
327
+ ATOM 327 O ALA A 39 11.523 19.114 17.037 1.00 93.72 O
328
+ ATOM 328 C ARG A 40 10.150 15.525 17.869 1.00 95.14 C
329
+ ATOM 329 CA ARG A 40 9.771 16.898 17.325 1.00 94.92 C
330
+ ATOM 330 CB ARG A 40 8.291 16.918 16.938 1.00 93.99 C
331
+ ATOM 331 CD ARG A 40 5.890 16.666 17.659 1.00 87.09 C
332
+ ATOM 332 CG ARG A 40 7.348 16.631 18.096 1.00 89.29 C
333
+ ATOM 333 CZ ARG A 40 4.274 18.537 17.608 1.00 77.66 C
334
+ ATOM 334 N ARG A 40 10.605 17.258 16.182 1.00 94.81 N
335
+ ATOM 335 NE ARG A 40 5.463 18.020 17.315 1.00 82.83 N
336
+ ATOM 336 NH1 ARG A 40 3.365 17.821 18.260 1.00 70.57 N
337
+ ATOM 337 NH2 ARG A 40 3.991 19.780 17.247 1.00 67.37 N
338
+ ATOM 338 O ARG A 40 10.183 14.544 17.124 1.00 94.84 O
339
+ ATOM 339 C SER A 41 9.381 13.373 19.970 1.00 94.47 C
340
+ ATOM 340 CA SER A 41 10.683 14.157 19.843 1.00 94.82 C
341
+ ATOM 341 CB SER A 41 11.306 14.354 21.226 1.00 93.90 C
342
+ ATOM 342 N SER A 41 10.463 15.446 19.194 1.00 94.28 N
343
+ ATOM 343 O SER A 41 8.386 13.890 20.484 1.00 93.68 O
344
+ ATOM 344 OG SER A 41 11.277 13.145 21.966 1.00 88.47 O
345
+ ATOM 345 C LEU A 42 8.179 10.756 21.086 1.00 94.18 C
346
+ ATOM 346 CA LEU A 42 8.266 11.330 19.675 1.00 94.59 C
347
+ ATOM 347 CB LEU A 42 8.290 10.194 18.650 1.00 93.71 C
348
+ ATOM 348 CD1 LEU A 42 8.162 9.374 16.284 1.00 82.67 C
349
+ ATOM 349 CD2 LEU A 42 7.043 11.526 16.926 1.00 82.15 C
350
+ ATOM 350 CG LEU A 42 8.233 10.607 17.178 1.00 89.54 C
351
+ ATOM 351 N LEU A 42 9.446 12.176 19.530 1.00 94.75 N
352
+ ATOM 352 O LEU A 42 7.158 10.179 21.463 1.00 93.00 O
353
+ ATOM 353 C THR A 43 8.750 11.509 24.180 1.00 90.15 C
354
+ ATOM 354 CA THR A 43 9.271 10.415 23.252 1.00 91.28 C
355
+ ATOM 355 CB THR A 43 10.691 10.004 23.685 1.00 88.72 C
356
+ ATOM 356 CG2 THR A 43 10.695 9.457 25.108 1.00 73.45 C
357
+ ATOM 357 N THR A 43 9.250 10.862 21.863 1.00 91.21 N
358
+ ATOM 358 O THR A 43 7.865 11.263 25.002 1.00 88.14 O
359
+ ATOM 359 OG1 THR A 43 11.182 8.995 22.796 1.00 79.08 O
360
+ ATOM 360 C THR A 44 7.871 14.773 24.415 1.00 89.76 C
361
+ ATOM 361 CA THR A 44 8.919 13.818 24.978 1.00 90.20 C
362
+ ATOM 362 CB THR A 44 10.183 14.607 25.367 1.00 88.60 C
363
+ ATOM 363 CG2 THR A 44 11.275 13.677 25.886 1.00 80.99 C
364
+ ATOM 364 N THR A 44 9.229 12.764 24.017 1.00 90.52 N
365
+ ATOM 365 O THR A 44 7.235 15.516 25.163 1.00 88.42 O
366
+ ATOM 366 OG1 THR A 44 10.673 15.307 24.217 1.00 82.40 O
367
+ ATOM 367 C GLY A 45 7.363 17.077 22.222 1.00 92.15 C
368
+ ATOM 368 CA GLY A 45 6.787 15.686 22.401 1.00 92.66 C
369
+ ATOM 369 N GLY A 45 7.706 14.764 23.049 1.00 92.60 N
370
+ ATOM 370 O GLY A 45 6.710 17.957 21.658 1.00 90.74 O
371
+ ATOM 371 C GLU A 46 9.704 18.838 21.255 1.00 93.70 C
372
+ ATOM 372 CA GLU A 46 9.176 18.569 22.662 1.00 93.47 C
373
+ ATOM 373 CB GLU A 46 10.314 18.680 23.680 1.00 91.70 C
374
+ ATOM 374 CD GLU A 46 10.985 18.784 26.129 1.00 77.87 C
375
+ ATOM 375 CG GLU A 46 9.849 18.637 25.129 1.00 81.39 C
376
+ ATOM 376 N GLU A 46 8.540 17.258 22.746 1.00 93.53 N
377
+ ATOM 377 O GLU A 46 10.147 17.917 20.567 1.00 93.05 O
378
+ ATOM 378 OE1 GLU A 46 12.131 18.398 25.805 1.00 75.44 O
379
+ ATOM 379 OE2 GLU A 46 10.727 19.288 27.245 1.00 74.19 O
380
+ ATOM 380 C THR A 47 11.296 21.453 19.796 1.00 93.68 C
381
+ ATOM 381 CA THR A 47 10.074 20.565 19.583 1.00 93.81 C
382
+ ATOM 382 CB THR A 47 9.018 21.327 18.761 1.00 92.42 C
383
+ ATOM 383 CG2 THR A 47 9.568 21.726 17.395 1.00 81.34 C
384
+ ATOM 384 N THR A 47 9.529 20.121 20.862 1.00 93.77 N
385
+ ATOM 385 O THR A 47 11.346 22.231 20.751 1.00 92.83 O
386
+ ATOM 386 OG1 THR A 47 7.870 20.491 18.576 1.00 81.69 O
387
+ ATOM 387 C GLY A 48 14.486 21.721 17.918 1.00 94.12 C
388
+ ATOM 388 CA GLY A 48 13.485 22.169 18.965 1.00 94.04 C
389
+ ATOM 389 N GLY A 48 12.262 21.383 18.962 1.00 93.88 N
390
+ ATOM 390 O GLY A 48 14.183 20.857 17.092 1.00 93.55 O
391
+ ATOM 391 C TYR A 49 17.548 20.813 17.401 1.00 94.24 C
392
+ ATOM 392 CA TYR A 49 16.667 21.976 16.957 1.00 94.04 C
393
+ ATOM 393 CB TYR A 49 17.531 23.211 16.686 1.00 93.30 C
394
+ ATOM 394 CD1 TYR A 49 16.707 24.264 14.544 1.00 87.53 C
395
+ ATOM 395 CD2 TYR A 49 16.233 25.372 16.606 1.00 87.45 C
396
+ ATOM 396 CE1 TYR A 49 16.046 25.268 13.844 1.00 87.64 C
397
+ ATOM 397 CE2 TYR A 49 15.570 26.383 15.917 1.00 87.52 C
398
+ ATOM 398 CG TYR A 49 16.810 24.302 15.933 1.00 91.19 C
399
+ ATOM 399 CZ TYR A 49 15.481 26.322 14.538 1.00 86.11 C
400
+ ATOM 400 N TYR A 49 15.649 22.271 17.959 1.00 93.74 N
401
+ ATOM 401 O TYR A 49 17.863 20.682 18.586 1.00 93.95 O
402
+ ATOM 402 OH TYR A 49 14.825 27.318 13.851 1.00 82.89 O
403
+ ATOM 403 C ILE A 50 20.027 18.924 15.618 1.00 94.53 C
404
+ ATOM 404 CA ILE A 50 18.930 18.921 16.682 1.00 94.74 C
405
+ ATOM 405 CB ILE A 50 18.189 17.566 16.682 1.00 94.34 C
406
+ ATOM 406 CD1 ILE A 50 17.027 15.886 15.134 1.00 91.17 C
407
+ ATOM 407 CG1 ILE A 50 17.557 17.302 15.310 1.00 93.08 C
408
+ ATOM 408 CG2 ILE A 50 17.130 17.530 17.788 1.00 92.55 C
409
+ ATOM 409 N ILE A 50 18.014 20.031 16.448 1.00 94.46 N
410
+ ATOM 410 O ILE A 50 19.797 19.347 14.482 1.00 93.97 O
411
+ ATOM 411 C PRO A 51 21.872 17.218 13.976 1.00 94.55 C
412
+ ATOM 412 CA PRO A 51 22.211 18.341 14.954 1.00 94.49 C
413
+ ATOM 413 CB PRO A 51 23.486 18.017 15.738 1.00 93.83 C
414
+ ATOM 414 CD PRO A 51 21.577 17.947 17.244 1.00 91.69 C
415
+ ATOM 415 CG PRO A 51 23.005 17.516 17.061 1.00 92.33 C
416
+ ATOM 416 N PRO A 51 21.201 18.500 16.005 1.00 94.25 N
417
+ ATOM 417 O PRO A 51 21.624 16.084 14.395 1.00 94.19 O
418
+ ATOM 418 C SER A 52 22.356 15.275 11.595 1.00 94.49 C
419
+ ATOM 419 CA SER A 52 21.466 16.512 11.661 1.00 94.59 C
420
+ ATOM 420 CB SER A 52 21.409 17.183 10.288 1.00 93.55 C
421
+ ATOM 421 N SER A 52 21.941 17.453 12.671 1.00 94.42 N
422
+ ATOM 422 O SER A 52 21.900 14.195 11.213 1.00 93.79 O
423
+ ATOM 423 OG SER A 52 22.703 17.585 9.871 1.00 87.70 O
424
+ ATOM 424 C ASN A 53 24.485 13.464 13.215 1.00 95.45 C
425
+ ATOM 425 CA ASN A 53 24.598 14.366 11.989 1.00 95.36 C
426
+ ATOM 426 CB ASN A 53 26.034 14.873 11.833 1.00 94.66 C
427
+ ATOM 427 CG ASN A 53 26.475 15.743 12.994 1.00 92.46 C
428
+ ATOM 428 N ASN A 53 23.665 15.484 12.059 1.00 95.26 N
429
+ ATOM 429 ND2 ASN A 53 27.778 15.981 13.094 1.00 90.80 N
430
+ ATOM 430 O ASN A 53 25.236 12.496 13.350 1.00 94.95 O
431
+ ATOM 431 OD1 ASN A 53 25.652 16.197 13.793 1.00 89.48 O
432
+ ATOM 432 C TYR A 54 22.194 11.925 15.084 1.00 95.72 C
433
+ ATOM 433 CA TYR A 54 23.373 12.863 15.313 1.00 95.82 C
434
+ ATOM 434 CB TYR A 54 23.125 13.719 16.558 1.00 95.34 C
435
+ ATOM 435 CD1 TYR A 54 25.623 14.088 16.603 1.00 90.01 C
436
+ ATOM 436 CD2 TYR A 54 24.354 14.692 18.535 1.00 90.10 C
437
+ ATOM 437 CE1 TYR A 54 26.791 14.504 17.232 1.00 90.61 C
438
+ ATOM 438 CE2 TYR A 54 25.517 15.111 19.174 1.00 91.06 C
439
+ ATOM 439 CG TYR A 54 24.390 14.175 17.244 1.00 93.79 C
440
+ ATOM 440 CZ TYR A 54 26.729 15.014 18.515 1.00 90.19 C
441
+ ATOM 441 N TYR A 54 23.601 13.710 14.147 1.00 95.48 N
442
+ ATOM 442 O TYR A 54 21.824 11.155 15.973 1.00 95.07 O
443
+ ATOM 443 OH TYR A 54 27.882 15.427 19.142 1.00 80.86 O
444
+ ATOM 444 C VAL A 55 20.557 10.429 12.379 1.00 95.24 C
445
+ ATOM 445 CA VAL A 55 20.411 11.188 13.696 1.00 95.59 C
446
+ ATOM 446 CB VAL A 55 19.113 12.026 13.687 1.00 95.13 C
447
+ ATOM 447 CG1 VAL A 55 18.899 12.704 15.039 1.00 92.56 C
448
+ ATOM 448 CG2 VAL A 55 19.156 13.063 12.567 1.00 91.73 C
449
+ ATOM 449 N VAL A 55 21.587 12.022 13.917 1.00 95.53 N
450
+ ATOM 450 O VAL A 55 21.351 10.813 11.518 1.00 94.39 O
451
+ ATOM 451 C ALA A 56 18.259 8.194 10.683 1.00 95.31 C
452
+ ATOM 452 CA ALA A 56 19.707 8.564 10.990 1.00 95.49 C
453
+ ATOM 453 CB ALA A 56 20.555 7.304 11.141 1.00 94.74 C
454
+ ATOM 454 N ALA A 56 19.795 9.383 12.197 1.00 95.41 N
455
+ ATOM 455 O ALA A 56 17.429 8.106 11.590 1.00 94.80 O
456
+ ATOM 456 C PRO A 57 16.184 6.305 9.667 1.00 93.70 C
457
+ ATOM 457 CA PRO A 57 16.522 7.666 9.064 1.00 94.10 C
458
+ ATOM 458 CB PRO A 57 16.542 7.596 7.535 1.00 92.50 C
459
+ ATOM 459 CD PRO A 57 18.743 8.315 8.281 1.00 85.39 C
460
+ ATOM 460 CG PRO A 57 17.773 8.343 7.134 1.00 86.71 C
461
+ ATOM 461 N PRO A 57 17.877 8.113 9.399 1.00 93.96 N
462
+ ATOM 462 O PRO A 57 17.062 5.448 9.797 1.00 92.70 O
463
+ ATOM 463 C VAL A 58 14.131 3.957 9.244 1.00 89.61 C
464
+ ATOM 464 CA VAL A 58 14.506 4.798 10.461 1.00 91.87 C
465
+ ATOM 465 CB VAL A 58 13.292 4.934 11.408 1.00 90.30 C
466
+ ATOM 466 CG1 VAL A 58 12.763 3.558 11.810 1.00 87.07 C
467
+ ATOM 467 CG2 VAL A 58 13.670 5.747 12.645 1.00 86.31 C
468
+ ATOM 468 N VAL A 58 14.997 6.103 10.029 1.00 92.70 N
469
+ ATOM 469 O VAL A 58 13.471 4.444 8.324 1.00 86.27 O
470
+ TER 470 VAL A 58
471
+ END
1azg/1azg_protein_processed_fix.pdb ADDED
@@ -0,0 +1,904 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C VAL B 84 8.312 9.373 6.783 1.00 0.00 C
2
+ ATOM 2 CA VAL B 84 6.867 8.882 6.680 1.00 0.00 C
3
+ ATOM 3 CB VAL B 84 6.858 7.374 6.425 1.00 0.00 C
4
+ ATOM 4 CG1 VAL B 84 7.772 7.050 5.242 1.00 0.00 C
5
+ ATOM 5 CG2 VAL B 84 7.362 6.643 7.672 1.00 0.00 C
6
+ ATOM 6 N VAL B 84 6.184 9.580 5.554 1.00 0.00 N
7
+ ATOM 7 O VAL B 84 9.088 9.250 5.855 1.00 0.00 O
8
+ ATOM 8 HA VAL B 84 6.401 9.073 7.509 1.00 0.00 H
9
+ ATOM 9 HB VAL B 84 5.954 7.086 6.223 1.00 0.00 H
10
+ ATOM 10 HG11 VAL B 84 7.766 6.094 5.081 1.00 0.00 H
11
+ ATOM 11 HG12 VAL B 84 7.454 7.513 4.451 1.00 0.00 H
12
+ ATOM 12 HG13 VAL B 84 8.676 7.338 5.443 1.00 0.00 H
13
+ ATOM 13 HG21 VAL B 84 7.357 5.686 7.511 1.00 0.00 H
14
+ ATOM 14 HG22 VAL B 84 8.266 6.931 7.873 1.00 0.00 H
15
+ ATOM 15 HG23 VAL B 84 6.783 6.847 8.423 1.00 0.00 H
16
+ ATOM 16 C THR B 85 10.466 10.393 9.543 1.00 0.00 C
17
+ ATOM 17 CA THR B 85 10.077 10.429 8.064 1.00 0.00 C
18
+ ATOM 18 CB THR B 85 10.168 11.867 7.545 1.00 0.00 C
19
+ ATOM 19 CG2 THR B 85 11.252 11.956 6.470 1.00 0.00 C
20
+ ATOM 20 N THR B 85 8.681 9.931 7.904 1.00 0.00 N
21
+ ATOM 21 O THR B 85 10.585 11.416 10.189 1.00 0.00 O
22
+ ATOM 22 OG1 THR B 85 8.917 12.249 6.992 1.00 0.00 O
23
+ ATOM 23 H THR B 85 8.172 10.043 8.588 1.00 0.00 H
24
+ ATOM 24 HA THR B 85 10.682 9.864 7.558 1.00 0.00 H
25
+ ATOM 25 HB THR B 85 10.393 12.462 8.278 1.00 0.00 H
26
+ ATOM 26 HG1 THR B 85 9.001 12.981 6.588 1.00 0.00 H
27
+ ATOM 27 HG21 THR B 85 11.309 12.867 6.142 1.00 0.00 H
28
+ ATOM 28 HG22 THR B 85 12.106 11.695 6.849 1.00 0.00 H
29
+ ATOM 29 HG23 THR B 85 11.030 11.362 5.736 1.00 0.00 H
30
+ ATOM 30 C LEU B 86 12.565 8.919 11.629 1.00 0.00 C
31
+ ATOM 31 CA LEU B 86 11.051 9.120 11.521 1.00 0.00 C
32
+ ATOM 32 CB LEU B 86 10.331 7.928 12.156 1.00 0.00 C
33
+ ATOM 33 CD1 LEU B 86 9.487 9.345 14.032 1.00 0.00 C
34
+ ATOM 34 CD2 LEU B 86 8.182 9.179 11.909 1.00 0.00 C
35
+ ATOM 35 CG LEU B 86 9.079 8.417 12.887 1.00 0.00 C
36
+ ATOM 36 N LEU B 86 10.668 9.223 10.084 1.00 0.00 N
37
+ ATOM 37 O LEU B 86 13.121 8.004 11.056 1.00 0.00 O
38
+ ATOM 38 H LEU B 86 10.597 8.473 9.670 1.00 0.00 H
39
+ ATOM 39 HA LEU B 86 10.798 9.934 11.984 1.00 0.00 H
40
+ ATOM 40 HB2 LEU B 86 10.087 7.284 11.473 1.00 0.00 H
41
+ ATOM 41 HB3 LEU B 86 10.922 7.474 12.776 1.00 0.00 H
42
+ ATOM 42 HG LEU B 86 8.595 7.656 13.244 1.00 0.00 H
43
+ ATOM 43 HD11 LEU B 86 8.694 9.655 14.496 1.00 0.00 H
44
+ ATOM 44 HD12 LEU B 86 10.056 8.863 14.652 1.00 0.00 H
45
+ ATOM 45 HD13 LEU B 86 9.971 10.106 13.675 1.00 0.00 H
46
+ ATOM 46 HD21 LEU B 86 7.388 9.489 12.372 1.00 0.00 H
47
+ ATOM 47 HD22 LEU B 86 8.666 9.940 11.552 1.00 0.00 H
48
+ ATOM 48 HD23 LEU B 86 7.923 8.591 11.182 1.00 0.00 H
49
+ ATOM 49 C PHE B 87 15.071 9.390 13.966 1.00 0.00 C
50
+ ATOM 50 CA PHE B 87 14.714 9.625 12.497 1.00 0.00 C
51
+ ATOM 51 CB PHE B 87 15.401 10.900 12.005 1.00 0.00 C
52
+ ATOM 52 CD1 PHE B 87 13.746 11.522 10.211 1.00 0.00 C
53
+ ATOM 53 CD2 PHE B 87 16.014 10.962 9.561 1.00 0.00 C
54
+ ATOM 54 CE1 PHE B 87 13.414 11.738 8.868 1.00 0.00 C
55
+ ATOM 55 CE2 PHE B 87 15.682 11.178 8.218 1.00 0.00 C
56
+ ATOM 56 CG PHE B 87 15.045 11.134 10.557 1.00 0.00 C
57
+ ATOM 57 CZ PHE B 87 14.382 11.566 7.872 1.00 0.00 C
58
+ ATOM 58 N PHE B 87 13.237 9.769 12.357 1.00 0.00 N
59
+ ATOM 59 O PHE B 87 14.486 9.971 14.858 1.00 0.00 O
60
+ ATOM 60 H PHE B 87 12.892 10.433 12.781 1.00 0.00 H
61
+ ATOM 61 HA PHE B 87 15.014 8.870 11.967 1.00 0.00 H
62
+ ATOM 62 HB2 PHE B 87 15.123 11.658 12.543 1.00 0.00 H
63
+ ATOM 63 HB3 PHE B 87 16.363 10.820 12.103 1.00 0.00 H
64
+ ATOM 64 HD1 PHE B 87 13.103 11.636 10.873 1.00 0.00 H
65
+ ATOM 65 HD2 PHE B 87 16.877 10.704 9.791 1.00 0.00 H
66
+ ATOM 66 HE1 PHE B 87 12.551 11.996 8.638 1.00 0.00 H
67
+ ATOM 67 HE2 PHE B 87 16.325 11.064 7.556 1.00 0.00 H
68
+ ATOM 68 HZ PHE B 87 14.162 11.709 6.980 1.00 0.00 H
69
+ ATOM 69 C VAL B 88 17.773 8.928 15.919 1.00 0.00 C
70
+ ATOM 70 CA VAL B 88 16.423 8.269 15.632 1.00 0.00 C
71
+ ATOM 71 CB VAL B 88 16.539 6.759 15.847 1.00 0.00 C
72
+ ATOM 72 CG1 VAL B 88 16.230 6.426 17.307 1.00 0.00 C
73
+ ATOM 73 CG2 VAL B 88 15.540 6.038 14.938 1.00 0.00 C
74
+ ATOM 74 N VAL B 88 16.028 8.541 14.223 1.00 0.00 N
75
+ ATOM 75 O VAL B 88 18.576 9.133 15.030 1.00 0.00 O
76
+ ATOM 76 H VAL B 88 16.471 8.105 13.628 1.00 0.00 H
77
+ ATOM 77 HA VAL B 88 15.751 8.631 16.231 1.00 0.00 H
78
+ ATOM 78 HB VAL B 88 17.440 6.470 15.633 1.00 0.00 H
79
+ ATOM 79 HG11 VAL B 88 16.304 5.468 17.443 1.00 0.00 H
80
+ ATOM 80 HG12 VAL B 88 16.861 6.884 17.884 1.00 0.00 H
81
+ ATOM 81 HG13 VAL B 88 15.329 6.714 17.521 1.00 0.00 H
82
+ ATOM 82 HG21 VAL B 88 15.612 5.080 15.073 1.00 0.00 H
83
+ ATOM 83 HG22 VAL B 88 14.639 6.327 15.153 1.00 0.00 H
84
+ ATOM 84 HG23 VAL B 88 15.735 6.249 14.011 1.00 0.00 H
85
+ ATOM 85 C ALA B 89 20.417 8.835 17.602 1.00 0.00 C
86
+ ATOM 86 CA ALA B 89 19.330 9.906 17.495 1.00 0.00 C
87
+ ATOM 87 CB ALA B 89 19.200 10.640 18.831 1.00 0.00 C
88
+ ATOM 88 N ALA B 89 18.031 9.261 17.154 1.00 0.00 N
89
+ ATOM 89 O ALA B 89 20.367 7.969 18.453 1.00 0.00 O
90
+ ATOM 90 H ALA B 89 17.498 9.137 17.818 1.00 0.00 H
91
+ ATOM 91 HA ALA B 89 19.569 10.540 16.801 1.00 0.00 H
92
+ ATOM 92 HB1 ALA B 89 20.046 11.060 19.053 1.00 0.00 H
93
+ ATOM 93 HB2 ALA B 89 18.511 11.319 18.762 1.00 0.00 H
94
+ ATOM 94 HB3 ALA B 89 18.961 10.007 19.526 1.00 0.00 H
95
+ ATOM 95 C LEU B 90 23.401 8.162 17.990 1.00 0.00 C
96
+ ATOM 96 CA LEU B 90 22.488 7.869 16.797 1.00 0.00 C
97
+ ATOM 97 CB LEU B 90 23.302 7.929 15.504 1.00 0.00 C
98
+ ATOM 98 CD1 LEU B 90 22.961 8.445 13.084 1.00 0.00 C
99
+ ATOM 99 CD2 LEU B 90 22.228 6.243 14.008 1.00 0.00 C
100
+ ATOM 100 CG LEU B 90 22.372 7.737 14.306 1.00 0.00 C
101
+ ATOM 101 N LEU B 90 21.399 8.885 16.745 1.00 0.00 N
102
+ ATOM 102 O LEU B 90 24.252 7.369 18.342 1.00 0.00 O
103
+ ATOM 103 H LEU B 90 21.480 9.476 16.126 1.00 0.00 H
104
+ ATOM 104 HA LEU B 90 22.102 6.984 16.895 1.00 0.00 H
105
+ ATOM 105 HB2 LEU B 90 23.759 8.782 15.437 1.00 0.00 H
106
+ ATOM 106 HB3 LEU B 90 23.986 7.241 15.509 1.00 0.00 H
107
+ ATOM 107 HG LEU B 90 21.501 8.113 14.509 1.00 0.00 H
108
+ ATOM 108 HD11 LEU B 90 22.371 8.323 12.324 1.00 0.00 H
109
+ ATOM 109 HD12 LEU B 90 23.054 9.392 13.272 1.00 0.00 H
110
+ ATOM 110 HD13 LEU B 90 23.832 8.069 12.880 1.00 0.00 H
111
+ ATOM 111 HD21 LEU B 90 21.638 6.120 13.248 1.00 0.00 H
112
+ ATOM 112 HD22 LEU B 90 23.099 5.868 13.805 1.00 0.00 H
113
+ ATOM 113 HD23 LEU B 90 21.855 5.793 14.782 1.00 0.00 H
114
+ ATOM 114 C TYR B 91 23.298 10.517 20.756 1.00 0.00 C
115
+ ATOM 115 CA TYR B 91 24.088 9.638 19.784 1.00 0.00 C
116
+ ATOM 116 CB TYR B 91 25.328 10.398 19.307 1.00 0.00 C
117
+ ATOM 117 CD1 TYR B 91 26.961 8.584 18.672 1.00 0.00 C
118
+ ATOM 118 CD2 TYR B 91 25.834 9.809 16.909 1.00 0.00 C
119
+ ATOM 119 CE1 TYR B 91 27.639 7.824 17.711 1.00 0.00 C
120
+ ATOM 120 CE2 TYR B 91 26.511 9.049 15.948 1.00 0.00 C
121
+ ATOM 121 CG TYR B 91 26.058 9.577 18.271 1.00 0.00 C
122
+ ATOM 122 CZ TYR B 91 27.414 8.056 16.349 1.00 0.00 C
123
+ ATOM 123 N TYR B 91 23.231 9.295 18.615 1.00 0.00 N
124
+ ATOM 124 O TYR B 91 22.189 10.928 20.475 1.00 0.00 O
125
+ ATOM 125 OH TYR B 91 28.082 7.307 15.401 1.00 0.00 O
126
+ ATOM 126 H TYR B 91 22.644 9.888 18.405 1.00 0.00 H
127
+ ATOM 127 HA TYR B 91 24.361 8.822 20.232 1.00 0.00 H
128
+ ATOM 128 HB2 TYR B 91 25.069 11.254 18.931 1.00 0.00 H
129
+ ATOM 129 HB3 TYR B 91 25.914 10.583 20.058 1.00 0.00 H
130
+ ATOM 130 HD1 TYR B 91 27.110 8.429 19.577 1.00 0.00 H
131
+ ATOM 131 HD2 TYR B 91 25.235 10.469 16.642 1.00 0.00 H
132
+ ATOM 132 HE1 TYR B 91 28.239 7.165 17.978 1.00 0.00 H
133
+ ATOM 133 HE2 TYR B 91 26.361 9.203 15.043 1.00 0.00 H
134
+ ATOM 134 HH TYR B 91 28.646 6.813 15.780 1.00 0.00 H
135
+ ATOM 135 C ASP B 92 23.524 13.127 22.668 1.00 0.00 C
136
+ ATOM 136 CA ASP B 92 23.141 11.661 22.885 1.00 0.00 C
137
+ ATOM 137 CB ASP B 92 23.531 11.236 24.302 1.00 0.00 C
138
+ ATOM 138 CG ASP B 92 25.054 11.148 24.409 1.00 0.00 C
139
+ ATOM 139 N ASP B 92 23.860 10.809 21.896 1.00 0.00 N
140
+ ATOM 140 O ASP B 92 24.422 13.440 21.912 1.00 0.00 O
141
+ ATOM 141 OD1 ASP B 92 25.721 11.679 23.536 1.00 0.00 O
142
+ ATOM 142 OD2 ASP B 92 25.528 10.552 25.362 1.00 0.00 O
143
+ ATOM 143 H ASP B 92 24.641 10.544 22.140 1.00 0.00 H
144
+ ATOM 144 HA ASP B 92 22.184 11.556 22.768 1.00 0.00 H
145
+ ATOM 145 HB2 ASP B 92 23.188 11.874 24.947 1.00 0.00 H
146
+ ATOM 146 HB3 ASP B 92 23.132 10.377 24.513 1.00 0.00 H
147
+ ATOM 147 C TYR B 93 22.514 16.276 24.283 1.00 0.00 C
148
+ ATOM 148 CA TYR B 93 23.173 15.474 23.158 1.00 0.00 C
149
+ ATOM 149 CB TYR B 93 22.646 15.962 21.807 1.00 0.00 C
150
+ ATOM 150 CD1 TYR B 93 24.120 17.946 21.312 1.00 0.00 C
151
+ ATOM 151 CD2 TYR B 93 21.813 18.337 21.948 1.00 0.00 C
152
+ ATOM 152 CE1 TYR B 93 24.323 19.327 21.199 1.00 0.00 C
153
+ ATOM 153 CE2 TYR B 93 22.016 19.717 21.835 1.00 0.00 C
154
+ ATOM 154 CG TYR B 93 22.865 17.451 21.686 1.00 0.00 C
155
+ ATOM 155 CZ TYR B 93 23.271 20.212 21.461 1.00 0.00 C
156
+ ATOM 156 N TYR B 93 22.848 14.030 23.326 1.00 0.00 N
157
+ ATOM 157 O TYR B 93 21.364 16.069 24.615 1.00 0.00 O
158
+ ATOM 158 OH TYR B 93 23.470 21.573 21.350 1.00 0.00 O
159
+ ATOM 159 H TYR B 93 22.205 13.861 23.871 1.00 0.00 H
160
+ ATOM 160 HA TYR B 93 24.135 15.596 23.192 1.00 0.00 H
161
+ ATOM 161 HB2 TYR B 93 23.101 15.499 21.086 1.00 0.00 H
162
+ ATOM 162 HB3 TYR B 93 21.702 15.757 21.725 1.00 0.00 H
163
+ ATOM 163 HD1 TYR B 93 24.819 17.358 21.139 1.00 0.00 H
164
+ ATOM 164 HD2 TYR B 93 20.979 18.008 22.197 1.00 0.00 H
165
+ ATOM 165 HE1 TYR B 93 25.157 19.656 20.950 1.00 0.00 H
166
+ ATOM 166 HE2 TYR B 93 21.317 20.305 22.008 1.00 0.00 H
167
+ ATOM 167 HH TYR B 93 23.392 21.803 20.546 1.00 0.00 H
168
+ ATOM 168 C GLU B 94 22.335 19.408 25.466 1.00 0.00 C
169
+ ATOM 169 CA GLU B 94 22.648 18.002 25.980 1.00 0.00 C
170
+ ATOM 170 CB GLU B 94 23.645 18.097 27.139 1.00 0.00 C
171
+ ATOM 171 CD GLU B 94 25.290 16.691 28.389 1.00 0.00 C
172
+ ATOM 172 CG GLU B 94 24.695 16.991 27.012 1.00 0.00 C
173
+ ATOM 173 N GLU B 94 23.235 17.190 24.875 1.00 0.00 N
174
+ ATOM 174 O GLU B 94 23.222 20.202 25.223 1.00 0.00 O
175
+ ATOM 175 OE1 GLU B 94 24.544 16.717 29.353 1.00 0.00 O
176
+ ATOM 176 OE2 GLU B 94 26.483 16.441 28.455 1.00 0.00 O
177
+ ATOM 177 H GLU B 94 24.052 17.375 24.678 1.00 0.00 H
178
+ ATOM 178 HA GLU B 94 21.833 17.578 26.291 1.00 0.00 H
179
+ ATOM 179 HB2 GLU B 94 24.076 18.966 27.135 1.00 0.00 H
180
+ ATOM 180 HB3 GLU B 94 23.178 18.016 27.985 1.00 0.00 H
181
+ ATOM 181 HG2 GLU B 94 24.292 16.190 26.642 1.00 0.00 H
182
+ ATOM 182 HG3 GLU B 94 25.395 17.265 26.399 1.00 0.00 H
183
+ ATOM 183 C ALA B 95 21.316 22.141 25.727 1.00 0.00 C
184
+ ATOM 184 CA ALA B 95 20.713 21.079 24.804 1.00 0.00 C
185
+ ATOM 185 CB ALA B 95 19.190 21.222 24.789 1.00 0.00 C
186
+ ATOM 186 N ALA B 95 21.080 19.724 25.301 1.00 0.00 N
187
+ ATOM 187 O ALA B 95 20.853 22.352 26.829 1.00 0.00 O
188
+ ATOM 188 H ALA B 95 20.417 19.200 25.459 1.00 0.00 H
189
+ ATOM 189 HA ALA B 95 21.058 21.198 23.905 1.00 0.00 H
190
+ ATOM 190 HB1 ALA B 95 18.951 22.105 24.465 1.00 0.00 H
191
+ ATOM 191 HB2 ALA B 95 18.807 20.549 24.205 1.00 0.00 H
192
+ ATOM 192 HB3 ALA B 95 18.845 21.103 25.688 1.00 0.00 H
193
+ ATOM 193 C ARG B 96 22.252 25.190 25.924 1.00 0.00 C
194
+ ATOM 194 CA ARG B 96 22.974 23.858 26.138 1.00 0.00 C
195
+ ATOM 195 CB ARG B 96 24.449 24.006 25.758 1.00 0.00 C
196
+ ATOM 196 CD ARG B 96 25.667 23.954 23.568 1.00 0.00 C
197
+ ATOM 197 CG ARG B 96 24.559 24.642 24.370 1.00 0.00 C
198
+ ATOM 198 CZ ARG B 96 27.275 24.060 25.379 1.00 0.00 C
199
+ ATOM 199 N ARG B 96 22.345 22.811 25.285 1.00 0.00 N
200
+ ATOM 200 NE ARG B 96 26.649 23.327 24.499 1.00 0.00 N
201
+ ATOM 201 NH1 ARG B 96 27.222 25.362 25.302 1.00 0.00 N
202
+ ATOM 202 NH2 ARG B 96 27.954 23.489 26.337 1.00 0.00 N
203
+ ATOM 203 O ARG B 96 22.701 26.230 26.364 1.00 0.00 O
204
+ ATOM 204 H ARG B 96 22.709 22.699 24.514 1.00 0.00 H
205
+ ATOM 205 HA ARG B 96 22.906 23.601 27.071 1.00 0.00 H
206
+ ATOM 206 HB2 ARG B 96 24.908 24.555 26.413 1.00 0.00 H
207
+ ATOM 207 HB3 ARG B 96 24.882 23.138 25.762 1.00 0.00 H
208
+ ATOM 208 HG2 ARG B 96 23.713 24.563 23.902 1.00 0.00 H
209
+ ATOM 209 HG3 ARG B 96 24.750 25.589 24.454 1.00 0.00 H
210
+ ATOM 210 HD2 ARG B 96 25.285 23.279 22.985 1.00 0.00 H
211
+ ATOM 211 HD3 ARG B 96 26.115 24.600 22.999 1.00 0.00 H
212
+ ATOM 212 HE ARG B 96 26.803 22.482 24.456 1.00 0.00 H
213
+ ATOM 213 HH11 ARG B 96 26.774 25.738 24.671 1.00 0.00 H
214
+ ATOM 214 HH12 ARG B 96 27.635 25.844 25.882 1.00 0.00 H
215
+ ATOM 215 HH21 ARG B 96 27.988 22.631 26.387 1.00 0.00 H
216
+ ATOM 216 HH22 ARG B 96 28.367 23.971 26.917 1.00 0.00 H
217
+ ATOM 217 C THR B 97 18.878 26.122 24.994 1.00 0.00 C
218
+ ATOM 218 CA THR B 97 20.377 26.427 25.010 1.00 0.00 C
219
+ ATOM 219 CB THR B 97 20.789 27.020 23.660 1.00 0.00 C
220
+ ATOM 220 CG2 THR B 97 22.307 26.924 23.500 1.00 0.00 C
221
+ ATOM 221 N THR B 97 21.133 25.165 25.252 1.00 0.00 N
222
+ ATOM 222 O THR B 97 18.469 24.978 24.971 1.00 0.00 O
223
+ ATOM 223 OG1 THR B 97 20.153 26.299 22.614 1.00 0.00 O
224
+ ATOM 224 H THR B 97 20.776 24.456 24.921 1.00 0.00 H
225
+ ATOM 225 HA THR B 97 20.574 27.063 25.715 1.00 0.00 H
226
+ ATOM 226 HB THR B 97 20.521 27.951 23.620 1.00 0.00 H
227
+ ATOM 227 HG1 THR B 97 20.693 25.745 22.287 1.00 0.00 H
228
+ ATOM 228 HG21 THR B 97 22.567 27.300 22.644 1.00 0.00 H
229
+ ATOM 229 HG22 THR B 97 22.740 27.417 24.214 1.00 0.00 H
230
+ ATOM 230 HG23 THR B 97 22.579 25.994 23.540 1.00 0.00 H
231
+ ATOM 231 C GLU B 98 16.132 26.600 23.555 1.00 0.00 C
232
+ ATOM 232 CA GLU B 98 16.583 26.896 24.988 1.00 0.00 C
233
+ ATOM 233 CB GLU B 98 15.857 28.140 25.509 1.00 0.00 C
234
+ ATOM 234 CD GLU B 98 15.085 30.448 24.937 1.00 0.00 C
235
+ ATOM 235 CG GLU B 98 15.809 29.207 24.413 1.00 0.00 C
236
+ ATOM 236 N GLU B 98 18.054 27.134 25.005 1.00 0.00 N
237
+ ATOM 237 O GLU B 98 14.963 26.398 23.292 1.00 0.00 O
238
+ ATOM 238 OE1 GLU B 98 14.833 30.503 26.129 1.00 0.00 O
239
+ ATOM 239 OE2 GLU B 98 14.793 31.322 24.137 1.00 0.00 O
240
+ ATOM 240 H GLU B 98 18.291 27.960 25.022 1.00 0.00 H
241
+ ATOM 241 HA GLU B 98 16.370 26.139 25.556 1.00 0.00 H
242
+ ATOM 242 HB2 GLU B 98 14.957 27.908 25.786 1.00 0.00 H
243
+ ATOM 243 HB3 GLU B 98 16.313 28.488 26.291 1.00 0.00 H
244
+ ATOM 244 HG2 GLU B 98 16.709 29.439 24.135 1.00 0.00 H
245
+ ATOM 245 HG3 GLU B 98 15.351 28.860 23.631 1.00 0.00 H
246
+ ATOM 246 C ASP B 99 16.921 24.815 20.903 1.00 0.00 C
247
+ ATOM 247 CA ASP B 99 16.675 26.293 21.213 1.00 0.00 C
248
+ ATOM 248 CB ASP B 99 17.526 27.158 20.281 1.00 0.00 C
249
+ ATOM 249 CG ASP B 99 16.862 28.525 20.102 1.00 0.00 C
250
+ ATOM 250 N ASP B 99 17.050 26.574 22.628 1.00 0.00 N
251
+ ATOM 251 O ASP B 99 16.033 24.103 20.477 1.00 0.00 O
252
+ ATOM 252 OD1 ASP B 99 15.704 28.554 19.720 1.00 0.00 O
253
+ ATOM 253 OD2 ASP B 99 17.524 29.519 20.352 1.00 0.00 O
254
+ ATOM 254 H ASP B 99 17.888 26.710 22.764 1.00 0.00 H
255
+ ATOM 255 HA ASP B 99 15.736 26.499 21.080 1.00 0.00 H
256
+ ATOM 256 HB2 ASP B 99 18.417 27.267 20.649 1.00 0.00 H
257
+ ATOM 257 HB3 ASP B 99 17.626 26.721 19.421 1.00 0.00 H
258
+ ATOM 258 C ASP B 100 17.609 22.022 21.765 1.00 0.00 C
259
+ ATOM 259 CA ASP B 100 18.424 22.915 20.826 1.00 0.00 C
260
+ ATOM 260 CB ASP B 100 19.916 22.655 21.045 1.00 0.00 C
261
+ ATOM 261 CG ASP B 100 20.736 23.705 20.293 1.00 0.00 C
262
+ ATOM 262 N ASP B 100 18.122 24.346 21.111 1.00 0.00 N
263
+ ATOM 263 O ASP B 100 16.806 22.495 22.545 1.00 0.00 O
264
+ ATOM 264 OD1 ASP B 100 21.025 23.480 19.129 1.00 0.00 O
265
+ ATOM 265 OD2 ASP B 100 21.062 24.716 20.893 1.00 0.00 O
266
+ ATOM 266 H ASP B 100 18.784 24.807 21.410 1.00 0.00 H
267
+ ATOM 267 HA ASP B 100 18.191 22.714 19.906 1.00 0.00 H
268
+ ATOM 268 HB2 ASP B 100 20.124 22.687 21.992 1.00 0.00 H
269
+ ATOM 269 HB3 ASP B 100 20.148 21.766 20.733 1.00 0.00 H
270
+ ATOM 270 C LEU B 101 18.013 18.879 23.313 1.00 0.00 C
271
+ ATOM 271 CA LEU B 101 17.043 19.811 22.582 1.00 0.00 C
272
+ ATOM 272 CB LEU B 101 16.078 18.975 21.739 1.00 0.00 C
273
+ ATOM 273 CD1 LEU B 101 15.069 19.301 19.478 1.00 0.00 C
274
+ ATOM 274 CD2 LEU B 101 13.840 20.057 21.516 1.00 0.00 C
275
+ ATOM 275 CG LEU B 101 15.221 19.902 20.876 1.00 0.00 C
276
+ ATOM 276 N LEU B 101 17.808 20.733 21.695 1.00 0.00 N
277
+ ATOM 277 O LEU B 101 19.213 18.949 23.133 1.00 0.00 O
278
+ ATOM 278 H LEU B 101 18.364 20.351 21.161 1.00 0.00 H
279
+ ATOM 279 HA LEU B 101 16.543 20.331 23.230 1.00 0.00 H
280
+ ATOM 280 HB2 LEU B 101 16.574 18.360 21.176 1.00 0.00 H
281
+ ATOM 281 HB3 LEU B 101 15.512 18.438 22.315 1.00 0.00 H
282
+ ATOM 282 HG LEU B 101 15.648 20.770 20.810 1.00 0.00 H
283
+ ATOM 283 HD11 LEU B 101 14.525 19.889 18.930 1.00 0.00 H
284
+ ATOM 284 HD12 LEU B 101 15.944 19.199 19.072 1.00 0.00 H
285
+ ATOM 285 HD13 LEU B 101 14.641 18.433 19.543 1.00 0.00 H
286
+ ATOM 286 HD21 LEU B 101 13.294 20.645 20.970 1.00 0.00 H
287
+ ATOM 287 HD22 LEU B 101 13.414 19.188 21.580 1.00 0.00 H
288
+ ATOM 288 HD23 LEU B 101 13.935 20.437 22.404 1.00 0.00 H
289
+ ATOM 289 C SER B 102 17.826 15.649 24.775 1.00 0.00 C
290
+ ATOM 290 CA SER B 102 18.391 17.067 24.878 1.00 0.00 C
291
+ ATOM 291 CB SER B 102 18.460 17.485 26.347 1.00 0.00 C
292
+ ATOM 292 N SER B 102 17.502 18.005 24.137 1.00 0.00 N
293
+ ATOM 293 O SER B 102 16.630 15.443 24.834 1.00 0.00 O
294
+ ATOM 294 OG SER B 102 17.221 17.188 26.979 1.00 0.00 O
295
+ ATOM 295 H SER B 102 16.662 17.917 24.299 1.00 0.00 H
296
+ ATOM 296 HA SER B 102 19.282 17.090 24.495 1.00 0.00 H
297
+ ATOM 297 HB2 SER B 102 19.183 17.017 26.794 1.00 0.00 H
298
+ ATOM 298 HB3 SER B 102 18.651 18.434 26.416 1.00 0.00 H
299
+ ATOM 299 HG SER B 102 17.257 17.415 27.787 1.00 0.00 H
300
+ ATOM 300 C PHE B 103 19.355 12.299 24.469 1.00 0.00 C
301
+ ATOM 301 CA PHE B 103 18.174 13.270 24.509 1.00 0.00 C
302
+ ATOM 302 CB PHE B 103 17.356 13.125 23.225 1.00 0.00 C
303
+ ATOM 303 CD1 PHE B 103 18.103 14.991 21.703 1.00 0.00 C
304
+ ATOM 304 CD2 PHE B 103 18.968 12.758 21.321 1.00 0.00 C
305
+ ATOM 305 CE1 PHE B 103 18.850 15.466 20.618 1.00 0.00 C
306
+ ATOM 306 CE2 PHE B 103 19.715 13.233 20.236 1.00 0.00 C
307
+ ATOM 307 CG PHE B 103 18.162 13.637 22.055 1.00 0.00 C
308
+ ATOM 308 CZ PHE B 103 19.656 14.587 19.884 1.00 0.00 C
309
+ ATOM 309 N PHE B 103 18.674 14.669 24.619 1.00 0.00 N
310
+ ATOM 310 O PHE B 103 20.493 12.680 24.659 1.00 0.00 O
311
+ ATOM 311 H PHE B 103 19.528 14.759 24.572 1.00 0.00 H
312
+ ATOM 312 HA PHE B 103 17.618 13.067 25.277 1.00 0.00 H
313
+ ATOM 313 HB2 PHE B 103 17.118 12.195 23.084 1.00 0.00 H
314
+ ATOM 314 HB3 PHE B 103 16.526 13.621 23.301 1.00 0.00 H
315
+ ATOM 315 HD1 PHE B 103 17.568 15.575 22.190 1.00 0.00 H
316
+ ATOM 316 HD2 PHE B 103 19.007 11.859 21.554 1.00 0.00 H
317
+ ATOM 317 HE1 PHE B 103 18.811 16.365 20.385 1.00 0.00 H
318
+ ATOM 318 HE2 PHE B 103 20.250 12.649 19.749 1.00 0.00 H
319
+ ATOM 319 HZ PHE B 103 20.152 14.902 19.163 1.00 0.00 H
320
+ ATOM 320 C HIS B 104 19.954 9.098 22.987 1.00 0.00 C
321
+ ATOM 321 CA HIS B 104 20.193 10.045 24.163 1.00 0.00 C
322
+ ATOM 322 CB HIS B 104 20.221 9.244 25.465 1.00 0.00 C
323
+ ATOM 323 CD2 HIS B 104 19.802 11.090 27.287 1.00 0.00 C
324
+ ATOM 324 CE1 HIS B 104 21.773 11.096 28.188 1.00 0.00 C
325
+ ATOM 325 CG HIS B 104 20.551 10.159 26.611 1.00 0.00 C
326
+ ATOM 326 N HIS B 104 19.091 11.046 24.220 1.00 0.00 N
327
+ ATOM 327 ND1 HIS B 104 21.805 10.180 27.203 1.00 0.00 N
328
+ ATOM 328 NE2 HIS B 104 20.575 11.681 28.283 1.00 0.00 N
329
+ ATOM 329 O HIS B 104 18.858 8.999 22.471 1.00 0.00 O
330
+ ATOM 330 H HIS B 104 18.304 10.730 24.079 1.00 0.00 H
331
+ ATOM 331 HA HIS B 104 21.041 10.501 24.046 1.00 0.00 H
332
+ ATOM 332 HB2 HIS B 104 19.361 8.821 25.614 1.00 0.00 H
333
+ ATOM 333 HB3 HIS B 104 20.880 8.534 25.405 1.00 0.00 H
334
+ ATOM 334 HD1 HIS B 104 22.480 9.696 26.981 1.00 0.00 H
335
+ ATOM 335 HD2 HIS B 104 18.913 11.295 27.107 1.00 0.00 H
336
+ ATOM 336 HE1 HIS B 104 22.497 11.298 28.736 1.00 0.00 H
337
+ ATOM 337 HE2 HIS B 104 20.334 12.291 28.839 1.00 0.00 H
338
+ ATOM 338 C LYS B 105 19.568 6.576 21.664 1.00 0.00 C
339
+ ATOM 339 CA LYS B 105 20.791 7.462 21.412 1.00 0.00 C
340
+ ATOM 340 CB LYS B 105 22.040 6.588 21.267 1.00 0.00 C
341
+ ATOM 341 CD LYS B 105 23.154 4.499 22.070 1.00 0.00 C
342
+ ATOM 342 CE LYS B 105 24.466 5.218 21.754 1.00 0.00 C
343
+ ATOM 343 CG LYS B 105 22.065 5.530 22.373 1.00 0.00 C
344
+ ATOM 344 N LYS B 105 20.968 8.399 22.556 1.00 0.00 N
345
+ ATOM 345 NZ LYS B 105 24.796 6.160 22.861 1.00 0.00 N
346
+ ATOM 346 O LYS B 105 19.345 6.106 22.762 1.00 0.00 O
347
+ ATOM 347 H LYS B 105 21.762 8.430 22.885 1.00 0.00 H
348
+ ATOM 348 HA LYS B 105 20.659 7.969 20.596 1.00 0.00 H
349
+ ATOM 349 HB2 LYS B 105 22.045 6.159 20.397 1.00 0.00 H
350
+ ATOM 350 HB3 LYS B 105 22.837 7.138 21.316 1.00 0.00 H
351
+ ATOM 351 HG2 LYS B 105 22.233 5.950 23.231 1.00 0.00 H
352
+ ATOM 352 HG3 LYS B 105 21.201 5.093 22.435 1.00 0.00 H
353
+ ATOM 353 HD2 LYS B 105 23.273 3.908 22.830 1.00 0.00 H
354
+ ATOM 354 HD3 LYS B 105 22.889 3.946 21.319 1.00 0.00 H
355
+ ATOM 355 HE2 LYS B 105 25.181 4.572 21.642 1.00 0.00 H
356
+ ATOM 356 HE3 LYS B 105 24.387 5.702 20.917 1.00 0.00 H
357
+ ATOM 357 HZ1 LYS B 105 25.669 6.123 23.032 1.00 0.00 H
358
+ ATOM 358 HZ2 LYS B 105 24.576 6.988 22.622 1.00 0.00 H
359
+ ATOM 359 HZ3 LYS B 105 24.341 5.932 23.591 1.00 0.00 H
360
+ ATOM 360 C GLY B 106 16.324 6.374 20.976 1.00 0.00 C
361
+ ATOM 361 CA GLY B 106 17.566 5.490 20.837 1.00 0.00 C
362
+ ATOM 362 N GLY B 106 18.773 6.346 20.655 1.00 0.00 N
363
+ ATOM 363 O GLY B 106 15.212 5.891 21.042 1.00 0.00 O
364
+ ATOM 364 H GLY B 106 18.886 6.656 19.861 1.00 0.00 H
365
+ ATOM 365 HA2 GLY B 106 17.465 4.892 20.080 1.00 0.00 H
366
+ ATOM 366 HA3 GLY B 106 17.668 4.934 21.625 1.00 0.00 H
367
+ ATOM 367 C GLU B 107 14.748 8.868 19.773 1.00 0.00 C
368
+ ATOM 368 CA GLU B 107 15.332 8.577 21.158 1.00 0.00 C
369
+ ATOM 369 CB GLU B 107 15.776 9.887 21.812 1.00 0.00 C
370
+ ATOM 370 CD GLU B 107 14.139 10.714 23.510 1.00 0.00 C
371
+ ATOM 371 CG GLU B 107 14.558 10.785 22.041 1.00 0.00 C
372
+ ATOM 372 N GLU B 107 16.504 7.666 21.022 1.00 0.00 N
373
+ ATOM 373 O GLU B 107 15.454 9.233 18.855 1.00 0.00 O
374
+ ATOM 374 OE1 GLU B 107 14.534 9.770 24.174 1.00 0.00 O
375
+ ATOM 375 OE2 GLU B 107 13.430 11.605 23.947 1.00 0.00 O
376
+ ATOM 376 H GLU B 107 17.269 8.057 20.979 1.00 0.00 H
377
+ ATOM 377 HA GLU B 107 14.656 8.154 21.711 1.00 0.00 H
378
+ ATOM 378 HB2 GLU B 107 16.218 9.704 22.656 1.00 0.00 H
379
+ ATOM 379 HB3 GLU B 107 16.421 10.339 21.246 1.00 0.00 H
380
+ ATOM 380 HG2 GLU B 107 14.769 11.700 21.799 1.00 0.00 H
381
+ ATOM 381 HG3 GLU B 107 13.825 10.503 21.472 1.00 0.00 H
382
+ ATOM 382 C LYS B 108 12.711 10.487 18.081 1.00 0.00 C
383
+ ATOM 383 CA LYS B 108 12.832 8.977 18.293 1.00 0.00 C
384
+ ATOM 384 CB LYS B 108 11.440 8.342 18.252 1.00 0.00 C
385
+ ATOM 385 CD LYS B 108 12.488 6.092 17.966 1.00 0.00 C
386
+ ATOM 386 CE LYS B 108 12.126 4.609 18.069 1.00 0.00 C
387
+ ATOM 387 CG LYS B 108 11.513 6.917 18.807 1.00 0.00 C
388
+ ATOM 388 N LYS B 108 13.462 8.710 19.617 1.00 0.00 N
389
+ ATOM 389 NZ LYS B 108 11.680 4.301 19.458 1.00 0.00 N
390
+ ATOM 390 O LYS B 108 12.654 11.253 19.022 1.00 0.00 O
391
+ ATOM 391 H LYS B 108 12.921 8.455 20.235 1.00 0.00 H
392
+ ATOM 392 HA LYS B 108 13.382 8.595 17.591 1.00 0.00 H
393
+ ATOM 393 HB2 LYS B 108 10.817 8.871 18.774 1.00 0.00 H
394
+ ATOM 394 HB3 LYS B 108 11.107 8.328 17.341 1.00 0.00 H
395
+ ATOM 395 HG2 LYS B 108 11.803 6.934 19.732 1.00 0.00 H
396
+ ATOM 396 HG3 LYS B 108 10.633 6.509 18.793 1.00 0.00 H
397
+ ATOM 397 HD2 LYS B 108 12.454 6.379 17.040 1.00 0.00 H
398
+ ATOM 398 HD3 LYS B 108 13.397 6.235 18.274 1.00 0.00 H
399
+ ATOM 399 HE2 LYS B 108 11.422 4.393 17.438 1.00 0.00 H
400
+ ATOM 400 HE3 LYS B 108 12.893 4.062 17.836 1.00 0.00 H
401
+ ATOM 401 HZ1 LYS B 108 11.761 3.428 19.609 1.00 0.00 H
402
+ ATOM 402 HZ2 LYS B 108 12.184 4.750 20.038 1.00 0.00 H
403
+ ATOM 403 HZ3 LYS B 108 10.829 4.541 19.557 1.00 0.00 H
404
+ ATOM 404 C PHE B 109 11.771 12.600 15.285 1.00 0.00 C
405
+ ATOM 405 CA PHE B 109 12.553 12.382 16.582 1.00 0.00 C
406
+ ATOM 406 CB PHE B 109 13.951 12.990 16.441 1.00 0.00 C
407
+ ATOM 407 CD1 PHE B 109 13.849 14.143 18.682 1.00 0.00 C
408
+ ATOM 408 CD2 PHE B 109 15.716 12.667 18.212 1.00 0.00 C
409
+ ATOM 409 CE1 PHE B 109 14.377 14.406 19.951 1.00 0.00 C
410
+ ATOM 410 CE2 PHE B 109 16.243 12.931 19.482 1.00 0.00 C
411
+ ATOM 411 CG PHE B 109 14.518 13.273 17.812 1.00 0.00 C
412
+ ATOM 412 CZ PHE B 109 15.574 13.800 20.351 1.00 0.00 C
413
+ ATOM 413 N PHE B 109 12.671 10.922 16.851 1.00 0.00 N
414
+ ATOM 414 O PHE B 109 11.888 11.841 14.343 1.00 0.00 O
415
+ ATOM 415 H PHE B 109 12.708 10.422 16.152 1.00 0.00 H
416
+ ATOM 416 HA PHE B 109 12.087 12.809 17.318 1.00 0.00 H
417
+ ATOM 417 HB2 PHE B 109 14.532 12.381 15.960 1.00 0.00 H
418
+ ATOM 418 HB3 PHE B 109 13.907 13.809 15.923 1.00 0.00 H
419
+ ATOM 419 HD1 PHE B 109 13.054 14.546 18.416 1.00 0.00 H
420
+ ATOM 420 HD2 PHE B 109 16.161 12.090 17.634 1.00 0.00 H
421
+ ATOM 421 HE1 PHE B 109 13.933 14.984 20.529 1.00 0.00 H
422
+ ATOM 422 HE2 PHE B 109 17.038 12.529 19.748 1.00 0.00 H
423
+ ATOM 423 HZ PHE B 109 15.925 13.975 21.194 1.00 0.00 H
424
+ ATOM 424 C GLN B 110 10.793 15.086 13.246 1.00 0.00 C
425
+ ATOM 425 CA GLN B 110 10.184 13.897 13.993 1.00 0.00 C
426
+ ATOM 426 CB GLN B 110 8.737 14.218 14.373 1.00 0.00 C
427
+ ATOM 427 CD GLN B 110 6.836 12.685 13.847 1.00 0.00 C
428
+ ATOM 428 CG GLN B 110 8.019 12.932 14.784 1.00 0.00 C
429
+ ATOM 429 N GLN B 110 10.973 13.631 15.229 1.00 0.00 N
430
+ ATOM 430 NE2 GLN B 110 6.957 11.819 12.878 1.00 0.00 N
431
+ ATOM 431 O GLN B 110 10.527 16.230 13.558 1.00 0.00 O
432
+ ATOM 432 OE1 GLN B 110 5.791 13.287 13.997 1.00 0.00 O
433
+ ATOM 433 H GLN B 110 10.855 14.196 15.867 1.00 0.00 H
434
+ ATOM 434 HA GLN B 110 10.202 13.114 13.421 1.00 0.00 H
435
+ ATOM 435 HB2 GLN B 110 8.718 14.857 15.102 1.00 0.00 H
436
+ ATOM 436 HB3 GLN B 110 8.279 14.630 13.623 1.00 0.00 H
437
+ ATOM 437 HG2 GLN B 110 8.633 12.182 14.749 1.00 0.00 H
438
+ ATOM 438 HG3 GLN B 110 7.709 13.002 15.700 1.00 0.00 H
439
+ ATOM 439 HE21 GLN B 110 7.697 11.393 12.772 1.00 0.00 H
440
+ ATOM 440 HE22 GLN B 110 6.297 11.674 12.346 1.00 0.00 H
441
+ ATOM 441 C ILE B 111 11.162 16.668 10.683 1.00 0.00 C
442
+ ATOM 442 CA ILE B 111 12.234 15.942 11.497 1.00 0.00 C
443
+ ATOM 443 CB ILE B 111 13.299 15.381 10.553 1.00 0.00 C
444
+ ATOM 444 CD1 ILE B 111 14.887 15.663 12.460 1.00 0.00 C
445
+ ATOM 445 CG1 ILE B 111 14.397 14.703 11.374 1.00 0.00 C
446
+ ATOM 446 CG2 ILE B 111 13.908 16.521 9.735 1.00 0.00 C
447
+ ATOM 447 N ILE B 111 11.609 14.826 12.261 1.00 0.00 N
448
+ ATOM 448 O ILE B 111 10.628 16.139 9.728 1.00 0.00 O
449
+ ATOM 449 H ILE B 111 11.829 14.036 12.001 1.00 0.00 H
450
+ ATOM 450 HA ILE B 111 12.646 16.565 12.116 1.00 0.00 H
451
+ ATOM 451 HB ILE B 111 12.893 14.734 9.954 1.00 0.00 H
452
+ ATOM 452 HG12 ILE B 111 14.057 13.889 11.777 1.00 0.00 H
453
+ ATOM 453 HG13 ILE B 111 15.134 14.447 10.798 1.00 0.00 H
454
+ ATOM 454 HG21 ILE B 111 14.583 16.165 9.136 1.00 0.00 H
455
+ ATOM 455 HG22 ILE B 111 13.213 16.955 9.216 1.00 0.00 H
456
+ ATOM 456 HG23 ILE B 111 14.315 17.167 10.333 1.00 0.00 H
457
+ ATOM 457 HD11 ILE B 111 15.583 15.234 12.981 1.00 0.00 H
458
+ ATOM 458 HD12 ILE B 111 15.241 16.466 12.047 1.00 0.00 H
459
+ ATOM 459 HD13 ILE B 111 14.147 15.899 13.042 1.00 0.00 H
460
+ ATOM 460 C LEU B 112 10.487 19.465 9.204 1.00 0.00 C
461
+ ATOM 461 CA LEU B 112 9.809 18.640 10.297 1.00 0.00 C
462
+ ATOM 462 CB LEU B 112 9.061 19.575 11.251 1.00 0.00 C
463
+ ATOM 463 CD1 LEU B 112 8.290 19.898 13.605 1.00 0.00 C
464
+ ATOM 464 CD2 LEU B 112 8.109 17.651 12.530 1.00 0.00 C
465
+ ATOM 465 CG LEU B 112 8.954 18.923 12.631 1.00 0.00 C
466
+ ATOM 466 N LEU B 112 10.844 17.879 11.052 1.00 0.00 N
467
+ ATOM 467 O LEU B 112 10.026 19.529 8.082 1.00 0.00 O
468
+ ATOM 468 H LEU B 112 11.191 18.296 11.719 1.00 0.00 H
469
+ ATOM 469 HA LEU B 112 9.180 18.020 9.896 1.00 0.00 H
470
+ ATOM 470 HB2 LEU B 112 9.527 20.423 11.319 1.00 0.00 H
471
+ ATOM 471 HB3 LEU B 112 8.176 19.765 10.904 1.00 0.00 H
472
+ ATOM 472 HG LEU B 112 9.841 18.698 12.952 1.00 0.00 H
473
+ ATOM 473 HD11 LEU B 112 8.222 19.485 14.480 1.00 0.00 H
474
+ ATOM 474 HD12 LEU B 112 8.824 20.705 13.669 1.00 0.00 H
475
+ ATOM 475 HD13 LEU B 112 7.403 20.123 13.284 1.00 0.00 H
476
+ ATOM 476 HD21 LEU B 112 8.041 17.237 13.405 1.00 0.00 H
477
+ ATOM 477 HD22 LEU B 112 7.222 17.876 12.209 1.00 0.00 H
478
+ ATOM 478 HD23 LEU B 112 8.528 17.032 11.912 1.00 0.00 H
479
+ ATOM 479 C ASN B 113 13.787 20.575 8.534 1.00 0.00 C
480
+ ATOM 480 CA ASN B 113 12.295 20.917 8.508 1.00 0.00 C
481
+ ATOM 481 CB ASN B 113 12.106 22.402 8.827 1.00 0.00 C
482
+ ATOM 482 CG ASN B 113 11.813 23.167 7.536 1.00 0.00 C
483
+ ATOM 483 N ASN B 113 11.581 20.096 9.525 1.00 0.00 N
484
+ ATOM 484 ND2 ASN B 113 12.780 23.383 6.686 1.00 0.00 N
485
+ ATOM 485 O ASN B 113 14.443 20.693 9.550 1.00 0.00 O
486
+ ATOM 486 OD1 ASN B 113 10.693 23.574 7.297 1.00 0.00 O
487
+ ATOM 487 H ASN B 113 11.945 20.082 10.304 1.00 0.00 H
488
+ ATOM 488 HA ASN B 113 11.935 20.727 7.628 1.00 0.00 H
489
+ ATOM 489 HB2 ASN B 113 11.376 22.517 9.456 1.00 0.00 H
490
+ ATOM 490 HB3 ASN B 113 12.904 22.756 9.250 1.00 0.00 H
491
+ ATOM 491 HD21 ASN B 113 12.624 23.813 5.958 1.00 0.00 H
492
+ ATOM 492 HD22 ASN B 113 13.573 23.095 6.854 1.00 0.00 H
493
+ ATOM 493 C SER B 114 16.413 20.380 6.123 1.00 0.00 C
494
+ ATOM 494 CA SER B 114 15.776 19.800 7.389 1.00 0.00 C
495
+ ATOM 495 CB SER B 114 15.931 18.278 7.386 1.00 0.00 C
496
+ ATOM 496 N SER B 114 14.328 20.151 7.424 1.00 0.00 N
497
+ ATOM 497 O SER B 114 17.051 19.680 5.362 1.00 0.00 O
498
+ ATOM 498 OG SER B 114 14.983 17.712 6.490 1.00 0.00 O
499
+ ATOM 499 H SER B 114 13.909 20.051 6.680 1.00 0.00 H
500
+ ATOM 500 HA SER B 114 16.217 20.169 8.170 1.00 0.00 H
501
+ ATOM 501 HB2 SER B 114 16.831 18.034 7.118 1.00 0.00 H
502
+ ATOM 502 HB3 SER B 114 15.797 17.927 8.280 1.00 0.00 H
503
+ ATOM 503 HG SER B 114 15.055 18.079 5.738 1.00 0.00 H
504
+ ATOM 504 C SER B 115 17.798 23.395 5.095 1.00 0.00 C
505
+ ATOM 505 CA SER B 115 16.843 22.275 4.676 1.00 0.00 C
506
+ ATOM 506 CB SER B 115 15.733 22.857 3.801 1.00 0.00 C
507
+ ATOM 507 N SER B 115 16.246 21.653 5.892 1.00 0.00 N
508
+ ATOM 508 O SER B 115 18.770 23.679 4.425 1.00 0.00 O
509
+ ATOM 509 OG SER B 115 15.139 23.963 4.468 1.00 0.00 O
510
+ ATOM 510 H SER B 115 15.804 22.190 6.398 1.00 0.00 H
511
+ ATOM 511 HA SER B 115 17.330 21.602 4.175 1.00 0.00 H
512
+ ATOM 512 HB2 SER B 115 16.095 23.138 2.946 1.00 0.00 H
513
+ ATOM 513 HB3 SER B 115 15.064 22.180 3.617 1.00 0.00 H
514
+ ATOM 514 HG SER B 115 14.657 23.685 5.097 1.00 0.00 H
515
+ ATOM 515 C GLU B 116 19.838 24.606 6.834 1.00 0.00 C
516
+ ATOM 516 CA GLU B 116 18.411 25.132 6.670 1.00 0.00 C
517
+ ATOM 517 CB GLU B 116 17.894 25.656 8.012 1.00 0.00 C
518
+ ATOM 518 CD GLU B 116 17.587 25.061 10.418 1.00 0.00 C
519
+ ATOM 519 CG GLU B 116 17.801 24.501 9.010 1.00 0.00 C
520
+ ATOM 520 N GLU B 116 17.525 24.031 6.200 1.00 0.00 N
521
+ ATOM 521 O GLU B 116 20.244 23.667 6.180 1.00 0.00 O
522
+ ATOM 522 OE1 GLU B 116 17.761 26.255 10.592 1.00 0.00 O
523
+ ATOM 523 OE2 GLU B 116 17.253 24.285 11.299 1.00 0.00 O
524
+ ATOM 524 H GLU B 116 16.849 23.866 6.706 1.00 0.00 H
525
+ ATOM 525 HA GLU B 116 18.411 25.852 6.020 1.00 0.00 H
526
+ ATOM 526 HB2 GLU B 116 18.488 26.343 8.352 1.00 0.00 H
527
+ ATOM 527 HB3 GLU B 116 17.023 26.067 7.896 1.00 0.00 H
528
+ ATOM 528 HG2 GLU B 116 17.068 23.912 8.771 1.00 0.00 H
529
+ ATOM 529 HG3 GLU B 116 18.612 23.970 8.982 1.00 0.00 H
530
+ ATOM 530 C GLY B 117 22.036 23.254 8.189 1.00 0.00 C
531
+ ATOM 531 CA GLY B 117 22.008 24.759 7.907 1.00 0.00 C
532
+ ATOM 532 N GLY B 117 20.602 25.212 7.698 1.00 0.00 N
533
+ ATOM 533 O GLY B 117 21.098 22.537 7.904 1.00 0.00 O
534
+ ATOM 534 H GLY B 117 20.359 25.880 8.182 1.00 0.00 H
535
+ ATOM 535 HA2 GLY B 117 22.540 24.959 7.121 1.00 0.00 H
536
+ ATOM 536 HA3 GLY B 117 22.405 25.242 8.649 1.00 0.00 H
537
+ ATOM 537 C ASP B 118 22.339 20.964 10.254 1.00 0.00 C
538
+ ATOM 538 CA ASP B 118 23.212 21.312 9.045 1.00 0.00 C
539
+ ATOM 539 CB ASP B 118 24.667 20.957 9.353 1.00 0.00 C
540
+ ATOM 540 CG ASP B 118 25.555 21.383 8.183 1.00 0.00 C
541
+ ATOM 541 N ASP B 118 23.113 22.770 8.747 1.00 0.00 N
542
+ ATOM 542 O ASP B 118 22.303 19.833 10.696 1.00 0.00 O
543
+ ATOM 543 OD1 ASP B 118 25.231 22.374 7.550 1.00 0.00 O
544
+ ATOM 544 OD2 ASP B 118 26.545 20.713 7.942 1.00 0.00 O
545
+ ATOM 545 H ASP B 118 23.801 23.235 8.968 1.00 0.00 H
546
+ ATOM 546 HA ASP B 118 22.905 20.808 8.275 1.00 0.00 H
547
+ ATOM 547 HB2 ASP B 118 24.953 21.401 10.167 1.00 0.00 H
548
+ ATOM 548 HB3 ASP B 118 24.752 20.003 9.505 1.00 0.00 H
549
+ ATOM 549 C TRP B 119 19.307 21.654 11.560 1.00 0.00 C
550
+ ATOM 550 CA TRP B 119 20.778 21.633 11.977 1.00 0.00 C
551
+ ATOM 551 CB TRP B 119 21.020 22.691 13.054 1.00 0.00 C
552
+ ATOM 552 CD1 TRP B 119 23.519 22.352 13.188 1.00 0.00 C
553
+ ATOM 553 CD2 TRP B 119 22.503 22.080 15.175 1.00 0.00 C
554
+ ATOM 554 CE2 TRP B 119 23.884 21.863 15.392 1.00 0.00 C
555
+ ATOM 555 CE3 TRP B 119 21.633 21.968 16.275 1.00 0.00 C
556
+ ATOM 556 CG TRP B 119 22.298 22.389 13.767 1.00 0.00 C
557
+ ATOM 557 CH2 TRP B 119 23.508 21.438 17.737 1.00 0.00 C
558
+ ATOM 558 CZ2 TRP B 119 24.385 21.546 16.655 1.00 0.00 C
559
+ ATOM 559 CZ3 TRP B 119 22.134 21.649 17.548 1.00 0.00 C
560
+ ATOM 560 N TRP B 119 21.639 21.922 10.796 1.00 0.00 N
561
+ ATOM 561 NE1 TRP B 119 24.461 22.040 14.151 1.00 0.00 N
562
+ ATOM 562 O TRP B 119 18.833 22.603 10.967 1.00 0.00 O
563
+ ATOM 563 H TRP B 119 21.628 22.738 10.524 1.00 0.00 H
564
+ ATOM 564 HA TRP B 119 20.998 20.756 12.329 1.00 0.00 H
565
+ ATOM 565 HB2 TRP B 119 21.063 23.573 12.652 1.00 0.00 H
566
+ ATOM 566 HB3 TRP B 119 20.282 22.702 13.683 1.00 0.00 H
567
+ ATOM 567 HD1 TRP B 119 23.696 22.510 12.289 1.00 0.00 H
568
+ ATOM 568 HE1 TRP B 119 25.304 21.965 13.996 1.00 0.00 H
569
+ ATOM 569 HE3 TRP B 119 20.721 22.106 16.159 1.00 0.00 H
570
+ ATOM 570 HZ2 TRP B 119 25.297 21.408 16.776 1.00 0.00 H
571
+ ATOM 571 HZ3 TRP B 119 21.552 21.577 18.270 1.00 0.00 H
572
+ ATOM 572 HH2 TRP B 119 23.835 21.226 18.582 1.00 0.00 H
573
+ ATOM 573 C TRP B 120 16.280 20.705 12.750 1.00 0.00 C
574
+ ATOM 574 CA TRP B 120 17.138 20.576 11.490 1.00 0.00 C
575
+ ATOM 575 CB TRP B 120 16.821 19.247 10.801 1.00 0.00 C
576
+ ATOM 576 CD1 TRP B 120 18.669 19.887 9.199 1.00 0.00 C
577
+ ATOM 577 CD2 TRP B 120 18.164 17.697 9.108 1.00 0.00 C
578
+ ATOM 578 CE2 TRP B 120 19.201 17.913 8.171 1.00 0.00 C
579
+ ATOM 579 CE3 TRP B 120 17.659 16.392 9.250 1.00 0.00 C
580
+ ATOM 580 CG TRP B 120 17.844 18.967 9.748 1.00 0.00 C
581
+ ATOM 581 CH2 TRP B 120 19.205 15.581 7.553 1.00 0.00 C
582
+ ATOM 582 CZ2 TRP B 120 19.719 16.872 7.400 1.00 0.00 C
583
+ ATOM 583 CZ3 TRP B 120 18.177 15.341 8.476 1.00 0.00 C
584
+ ATOM 584 N TRP B 120 18.579 20.614 11.867 1.00 0.00 N
585
+ ATOM 585 NE1 TRP B 120 19.475 19.264 8.263 1.00 0.00 N
586
+ ATOM 586 O TRP B 120 16.770 20.618 13.858 1.00 0.00 O
587
+ ATOM 587 H TRP B 120 18.867 19.919 12.284 1.00 0.00 H
588
+ ATOM 588 HA TRP B 120 16.946 21.309 10.885 1.00 0.00 H
589
+ ATOM 589 HB2 TRP B 120 16.811 18.529 11.453 1.00 0.00 H
590
+ ATOM 590 HB3 TRP B 120 15.937 19.282 10.404 1.00 0.00 H
591
+ ATOM 591 HD1 TRP B 120 18.691 20.791 9.415 1.00 0.00 H
592
+ ATOM 592 HE1 TRP B 120 20.073 19.668 7.796 1.00 0.00 H
593
+ ATOM 593 HE3 TRP B 120 16.978 16.224 9.860 1.00 0.00 H
594
+ ATOM 594 HZ2 TRP B 120 20.401 17.036 6.789 1.00 0.00 H
595
+ ATOM 595 HZ3 TRP B 120 17.837 14.481 8.576 1.00 0.00 H
596
+ ATOM 596 HH2 TRP B 120 19.545 14.882 7.043 1.00 0.00 H
597
+ ATOM 597 C GLU B 121 13.310 19.744 13.948 1.00 0.00 C
598
+ ATOM 598 CA GLU B 121 14.112 21.036 13.777 1.00 0.00 C
599
+ ATOM 599 CB GLU B 121 13.153 22.210 13.575 1.00 0.00 C
600
+ ATOM 600 CD GLU B 121 11.746 23.427 11.908 1.00 0.00 C
601
+ ATOM 601 CG GLU B 121 12.809 22.343 12.091 1.00 0.00 C
602
+ ATOM 602 N GLU B 121 15.002 20.907 12.589 1.00 0.00 N
603
+ ATOM 603 O GLU B 121 12.450 19.426 13.152 1.00 0.00 O
604
+ ATOM 604 OE1 GLU B 121 10.585 23.138 12.149 1.00 0.00 O
605
+ ATOM 605 OE2 GLU B 121 12.109 24.529 11.530 1.00 0.00 O
606
+ ATOM 606 H GLU B 121 14.608 20.976 11.828 1.00 0.00 H
607
+ ATOM 607 HA GLU B 121 14.649 21.194 14.569 1.00 0.00 H
608
+ ATOM 608 HB2 GLU B 121 12.344 22.072 14.093 1.00 0.00 H
609
+ ATOM 609 HB3 GLU B 121 13.559 23.030 13.897 1.00 0.00 H
610
+ ATOM 610 HG2 GLU B 121 13.605 22.568 11.584 1.00 0.00 H
611
+ ATOM 611 HG3 GLU B 121 12.484 21.496 11.748 1.00 0.00 H
612
+ ATOM 612 C ALA B 122 11.897 17.879 16.389 1.00 0.00 C
613
+ ATOM 613 CA ALA B 122 12.842 17.723 15.196 1.00 0.00 C
614
+ ATOM 614 CB ALA B 122 13.833 16.592 15.475 1.00 0.00 C
615
+ ATOM 615 N ALA B 122 13.587 18.994 14.980 1.00 0.00 N
616
+ ATOM 616 O ALA B 122 12.083 18.731 17.235 1.00 0.00 O
617
+ ATOM 617 H ALA B 122 14.185 19.174 15.571 1.00 0.00 H
618
+ ATOM 618 HA ALA B 122 12.326 17.513 14.402 1.00 0.00 H
619
+ ATOM 619 HB1 ALA B 122 13.348 15.764 15.616 1.00 0.00 H
620
+ ATOM 620 HB2 ALA B 122 14.431 16.491 14.718 1.00 0.00 H
621
+ ATOM 621 HB3 ALA B 122 14.350 16.803 16.269 1.00 0.00 H
622
+ ATOM 622 C ARG B 123 10.065 15.914 18.485 1.00 0.00 C
623
+ ATOM 623 CA ARG B 123 9.928 17.155 17.602 1.00 0.00 C
624
+ ATOM 624 CB ARG B 123 8.499 17.243 17.059 1.00 0.00 C
625
+ ATOM 625 CD ARG B 123 6.498 16.907 18.519 1.00 0.00 C
626
+ ATOM 626 CG ARG B 123 7.593 17.893 18.107 1.00 0.00 C
627
+ ATOM 627 CZ ARG B 123 4.563 17.369 17.135 1.00 0.00 C
628
+ ATOM 628 N ARG B 123 10.885 17.059 16.464 1.00 0.00 N
629
+ ATOM 629 NE ARG B 123 5.616 16.628 17.350 1.00 0.00 N
630
+ ATOM 630 NH1 ARG B 123 4.527 18.597 17.578 1.00 0.00 N
631
+ ATOM 631 NH2 ARG B 123 3.547 16.883 16.475 1.00 0.00 N
632
+ ATOM 632 O ARG B 123 9.937 14.796 18.026 1.00 0.00 O
633
+ ATOM 633 H ARG B 123 10.712 16.441 15.892 1.00 0.00 H
634
+ ATOM 634 HA ARG B 123 10.123 17.948 18.126 1.00 0.00 H
635
+ ATOM 635 HB2 ARG B 123 8.486 17.762 16.240 1.00 0.00 H
636
+ ATOM 636 HB3 ARG B 123 8.171 16.357 16.839 1.00 0.00 H
637
+ ATOM 637 HG2 ARG B 123 8.115 18.154 18.882 1.00 0.00 H
638
+ ATOM 638 HG3 ARG B 123 7.195 18.701 17.748 1.00 0.00 H
639
+ ATOM 639 HD2 ARG B 123 6.896 16.083 18.841 1.00 0.00 H
640
+ ATOM 640 HD3 ARG B 123 5.977 17.274 19.250 1.00 0.00 H
641
+ ATOM 641 HE ARG B 123 5.801 15.979 16.817 1.00 0.00 H
642
+ ATOM 642 HH11 ARG B 123 5.197 18.918 18.011 1.00 0.00 H
643
+ ATOM 643 HH12 ARG B 123 3.833 19.085 17.436 1.00 0.00 H
644
+ ATOM 644 HH21 ARG B 123 3.571 16.075 16.182 1.00 0.00 H
645
+ ATOM 645 HH22 ARG B 123 2.853 17.371 16.333 1.00 0.00 H
646
+ ATOM 646 C SER B 124 9.136 14.193 20.767 1.00 0.00 C
647
+ ATOM 647 CA SER B 124 10.474 14.928 20.661 1.00 0.00 C
648
+ ATOM 648 CB SER B 124 10.901 15.412 22.048 1.00 0.00 C
649
+ ATOM 649 N SER B 124 10.327 16.099 19.751 1.00 0.00 N
650
+ ATOM 650 O SER B 124 8.155 14.734 21.237 1.00 0.00 O
651
+ ATOM 651 OG SER B 124 12.099 14.749 22.428 1.00 0.00 O
652
+ ATOM 652 H SER B 124 10.427 16.867 20.124 1.00 0.00 H
653
+ ATOM 653 HA SER B 124 11.147 14.325 20.307 1.00 0.00 H
654
+ ATOM 654 HB2 SER B 124 11.039 16.372 22.039 1.00 0.00 H
655
+ ATOM 655 HB3 SER B 124 10.201 15.233 22.695 1.00 0.00 H
656
+ ATOM 656 HG SER B 124 12.245 14.881 23.245 1.00 0.00 H
657
+ ATOM 657 C LEU B 125 7.516 11.843 21.871 1.00 0.00 C
658
+ ATOM 658 CA LEU B 125 7.813 12.196 20.412 1.00 0.00 C
659
+ ATOM 659 CB LEU B 125 7.940 10.911 19.591 1.00 0.00 C
660
+ ATOM 660 CD1 LEU B 125 8.389 10.063 17.284 1.00 0.00 C
661
+ ATOM 661 CD2 LEU B 125 6.418 11.536 17.712 1.00 0.00 C
662
+ ATOM 662 CG LEU B 125 7.869 11.247 18.101 1.00 0.00 C
663
+ ATOM 663 N LEU B 125 9.088 12.963 20.335 1.00 0.00 N
664
+ ATOM 664 O LEU B 125 6.410 11.479 22.218 1.00 0.00 O
665
+ ATOM 665 H LEU B 125 9.753 12.536 19.995 1.00 0.00 H
666
+ ATOM 666 HA LEU B 125 7.089 12.736 20.057 1.00 0.00 H
667
+ ATOM 667 HB2 LEU B 125 8.779 10.469 19.793 1.00 0.00 H
668
+ ATOM 668 HB3 LEU B 125 7.230 10.294 19.827 1.00 0.00 H
669
+ ATOM 669 HG LEU B 125 8.415 12.028 17.920 1.00 0.00 H
670
+ ATOM 670 HD11 LEU B 125 8.344 10.277 16.339 1.00 0.00 H
671
+ ATOM 671 HD12 LEU B 125 9.309 9.879 17.530 1.00 0.00 H
672
+ ATOM 672 HD13 LEU B 125 7.844 9.281 17.465 1.00 0.00 H
673
+ ATOM 673 HD21 LEU B 125 6.372 11.749 16.767 1.00 0.00 H
674
+ ATOM 674 HD22 LEU B 125 5.872 10.755 17.893 1.00 0.00 H
675
+ ATOM 675 HD23 LEU B 125 6.088 12.288 18.229 1.00 0.00 H
676
+ ATOM 676 C THR B 126 7.815 12.877 24.909 1.00 0.00 C
677
+ ATOM 677 CA THR B 126 8.266 11.619 24.163 1.00 0.00 C
678
+ ATOM 678 CB THR B 126 9.567 11.100 24.781 1.00 0.00 C
679
+ ATOM 679 CG2 THR B 126 9.383 10.924 26.289 1.00 0.00 C
680
+ ATOM 680 N THR B 126 8.494 11.948 22.728 1.00 0.00 N
681
+ ATOM 681 O THR B 126 6.687 12.978 25.351 1.00 0.00 O
682
+ ATOM 682 OG1 THR B 126 9.903 9.852 24.193 1.00 0.00 O
683
+ ATOM 683 H THR B 126 9.293 12.200 22.533 1.00 0.00 H
684
+ ATOM 684 HA THR B 126 7.580 10.937 24.233 1.00 0.00 H
685
+ ATOM 685 HB THR B 126 10.280 11.737 24.617 1.00 0.00 H
686
+ ATOM 686 HG1 THR B 126 10.536 9.502 24.621 1.00 0.00 H
687
+ ATOM 687 HG21 THR B 126 10.208 10.595 26.680 1.00 0.00 H
688
+ ATOM 688 HG22 THR B 126 9.154 11.777 26.689 1.00 0.00 H
689
+ ATOM 689 HG23 THR B 126 8.670 10.288 26.456 1.00 0.00 H
690
+ ATOM 690 C THR B 127 7.233 15.825 24.968 1.00 0.00 C
691
+ ATOM 691 CA THR B 127 8.310 15.087 25.767 1.00 0.00 C
692
+ ATOM 692 CB THR B 127 9.543 15.982 25.911 1.00 0.00 C
693
+ ATOM 693 CG2 THR B 127 10.569 15.298 26.816 1.00 0.00 C
694
+ ATOM 694 N THR B 127 8.687 13.837 25.051 1.00 0.00 N
695
+ ATOM 695 O THR B 127 6.201 16.193 25.492 1.00 0.00 O
696
+ ATOM 696 OG1 THR B 127 10.114 16.209 24.630 1.00 0.00 O
697
+ ATOM 697 H THR B 127 9.495 13.814 24.756 1.00 0.00 H
698
+ ATOM 698 HA THR B 127 7.966 14.867 26.647 1.00 0.00 H
699
+ ATOM 699 HB THR B 127 9.283 16.830 26.304 1.00 0.00 H
700
+ ATOM 700 HG1 THR B 127 10.943 16.077 24.665 1.00 0.00 H
701
+ ATOM 701 HG21 THR B 127 11.350 15.866 26.907 1.00 0.00 H
702
+ ATOM 702 HG22 THR B 127 10.178 15.144 27.690 1.00 0.00 H
703
+ ATOM 703 HG23 THR B 127 10.830 14.449 26.426 1.00 0.00 H
704
+ ATOM 704 C GLY B 128 6.982 18.142 22.497 1.00 0.00 C
705
+ ATOM 705 CA GLY B 128 6.455 16.756 22.871 1.00 0.00 C
706
+ ATOM 706 N GLY B 128 7.466 16.043 23.703 1.00 0.00 N
707
+ ATOM 707 O GLY B 128 6.439 18.812 21.642 1.00 0.00 O
708
+ ATOM 708 H GLY B 128 8.179 15.803 23.287 1.00 0.00 H
709
+ ATOM 709 HA2 GLY B 128 6.265 16.245 22.069 1.00 0.00 H
710
+ ATOM 710 HA3 GLY B 128 5.621 16.838 23.359 1.00 0.00 H
711
+ ATOM 711 C GLU B 129 9.465 19.819 21.553 1.00 0.00 C
712
+ ATOM 712 CA GLU B 129 8.595 19.921 22.807 1.00 0.00 C
713
+ ATOM 713 CB GLU B 129 9.445 20.415 23.979 1.00 0.00 C
714
+ ATOM 714 CD GLU B 129 10.614 19.128 25.773 1.00 0.00 C
715
+ ATOM 715 CG GLU B 129 10.551 19.399 24.268 1.00 0.00 C
716
+ ATOM 716 N GLU B 129 8.036 18.578 23.130 1.00 0.00 N
717
+ ATOM 717 O GLU B 129 10.197 18.867 21.370 1.00 0.00 O
718
+ ATOM 718 OE1 GLU B 129 10.196 19.990 26.528 1.00 0.00 O
719
+ ATOM 719 OE2 GLU B 129 11.079 18.063 26.144 1.00 0.00 O
720
+ ATOM 720 H GLU B 129 8.456 18.144 23.742 1.00 0.00 H
721
+ ATOM 721 HA GLU B 129 7.870 20.545 22.649 1.00 0.00 H
722
+ ATOM 722 HB2 GLU B 129 9.833 21.279 23.769 1.00 0.00 H
723
+ ATOM 723 HB3 GLU B 129 8.890 20.537 24.765 1.00 0.00 H
724
+ ATOM 724 HG2 GLU B 129 10.379 18.574 23.788 1.00 0.00 H
725
+ ATOM 725 HG3 GLU B 129 11.404 19.737 23.954 1.00 0.00 H
726
+ ATOM 726 C THR B 130 11.488 21.568 19.641 1.00 0.00 C
727
+ ATOM 727 CA THR B 130 10.213 20.744 19.443 1.00 0.00 C
728
+ ATOM 728 CB THR B 130 9.407 21.320 18.276 1.00 0.00 C
729
+ ATOM 729 CG2 THR B 130 9.664 20.488 17.018 1.00 0.00 C
730
+ ATOM 730 N THR B 130 9.390 20.791 20.685 1.00 0.00 N
731
+ ATOM 731 O THR B 130 11.568 22.406 20.516 1.00 0.00 O
732
+ ATOM 732 OG1 THR B 130 8.023 21.285 18.595 1.00 0.00 O
733
+ ATOM 733 H THR B 130 8.889 21.485 20.767 1.00 0.00 H
734
+ ATOM 734 HA THR B 130 10.452 19.824 19.248 1.00 0.00 H
735
+ ATOM 735 HB THR B 130 9.679 22.237 18.116 1.00 0.00 H
736
+ ATOM 736 HG1 THR B 130 7.578 21.577 17.945 1.00 0.00 H
737
+ ATOM 737 HG21 THR B 130 9.153 20.853 16.279 1.00 0.00 H
738
+ ATOM 738 HG22 THR B 130 10.609 20.513 16.801 1.00 0.00 H
739
+ ATOM 739 HG23 THR B 130 9.393 19.570 17.176 1.00 0.00 H
740
+ ATOM 740 C GLY B 131 14.647 21.840 17.754 1.00 0.00 C
741
+ ATOM 741 CA GLY B 131 13.757 22.100 18.972 1.00 0.00 C
742
+ ATOM 742 N GLY B 131 12.486 21.333 18.832 1.00 0.00 N
743
+ ATOM 743 O GLY B 131 14.225 21.245 16.782 1.00 0.00 O
744
+ ATOM 744 H GLY B 131 12.477 20.751 18.198 1.00 0.00 H
745
+ ATOM 745 HA2 GLY B 131 13.567 23.048 19.049 1.00 0.00 H
746
+ ATOM 746 HA3 GLY B 131 14.218 21.836 19.784 1.00 0.00 H
747
+ ATOM 747 C TYR B 132 17.939 21.145 17.058 1.00 0.00 C
748
+ ATOM 748 CA TYR B 132 16.786 22.059 16.637 1.00 0.00 C
749
+ ATOM 749 CB TYR B 132 17.346 23.402 16.165 1.00 0.00 C
750
+ ATOM 750 CD1 TYR B 132 15.435 24.938 16.741 1.00 0.00 C
751
+ ATOM 751 CD2 TYR B 132 15.918 24.505 14.405 1.00 0.00 C
752
+ ATOM 752 CE1 TYR B 132 14.375 25.773 16.368 1.00 0.00 C
753
+ ATOM 753 CE2 TYR B 132 14.859 25.340 14.031 1.00 0.00 C
754
+ ATOM 754 CG TYR B 132 16.206 24.304 15.760 1.00 0.00 C
755
+ ATOM 755 CZ TYR B 132 14.087 25.974 15.013 1.00 0.00 C
756
+ ATOM 756 N TYR B 132 15.875 22.281 17.796 1.00 0.00 N
757
+ ATOM 757 O TYR B 132 18.681 21.444 17.972 1.00 0.00 O
758
+ ATOM 758 OH TYR B 132 13.042 26.797 14.644 1.00 0.00 O
759
+ ATOM 759 H TYR B 132 16.222 22.706 18.458 1.00 0.00 H
760
+ ATOM 760 HA TYR B 132 16.292 21.642 15.914 1.00 0.00 H
761
+ ATOM 761 HB2 TYR B 132 17.863 23.816 16.874 1.00 0.00 H
762
+ ATOM 762 HB3 TYR B 132 17.948 23.268 15.416 1.00 0.00 H
763
+ ATOM 763 HD1 TYR B 132 15.627 24.805 17.641 1.00 0.00 H
764
+ ATOM 764 HD2 TYR B 132 16.430 24.084 13.753 1.00 0.00 H
765
+ ATOM 765 HE1 TYR B 132 13.863 26.194 17.020 1.00 0.00 H
766
+ ATOM 766 HE2 TYR B 132 14.668 25.474 13.131 1.00 0.00 H
767
+ ATOM 767 HH TYR B 132 12.962 26.791 13.808 1.00 0.00 H
768
+ ATOM 768 C ILE B 133 20.107 18.896 15.534 1.00 0.00 C
769
+ ATOM 769 CA ILE B 133 19.201 19.099 16.752 1.00 0.00 C
770
+ ATOM 770 CB ILE B 133 18.612 17.754 17.182 1.00 0.00 C
771
+ ATOM 771 CD1 ILE B 133 18.101 15.777 15.741 1.00 0.00 C
772
+ ATOM 772 CG1 ILE B 133 17.705 17.217 16.072 1.00 0.00 C
773
+ ATOM 773 CG2 ILE B 133 17.794 17.941 18.461 1.00 0.00 C
774
+ ATOM 774 N ILE B 133 18.096 20.032 16.394 1.00 0.00 N
775
+ ATOM 775 O ILE B 133 19.701 19.135 14.414 1.00 0.00 O
776
+ ATOM 776 H ILE B 133 17.599 19.776 15.740 1.00 0.00 H
777
+ ATOM 777 HA ILE B 133 19.719 19.472 17.482 1.00 0.00 H
778
+ ATOM 778 HB ILE B 133 19.331 17.124 17.347 1.00 0.00 H
779
+ ATOM 779 HG12 ILE B 133 16.778 17.251 16.354 1.00 0.00 H
780
+ ATOM 780 HG13 ILE B 133 17.781 17.774 15.281 1.00 0.00 H
781
+ ATOM 781 HG21 ILE B 133 17.420 17.088 18.734 1.00 0.00 H
782
+ ATOM 782 HG22 ILE B 133 18.367 18.283 19.165 1.00 0.00 H
783
+ ATOM 783 HG23 ILE B 133 17.075 18.571 18.296 1.00 0.00 H
784
+ ATOM 784 HD11 ILE B 133 17.526 15.437 15.038 1.00 0.00 H
785
+ ATOM 785 HD12 ILE B 133 19.024 15.755 15.443 1.00 0.00 H
786
+ ATOM 786 HD13 ILE B 133 18.004 15.225 16.532 1.00 0.00 H
787
+ ATOM 787 C PRO B 134 21.777 17.161 13.755 1.00 0.00 C
788
+ ATOM 788 CA PRO B 134 22.303 18.213 14.734 1.00 0.00 C
789
+ ATOM 789 CB PRO B 134 23.547 17.697 15.473 1.00 0.00 C
790
+ ATOM 790 CD PRO B 134 21.776 18.176 17.163 1.00 0.00 C
791
+ ATOM 791 CG PRO B 134 23.216 17.667 16.988 1.00 0.00 C
792
+ ATOM 792 N PRO B 134 21.311 18.460 15.795 1.00 0.00 N
793
+ ATOM 793 O PRO B 134 21.395 16.075 14.143 1.00 0.00 O
794
+ ATOM 794 HA PRO B 134 22.495 19.008 14.212 1.00 0.00 H
795
+ ATOM 795 HB2 PRO B 134 23.786 16.811 15.159 1.00 0.00 H
796
+ ATOM 796 HB3 PRO B 134 24.308 18.274 15.302 1.00 0.00 H
797
+ ATOM 797 HG2 PRO B 134 23.303 16.766 17.337 1.00 0.00 H
798
+ ATOM 798 HG3 PRO B 134 23.836 18.225 17.483 1.00 0.00 H
799
+ ATOM 799 HD2 PRO B 134 21.217 17.511 17.594 1.00 0.00 H
800
+ ATOM 800 HD3 PRO B 134 21.748 18.972 17.717 1.00 0.00 H
801
+ ATOM 801 C SER B 135 22.189 15.298 11.422 1.00 0.00 C
802
+ ATOM 802 CA SER B 135 21.243 16.499 11.489 1.00 0.00 C
803
+ ATOM 803 CB SER B 135 21.174 17.173 10.120 1.00 0.00 C
804
+ ATOM 804 N SER B 135 21.748 17.476 12.490 1.00 0.00 N
805
+ ATOM 805 O SER B 135 21.781 14.189 11.139 1.00 0.00 O
806
+ ATOM 806 OG SER B 135 22.464 17.658 9.769 1.00 0.00 O
807
+ ATOM 807 H SER B 135 22.005 18.230 12.167 1.00 0.00 H
808
+ ATOM 808 HA SER B 135 20.359 16.195 11.748 1.00 0.00 H
809
+ ATOM 809 HB2 SER B 135 20.862 16.542 9.453 1.00 0.00 H
810
+ ATOM 810 HB3 SER B 135 20.537 17.904 10.140 1.00 0.00 H
811
+ ATOM 811 HG SER B 135 22.654 18.321 10.248 1.00 0.00 H
812
+ ATOM 812 C ASN B 136 24.241 13.495 12.874 1.00 0.00 C
813
+ ATOM 813 CA ASN B 136 24.420 14.376 11.632 1.00 0.00 C
814
+ ATOM 814 CB ASN B 136 25.851 14.932 11.579 1.00 0.00 C
815
+ ATOM 815 CG ASN B 136 26.605 14.586 12.867 1.00 0.00 C
816
+ ATOM 816 N ASN B 136 23.452 15.508 11.682 1.00 0.00 N
817
+ ATOM 817 ND2 ASN B 136 26.337 15.241 13.963 1.00 0.00 N
818
+ ATOM 818 O ASN B 136 24.943 12.522 13.062 1.00 0.00 O
819
+ ATOM 819 OD1 ASN B 136 27.447 13.709 12.874 1.00 0.00 O
820
+ ATOM 820 H ASN B 136 23.791 16.271 11.888 1.00 0.00 H
821
+ ATOM 821 HA ASN B 136 24.258 13.840 10.840 1.00 0.00 H
822
+ ATOM 822 HB2 ASN B 136 26.320 14.563 10.814 1.00 0.00 H
823
+ ATOM 823 HB3 ASN B 136 25.826 15.894 11.460 1.00 0.00 H
824
+ ATOM 824 HD21 ASN B 136 26.756 15.052 14.690 1.00 0.00 H
825
+ ATOM 825 HD22 ASN B 136 25.741 15.861 13.958 1.00 0.00 H
826
+ ATOM 826 C TYR B 137 21.768 12.247 14.823 1.00 0.00 C
827
+ ATOM 827 CA TYR B 137 23.086 13.014 14.948 1.00 0.00 C
828
+ ATOM 828 CB TYR B 137 23.024 13.936 16.168 1.00 0.00 C
829
+ ATOM 829 CD1 TYR B 137 25.514 13.563 16.272 1.00 0.00 C
830
+ ATOM 830 CD2 TYR B 137 24.315 14.015 18.331 1.00 0.00 C
831
+ ATOM 831 CE1 TYR B 137 26.712 13.470 16.990 1.00 0.00 C
832
+ ATOM 832 CE2 TYR B 137 25.513 13.921 19.049 1.00 0.00 C
833
+ ATOM 833 CG TYR B 137 24.316 13.836 16.942 1.00 0.00 C
834
+ ATOM 834 CZ TYR B 137 26.711 13.649 18.378 1.00 0.00 C
835
+ ATOM 835 N TYR B 137 23.307 13.830 13.722 1.00 0.00 N
836
+ ATOM 836 O TYR B 137 21.278 11.679 15.779 1.00 0.00 O
837
+ ATOM 837 OH TYR B 137 27.892 13.557 19.086 1.00 0.00 O
838
+ ATOM 838 H TYR B 137 22.785 14.508 13.634 1.00 0.00 H
839
+ ATOM 839 HA TYR B 137 23.817 12.385 15.053 1.00 0.00 H
840
+ ATOM 840 HB2 TYR B 137 22.875 14.852 15.886 1.00 0.00 H
841
+ ATOM 841 HB3 TYR B 137 22.277 13.689 16.735 1.00 0.00 H
842
+ ATOM 842 HD1 TYR B 137 25.514 13.443 15.350 1.00 0.00 H
843
+ ATOM 843 HD2 TYR B 137 23.519 14.196 18.776 1.00 0.00 H
844
+ ATOM 844 HE1 TYR B 137 27.508 13.289 16.545 1.00 0.00 H
845
+ ATOM 845 HE2 TYR B 137 25.513 14.039 19.971 1.00 0.00 H
846
+ ATOM 846 HH TYR B 137 27.747 13.727 19.896 1.00 0.00 H
847
+ ATOM 847 C VAL B 138 19.880 10.820 12.102 1.00 0.00 C
848
+ ATOM 848 CA VAL B 138 19.903 11.491 13.476 1.00 0.00 C
849
+ ATOM 849 CB VAL B 138 18.736 12.475 13.583 1.00 0.00 C
850
+ ATOM 850 CG1 VAL B 138 18.736 13.120 14.970 1.00 0.00 C
851
+ ATOM 851 CG2 VAL B 138 18.888 13.562 12.517 1.00 0.00 C
852
+ ATOM 852 N VAL B 138 21.188 12.224 13.654 1.00 0.00 N
853
+ ATOM 853 O VAL B 138 20.496 11.283 11.163 1.00 0.00 O
854
+ ATOM 854 H VAL B 138 21.491 12.609 12.947 1.00 0.00 H
855
+ ATOM 855 HA VAL B 138 19.821 10.814 14.166 1.00 0.00 H
856
+ ATOM 856 HB VAL B 138 17.901 12.001 13.447 1.00 0.00 H
857
+ ATOM 857 HG11 VAL B 138 17.996 13.744 15.037 1.00 0.00 H
858
+ ATOM 858 HG12 VAL B 138 18.641 12.432 15.647 1.00 0.00 H
859
+ ATOM 859 HG13 VAL B 138 19.571 13.594 15.107 1.00 0.00 H
860
+ ATOM 860 HG21 VAL B 138 18.149 14.187 12.584 1.00 0.00 H
861
+ ATOM 861 HG22 VAL B 138 19.724 14.035 12.654 1.00 0.00 H
862
+ ATOM 862 HG23 VAL B 138 18.888 13.155 11.637 1.00 0.00 H
863
+ ATOM 863 C ALA B 139 17.717 8.413 10.486 1.00 0.00 C
864
+ ATOM 864 CA ALA B 139 19.106 9.031 10.663 1.00 0.00 C
865
+ ATOM 865 CB ALA B 139 20.164 7.926 10.621 1.00 0.00 C
866
+ ATOM 866 N ALA B 139 19.171 9.732 11.976 1.00 0.00 N
867
+ ATOM 867 O ALA B 139 16.995 8.227 11.445 1.00 0.00 O
868
+ ATOM 868 H ALA B 139 18.718 9.366 12.609 1.00 0.00 H
869
+ ATOM 869 HA ALA B 139 19.273 9.665 9.948 1.00 0.00 H
870
+ ATOM 870 HB1 ALA B 139 20.122 7.470 9.766 1.00 0.00 H
871
+ ATOM 871 HB2 ALA B 139 21.045 8.316 10.735 1.00 0.00 H
872
+ ATOM 872 HB3 ALA B 139 19.997 7.291 11.335 1.00 0.00 H
873
+ ATOM 873 C PRO B 140 15.927 6.165 9.622 1.00 0.00 C
874
+ ATOM 874 CA PRO B 140 16.090 7.511 8.913 1.00 0.00 C
875
+ ATOM 875 CB PRO B 140 16.139 7.319 7.391 1.00 0.00 C
876
+ ATOM 876 CD PRO B 140 18.290 8.350 8.117 1.00 0.00 C
877
+ ATOM 877 CG PRO B 140 17.515 7.836 6.894 1.00 0.00 C
878
+ ATOM 878 N PRO B 140 17.390 8.113 9.258 1.00 0.00 N
879
+ ATOM 879 O PRO B 140 16.887 5.463 9.873 1.00 0.00 O
880
+ ATOM 880 HA PRO B 140 15.341 8.064 9.186 1.00 0.00 H
881
+ ATOM 881 HB2 PRO B 140 16.024 6.383 7.162 1.00 0.00 H
882
+ ATOM 882 HB3 PRO B 140 15.418 7.806 6.963 1.00 0.00 H
883
+ ATOM 883 HG2 PRO B 140 18.007 7.125 6.453 1.00 0.00 H
884
+ ATOM 884 HG3 PRO B 140 17.397 8.545 6.243 1.00 0.00 H
885
+ ATOM 885 HD2 PRO B 140 19.130 7.877 8.226 1.00 0.00 H
886
+ ATOM 886 HD3 PRO B 140 18.505 9.292 8.028 1.00 0.00 H
887
+ ATOM 887 C VAL B 141 15.222 3.386 9.884 1.00 0.00 C
888
+ ATOM 888 CA VAL B 141 14.494 4.499 10.641 1.00 0.00 C
889
+ ATOM 889 CB VAL B 141 12.996 4.196 10.681 1.00 0.00 C
890
+ ATOM 890 CG1 VAL B 141 12.768 2.821 11.311 1.00 0.00 C
891
+ ATOM 891 CG2 VAL B 141 12.284 5.263 11.515 1.00 0.00 C
892
+ ATOM 892 N VAL B 141 14.718 5.799 9.948 1.00 0.00 N
893
+ ATOM 893 O VAL B 141 14.659 2.882 8.926 1.00 0.00 O
894
+ ATOM 894 H VAL B 141 14.008 6.258 9.793 1.00 0.00 H
895
+ ATOM 895 HA VAL B 141 14.837 4.550 11.547 1.00 0.00 H
896
+ ATOM 896 HB VAL B 141 12.642 4.199 9.778 1.00 0.00 H
897
+ ATOM 897 HG11 VAL B 141 11.817 2.630 11.336 1.00 0.00 H
898
+ ATOM 898 HG12 VAL B 141 13.220 2.144 10.783 1.00 0.00 H
899
+ ATOM 899 HG13 VAL B 141 13.122 2.816 12.214 1.00 0.00 H
900
+ ATOM 900 HG21 VAL B 141 11.333 5.072 11.541 1.00 0.00 H
901
+ ATOM 901 HG22 VAL B 141 12.639 5.259 12.418 1.00 0.00 H
902
+ ATOM 902 HG23 VAL B 141 12.427 6.135 11.115 1.00 0.00 H
903
+ TER 903 VAL B 141
904
+ END
1cw2/1cw2_ligand.mol2 ADDED
@@ -0,0 +1,76 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1cw2_ligand
7
+ 30 30 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 O1 46.9560 30.2100 9.7290 O.co2 1 HSP -0.5623
14
+ 2 O2 48.4690 28.7120 8.5800 O.co2 1 HSP -0.5623
15
+ 3 O3 47.7130 26.3180 16.1920 O.2 1 HSP -0.2539
16
+ 4 C1 49.6490 24.6200 15.6400 C.ar 1 HSP -0.0548
17
+ 5 C2 50.1260 25.9330 15.7100 C.ar 1 HSP 0.0668
18
+ 6 C3 51.4640 26.2280 15.3170 C.ar 1 HSP 0.1033
19
+ 7 C4 52.2950 25.1950 14.8580 C.ar 1 HSP -0.0322
20
+ 8 C5 51.8110 23.8760 14.7890 C.ar 1 HSP -0.0706
21
+ 9 C6 50.4920 23.5920 15.1780 C.ar 1 HSP -0.0718
22
+ 10 O4 51.9530 27.5050 15.3800 O.3 1 HSP -0.3319
23
+ 11 S1 49.0580 27.2410 16.3030 S.o 1 HSP 0.0503
24
+ 12 C7 49.0490 28.4950 14.9860 C.3 1 HSP 0.0265
25
+ 13 C8 48.6040 27.8780 13.6700 C.3 1 HSP -0.0402
26
+ 14 C9 48.5950 28.9230 12.5610 C.3 1 HSP -0.0372
27
+ 15 C10 48.1530 28.2930 11.2330 C.3 1 HSP 0.0196
28
+ 16 P1 48.2270 29.3870 9.9100 P.3 1 HSP 0.0579
29
+ 17 O5 49.3350 30.4200 10.0340 O.co2 1 HSP -0.5623
30
+ 18 H1 48.6323 24.3947 15.9409 H 1 HSP 0.0600
31
+ 19 H2 53.3127 25.4139 14.5557 H 1 HSP 0.0542
32
+ 20 H3 52.4558 23.0794 14.4358 H 1 HSP 0.0589
33
+ 21 H4 50.1209 22.5750 15.1221 H 1 HSP 0.0523
34
+ 22 H5 52.2187 27.7844 14.5118 H 1 HSP 0.2481
35
+ 23 H6 50.0629 28.9054 14.8693 H 1 HSP 0.0403
36
+ 24 H7 48.3554 29.3035 15.2601 H 1 HSP 0.0403
37
+ 25 H8 47.5901 27.4680 13.7880 H 1 HSP 0.0274
38
+ 26 H9 49.2975 27.0687 13.3978 H 1 HSP 0.0274
39
+ 27 H10 49.6074 29.3375 12.4458 H 1 HSP 0.0279
40
+ 28 H11 47.8968 29.7296 12.8292 H 1 HSP 0.0279
41
+ 29 H12 47.1158 27.9426 11.3398 H 1 HSP 0.0451
42
+ 30 H13 48.8088 27.4369 11.0163 H 1 HSP 0.0451
43
+ @<TRIPOS>BOND
44
+ 1 16 1 ar
45
+ 2 16 2 ar
46
+ 3 11 3 2
47
+ 4 5 4 ar
48
+ 5 4 9 ar
49
+ 6 5 6 ar
50
+ 7 11 5 1
51
+ 8 6 7 ar
52
+ 9 6 10 1
53
+ 10 7 8 ar
54
+ 11 9 8 ar
55
+ 12 12 11 1
56
+ 13 13 12 1
57
+ 14 14 13 1
58
+ 15 15 14 1
59
+ 16 15 16 1
60
+ 17 16 17 ar
61
+ 18 4 18 1
62
+ 19 7 19 1
63
+ 20 8 20 1
64
+ 21 9 21 1
65
+ 22 10 22 1
66
+ 23 12 23 1
67
+ 24 12 24 1
68
+ 25 13 25 1
69
+ 26 13 26 1
70
+ 27 14 27 1
71
+ 28 14 28 1
72
+ 29 15 29 1
73
+ 30 15 30 1
74
+ @<TRIPOS>SUBSTRUCTURE
75
+ 1 HSP 1
76
+
1cw2/1cw2_ligand.sdf ADDED
@@ -0,0 +1,70 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1cw2_ligand
2
+ -I-interpret-
3
+
4
+ 32 32 0 0 0 0 0 0 0 0999 V2000
5
+ 46.9560 30.2100 9.7290 O 0 0 0 0 0
6
+ 48.4690 28.7120 8.5800 O 0 0 0 0 0
7
+ 47.7130 26.3180 16.1920 O 0 0 0 0 0
8
+ 49.6490 24.6200 15.6400 C 0 0 0 0 0
9
+ 50.1260 25.9330 15.7100 C 0 0 0 0 0
10
+ 51.4640 26.2280 15.3170 C 0 0 0 0 0
11
+ 52.2950 25.1950 14.8580 C 0 0 0 0 0
12
+ 51.8110 23.8760 14.7890 C 0 0 0 0 0
13
+ 50.4920 23.5920 15.1780 C 0 0 0 0 0
14
+ 51.9530 27.5050 15.3800 O 0 0 0 0 0
15
+ 49.0580 27.2410 16.3030 S 0 0 0 0 0
16
+ 49.0490 28.4950 14.9860 C 0 0 0 0 0
17
+ 48.6040 27.8780 13.6700 C 0 0 0 0 0
18
+ 48.5950 28.9230 12.5610 C 0 0 0 0 0
19
+ 48.1530 28.2930 11.2330 C 0 0 0 0 0
20
+ 48.2270 29.3870 9.9100 P 0 0 0 0 0
21
+ 49.3350 30.4200 10.0340 O 0 0 0 0 0
22
+ 46.7513 30.6651 10.5491 H 0 0 0 0 0
23
+ 48.6266 24.3934 15.9426 H 0 0 0 0 0
24
+ 53.3184 25.4151 14.5541 H 0 0 0 0 0
25
+ 52.4594 23.0750 14.4338 H 0 0 0 0 0
26
+ 50.1188 22.5694 15.1218 H 0 0 0 0 0
27
+ 52.8643 27.5127 15.0782 H 0 0 0 0 0
28
+ 50.0566 28.8937 14.8685 H 0 0 0 0 0
29
+ 48.3551 29.2904 15.2578 H 0 0 0 0 0
30
+ 47.5954 27.4824 13.7895 H 0 0 0 0 0
31
+ 49.2999 27.0837 13.4001 H 0 0 0 0 0
32
+ 49.6015 29.3250 12.4448 H 0 0 0 0 0
33
+ 47.8960 29.7159 12.8270 H 0 0 0 0 0
34
+ 47.1154 27.9784 11.3449 H 0 0 0 0 0
35
+ 48.8298 27.4662 11.0173 H 0 0 0 0 0
36
+ 49.2406 30.8907 10.8653 H 0 0 0 0 0
37
+ 16 1 1 0 0 0
38
+ 16 2 2 0 0 0
39
+ 11 3 2 0 0 0
40
+ 5 4 4 0 0 0
41
+ 4 9 4 0 0 0
42
+ 5 6 4 0 0 0
43
+ 11 5 1 0 0 0
44
+ 6 7 4 0 0 0
45
+ 6 10 1 0 0 0
46
+ 7 8 4 0 0 0
47
+ 9 8 4 0 0 0
48
+ 12 11 1 0 0 0
49
+ 13 12 1 0 0 0
50
+ 14 13 1 0 0 0
51
+ 15 14 1 0 0 0
52
+ 15 16 1 0 0 0
53
+ 16 17 1 0 0 0
54
+ 1 18 1 0 0 0
55
+ 4 19 1 0 0 0
56
+ 7 20 1 0 0 0
57
+ 8 21 1 0 0 0
58
+ 9 22 1 0 0 0
59
+ 10 23 1 0 0 0
60
+ 12 24 1 0 0 0
61
+ 12 25 1 0 0 0
62
+ 13 26 1 0 0 0
63
+ 13 27 1 0 0 0
64
+ 14 28 1 0 0 0
65
+ 14 29 1 0 0 0
66
+ 15 30 1 0 0 0
67
+ 15 31 1 0 0 0
68
+ 17 32 1 0 0 0
69
+ M END
70
+ $$$$
1cw2/1cw2_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1cw2/1cw2_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1doj/1doj_ligand.mol2 ADDED
@@ -0,0 +1,179 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1doj_ligand
7
+ 80 83 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C 9.2080 25.9000 -9.8540 C.3 1 1Z0 -0.0427
14
+ 2 N 9.8060 25.3970 -8.5820 N.4 1 1Z0 0.2454
15
+ 3 CA 10.9020 26.3160 -8.1460 C.3 1 1Z0 0.0761
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+ $$$$
1doj/1doj_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1doj/1doj_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1e1x/1e1x_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
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+ ###
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91
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+ 21 22 4 0 0 0
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+ 22 23 4 0 0 0
100
+ 24 28 1 0 0 0
101
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+ 3 34 1 0 0 0
103
+ 3 35 1 0 0 0
104
+ 5 36 1 0 0 0
105
+ 6 37 1 0 0 0
106
+ 7 38 1 0 0 0
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+ 8 39 1 0 0 0
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+ 9 40 1 0 0 0
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+ 9 41 1 0 0 0
110
+ 10 42 1 0 0 0
111
+ 11 43 1 0 0 0
112
+ 11 44 1 0 0 0
113
+ 11 45 1 0 0 0
114
+ 12 46 1 0 0 0
115
+ 12 47 1 0 0 0
116
+ 12 48 1 0 0 0
117
+ 14 49 1 0 0 0
118
+ 16 50 1 0 0 0
119
+ 16 51 1 0 0 0
120
+ 16 52 1 0 0 0
121
+ 17 53 1 0 0 0
122
+ 17 54 1 0 0 0
123
+ 19 55 1 0 0 0
124
+ 20 56 1 0 0 0
125
+ 21 57 1 0 0 0
126
+ 22 58 1 0 0 0
127
+ 23 59 1 0 0 0
128
+ 24 60 1 0 0 0
129
+ 25 61 1 0 0 0
130
+ 26 62 1 0 0 0
131
+ 28 63 1 0 0 0
132
+ M END
133
+ $$$$
2j83/2j83_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2j83/2j83_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2nn8/2nn8_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1111 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-28
2
+ ATOM 1 N PRO A 1 -6.474 33.891 21.141 1.00 0.00 N
3
+ ATOM 2 CA PRO A 1 -5.092 34.008 21.609 1.00 0.00 C
4
+ ATOM 3 C PRO A 1 -4.938 33.663 23.088 1.00 0.00 C
5
+ ATOM 4 CB PRO A 1 -4.757 35.481 21.354 1.00 0.00 C
6
+ ATOM 5 O PRO A 1 -5.827 33.960 23.891 1.00 0.00 O
7
+ ATOM 6 CG PRO A 1 -5.961 36.031 20.661 1.00 0.00 C
8
+ ATOM 7 CD PRO A 1 -7.051 34.999 20.704 1.00 0.00 C
9
+ ATOM 8 N LEU A 2 -3.875 32.990 23.522 1.00 0.00 N
10
+ ATOM 9 CA LEU A 2 -3.540 32.661 24.904 1.00 0.00 C
11
+ ATOM 10 C LEU A 2 -2.926 33.861 25.615 1.00 0.00 C
12
+ ATOM 11 CB LEU A 2 -2.574 31.474 24.953 1.00 0.00 C
13
+ ATOM 12 O LEU A 2 -2.224 34.663 24.996 1.00 0.00 O
14
+ ATOM 13 CG LEU A 2 -3.080 30.163 24.350 1.00 0.00 C
15
+ ATOM 14 CD1 LEU A 2 -1.953 29.137 24.291 1.00 0.00 C
16
+ ATOM 15 CD2 LEU A 2 -4.258 29.624 25.153 1.00 0.00 C
17
+ ATOM 16 N ILE A 3 -3.212 34.003 26.782 1.00 0.00 N
18
+ ATOM 17 CA ILE A 3 -2.730 35.133 27.567 1.00 0.00 C
19
+ ATOM 18 C ILE A 3 -1.279 34.894 27.980 1.00 0.00 C
20
+ ATOM 19 CB ILE A 3 -3.610 35.373 28.815 1.00 0.00 C
21
+ ATOM 20 O ILE A 3 -0.957 33.857 28.567 1.00 0.00 O
22
+ ATOM 21 CG1 ILE A 3 -5.041 35.729 28.398 1.00 0.00 C
23
+ ATOM 22 CG2 ILE A 3 -3.008 36.469 29.698 1.00 0.00 C
24
+ ATOM 23 CD1 ILE A 3 -6.021 35.814 29.561 1.00 0.00 C
25
+ ATOM 24 N VAL A 4 -0.414 35.842 27.802 1.00 0.00 N
26
+ ATOM 25 CA VAL A 4 1.000 35.790 28.160 1.00 0.00 C
27
+ ATOM 26 C VAL A 4 1.255 36.661 29.388 1.00 0.00 C
28
+ ATOM 27 CB VAL A 4 1.899 36.244 26.988 1.00 0.00 C
29
+ ATOM 28 O VAL A 4 0.763 37.789 29.471 1.00 0.00 O
30
+ ATOM 29 CG1 VAL A 4 3.366 36.278 27.416 1.00 0.00 C
31
+ ATOM 30 CG2 VAL A 4 1.711 35.322 25.785 1.00 0.00 C
32
+ ATOM 31 N PRO A 5 1.905 36.208 30.307 1.00 0.00 N
33
+ ATOM 32 CA PRO A 5 2.681 34.968 30.363 1.00 0.00 C
34
+ ATOM 33 C PRO A 5 1.799 33.723 30.430 1.00 0.00 C
35
+ ATOM 34 CB PRO A 5 3.504 35.124 31.644 1.00 0.00 C
36
+ ATOM 35 O PRO A 5 0.694 33.774 30.974 1.00 0.00 O
37
+ ATOM 36 CG PRO A 5 2.661 35.975 32.537 1.00 0.00 C
38
+ ATOM 37 CD PRO A 5 1.901 36.953 31.688 1.00 0.00 C
39
+ ATOM 38 N TYR A 6 2.214 32.741 29.844 1.00 0.00 N
40
+ ATOM 39 CA TYR A 6 1.503 31.470 29.750 1.00 0.00 C
41
+ ATOM 40 C TYR A 6 2.346 30.332 30.311 1.00 0.00 C
42
+ ATOM 41 CB TYR A 6 1.125 31.171 28.296 1.00 0.00 C
43
+ ATOM 42 O TYR A 6 3.562 30.292 30.109 1.00 0.00 O
44
+ ATOM 43 CG TYR A 6 0.290 29.925 28.129 1.00 0.00 C
45
+ ATOM 44 CD1 TYR A 6 -1.069 29.928 28.433 1.00 0.00 C
46
+ ATOM 45 CD2 TYR A 6 0.858 28.742 27.669 1.00 0.00 C
47
+ ATOM 46 CE1 TYR A 6 -1.844 28.783 28.284 1.00 0.00 C
48
+ ATOM 47 CE2 TYR A 6 0.094 27.590 27.515 1.00 0.00 C
49
+ ATOM 48 OH TYR A 6 -2.014 26.482 27.674 1.00 0.00 O
50
+ ATOM 49 CZ TYR A 6 -1.253 27.620 27.824 1.00 0.00 C
51
+ ATOM 50 N ASN A 7 1.756 29.472 30.973 1.00 0.00 N
52
+ ATOM 51 CA ASN A 7 2.391 28.256 31.468 1.00 0.00 C
53
+ ATOM 52 C ASN A 7 1.790 27.008 30.827 1.00 0.00 C
54
+ ATOM 53 CB ASN A 7 2.282 28.175 32.992 1.00 0.00 C
55
+ ATOM 54 O ASN A 7 0.603 26.726 31.003 1.00 0.00 O
56
+ ATOM 55 CG ASN A 7 3.141 29.207 33.696 1.00 0.00 C
57
+ ATOM 56 ND2 ASN A 7 2.600 29.814 34.745 1.00 0.00 N
58
+ ATOM 57 OD1 ASN A 7 4.282 29.458 33.298 1.00 0.00 O
59
+ ATOM 58 N LEU A 8 2.567 26.340 30.067 1.00 0.00 N
60
+ ATOM 59 CA LEU A 8 2.166 25.048 29.520 1.00 0.00 C
61
+ ATOM 60 C LEU A 8 2.516 23.918 30.483 1.00 0.00 C
62
+ ATOM 61 CB LEU A 8 2.837 24.807 28.166 1.00 0.00 C
63
+ ATOM 62 O LEU A 8 3.694 23.639 30.717 1.00 0.00 O
64
+ ATOM 63 CG LEU A 8 2.511 23.482 27.475 1.00 0.00 C
65
+ ATOM 64 CD1 LEU A 8 1.037 23.435 27.087 1.00 0.00 C
66
+ ATOM 65 CD2 LEU A 8 3.398 23.285 26.249 1.00 0.00 C
67
+ ATOM 66 N PRO A 9 1.455 23.344 31.105 1.00 0.00 N
68
+ ATOM 67 CA PRO A 9 1.776 22.218 31.986 1.00 0.00 C
69
+ ATOM 68 C PRO A 9 2.364 21.028 31.232 1.00 0.00 C
70
+ ATOM 69 CB PRO A 9 0.421 21.859 32.603 1.00 0.00 C
71
+ ATOM 70 O PRO A 9 1.938 20.728 30.113 1.00 0.00 O
72
+ ATOM 71 CG PRO A 9 -0.451 23.040 32.328 1.00 0.00 C
73
+ ATOM 72 CD PRO A 9 0.065 23.738 31.101 1.00 0.00 C
74
+ ATOM 73 N LEU A 10 3.351 20.424 31.723 1.00 0.00 N
75
+ ATOM 74 CA LEU A 10 3.996 19.204 31.249 1.00 0.00 C
76
+ ATOM 75 C LEU A 10 3.924 18.106 32.304 1.00 0.00 C
77
+ ATOM 76 CB LEU A 10 5.457 19.479 30.882 1.00 0.00 C
78
+ ATOM 77 O LEU A 10 4.928 17.789 32.948 1.00 0.00 O
79
+ ATOM 78 CG LEU A 10 5.699 20.551 29.818 1.00 0.00 C
80
+ ATOM 79 CD1 LEU A 10 7.161 20.981 29.821 1.00 0.00 C
81
+ ATOM 80 CD2 LEU A 10 5.288 20.041 28.441 1.00 0.00 C
82
+ ATOM 81 N PRO A 11 2.605 17.530 32.409 1.00 0.00 N
83
+ ATOM 82 CA PRO A 11 2.426 16.518 33.452 1.00 0.00 C
84
+ ATOM 83 C PRO A 11 3.319 15.297 33.251 1.00 0.00 C
85
+ ATOM 84 CB PRO A 11 0.947 16.140 33.326 1.00 0.00 C
86
+ ATOM 85 O PRO A 11 3.409 14.771 32.138 1.00 0.00 O
87
+ ATOM 86 CG PRO A 11 0.589 16.467 31.911 1.00 0.00 C
88
+ ATOM 87 CD PRO A 11 1.466 17.594 31.445 1.00 0.00 C
89
+ ATOM 88 N GLY A 12 4.184 14.928 34.267 1.00 0.00 N
90
+ ATOM 89 CA GLY A 12 5.141 13.835 34.194 1.00 0.00 C
91
+ ATOM 90 C GLY A 12 6.515 14.276 33.726 1.00 0.00 C
92
+ ATOM 91 O GLY A 12 7.419 13.452 33.576 1.00 0.00 O
93
+ ATOM 92 N GLY A 13 6.626 15.577 33.407 1.00 0.00 N
94
+ ATOM 93 CA GLY A 13 7.918 16.084 32.974 1.00 0.00 C
95
+ ATOM 94 C GLY A 13 8.163 15.901 31.488 1.00 0.00 C
96
+ ATOM 95 O GLY A 13 7.292 15.413 30.766 1.00 0.00 O
97
+ ATOM 96 N VAL A 14 9.271 16.399 31.053 1.00 0.00 N
98
+ ATOM 97 CA VAL A 14 9.599 16.177 29.648 1.00 0.00 C
99
+ ATOM 98 C VAL A 14 10.292 14.826 29.486 1.00 0.00 C
100
+ ATOM 99 CB VAL A 14 10.494 17.306 29.089 1.00 0.00 C
101
+ ATOM 100 O VAL A 14 10.938 14.338 30.416 1.00 0.00 O
102
+ ATOM 101 CG1 VAL A 14 9.782 18.654 29.183 1.00 0.00 C
103
+ ATOM 102 CG2 VAL A 14 11.827 17.348 29.835 1.00 0.00 C
104
+ ATOM 103 N VAL A 15 10.135 14.234 28.327 1.00 0.00 N
105
+ ATOM 104 CA VAL A 15 10.743 12.946 28.007 1.00 0.00 C
106
+ ATOM 105 C VAL A 15 11.281 12.969 26.578 1.00 0.00 C
107
+ ATOM 106 CB VAL A 15 9.738 11.785 28.180 1.00 0.00 C
108
+ ATOM 107 O VAL A 15 10.810 13.746 25.743 1.00 0.00 O
109
+ ATOM 108 CG1 VAL A 15 9.305 11.658 29.640 1.00 0.00 C
110
+ ATOM 109 CG2 VAL A 15 8.524 11.993 27.276 1.00 0.00 C
111
+ ATOM 110 N PRO A 16 12.318 12.130 26.343 1.00 0.00 N
112
+ ATOM 111 CA PRO A 16 12.808 12.049 24.965 1.00 0.00 C
113
+ ATOM 112 C PRO A 16 11.698 11.752 23.960 1.00 0.00 C
114
+ ATOM 113 CB PRO A 16 13.819 10.900 25.018 1.00 0.00 C
115
+ ATOM 114 O PRO A 16 10.789 10.970 24.252 1.00 0.00 O
116
+ ATOM 115 CG PRO A 16 14.347 10.920 26.415 1.00 0.00 C
117
+ ATOM 116 CD PRO A 16 13.222 11.269 27.346 1.00 0.00 C
118
+ ATOM 117 N ARG A 17 11.778 12.487 22.816 1.00 0.00 N
119
+ ATOM 118 CA ARG A 17 10.894 12.371 21.660 1.00 0.00 C
120
+ ATOM 119 C ARG A 17 9.648 13.233 21.835 1.00 0.00 C
121
+ ATOM 120 CB ARG A 17 10.495 10.912 21.432 1.00 0.00 C
122
+ ATOM 121 O ARG A 17 8.742 13.200 21.000 1.00 0.00 O
123
+ ATOM 122 CG ARG A 17 11.665 9.996 21.111 1.00 0.00 C
124
+ ATOM 123 CD ARG A 17 11.207 8.571 20.836 1.00 0.00 C
125
+ ATOM 124 NE ARG A 17 10.348 8.498 19.658 1.00 0.00 N
126
+ ATOM 125 NH1 ARG A 17 9.336 6.510 20.262 1.00 0.00 N
127
+ ATOM 126 NH2 ARG A 17 8.748 7.554 18.307 1.00 0.00 N
128
+ ATOM 127 CZ ARG A 17 9.479 7.520 19.411 1.00 0.00 C
129
+ ATOM 128 N MET A 18 9.630 13.914 22.937 1.00 0.00 N
130
+ ATOM 129 CA MET A 18 8.598 14.934 23.098 1.00 0.00 C
131
+ ATOM 130 C MET A 18 8.894 16.151 22.227 1.00 0.00 C
132
+ ATOM 131 CB MET A 18 8.483 15.357 24.564 1.00 0.00 C
133
+ ATOM 132 O MET A 18 9.984 16.722 22.299 1.00 0.00 O
134
+ ATOM 133 CG MET A 18 7.394 16.385 24.821 1.00 0.00 C
135
+ ATOM 134 SD MET A 18 7.302 16.885 26.584 1.00 0.00 S
136
+ ATOM 135 CE MET A 18 6.323 15.512 27.256 1.00 0.00 C
137
+ ATOM 136 N LEU A 19 7.941 16.506 21.339 1.00 0.00 N
138
+ ATOM 137 CA LEU A 19 8.042 17.705 20.515 1.00 0.00 C
139
+ ATOM 138 C LEU A 19 7.078 18.783 21.002 1.00 0.00 C
140
+ ATOM 139 CB LEU A 19 7.756 17.374 19.048 1.00 0.00 C
141
+ ATOM 140 O LEU A 19 5.860 18.596 20.961 1.00 0.00 O
142
+ ATOM 141 CG LEU A 19 7.829 18.541 18.062 1.00 0.00 C
143
+ ATOM 142 CD1 LEU A 19 9.263 19.054 17.954 1.00 0.00 C
144
+ ATOM 143 CD2 LEU A 19 7.302 18.121 16.695 1.00 0.00 C
145
+ ATOM 144 N ILE A 20 7.609 19.904 21.501 1.00 0.00 N
146
+ ATOM 145 CA ILE A 20 6.838 21.079 21.890 1.00 0.00 C
147
+ ATOM 146 C ILE A 20 6.769 22.061 20.722 1.00 0.00 C
148
+ ATOM 147 CB ILE A 20 7.446 21.768 23.133 1.00 0.00 C
149
+ ATOM 148 O ILE A 20 7.779 22.329 20.067 1.00 0.00 O
150
+ ATOM 149 CG1 ILE A 20 7.472 20.799 24.321 1.00 0.00 C
151
+ ATOM 150 CG2 ILE A 20 6.668 23.040 23.480 1.00 0.00 C
152
+ ATOM 151 CD1 ILE A 20 8.780 20.034 24.467 1.00 0.00 C
153
+ ATOM 152 N THR A 21 5.584 22.588 20.429 1.00 0.00 N
154
+ ATOM 153 CA THR A 21 5.367 23.549 19.353 1.00 0.00 C
155
+ ATOM 154 C THR A 21 4.667 24.799 19.878 1.00 0.00 C
156
+ ATOM 155 CB THR A 21 4.535 22.933 18.213 1.00 0.00 C
157
+ ATOM 156 O THR A 21 3.634 24.706 20.544 1.00 0.00 O
158
+ ATOM 157 CG2 THR A 21 4.369 23.916 17.060 1.00 0.00 C
159
+ ATOM 158 OG1 THR A 21 5.195 21.756 17.730 1.00 0.00 O
160
+ ATOM 159 N ILE A 22 5.229 25.929 19.609 1.00 0.00 N
161
+ ATOM 160 CA ILE A 22 4.725 27.236 20.016 1.00 0.00 C
162
+ ATOM 161 C ILE A 22 4.503 28.111 18.784 1.00 0.00 C
163
+ ATOM 162 CB ILE A 22 5.690 27.932 21.001 1.00 0.00 C
164
+ ATOM 163 O ILE A 22 5.432 28.350 18.009 1.00 0.00 O
165
+ ATOM 164 CG1 ILE A 22 5.941 27.042 22.224 1.00 0.00 C
166
+ ATOM 165 CG2 ILE A 22 5.139 29.298 21.422 1.00 0.00 C
167
+ ATOM 166 CD1 ILE A 22 7.189 27.412 23.012 1.00 0.00 C
168
+ ATOM 167 N LEU A 23 3.302 28.571 18.595 1.00 0.00 N
169
+ ATOM 168 CA LEU A 23 2.937 29.481 17.515 1.00 0.00 C
170
+ ATOM 169 C LEU A 23 2.532 30.843 18.066 1.00 0.00 C
171
+ ATOM 170 CB LEU A 23 1.794 28.894 16.682 1.00 0.00 C
172
+ ATOM 171 O LEU A 23 1.752 30.927 19.017 1.00 0.00 O
173
+ ATOM 172 CG LEU A 23 2.055 27.531 16.039 1.00 0.00 C
174
+ ATOM 173 CD1 LEU A 23 0.795 27.021 15.349 1.00 0.00 C
175
+ ATOM 174 CD2 LEU A 23 3.214 27.619 15.050 1.00 0.00 C
176
+ ATOM 175 N GLY A 24 3.032 31.888 17.478 1.00 0.00 N
177
+ ATOM 176 CA GLY A 24 2.688 33.243 17.880 1.00 0.00 C
178
+ ATOM 177 C GLY A 24 3.158 34.295 16.894 1.00 0.00 C
179
+ ATOM 178 O GLY A 24 3.554 33.970 15.773 1.00 0.00 O
180
+ ATOM 179 N THR A 25 3.016 35.524 17.282 1.00 0.00 N
181
+ ATOM 180 CA THR A 25 3.474 36.702 16.555 1.00 0.00 C
182
+ ATOM 181 C THR A 25 4.276 37.623 17.469 1.00 0.00 C
183
+ ATOM 182 CB THR A 25 2.292 37.478 15.947 1.00 0.00 C
184
+ ATOM 183 O THR A 25 3.883 37.867 18.612 1.00 0.00 O
185
+ ATOM 184 CG2 THR A 25 2.780 38.647 15.097 1.00 0.00 C
186
+ ATOM 185 OG1 THR A 25 1.520 36.595 15.124 1.00 0.00 O
187
+ ATOM 186 N VAL A 26 5.393 38.049 16.975 1.00 0.00 N
188
+ ATOM 187 CA VAL A 26 6.178 39.017 17.733 1.00 0.00 C
189
+ ATOM 188 C VAL A 26 5.484 40.377 17.712 1.00 0.00 C
190
+ ATOM 189 CB VAL A 26 7.614 39.143 17.177 1.00 0.00 C
191
+ ATOM 190 O VAL A 26 5.046 40.840 16.656 1.00 0.00 O
192
+ ATOM 191 CG1 VAL A 26 8.434 40.121 18.015 1.00 0.00 C
193
+ ATOM 192 CG2 VAL A 26 8.291 37.773 17.134 1.00 0.00 C
194
+ ATOM 193 N LYS A 27 5.348 41.005 18.895 1.00 0.00 N
195
+ ATOM 194 CA LYS A 27 4.763 42.341 18.963 1.00 0.00 C
196
+ ATOM 195 C LYS A 27 5.674 43.374 18.307 1.00 0.00 C
197
+ ATOM 196 CB LYS A 27 4.485 42.734 20.415 1.00 0.00 C
198
+ ATOM 197 O LYS A 27 6.886 43.171 18.214 1.00 0.00 O
199
+ ATOM 198 CG LYS A 27 3.372 41.929 21.072 1.00 0.00 C
200
+ ATOM 199 CD LYS A 27 3.126 42.382 22.504 1.00 0.00 C
201
+ ATOM 200 CE LYS A 27 1.964 41.630 23.138 1.00 0.00 C
202
+ ATOM 201 NZ LYS A 27 1.787 41.992 24.577 1.00 0.00 N
203
+ ATOM 202 N PRO A 28 4.975 44.510 17.950 1.00 0.00 N
204
+ ATOM 203 CA PRO A 28 5.824 45.610 17.488 1.00 0.00 C
205
+ ATOM 204 C PRO A 28 6.712 46.175 18.594 1.00 0.00 C
206
+ ATOM 205 CB PRO A 28 4.814 46.657 17.010 1.00 0.00 C
207
+ ATOM 206 O PRO A 28 6.314 46.194 19.762 1.00 0.00 O
208
+ ATOM 207 CG PRO A 28 3.525 45.913 16.879 1.00 0.00 C
209
+ ATOM 208 CD PRO A 28 3.542 44.757 17.838 1.00 0.00 C
210
+ ATOM 209 N ASN A 29 7.933 46.397 18.413 1.00 0.00 N
211
+ ATOM 210 CA ASN A 29 8.908 46.961 19.340 1.00 0.00 C
212
+ ATOM 211 C ASN A 29 9.278 45.970 20.439 1.00 0.00 C
213
+ ATOM 212 CB ASN A 29 8.379 48.259 19.952 1.00 0.00 C
214
+ ATOM 213 O ASN A 29 9.401 46.346 21.605 1.00 0.00 O
215
+ ATOM 214 CG ASN A 29 8.013 49.293 18.905 1.00 0.00 C
216
+ ATOM 215 ND2 ASN A 29 6.856 49.923 19.072 1.00 0.00 N
217
+ ATOM 216 OD1 ASN A 29 8.764 49.524 17.954 1.00 0.00 O
218
+ ATOM 217 N ALA A 30 9.337 44.776 20.058 1.00 0.00 N
219
+ ATOM 218 CA ALA A 30 9.668 43.705 20.995 1.00 0.00 C
220
+ ATOM 219 C ALA A 30 11.066 43.895 21.575 1.00 0.00 C
221
+ ATOM 220 CB ALA A 30 9.561 42.346 20.307 1.00 0.00 C
222
+ ATOM 221 O ALA A 30 11.968 44.385 20.891 1.00 0.00 O
223
+ ATOM 222 N ASN A 31 11.177 43.579 22.827 1.00 0.00 N
224
+ ATOM 223 CA ASN A 31 12.455 43.584 23.531 1.00 0.00 C
225
+ ATOM 224 C ASN A 31 12.968 42.167 23.770 1.00 0.00 C
226
+ ATOM 225 CB ASN A 31 12.333 44.336 24.859 1.00 0.00 C
227
+ ATOM 226 O ASN A 31 14.158 41.895 23.590 1.00 0.00 O
228
+ ATOM 227 CG ASN A 31 13.677 44.583 25.516 1.00 0.00 C
229
+ ATOM 228 ND2 ASN A 31 13.718 44.480 26.839 1.00 0.00 N
230
+ ATOM 229 OD1 ASN A 31 14.670 44.864 24.839 1.00 0.00 O
231
+ ATOM 230 N ARG A 32 12.103 41.294 24.102 1.00 0.00 N
232
+ ATOM 231 CA ARG A 32 12.562 39.936 24.374 1.00 0.00 C
233
+ ATOM 232 C ARG A 32 11.408 38.942 24.292 1.00 0.00 C
234
+ ATOM 233 CB ARG A 32 13.224 39.856 25.751 1.00 0.00 C
235
+ ATOM 234 O ARG A 32 10.244 39.320 24.440 1.00 0.00 O
236
+ ATOM 235 CG ARG A 32 12.277 40.136 26.907 1.00 0.00 C
237
+ ATOM 236 CD ARG A 32 13.000 40.110 28.247 1.00 0.00 C
238
+ ATOM 237 NE ARG A 32 13.810 41.309 28.446 1.00 0.00 N
239
+ ATOM 238 NH1 ARG A 32 14.720 40.612 30.451 1.00 0.00 N
240
+ ATOM 239 NH2 ARG A 32 15.301 42.646 29.569 1.00 0.00 N
241
+ ATOM 240 CZ ARG A 32 14.608 41.519 29.488 1.00 0.00 C
242
+ ATOM 241 N ILE A 33 11.695 37.701 24.041 1.00 0.00 N
243
+ ATOM 242 CA ILE A 33 10.899 36.490 24.203 1.00 0.00 C
244
+ ATOM 243 C ILE A 33 11.590 35.547 25.185 1.00 0.00 C
245
+ ATOM 244 CB ILE A 33 10.667 35.780 22.851 1.00 0.00 C
246
+ ATOM 245 O ILE A 33 12.821 35.465 25.217 1.00 0.00 O
247
+ ATOM 246 CG1 ILE A 33 10.072 36.756 21.830 1.00 0.00 C
248
+ ATOM 247 CG2 ILE A 33 9.762 34.557 23.032 1.00 0.00 C
249
+ ATOM 248 CD1 ILE A 33 10.089 36.241 20.398 1.00 0.00 C
250
+ ATOM 249 N ALA A 34 10.814 34.825 26.003 1.00 0.00 N
251
+ ATOM 250 CA ALA A 34 11.436 33.891 26.939 1.00 0.00 C
252
+ ATOM 251 C ALA A 34 10.630 32.599 27.042 1.00 0.00 C
253
+ ATOM 252 CB ALA A 34 11.582 34.535 28.316 1.00 0.00 C
254
+ ATOM 253 O ALA A 34 9.415 32.633 27.247 1.00 0.00 O
255
+ ATOM 254 N LEU A 35 11.264 31.521 26.860 1.00 0.00 N
256
+ ATOM 255 CA LEU A 35 10.790 30.177 27.176 1.00 0.00 C
257
+ ATOM 256 C LEU A 35 11.613 29.561 28.302 1.00 0.00 C
258
+ ATOM 257 CB LEU A 35 10.851 29.282 25.934 1.00 0.00 C
259
+ ATOM 258 O LEU A 35 12.841 29.493 28.213 1.00 0.00 O
260
+ ATOM 259 CG LEU A 35 10.152 29.812 24.682 1.00 0.00 C
261
+ ATOM 260 CD1 LEU A 35 10.249 28.793 23.550 1.00 0.00 C
262
+ ATOM 261 CD2 LEU A 35 8.694 30.147 24.984 1.00 0.00 C
263
+ ATOM 262 N ASP A 36 10.887 29.119 29.339 1.00 0.00 N
264
+ ATOM 263 CA ASP A 36 11.548 28.536 30.503 1.00 0.00 C
265
+ ATOM 264 C ASP A 36 11.007 27.138 30.797 1.00 0.00 C
266
+ ATOM 265 CB ASP A 36 11.371 29.435 31.729 1.00 0.00 C
267
+ ATOM 266 O ASP A 36 9.853 26.985 31.202 1.00 0.00 O
268
+ ATOM 267 CG ASP A 36 12.195 30.709 31.652 1.00 0.00 C
269
+ ATOM 268 OD1 ASP A 36 13.216 30.733 30.930 1.00 0.00 O
270
+ ATOM 269 OD2 ASP A 36 11.822 31.696 32.320 1.00 0.00 O
271
+ ATOM 270 N PHE A 37 11.840 26.142 30.526 1.00 0.00 N
272
+ ATOM 271 CA PHE A 37 11.546 24.799 31.010 1.00 0.00 C
273
+ ATOM 272 C PHE A 37 11.879 24.671 32.492 1.00 0.00 C
274
+ ATOM 273 CB PHE A 37 12.325 23.754 30.205 1.00 0.00 C
275
+ ATOM 274 O PHE A 37 13.048 24.733 32.878 1.00 0.00 O
276
+ ATOM 275 CG PHE A 37 11.835 23.587 28.792 1.00 0.00 C
277
+ ATOM 276 CD1 PHE A 37 11.015 22.519 28.448 1.00 0.00 C
278
+ ATOM 277 CD2 PHE A 37 12.195 24.498 27.808 1.00 0.00 C
279
+ ATOM 278 CE1 PHE A 37 10.560 22.362 27.141 1.00 0.00 C
280
+ ATOM 279 CE2 PHE A 37 11.744 24.347 26.499 1.00 0.00 C
281
+ ATOM 280 CZ PHE A 37 10.927 23.278 26.168 1.00 0.00 C
282
+ ATOM 281 N GLN A 38 10.879 24.445 33.289 1.00 0.00 N
283
+ ATOM 282 CA GLN A 38 11.052 24.694 34.716 1.00 0.00 C
284
+ ATOM 283 C GLN A 38 10.896 23.408 35.523 1.00 0.00 C
285
+ ATOM 284 CB GLN A 38 10.053 25.745 35.204 1.00 0.00 C
286
+ ATOM 285 O GLN A 38 10.010 22.598 35.243 1.00 0.00 O
287
+ ATOM 286 CG GLN A 38 10.277 27.129 34.611 1.00 0.00 C
288
+ ATOM 287 CD GLN A 38 9.282 28.155 35.120 1.00 0.00 C
289
+ ATOM 288 NE2 GLN A 38 9.024 29.181 34.317 1.00 0.00 N
290
+ ATOM 289 OE1 GLN A 38 8.750 28.025 36.227 1.00 0.00 O
291
+ ATOM 290 N ARG A 39 11.711 23.272 36.430 1.00 0.00 N
292
+ ATOM 291 CA ARG A 39 11.671 22.288 37.508 1.00 0.00 C
293
+ ATOM 292 C ARG A 39 11.567 22.971 38.868 1.00 0.00 C
294
+ ATOM 293 CB ARG A 39 12.910 21.393 37.464 1.00 0.00 C
295
+ ATOM 294 O ARG A 39 12.569 23.441 39.411 1.00 0.00 O
296
+ ATOM 295 CG ARG A 39 12.910 20.290 38.511 1.00 0.00 C
297
+ ATOM 296 CD ARG A 39 14.275 19.628 38.633 1.00 0.00 C
298
+ ATOM 297 NE ARG A 39 15.223 20.477 39.348 1.00 0.00 N
299
+ ATOM 298 NH1 ARG A 39 17.062 19.148 38.907 1.00 0.00 N
300
+ ATOM 299 NH2 ARG A 39 17.298 21.069 40.135 1.00 0.00 N
301
+ ATOM 300 CZ ARG A 39 16.525 20.230 39.462 1.00 0.00 C
302
+ ATOM 301 N GLY A 40 10.377 22.937 39.473 1.00 0.00 N
303
+ ATOM 302 CA GLY A 40 10.197 23.788 40.639 1.00 0.00 C
304
+ ATOM 303 C GLY A 40 10.636 25.221 40.404 1.00 0.00 C
305
+ ATOM 304 O GLY A 40 10.174 25.871 39.464 1.00 0.00 O
306
+ ATOM 305 N ASN A 41 11.568 25.689 41.212 1.00 0.00 N
307
+ ATOM 306 CA ASN A 41 12.055 27.062 41.130 1.00 0.00 C
308
+ ATOM 307 C ASN A 41 13.236 27.183 40.172 1.00 0.00 C
309
+ ATOM 308 CB ASN A 41 12.444 27.577 42.518 1.00 0.00 C
310
+ ATOM 309 O ASN A 41 13.690 28.289 39.876 1.00 0.00 O
311
+ ATOM 310 CG ASN A 41 11.242 27.806 43.414 1.00 0.00 C
312
+ ATOM 311 ND2 ASN A 41 11.446 27.692 44.721 1.00 0.00 N
313
+ ATOM 312 OD1 ASN A 41 10.139 28.081 42.936 1.00 0.00 O
314
+ ATOM 313 N ASP A 42 13.711 26.063 39.728 1.00 0.00 N
315
+ ATOM 314 CA ASP A 42 14.839 26.053 38.800 1.00 0.00 C
316
+ ATOM 315 C ASP A 42 14.365 26.211 37.358 1.00 0.00 C
317
+ ATOM 316 CB ASP A 42 15.645 24.761 38.951 1.00 0.00 C
318
+ ATOM 317 O ASP A 42 13.205 25.937 37.046 1.00 0.00 O
319
+ ATOM 318 CG ASP A 42 16.354 24.656 40.289 1.00 0.00 C
320
+ ATOM 319 OD1 ASP A 42 16.592 25.699 40.936 1.00 0.00 O
321
+ ATOM 320 OD2 ASP A 42 16.681 23.522 40.699 1.00 0.00 O
322
+ ATOM 321 N VAL A 43 15.196 26.662 36.518 1.00 0.00 N
323
+ ATOM 322 CA VAL A 43 15.003 26.705 35.072 1.00 0.00 C
324
+ ATOM 323 C VAL A 43 16.008 25.781 34.388 1.00 0.00 C
325
+ ATOM 324 CB VAL A 43 15.140 28.143 34.523 1.00 0.00 C
326
+ ATOM 325 O VAL A 43 17.210 26.057 34.382 1.00 0.00 O
327
+ ATOM 326 CG1 VAL A 43 14.945 28.163 33.008 1.00 0.00 C
328
+ ATOM 327 CG2 VAL A 43 14.140 29.072 35.206 1.00 0.00 C
329
+ ATOM 328 N ALA A 44 15.494 24.662 33.820 1.00 0.00 N
330
+ ATOM 329 CA ALA A 44 16.350 23.666 33.182 1.00 0.00 C
331
+ ATOM 330 C ALA A 44 16.868 24.167 31.838 1.00 0.00 C
332
+ ATOM 331 CB ALA A 44 15.592 22.353 33.000 1.00 0.00 C
333
+ ATOM 332 O ALA A 44 17.988 23.844 31.436 1.00 0.00 O
334
+ ATOM 333 N PHE A 45 16.093 24.880 31.153 1.00 0.00 N
335
+ ATOM 334 CA PHE A 45 16.446 25.471 29.868 1.00 0.00 C
336
+ ATOM 335 C PHE A 45 15.743 26.809 29.676 1.00 0.00 C
337
+ ATOM 336 CB PHE A 45 16.088 24.520 28.721 1.00 0.00 C
338
+ ATOM 337 O PHE A 45 14.513 26.868 29.621 1.00 0.00 O
339
+ ATOM 338 CG PHE A 45 16.347 25.094 27.354 1.00 0.00 C
340
+ ATOM 339 CD1 PHE A 45 17.371 26.012 27.153 1.00 0.00 C
341
+ ATOM 340 CD2 PHE A 45 15.568 24.714 26.269 1.00 0.00 C
342
+ ATOM 341 CE1 PHE A 45 17.614 26.544 25.889 1.00 0.00 C
343
+ ATOM 342 CE2 PHE A 45 15.804 25.242 25.003 1.00 0.00 C
344
+ ATOM 343 CZ PHE A 45 16.826 26.157 24.815 1.00 0.00 C
345
+ ATOM 344 N HIS A 46 16.604 27.792 29.635 1.00 0.00 N
346
+ ATOM 345 CA HIS A 46 16.173 29.146 29.305 1.00 0.00 C
347
+ ATOM 346 C HIS A 46 16.519 29.498 27.863 1.00 0.00 C
348
+ ATOM 347 CB HIS A 46 16.808 30.158 30.261 1.00 0.00 C
349
+ ATOM 348 O HIS A 46 17.695 29.545 27.496 1.00 0.00 O
350
+ ATOM 349 CG HIS A 46 16.450 31.578 29.955 1.00 0.00 C
351
+ ATOM 350 CD2 HIS A 46 17.165 32.568 29.370 1.00 0.00 C
352
+ ATOM 351 ND1 HIS A 46 15.221 32.118 30.262 1.00 0.00 N
353
+ ATOM 352 CE1 HIS A 46 15.195 33.383 29.878 1.00 0.00 C
354
+ ATOM 353 NE2 HIS A 46 16.362 33.682 29.334 1.00 0.00 N
355
+ ATOM 354 N PHE A 47 15.533 29.729 27.042 1.00 0.00 N
356
+ ATOM 355 CA PHE A 47 15.643 30.213 25.671 1.00 0.00 C
357
+ ATOM 356 C PHE A 47 15.131 31.643 25.558 1.00 0.00 C
358
+ ATOM 357 CB PHE A 47 14.871 29.300 24.714 1.00 0.00 C
359
+ ATOM 358 O PHE A 47 13.930 31.889 25.694 1.00 0.00 O
360
+ ATOM 359 CG PHE A 47 14.886 29.768 23.284 1.00 0.00 C
361
+ ATOM 360 CD1 PHE A 47 15.976 29.506 22.463 1.00 0.00 C
362
+ ATOM 361 CD2 PHE A 47 13.809 30.473 22.761 1.00 0.00 C
363
+ ATOM 362 CE1 PHE A 47 15.991 29.939 21.138 1.00 0.00 C
364
+ ATOM 363 CE2 PHE A 47 13.817 30.909 21.439 1.00 0.00 C
365
+ ATOM 364 CZ PHE A 47 14.911 30.641 20.629 1.00 0.00 C
366
+ ATOM 365 N ASN A 48 16.038 32.544 25.290 1.00 0.00 N
367
+ ATOM 366 CA ASN A 48 15.715 33.954 25.473 1.00 0.00 C
368
+ ATOM 367 C ASN A 48 16.185 34.795 24.289 1.00 0.00 C
369
+ ATOM 368 CB ASN A 48 16.325 34.482 26.773 1.00 0.00 C
370
+ ATOM 369 O ASN A 48 17.256 35.402 24.340 1.00 0.00 O
371
+ ATOM 370 CG ASN A 48 15.894 35.900 27.088 1.00 0.00 C
372
+ ATOM 371 ND2 ASN A 48 14.705 36.274 26.630 1.00 0.00 N
373
+ ATOM 372 OD1 ASN A 48 16.623 36.654 27.737 1.00 0.00 O
374
+ ATOM 373 N PRO A 49 15.356 34.914 23.169 1.00 0.00 N
375
+ ATOM 374 CA PRO A 49 15.635 35.895 22.118 1.00 0.00 C
376
+ ATOM 375 C PRO A 49 15.546 37.336 22.615 1.00 0.00 C
377
+ ATOM 376 CB PRO A 49 14.552 35.610 21.074 1.00 0.00 C
378
+ ATOM 377 O PRO A 49 14.516 37.742 23.161 1.00 0.00 O
379
+ ATOM 378 CG PRO A 49 14.080 34.225 21.381 1.00 0.00 C
380
+ ATOM 379 CD PRO A 49 14.129 34.023 22.869 1.00 0.00 C
381
+ ATOM 380 N ARG A 50 16.594 38.009 22.473 1.00 0.00 N
382
+ ATOM 381 CA ARG A 50 16.716 39.413 22.851 1.00 0.00 C
383
+ ATOM 382 C ARG A 50 16.909 40.297 21.625 1.00 0.00 C
384
+ ATOM 383 CB ARG A 50 17.880 39.608 23.826 1.00 0.00 C
385
+ ATOM 384 O ARG A 50 17.892 40.149 20.894 1.00 0.00 O
386
+ ATOM 385 CG ARG A 50 17.782 38.756 25.081 1.00 0.00 C
387
+ ATOM 386 CD ARG A 50 18.986 38.951 25.991 1.00 0.00 C
388
+ ATOM 387 NE ARG A 50 18.931 38.070 27.155 1.00 0.00 N
389
+ ATOM 388 NH1 ARG A 50 21.051 38.593 27.910 1.00 0.00 N
390
+ ATOM 389 NH2 ARG A 50 19.757 37.092 29.061 1.00 0.00 N
391
+ ATOM 390 CZ ARG A 50 19.913 37.921 28.040 1.00 0.00 C
392
+ ATOM 391 N PHE A 51 16.044 41.244 21.477 1.00 0.00 N
393
+ ATOM 392 CA PHE A 51 15.995 42.038 20.254 1.00 0.00 C
394
+ ATOM 393 C PHE A 51 16.938 43.232 20.346 1.00 0.00 C
395
+ ATOM 394 CB PHE A 51 14.567 42.518 19.980 1.00 0.00 C
396
+ ATOM 395 O PHE A 51 17.329 43.800 19.325 1.00 0.00 O
397
+ ATOM 396 CG PHE A 51 13.623 41.415 19.580 1.00 0.00 C
398
+ ATOM 397 CD1 PHE A 51 13.165 41.314 18.272 1.00 0.00 C
399
+ ATOM 398 CD2 PHE A 51 13.194 40.481 20.513 1.00 0.00 C
400
+ ATOM 399 CE1 PHE A 51 12.291 40.294 17.900 1.00 0.00 C
401
+ ATOM 400 CE2 PHE A 51 12.320 39.461 20.149 1.00 0.00 C
402
+ ATOM 401 CZ PHE A 51 11.870 39.370 18.842 1.00 0.00 C
403
+ ATOM 402 N ASN A 52 17.298 43.600 21.540 1.00 0.00 N
404
+ ATOM 403 CA ASN A 52 18.182 44.747 21.719 1.00 0.00 C
405
+ ATOM 404 C ASN A 52 19.064 44.589 22.953 1.00 0.00 C
406
+ ATOM 405 CB ASN A 52 17.370 46.042 21.808 1.00 0.00 C
407
+ ATOM 406 O ASN A 52 18.743 45.113 24.022 1.00 0.00 O
408
+ ATOM 407 CG ASN A 52 18.236 47.281 21.709 1.00 0.00 C
409
+ ATOM 408 ND2 ASN A 52 17.643 48.441 21.969 1.00 0.00 N
410
+ ATOM 409 OD1 ASN A 52 19.427 47.199 21.399 1.00 0.00 O
411
+ ATOM 410 N GLU A 53 20.023 43.662 22.863 1.00 0.00 N
412
+ ATOM 411 CA GLU A 53 21.061 43.596 23.888 1.00 0.00 C
413
+ ATOM 412 C GLU A 53 22.321 44.333 23.445 1.00 0.00 C
414
+ ATOM 413 CB GLU A 53 21.393 42.140 24.223 1.00 0.00 C
415
+ ATOM 414 O GLU A 53 23.050 43.858 22.571 1.00 0.00 O
416
+ ATOM 415 CG GLU A 53 22.430 41.984 25.327 1.00 0.00 C
417
+ ATOM 416 CD GLU A 53 22.746 40.532 25.652 1.00 0.00 C
418
+ ATOM 417 OE1 GLU A 53 22.188 39.996 26.637 1.00 0.00 O
419
+ ATOM 418 OE2 GLU A 53 23.559 39.928 24.918 1.00 0.00 O
420
+ ATOM 419 N ASN A 54 22.697 45.369 24.103 1.00 0.00 N
421
+ ATOM 420 CA ASN A 54 23.839 46.178 23.695 1.00 0.00 C
422
+ ATOM 421 C ASN A 54 23.833 46.438 22.190 1.00 0.00 C
423
+ ATOM 422 CB ASN A 54 25.150 45.507 24.112 1.00 0.00 C
424
+ ATOM 423 O ASN A 54 24.847 46.239 21.518 1.00 0.00 O
425
+ ATOM 424 CG ASN A 54 25.267 45.338 25.614 1.00 0.00 C
426
+ ATOM 425 ND2 ASN A 54 25.835 44.218 26.043 1.00 0.00 N
427
+ ATOM 426 OD1 ASN A 54 24.848 46.208 26.383 1.00 0.00 O
428
+ ATOM 427 N ASN A 55 22.751 46.717 21.597 1.00 0.00 N
429
+ ATOM 428 CA ASN A 55 22.526 47.098 20.207 1.00 0.00 C
430
+ ATOM 429 C ASN A 55 22.688 45.908 19.265 1.00 0.00 C
431
+ ATOM 430 CB ASN A 55 23.473 48.230 19.800 1.00 0.00 C
432
+ ATOM 431 O ASN A 55 23.053 46.079 18.101 1.00 0.00 O
433
+ ATOM 432 CG ASN A 55 23.183 49.525 20.532 1.00 0.00 C
434
+ ATOM 433 ND2 ASN A 55 24.216 50.334 20.740 1.00 0.00 N
435
+ ATOM 434 OD1 ASN A 55 22.040 49.798 20.908 1.00 0.00 O
436
+ ATOM 435 N ARG A 56 22.508 44.778 19.750 1.00 0.00 N
437
+ ATOM 436 CA ARG A 56 22.565 43.583 18.913 1.00 0.00 C
438
+ ATOM 437 C ARG A 56 21.445 42.612 19.270 1.00 0.00 C
439
+ ATOM 438 CB ARG A 56 23.922 42.892 19.052 1.00 0.00 C
440
+ ATOM 439 O ARG A 56 20.972 42.591 20.407 1.00 0.00 O
441
+ ATOM 440 CG ARG A 56 24.203 42.362 20.448 1.00 0.00 C
442
+ ATOM 441 CD ARG A 56 25.580 41.719 20.541 1.00 0.00 C
443
+ ATOM 442 NE ARG A 56 25.835 41.181 21.874 1.00 0.00 N
444
+ ATOM 443 NH1 ARG A 56 27.765 40.059 21.277 1.00 0.00 N
445
+ ATOM 444 NH2 ARG A 56 27.004 39.971 23.437 1.00 0.00 N
446
+ ATOM 445 CZ ARG A 56 26.868 40.405 22.193 1.00 0.00 C
447
+ ATOM 446 N ARG A 57 21.015 41.891 18.307 1.00 0.00 N
448
+ ATOM 447 CA ARG A 57 20.071 40.797 18.510 1.00 0.00 C
449
+ ATOM 448 C ARG A 57 20.802 39.493 18.810 1.00 0.00 C
450
+ ATOM 449 CB ARG A 57 19.175 40.625 17.281 1.00 0.00 C
451
+ ATOM 450 O ARG A 57 21.759 39.137 18.120 1.00 0.00 O
452
+ ATOM 451 CG ARG A 57 18.356 41.859 16.939 1.00 0.00 C
453
+ ATOM 452 CD ARG A 57 17.409 41.603 15.775 1.00 0.00 C
454
+ ATOM 453 NE ARG A 57 18.136 41.341 14.536 1.00 0.00 N
455
+ ATOM 454 NH1 ARG A 57 16.245 41.055 13.242 1.00 0.00 N
456
+ ATOM 455 NH2 ARG A 57 18.324 40.863 12.297 1.00 0.00 N
457
+ ATOM 456 CZ ARG A 57 17.567 41.087 13.361 1.00 0.00 C
458
+ ATOM 457 N VAL A 58 20.327 38.777 19.781 1.00 0.00 N
459
+ ATOM 458 CA VAL A 58 20.991 37.549 20.206 1.00 0.00 C
460
+ ATOM 459 C VAL A 58 19.991 36.640 20.915 1.00 0.00 C
461
+ ATOM 460 CB VAL A 58 22.192 37.845 21.132 1.00 0.00 C
462
+ ATOM 461 O VAL A 58 18.995 37.112 21.468 1.00 0.00 O
463
+ ATOM 462 CG1 VAL A 58 21.728 38.527 22.417 1.00 0.00 C
464
+ ATOM 463 CG2 VAL A 58 22.950 36.557 21.450 1.00 0.00 C
465
+ ATOM 464 N ILE A 59 20.251 35.451 20.838 1.00 0.00 N
466
+ ATOM 465 CA ILE A 59 19.503 34.502 21.655 1.00 0.00 C
467
+ ATOM 466 C ILE A 59 20.394 33.969 22.774 1.00 0.00 C
468
+ ATOM 467 CB ILE A 59 18.954 33.334 20.805 1.00 0.00 C
469
+ ATOM 468 O ILE A 59 21.476 33.436 22.515 1.00 0.00 O
470
+ ATOM 469 CG1 ILE A 59 18.009 33.863 19.719 1.00 0.00 C
471
+ ATOM 470 CG2 ILE A 59 18.248 32.306 21.692 1.00 0.00 C
472
+ ATOM 471 CD1 ILE A 59 17.640 32.830 18.663 1.00 0.00 C
473
+ ATOM 472 N VAL A 60 19.907 34.116 24.044 1.00 0.00 N
474
+ ATOM 473 CA VAL A 60 20.657 33.661 25.210 1.00 0.00 C
475
+ ATOM 474 C VAL A 60 20.003 32.408 25.788 1.00 0.00 C
476
+ ATOM 475 CB VAL A 60 20.749 34.761 26.291 1.00 0.00 C
477
+ ATOM 476 O VAL A 60 18.802 32.399 26.068 1.00 0.00 O
478
+ ATOM 477 CG1 VAL A 60 21.513 34.254 27.513 1.00 0.00 C
479
+ ATOM 478 CG2 VAL A 60 21.414 36.013 25.722 1.00 0.00 C
480
+ ATOM 479 N CYS A 61 20.820 31.383 25.997 1.00 0.00 N
481
+ ATOM 480 CA CYS A 61 20.384 30.154 26.649 1.00 0.00 C
482
+ ATOM 481 C CYS A 61 21.159 29.917 27.939 1.00 0.00 C
483
+ ATOM 482 CB CYS A 61 20.560 28.960 25.712 1.00 0.00 C
484
+ ATOM 483 O CYS A 61 22.360 30.184 28.006 1.00 0.00 O
485
+ ATOM 484 SG CYS A 61 19.639 29.105 24.166 1.00 0.00 S
486
+ ATOM 485 N ASN A 62 20.477 29.479 28.893 1.00 0.00 N
487
+ ATOM 486 CA ASN A 62 21.106 29.251 30.190 1.00 0.00 C
488
+ ATOM 487 C ASN A 62 20.285 28.293 31.050 1.00 0.00 C
489
+ ATOM 488 CB ASN A 62 21.315 30.577 30.924 1.00 0.00 C
490
+ ATOM 489 O ASN A 62 19.215 27.843 30.637 1.00 0.00 O
491
+ ATOM 490 CG ASN A 62 22.531 30.556 31.830 1.00 0.00 C
492
+ ATOM 491 ND2 ASN A 62 23.128 31.721 32.048 1.00 0.00 N
493
+ ATOM 492 OD1 ASN A 62 22.930 29.500 32.330 1.00 0.00 O
494
+ ATOM 493 N THR A 63 20.811 27.950 32.146 1.00 0.00 N
495
+ ATOM 494 CA THR A 63 20.183 27.188 33.220 1.00 0.00 C
496
+ ATOM 495 C THR A 63 20.284 27.936 34.545 1.00 0.00 C
497
+ ATOM 496 CB THR A 63 20.824 25.794 33.363 1.00 0.00 C
498
+ ATOM 497 O THR A 63 21.324 28.518 34.859 1.00 0.00 O
499
+ ATOM 498 CG2 THR A 63 20.197 25.018 34.517 1.00 0.00 C
500
+ ATOM 499 OG1 THR A 63 20.635 25.060 32.148 1.00 0.00 O
501
+ ATOM 500 N LYS A 64 19.231 27.897 35.244 1.00 0.00 N
502
+ ATOM 501 CA LYS A 64 19.203 28.524 36.562 1.00 0.00 C
503
+ ATOM 502 C LYS A 64 18.943 27.491 37.656 1.00 0.00 C
504
+ ATOM 503 CB LYS A 64 18.139 29.620 36.613 1.00 0.00 C
505
+ ATOM 504 O LYS A 64 17.865 26.896 37.711 1.00 0.00 O
506
+ ATOM 505 CG LYS A 64 18.200 30.485 37.864 1.00 0.00 C
507
+ ATOM 506 CD LYS A 64 17.123 31.561 37.853 1.00 0.00 C
508
+ ATOM 507 CE LYS A 64 17.129 32.372 39.143 1.00 0.00 C
509
+ ATOM 508 NZ LYS A 64 15.919 33.241 39.256 1.00 0.00 N
510
+ ATOM 509 N LEU A 65 19.856 27.382 38.523 1.00 0.00 N
511
+ ATOM 510 CA LEU A 65 19.746 26.497 39.679 1.00 0.00 C
512
+ ATOM 511 C LEU A 65 19.934 27.274 40.977 1.00 0.00 C
513
+ ATOM 512 CB LEU A 65 20.778 25.370 39.591 1.00 0.00 C
514
+ ATOM 513 O LEU A 65 20.861 28.078 41.096 1.00 0.00 O
515
+ ATOM 514 CG LEU A 65 20.677 24.452 38.372 1.00 0.00 C
516
+ ATOM 515 CD1 LEU A 65 21.861 23.492 38.331 1.00 0.00 C
517
+ ATOM 516 CD2 LEU A 65 19.360 23.684 38.387 1.00 0.00 C
518
+ ATOM 517 N ASP A 66 19.048 26.998 41.905 1.00 0.00 N
519
+ ATOM 518 CA ASP A 66 19.127 27.643 43.212 1.00 0.00 C
520
+ ATOM 519 C ASP A 66 19.305 29.153 43.070 1.00 0.00 C
521
+ ATOM 520 CB ASP A 66 20.275 27.053 44.033 1.00 0.00 C
522
+ ATOM 521 O ASP A 66 20.198 29.738 43.686 1.00 0.00 O
523
+ ATOM 522 CG ASP A 66 20.064 25.591 44.384 1.00 0.00 C
524
+ ATOM 523 OD1 ASP A 66 18.929 25.208 44.741 1.00 0.00 O
525
+ ATOM 524 OD2 ASP A 66 21.042 24.815 44.307 1.00 0.00 O
526
+ ATOM 525 N ASN A 67 18.646 29.804 42.206 1.00 0.00 N
527
+ ATOM 526 CA ASN A 67 18.556 31.239 41.957 1.00 0.00 C
528
+ ATOM 527 C ASN A 67 19.855 31.790 41.376 1.00 0.00 C
529
+ ATOM 528 CB ASN A 67 18.190 31.985 43.242 1.00 0.00 C
530
+ ATOM 529 O ASN A 67 20.122 32.989 41.468 1.00 0.00 O
531
+ ATOM 530 CG ASN A 67 16.747 31.769 43.652 1.00 0.00 C
532
+ ATOM 531 ND2 ASN A 67 16.483 31.839 44.952 1.00 0.00 N
533
+ ATOM 532 OD1 ASN A 67 15.876 31.540 42.809 1.00 0.00 O
534
+ ATOM 533 N ASN A 68 20.613 30.877 40.864 1.00 0.00 N
535
+ ATOM 534 CA ASN A 68 21.851 31.307 40.226 1.00 0.00 C
536
+ ATOM 535 C ASN A 68 21.922 30.849 38.772 1.00 0.00 C
537
+ ATOM 536 CB ASN A 68 23.064 30.791 41.004 1.00 0.00 C
538
+ ATOM 537 O ASN A 68 21.815 29.655 38.486 1.00 0.00 O
539
+ ATOM 538 CG ASN A 68 23.171 31.398 42.389 1.00 0.00 C
540
+ ATOM 539 ND2 ASN A 68 23.240 30.548 43.405 1.00 0.00 N
541
+ ATOM 540 OD1 ASN A 68 23.189 32.623 42.544 1.00 0.00 O
542
+ ATOM 541 N TRP A 69 22.099 31.738 37.906 1.00 0.00 N
543
+ ATOM 542 CA TRP A 69 22.317 31.430 36.497 1.00 0.00 C
544
+ ATOM 543 C TRP A 69 23.684 30.791 36.284 1.00 0.00 C
545
+ ATOM 544 CB TRP A 69 22.193 32.696 35.644 1.00 0.00 C
546
+ ATOM 545 O TRP A 69 24.646 31.119 36.982 1.00 0.00 O
547
+ ATOM 546 CG TRP A 69 20.792 33.214 35.523 1.00 0.00 C
548
+ ATOM 547 CD1 TRP A 69 20.287 34.361 36.070 1.00 0.00 C
549
+ ATOM 548 CD2 TRP A 69 19.712 32.600 34.813 1.00 0.00 C
550
+ ATOM 549 CE2 TRP A 69 18.580 33.431 34.972 1.00 0.00 C
551
+ ATOM 550 CE3 TRP A 69 19.591 31.427 34.057 1.00 0.00 C
552
+ ATOM 551 NE1 TRP A 69 18.958 34.497 35.742 1.00 0.00 N
553
+ ATOM 552 CH2 TRP A 69 17.252 31.972 33.666 1.00 0.00 C
554
+ ATOM 553 CZ2 TRP A 69 17.343 33.125 34.401 1.00 0.00 C
555
+ ATOM 554 CZ3 TRP A 69 18.358 31.124 33.489 1.00 0.00 C
556
+ ATOM 555 N GLY A 70 23.710 29.920 35.414 1.00 0.00 N
557
+ ATOM 556 CA GLY A 70 24.961 29.289 35.025 1.00 0.00 C
558
+ ATOM 557 C GLY A 70 25.645 29.986 33.864 1.00 0.00 C
559
+ ATOM 558 O GLY A 70 25.463 31.188 33.661 1.00 0.00 O
560
+ ATOM 559 N ARG A 71 26.469 29.194 33.151 1.00 0.00 N
561
+ ATOM 560 CA ARG A 71 27.164 29.727 31.983 1.00 0.00 C
562
+ ATOM 561 C ARG A 71 26.201 29.928 30.818 1.00 0.00 C
563
+ ATOM 562 CB ARG A 71 28.305 28.797 31.566 1.00 0.00 C
564
+ ATOM 563 O ARG A 71 25.516 28.990 30.402 1.00 0.00 O
565
+ ATOM 564 CG ARG A 71 29.139 29.326 30.410 1.00 0.00 C
566
+ ATOM 565 CD ARG A 71 30.255 28.362 30.032 1.00 0.00 C
567
+ ATOM 566 NE ARG A 71 30.929 28.773 28.803 1.00 0.00 N
568
+ ATOM 567 NH1 ARG A 71 32.200 26.854 28.614 1.00 0.00 N
569
+ ATOM 568 NH2 ARG A 71 32.388 28.518 27.049 1.00 0.00 N
570
+ ATOM 569 CZ ARG A 71 31.838 28.048 28.158 1.00 0.00 C
571
+ ATOM 570 N GLU A 72 26.236 31.083 30.223 1.00 0.00 N
572
+ ATOM 571 CA GLU A 72 25.378 31.411 29.089 1.00 0.00 C
573
+ ATOM 572 C GLU A 72 25.881 30.754 27.808 1.00 0.00 C
574
+ ATOM 573 CB GLU A 72 25.289 32.929 28.902 1.00 0.00 C
575
+ ATOM 574 O GLU A 72 27.090 30.631 27.599 1.00 0.00 O
576
+ ATOM 575 CG GLU A 72 24.572 33.646 30.036 1.00 0.00 C
577
+ ATOM 576 CD GLU A 72 24.394 35.136 29.786 1.00 0.00 C
578
+ ATOM 577 OE1 GLU A 72 25.075 35.686 28.890 1.00 0.00 O
579
+ ATOM 578 OE2 GLU A 72 23.569 35.758 30.491 1.00 0.00 O
580
+ ATOM 579 N GLU A 73 25.032 30.313 27.025 1.00 0.00 N
581
+ ATOM 580 CA GLU A 73 25.271 29.992 25.621 1.00 0.00 C
582
+ ATOM 581 C GLU A 73 24.531 30.957 24.701 1.00 0.00 C
583
+ ATOM 582 CB GLU A 73 24.851 28.551 25.322 1.00 0.00 C
584
+ ATOM 583 O GLU A 73 23.321 31.152 24.840 1.00 0.00 O
585
+ ATOM 584 CG GLU A 73 25.638 27.506 26.099 1.00 0.00 C
586
+ ATOM 585 CD GLU A 73 25.264 26.078 25.732 1.00 0.00 C
587
+ ATOM 586 OE1 GLU A 73 24.746 25.854 24.615 1.00 0.00 O
588
+ ATOM 587 OE2 GLU A 73 25.491 25.176 26.570 1.00 0.00 O
589
+ ATOM 588 N ARG A 74 25.264 31.503 23.739 1.00 0.00 N
590
+ ATOM 589 CA ARG A 74 24.689 32.560 22.913 1.00 0.00 C
591
+ ATOM 590 C ARG A 74 24.654 32.150 21.445 1.00 0.00 C
592
+ ATOM 591 CB ARG A 74 25.479 33.861 23.076 1.00 0.00 C
593
+ ATOM 592 O ARG A 74 25.626 31.596 20.928 1.00 0.00 O
594
+ ATOM 593 CG ARG A 74 25.434 34.437 24.482 1.00 0.00 C
595
+ ATOM 594 CD ARG A 74 26.281 35.695 24.603 1.00 0.00 C
596
+ ATOM 595 NE ARG A 74 26.165 36.300 25.928 1.00 0.00 N
597
+ ATOM 596 NH1 ARG A 74 25.024 38.173 25.201 1.00 0.00 N
598
+ ATOM 597 NH2 ARG A 74 25.520 37.918 27.425 1.00 0.00 N
599
+ ATOM 598 CZ ARG A 74 25.570 37.462 26.181 1.00 0.00 C
600
+ ATOM 599 N GLN A 75 23.583 32.429 20.773 1.00 0.00 N
601
+ ATOM 600 CA GLN A 75 23.321 32.145 19.365 1.00 0.00 C
602
+ ATOM 601 C GLN A 75 23.087 33.430 18.578 1.00 0.00 C
603
+ ATOM 602 CB GLN A 75 22.116 31.214 19.221 1.00 0.00 C
604
+ ATOM 603 O GLN A 75 22.196 34.215 18.910 1.00 0.00 O
605
+ ATOM 604 CG GLN A 75 21.640 31.042 17.785 1.00 0.00 C
606
+ ATOM 605 CD GLN A 75 22.681 30.389 16.896 1.00 0.00 C
607
+ ATOM 606 NE2 GLN A 75 22.421 29.153 16.486 1.00 0.00 N
608
+ ATOM 607 OE1 GLN A 75 23.711 30.993 16.578 1.00 0.00 O
609
+ ATOM 608 N SER A 76 23.916 33.576 17.550 1.00 0.00 N
610
+ ATOM 609 CA SER A 76 23.889 34.845 16.829 1.00 0.00 C
611
+ ATOM 610 C SER A 76 22.824 34.838 15.737 1.00 0.00 C
612
+ ATOM 611 CB SER A 76 25.258 35.143 16.217 1.00 0.00 C
613
+ ATOM 612 O SER A 76 22.357 35.896 15.313 1.00 0.00 O
614
+ ATOM 613 OG SER A 76 25.673 34.083 15.372 1.00 0.00 O
615
+ ATOM 614 N VAL A 77 22.447 33.629 15.169 1.00 0.00 N
616
+ ATOM 615 CA VAL A 77 21.343 33.566 14.217 1.00 0.00 C
617
+ ATOM 616 C VAL A 77 20.034 33.924 14.918 1.00 0.00 C
618
+ ATOM 617 CB VAL A 77 21.234 32.169 13.566 1.00 0.00 C
619
+ ATOM 618 O VAL A 77 19.667 33.301 15.916 1.00 0.00 O
620
+ ATOM 619 CG1 VAL A 77 20.043 32.109 12.610 1.00 0.00 C
621
+ ATOM 620 CG2 VAL A 77 22.529 31.819 12.835 1.00 0.00 C
622
+ ATOM 621 N PHE A 78 19.327 34.847 14.428 1.00 0.00 N
623
+ ATOM 622 CA PHE A 78 18.166 35.424 15.094 1.00 0.00 C
624
+ ATOM 623 C PHE A 78 16.957 35.434 14.166 1.00 0.00 C
625
+ ATOM 624 CB PHE A 78 18.471 36.847 15.573 1.00 0.00 C
626
+ ATOM 625 O PHE A 78 16.723 36.412 13.453 1.00 0.00 O
627
+ ATOM 626 CG PHE A 78 17.514 37.354 16.619 1.00 0.00 C
628
+ ATOM 627 CD1 PHE A 78 17.760 37.136 17.969 1.00 0.00 C
629
+ ATOM 628 CD2 PHE A 78 16.369 38.048 16.251 1.00 0.00 C
630
+ ATOM 629 CE1 PHE A 78 16.876 37.605 18.939 1.00 0.00 C
631
+ ATOM 630 CE2 PHE A 78 15.482 38.519 17.214 1.00 0.00 C
632
+ ATOM 631 CZ PHE A 78 15.736 38.296 18.557 1.00 0.00 C
633
+ ATOM 632 N PRO A 79 16.138 34.459 14.160 1.00 0.00 N
634
+ ATOM 633 CA PRO A 79 15.057 34.288 13.186 1.00 0.00 C
635
+ ATOM 634 C PRO A 79 13.741 34.910 13.648 1.00 0.00 C
636
+ ATOM 635 CB PRO A 79 14.928 32.766 13.067 1.00 0.00 C
637
+ ATOM 636 O PRO A 79 12.665 34.413 13.307 1.00 0.00 O
638
+ ATOM 637 CG PRO A 79 15.271 32.247 14.426 1.00 0.00 C
639
+ ATOM 638 CD PRO A 79 16.353 33.110 15.008 1.00 0.00 C
640
+ ATOM 639 N PHE A 80 13.728 35.912 14.482 1.00 0.00 N
641
+ ATOM 640 CA PHE A 80 12.536 36.585 14.984 1.00 0.00 C
642
+ ATOM 641 C PHE A 80 12.457 38.011 14.454 1.00 0.00 C
643
+ ATOM 642 CB PHE A 80 12.525 36.592 16.516 1.00 0.00 C
644
+ ATOM 643 O PHE A 80 13.446 38.747 14.488 1.00 0.00 O
645
+ ATOM 644 CG PHE A 80 12.571 35.219 17.129 1.00 0.00 C
646
+ ATOM 645 CD1 PHE A 80 11.407 34.482 17.306 1.00 0.00 C
647
+ ATOM 646 CD2 PHE A 80 13.780 34.664 17.529 1.00 0.00 C
648
+ ATOM 647 CE1 PHE A 80 11.446 33.210 17.874 1.00 0.00 C
649
+ ATOM 648 CE2 PHE A 80 13.827 33.395 18.098 1.00 0.00 C
650
+ ATOM 649 CZ PHE A 80 12.659 32.670 18.270 1.00 0.00 C
651
+ ATOM 650 N GLU A 81 11.302 38.420 13.967 1.00 0.00 N
652
+ ATOM 651 CA GLU A 81 11.061 39.764 13.452 1.00 0.00 C
653
+ ATOM 652 C GLU A 81 9.815 40.381 14.083 1.00 0.00 C
654
+ ATOM 653 CB GLU A 81 10.922 39.740 11.927 1.00 0.00 C
655
+ ATOM 654 O GLU A 81 8.755 39.754 14.119 1.00 0.00 O
656
+ ATOM 655 CG GLU A 81 12.205 39.368 11.199 1.00 0.00 C
657
+ ATOM 656 CD GLU A 81 12.046 39.327 9.688 1.00 0.00 C
658
+ ATOM 657 OE1 GLU A 81 11.212 40.085 9.144 1.00 0.00 O
659
+ ATOM 658 OE2 GLU A 81 12.762 38.529 9.042 1.00 0.00 O
660
+ ATOM 659 N SER A 82 9.994 41.570 14.467 1.00 0.00 N
661
+ ATOM 660 CA SER A 82 8.880 42.292 15.072 1.00 0.00 C
662
+ ATOM 661 C SER A 82 7.678 42.342 14.135 1.00 0.00 C
663
+ ATOM 662 CB SER A 82 9.303 43.714 15.447 1.00 0.00 C
664
+ ATOM 663 O SER A 82 7.828 42.604 12.940 1.00 0.00 O
665
+ ATOM 664 OG SER A 82 10.244 43.695 16.506 1.00 0.00 O
666
+ ATOM 665 N GLY A 83 6.553 42.066 14.637 1.00 0.00 N
667
+ ATOM 666 CA GLY A 83 5.307 42.126 13.888 1.00 0.00 C
668
+ ATOM 667 C GLY A 83 5.059 40.889 13.045 1.00 0.00 C
669
+ ATOM 668 O GLY A 83 4.047 40.802 12.345 1.00 0.00 O
670
+ ATOM 669 N LYS A 84 5.945 39.912 13.048 1.00 0.00 N
671
+ ATOM 670 CA LYS A 84 5.837 38.741 12.181 1.00 0.00 C
672
+ ATOM 671 C LYS A 84 5.547 37.481 12.991 1.00 0.00 C
673
+ ATOM 672 CB LYS A 84 7.118 38.557 11.364 1.00 0.00 C
674
+ ATOM 673 O LYS A 84 5.934 37.385 14.158 1.00 0.00 O
675
+ ATOM 674 CG LYS A 84 7.457 39.741 10.470 1.00 0.00 C
676
+ ATOM 675 CD LYS A 84 6.422 39.923 9.369 1.00 0.00 C
677
+ ATOM 676 CE LYS A 84 6.785 41.078 8.444 1.00 0.00 C
678
+ ATOM 677 NZ LYS A 84 5.791 41.239 7.341 1.00 0.00 N
679
+ ATOM 678 N PRO A 85 4.832 36.532 12.362 1.00 0.00 N
680
+ ATOM 679 CA PRO A 85 4.586 35.260 13.045 1.00 0.00 C
681
+ ATOM 680 C PRO A 85 5.850 34.417 13.194 1.00 0.00 C
682
+ ATOM 681 CB PRO A 85 3.570 34.563 12.135 1.00 0.00 C
683
+ ATOM 682 O PRO A 85 6.817 34.610 12.453 1.00 0.00 O
684
+ ATOM 683 CG PRO A 85 3.832 35.119 10.773 1.00 0.00 C
685
+ ATOM 684 CD PRO A 85 4.236 36.559 10.914 1.00 0.00 C
686
+ ATOM 685 N PHE A 86 5.879 33.577 14.101 1.00 0.00 N
687
+ ATOM 686 CA PHE A 86 6.938 32.592 14.286 1.00 0.00 C
688
+ ATOM 687 C PHE A 86 6.357 31.240 14.680 1.00 0.00 C
689
+ ATOM 688 CB PHE A 86 7.934 33.066 15.349 1.00 0.00 C
690
+ ATOM 689 O PHE A 86 5.227 31.161 15.167 1.00 0.00 O
691
+ ATOM 690 CG PHE A 86 7.356 33.133 16.737 1.00 0.00 C
692
+ ATOM 691 CD1 PHE A 86 6.894 34.336 17.254 1.00 0.00 C
693
+ ATOM 692 CD2 PHE A 86 7.273 31.991 17.524 1.00 0.00 C
694
+ ATOM 693 CE1 PHE A 86 6.357 34.402 18.539 1.00 0.00 C
695
+ ATOM 694 CE2 PHE A 86 6.738 32.049 18.808 1.00 0.00 C
696
+ ATOM 695 CZ PHE A 86 6.281 33.255 19.314 1.00 0.00 C
697
+ ATOM 696 N LYS A 87 7.067 30.196 14.433 1.00 0.00 N
698
+ ATOM 697 CA LYS A 87 6.879 28.832 14.921 1.00 0.00 C
699
+ ATOM 698 C LYS A 87 8.143 28.312 15.601 1.00 0.00 C
700
+ ATOM 699 CB LYS A 87 6.482 27.902 13.773 1.00 0.00 C
701
+ ATOM 700 O LYS A 87 9.183 28.160 14.956 1.00 0.00 O
702
+ ATOM 701 CG LYS A 87 6.255 26.458 14.198 1.00 0.00 C
703
+ ATOM 702 CD LYS A 87 5.709 25.617 13.050 1.00 0.00 C
704
+ ATOM 703 CE LYS A 87 6.771 25.359 11.990 1.00 0.00 C
705
+ ATOM 704 NZ LYS A 87 6.330 24.329 11.003 1.00 0.00 N
706
+ ATOM 705 N ILE A 88 8.072 28.118 16.895 1.00 0.00 N
707
+ ATOM 706 CA ILE A 88 9.169 27.507 17.638 1.00 0.00 C
708
+ ATOM 707 C ILE A 88 8.855 26.037 17.904 1.00 0.00 C
709
+ ATOM 708 CB ILE A 88 9.432 28.249 18.968 1.00 0.00 C
710
+ ATOM 709 O ILE A 88 7.760 25.701 18.361 1.00 0.00 O
711
+ ATOM 710 CG1 ILE A 88 9.823 29.707 18.698 1.00 0.00 C
712
+ ATOM 711 CG2 ILE A 88 10.516 27.533 19.779 1.00 0.00 C
713
+ ATOM 712 CD1 ILE A 88 9.850 30.581 19.945 1.00 0.00 C
714
+ ATOM 713 N GLN A 89 9.804 25.148 17.656 1.00 0.00 N
715
+ ATOM 714 CA GLN A 89 9.746 23.729 17.990 1.00 0.00 C
716
+ ATOM 715 C GLN A 89 10.927 23.322 18.865 1.00 0.00 C
717
+ ATOM 716 CB GLN A 89 9.717 22.879 16.718 1.00 0.00 C
718
+ ATOM 717 O GLN A 89 12.077 23.644 18.556 1.00 0.00 O
719
+ ATOM 718 CG GLN A 89 8.500 23.130 15.839 1.00 0.00 C
720
+ ATOM 719 CD GLN A 89 8.618 22.479 14.473 1.00 0.00 C
721
+ ATOM 720 NE2 GLN A 89 7.889 21.388 14.271 1.00 0.00 N
722
+ ATOM 721 OE1 GLN A 89 9.360 22.955 13.606 1.00 0.00 O
723
+ ATOM 722 N VAL A 90 10.629 22.675 19.951 1.00 0.00 N
724
+ ATOM 723 CA VAL A 90 11.653 22.132 20.838 1.00 0.00 C
725
+ ATOM 724 C VAL A 90 11.494 20.617 20.945 1.00 0.00 C
726
+ ATOM 725 CB VAL A 90 11.588 22.776 22.241 1.00 0.00 C
727
+ ATOM 726 O VAL A 90 10.478 20.128 21.443 1.00 0.00 O
728
+ ATOM 727 CG1 VAL A 90 12.724 22.261 23.124 1.00 0.00 C
729
+ ATOM 728 CG2 VAL A 90 11.640 24.298 22.132 1.00 0.00 C
730
+ ATOM 729 N LEU A 91 12.446 19.928 20.433 1.00 0.00 N
731
+ ATOM 730 CA LEU A 91 12.486 18.474 20.533 1.00 0.00 C
732
+ ATOM 731 C LEU A 91 13.375 18.032 21.691 1.00 0.00 C
733
+ ATOM 732 CB LEU A 91 12.991 17.861 19.224 1.00 0.00 C
734
+ ATOM 733 O LEU A 91 14.528 18.459 21.791 1.00 0.00 O
735
+ ATOM 734 CG LEU A 91 13.084 16.334 19.182 1.00 0.00 C
736
+ ATOM 735 CD1 LEU A 91 11.703 15.713 19.362 1.00 0.00 C
737
+ ATOM 736 CD2 LEU A 91 13.716 15.872 17.873 1.00 0.00 C
738
+ ATOM 737 N VAL A 92 12.797 17.187 22.579 1.00 0.00 N
739
+ ATOM 738 CA VAL A 92 13.545 16.662 23.716 1.00 0.00 C
740
+ ATOM 739 C VAL A 92 14.259 15.373 23.314 1.00 0.00 C
741
+ ATOM 740 CB VAL A 92 12.626 16.405 24.932 1.00 0.00 C
742
+ ATOM 741 O VAL A 92 13.613 14.365 23.020 1.00 0.00 O
743
+ ATOM 742 CG1 VAL A 92 13.438 15.906 26.125 1.00 0.00 C
744
+ ATOM 743 CG2 VAL A 92 11.859 17.675 25.297 1.00 0.00 C
745
+ ATOM 744 N GLU A 93 15.532 15.439 23.260 1.00 0.00 N
746
+ ATOM 745 CA GLU A 93 16.377 14.274 23.017 1.00 0.00 C
747
+ ATOM 746 C GLU A 93 17.009 13.770 24.311 1.00 0.00 C
748
+ ATOM 747 CB GLU A 93 17.468 14.605 21.994 1.00 0.00 C
749
+ ATOM 748 O GLU A 93 16.931 14.435 25.346 1.00 0.00 O
750
+ ATOM 749 CG GLU A 93 16.930 14.952 20.612 1.00 0.00 C
751
+ ATOM 750 CD GLU A 93 16.511 13.731 19.808 1.00 0.00 C
752
+ ATOM 751 OE1 GLU A 93 16.827 12.594 20.224 1.00 0.00 O
753
+ ATOM 752 OE2 GLU A 93 15.863 13.915 18.754 1.00 0.00 O
754
+ ATOM 753 N PRO A 94 17.579 12.623 24.305 1.00 0.00 N
755
+ ATOM 754 CA PRO A 94 18.171 12.101 25.539 1.00 0.00 C
756
+ ATOM 755 C PRO A 94 19.260 13.010 26.103 1.00 0.00 C
757
+ ATOM 756 CB PRO A 94 18.753 10.753 25.107 1.00 0.00 C
758
+ ATOM 757 O PRO A 94 19.422 13.103 27.322 1.00 0.00 O
759
+ ATOM 758 CG PRO A 94 17.868 10.293 23.994 1.00 0.00 C
760
+ ATOM 759 CD PRO A 94 17.461 11.490 23.183 1.00 0.00 C
761
+ ATOM 760 N ASP A 95 19.933 13.700 25.315 1.00 0.00 N
762
+ ATOM 761 CA ASP A 95 21.115 14.410 25.795 1.00 0.00 C
763
+ ATOM 762 C ASP A 95 20.947 15.921 25.648 1.00 0.00 C
764
+ ATOM 763 CB ASP A 95 22.363 13.944 25.040 1.00 0.00 C
765
+ ATOM 764 O ASP A 95 21.760 16.693 26.159 1.00 0.00 O
766
+ ATOM 765 CG ASP A 95 22.713 12.491 25.311 1.00 0.00 C
767
+ ATOM 766 OD1 ASP A 95 22.592 12.041 26.471 1.00 0.00 O
768
+ ATOM 767 OD2 ASP A 95 23.115 11.791 24.358 1.00 0.00 O
769
+ ATOM 768 N HIS A 96 19.955 16.411 24.878 1.00 0.00 N
770
+ ATOM 769 CA HIS A 96 19.850 17.843 24.625 1.00 0.00 C
771
+ ATOM 770 C HIS A 96 18.436 18.225 24.200 1.00 0.00 C
772
+ ATOM 771 CB HIS A 96 20.855 18.273 23.554 1.00 0.00 C
773
+ ATOM 772 O HIS A 96 17.629 17.358 23.861 1.00 0.00 O
774
+ ATOM 773 CG HIS A 96 20.669 17.575 22.243 1.00 0.00 C
775
+ ATOM 774 CD2 HIS A 96 19.999 17.944 21.127 1.00 0.00 C
776
+ ATOM 775 ND1 HIS A 96 21.209 16.335 21.977 1.00 0.00 N
777
+ ATOM 776 CE1 HIS A 96 20.879 15.973 20.748 1.00 0.00 C
778
+ ATOM 777 NE2 HIS A 96 20.145 16.932 20.211 1.00 0.00 N
779
+ ATOM 778 N PHE A 97 18.191 19.420 24.304 1.00 0.00 N
780
+ ATOM 779 CA PHE A 97 17.078 20.051 23.604 1.00 0.00 C
781
+ ATOM 780 C PHE A 97 17.494 20.483 22.203 1.00 0.00 C
782
+ ATOM 781 CB PHE A 97 16.560 21.258 24.393 1.00 0.00 C
783
+ ATOM 782 O PHE A 97 18.579 21.039 22.016 1.00 0.00 O
784
+ ATOM 783 CG PHE A 97 15.982 20.902 25.736 1.00 0.00 C
785
+ ATOM 784 CD1 PHE A 97 14.690 20.402 25.843 1.00 0.00 C
786
+ ATOM 785 CD2 PHE A 97 16.732 21.068 26.894 1.00 0.00 C
787
+ ATOM 786 CE1 PHE A 97 14.153 20.071 27.085 1.00 0.00 C
788
+ ATOM 787 CE2 PHE A 97 16.203 20.740 28.138 1.00 0.00 C
789
+ ATOM 788 CZ PHE A 97 14.912 20.243 28.232 1.00 0.00 C
790
+ ATOM 789 N LYS A 98 16.690 20.185 21.244 1.00 0.00 N
791
+ ATOM 790 CA LYS A 98 16.860 20.662 19.873 1.00 0.00 C
792
+ ATOM 791 C LYS A 98 15.804 21.705 19.520 1.00 0.00 C
793
+ ATOM 792 CB LYS A 98 16.793 19.494 18.888 1.00 0.00 C
794
+ ATOM 793 O LYS A 98 14.604 21.435 19.604 1.00 0.00 O
795
+ ATOM 794 CG LYS A 98 17.282 19.838 17.488 1.00 0.00 C
796
+ ATOM 795 CD LYS A 98 17.177 18.642 16.550 1.00 0.00 C
797
+ ATOM 796 CE LYS A 98 18.281 17.627 16.812 1.00 0.00 C
798
+ ATOM 797 NZ LYS A 98 18.162 16.435 15.918 1.00 0.00 N
799
+ ATOM 798 N VAL A 99 16.257 22.855 19.039 1.00 0.00 N
800
+ ATOM 799 CA VAL A 99 15.352 23.968 18.771 1.00 0.00 C
801
+ ATOM 800 C VAL A 99 15.346 24.281 17.276 1.00 0.00 C
802
+ ATOM 801 CB VAL A 99 15.745 25.227 19.577 1.00 0.00 C
803
+ ATOM 802 O VAL A 99 16.405 24.431 16.663 1.00 0.00 O
804
+ ATOM 803 CG1 VAL A 99 14.735 26.350 19.352 1.00 0.00 C
805
+ ATOM 804 CG2 VAL A 99 15.856 24.895 21.064 1.00 0.00 C
806
+ ATOM 805 N ALA A 100 14.196 24.396 16.734 1.00 0.00 N
807
+ ATOM 806 CA ALA A 100 13.951 24.910 15.390 1.00 0.00 C
808
+ ATOM 807 C ALA A 100 12.997 26.101 15.423 1.00 0.00 C
809
+ ATOM 808 CB ALA A 100 13.392 23.809 14.492 1.00 0.00 C
810
+ ATOM 809 O ALA A 100 12.079 26.145 16.247 1.00 0.00 O
811
+ ATOM 810 N VAL A 101 13.233 27.029 14.569 1.00 0.00 N
812
+ ATOM 811 CA VAL A 101 12.351 28.178 14.394 1.00 0.00 C
813
+ ATOM 812 C VAL A 101 11.968 28.316 12.923 1.00 0.00 C
814
+ ATOM 813 CB VAL A 101 13.010 29.482 14.898 1.00 0.00 C
815
+ ATOM 814 O VAL A 101 12.838 28.335 12.048 1.00 0.00 O
816
+ ATOM 815 CG1 VAL A 101 12.072 30.671 14.701 1.00 0.00 C
817
+ ATOM 816 CG2 VAL A 101 13.405 29.345 16.367 1.00 0.00 C
818
+ ATOM 817 N ASN A 102 10.730 28.391 12.753 1.00 0.00 N
819
+ ATOM 818 CA ASN A 102 10.212 28.472 11.392 1.00 0.00 C
820
+ ATOM 819 C ASN A 102 10.770 27.357 10.512 1.00 0.00 C
821
+ ATOM 820 CB ASN A 102 10.524 29.838 10.779 1.00 0.00 C
822
+ ATOM 821 O ASN A 102 11.242 27.613 9.403 1.00 0.00 O
823
+ ATOM 822 CG ASN A 102 9.900 30.982 11.553 1.00 0.00 C
824
+ ATOM 823 ND2 ASN A 102 10.544 32.142 11.519 1.00 0.00 N
825
+ ATOM 824 OD1 ASN A 102 8.849 30.824 12.179 1.00 0.00 O
826
+ ATOM 825 N ASP A 103 10.723 26.231 11.014 1.00 0.00 N
827
+ ATOM 826 CA ASP A 103 11.010 24.960 10.356 1.00 0.00 C
828
+ ATOM 827 C ASP A 103 12.481 24.866 9.959 1.00 0.00 C
829
+ ATOM 828 CB ASP A 103 10.120 24.780 9.125 1.00 0.00 C
830
+ ATOM 829 O ASP A 103 12.844 24.074 9.087 1.00 0.00 O
831
+ ATOM 830 CG ASP A 103 8.643 24.685 9.469 1.00 0.00 C
832
+ ATOM 831 OD1 ASP A 103 8.294 24.058 10.492 1.00 0.00 O
833
+ ATOM 832 OD2 ASP A 103 7.821 25.241 8.708 1.00 0.00 O
834
+ ATOM 833 N ALA A 104 13.266 25.696 10.559 1.00 0.00 N
835
+ ATOM 834 CA ALA A 104 14.711 25.631 10.351 1.00 0.00 C
836
+ ATOM 835 C ALA A 104 15.445 25.381 11.666 1.00 0.00 C
837
+ ATOM 836 CB ALA A 104 15.213 26.919 9.701 1.00 0.00 C
838
+ ATOM 837 O ALA A 104 15.143 26.013 12.681 1.00 0.00 O
839
+ ATOM 838 N HIS A 105 16.377 24.417 11.640 1.00 0.00 N
840
+ ATOM 839 CA HIS A 105 17.201 24.152 12.813 1.00 0.00 C
841
+ ATOM 840 C HIS A 105 17.916 25.415 13.281 1.00 0.00 C
842
+ ATOM 841 CB HIS A 105 18.221 23.051 12.516 1.00 0.00 C
843
+ ATOM 842 O HIS A 105 18.484 26.148 12.468 1.00 0.00 O
844
+ ATOM 843 CG HIS A 105 19.193 22.818 13.627 1.00 0.00 C
845
+ ATOM 844 CD2 HIS A 105 20.514 23.096 13.726 1.00 0.00 C
846
+ ATOM 845 ND1 HIS A 105 18.834 22.226 14.819 1.00 0.00 N
847
+ ATOM 846 CE1 HIS A 105 19.895 22.150 15.604 1.00 0.00 C
848
+ ATOM 847 NE2 HIS A 105 20.928 22.672 14.965 1.00 0.00 N
849
+ ATOM 848 N LEU A 106 17.894 25.677 14.614 1.00 0.00 N
850
+ ATOM 849 CA LEU A 106 18.521 26.882 15.145 1.00 0.00 C
851
+ ATOM 850 C LEU A 106 19.679 26.530 16.072 1.00 0.00 C
852
+ ATOM 851 CB LEU A 106 17.493 27.735 15.894 1.00 0.00 C
853
+ ATOM 852 O LEU A 106 20.803 26.995 15.873 1.00 0.00 O
854
+ ATOM 853 CG LEU A 106 18.006 29.048 16.488 1.00 0.00 C
855
+ ATOM 854 CD1 LEU A 106 18.468 29.987 15.379 1.00 0.00 C
856
+ ATOM 855 CD2 LEU A 106 16.925 29.709 17.338 1.00 0.00 C
857
+ ATOM 856 N LEU A 107 19.450 25.730 17.115 1.00 0.00 N
858
+ ATOM 857 CA LEU A 107 20.494 25.437 18.091 1.00 0.00 C
859
+ ATOM 858 C LEU A 107 20.170 24.166 18.868 1.00 0.00 C
860
+ ATOM 859 CB LEU A 107 20.667 26.610 19.058 1.00 0.00 C
861
+ ATOM 860 O LEU A 107 19.061 23.635 18.767 1.00 0.00 O
862
+ ATOM 861 CG LEU A 107 19.446 26.981 19.901 1.00 0.00 C
863
+ ATOM 862 CD1 LEU A 107 19.343 26.068 21.118 1.00 0.00 C
864
+ ATOM 863 CD2 LEU A 107 19.514 28.444 20.328 1.00 0.00 C
865
+ ATOM 864 N GLN A 108 21.054 23.713 19.569 1.00 0.00 N
866
+ ATOM 865 CA GLN A 108 20.946 22.635 20.547 1.00 0.00 C
867
+ ATOM 866 C GLN A 108 21.454 23.081 21.915 1.00 0.00 C
868
+ ATOM 867 CB GLN A 108 21.718 21.402 20.075 1.00 0.00 C
869
+ ATOM 868 O GLN A 108 22.378 23.891 22.006 1.00 0.00 O
870
+ ATOM 869 CG GLN A 108 21.149 20.765 18.814 1.00 0.00 C
871
+ ATOM 870 CD GLN A 108 21.999 19.616 18.303 1.00 0.00 C
872
+ ATOM 871 NE2 GLN A 108 21.710 19.160 17.088 1.00 0.00 N
873
+ ATOM 872 OE1 GLN A 108 22.907 19.144 18.992 1.00 0.00 O
874
+ ATOM 873 N TYR A 109 20.852 22.605 22.933 1.00 0.00 N
875
+ ATOM 874 CA TYR A 109 21.231 22.902 24.310 1.00 0.00 C
876
+ ATOM 875 C TYR A 109 21.319 21.627 25.139 1.00 0.00 C
877
+ ATOM 876 CB TYR A 109 20.229 23.870 24.946 1.00 0.00 C
878
+ ATOM 877 O TYR A 109 20.300 20.989 25.419 1.00 0.00 O
879
+ ATOM 878 CG TYR A 109 20.657 24.386 26.298 1.00 0.00 C
880
+ ATOM 879 CD1 TYR A 109 21.583 25.421 26.409 1.00 0.00 C
881
+ ATOM 880 CD2 TYR A 109 20.139 23.840 27.468 1.00 0.00 C
882
+ ATOM 881 CE1 TYR A 109 21.982 25.898 27.653 1.00 0.00 C
883
+ ATOM 882 CE2 TYR A 109 20.531 24.309 28.717 1.00 0.00 C
884
+ ATOM 883 OH TYR A 109 21.845 25.806 30.033 1.00 0.00 O
885
+ ATOM 884 CZ TYR A 109 21.453 25.337 28.799 1.00 0.00 C
886
+ ATOM 885 N ASN A 110 22.490 21.260 25.554 1.00 0.00 N
887
+ ATOM 886 CA ASN A 110 22.680 20.033 26.320 1.00 0.00 C
888
+ ATOM 887 C ASN A 110 21.995 20.111 27.682 1.00 0.00 C
889
+ ATOM 888 CB ASN A 110 24.171 19.732 26.493 1.00 0.00 C
890
+ ATOM 889 O ASN A 110 22.007 21.160 28.329 1.00 0.00 O
891
+ ATOM 890 CG ASN A 110 24.834 19.308 25.197 1.00 0.00 C
892
+ ATOM 891 ND2 ASN A 110 26.121 19.606 25.066 1.00 0.00 N
893
+ ATOM 892 OD1 ASN A 110 24.195 18.720 24.321 1.00 0.00 O
894
+ ATOM 893 N HIS A 111 21.387 19.021 28.088 1.00 0.00 N
895
+ ATOM 894 CA HIS A 111 20.747 18.984 29.398 1.00 0.00 C
896
+ ATOM 895 C HIS A 111 21.752 19.259 30.511 1.00 0.00 C
897
+ ATOM 896 CB HIS A 111 20.069 17.631 29.624 1.00 0.00 C
898
+ ATOM 897 O HIS A 111 22.685 18.479 30.716 1.00 0.00 O
899
+ ATOM 898 CG HIS A 111 18.967 17.342 28.654 1.00 0.00 C
900
+ ATOM 899 CD2 HIS A 111 18.637 16.206 27.996 1.00 0.00 C
901
+ ATOM 900 ND1 HIS A 111 18.053 18.295 28.261 1.00 0.00 N
902
+ ATOM 901 CE1 HIS A 111 17.205 17.755 27.402 1.00 0.00 C
903
+ ATOM 902 NE2 HIS A 111 17.538 16.488 27.224 1.00 0.00 N
904
+ ATOM 903 N ARG A 112 21.557 20.317 31.250 1.00 0.00 N
905
+ ATOM 904 CA ARG A 112 22.323 20.548 32.470 1.00 0.00 C
906
+ ATOM 905 C ARG A 112 21.593 19.995 33.689 1.00 0.00 C
907
+ ATOM 906 CB ARG A 112 22.596 22.043 32.657 1.00 0.00 C
908
+ ATOM 907 O ARG A 112 22.222 19.635 34.685 1.00 0.00 O
909
+ ATOM 908 CG ARG A 112 23.447 22.656 31.556 1.00 0.00 C
910
+ ATOM 909 CD ARG A 112 23.640 24.152 31.760 1.00 0.00 C
911
+ ATOM 910 NE ARG A 112 24.279 24.775 30.605 1.00 0.00 N
912
+ ATOM 911 NH1 ARG A 112 24.050 26.938 31.385 1.00 0.00 N
913
+ ATOM 912 NH2 ARG A 112 25.051 26.545 29.360 1.00 0.00 N
914
+ ATOM 913 CZ ARG A 112 24.458 26.085 30.452 1.00 0.00 C
915
+ ATOM 914 N VAL A 113 20.285 20.000 33.565 1.00 0.00 N
916
+ ATOM 915 CA VAL A 113 19.439 19.263 34.499 1.00 0.00 C
917
+ ATOM 916 C VAL A 113 19.034 17.926 33.885 1.00 0.00 C
918
+ ATOM 917 CB VAL A 113 18.183 20.074 34.889 1.00 0.00 C
919
+ ATOM 918 O VAL A 113 18.285 17.887 32.906 1.00 0.00 O
920
+ ATOM 919 CG1 VAL A 113 17.268 19.251 35.794 1.00 0.00 C
921
+ ATOM 920 CG2 VAL A 113 18.583 21.381 35.573 1.00 0.00 C
922
+ ATOM 921 N LYS A 114 19.485 16.866 34.528 1.00 0.00 N
923
+ ATOM 922 CA LYS A 114 19.402 15.554 33.894 1.00 0.00 C
924
+ ATOM 923 C LYS A 114 18.087 14.860 34.235 1.00 0.00 C
925
+ ATOM 924 CB LYS A 114 20.581 14.677 34.317 1.00 0.00 C
926
+ ATOM 925 O LYS A 114 17.623 13.994 33.491 1.00 0.00 O
927
+ ATOM 926 CG LYS A 114 21.940 15.226 33.905 1.00 0.00 C
928
+ ATOM 927 CD LYS A 114 22.085 15.280 32.390 1.00 0.00 C
929
+ ATOM 928 CE LYS A 114 23.488 15.704 31.976 1.00 0.00 C
930
+ ATOM 929 NZ LYS A 114 23.606 15.859 30.496 1.00 0.00 N
931
+ ATOM 930 N LYS A 115 17.565 15.274 35.338 1.00 0.00 N
932
+ ATOM 931 CA LYS A 115 16.286 14.671 35.700 1.00 0.00 C
933
+ ATOM 932 C LYS A 115 15.135 15.329 34.944 1.00 0.00 C
934
+ ATOM 933 CB LYS A 115 16.050 14.775 37.207 1.00 0.00 C
935
+ ATOM 934 O LYS A 115 14.387 16.126 35.513 1.00 0.00 O
936
+ ATOM 935 CG LYS A 115 16.979 13.905 38.040 1.00 0.00 C
937
+ ATOM 936 CD LYS A 115 16.635 13.979 39.523 1.00 0.00 C
938
+ ATOM 937 CE LYS A 115 17.594 13.146 40.362 1.00 0.00 C
939
+ ATOM 938 NZ LYS A 115 17.315 13.285 41.823 1.00 0.00 N
940
+ ATOM 939 N LEU A 116 14.930 14.834 33.734 1.00 0.00 N
941
+ ATOM 940 CA LEU A 116 14.032 15.477 32.780 1.00 0.00 C
942
+ ATOM 941 C LEU A 116 12.578 15.318 33.211 1.00 0.00 C
943
+ ATOM 942 CB LEU A 116 14.228 14.889 31.381 1.00 0.00 C
944
+ ATOM 943 O LEU A 116 11.745 16.185 32.932 1.00 0.00 O
945
+ ATOM 944 CG LEU A 116 15.587 15.141 30.724 1.00 0.00 C
946
+ ATOM 945 CD1 LEU A 116 15.625 14.523 29.330 1.00 0.00 C
947
+ ATOM 946 CD2 LEU A 116 15.880 16.637 30.658 1.00 0.00 C
948
+ ATOM 947 N ASN A 117 12.352 14.284 33.930 1.00 0.00 N
949
+ ATOM 948 CA ASN A 117 10.988 14.002 34.365 1.00 0.00 C
950
+ ATOM 949 C ASN A 117 10.532 14.974 35.450 1.00 0.00 C
951
+ ATOM 950 CB ASN A 117 10.871 12.559 34.862 1.00 0.00 C
952
+ ATOM 951 O ASN A 117 9.366 14.966 35.846 1.00 0.00 O
953
+ ATOM 952 CG ASN A 117 11.750 12.283 36.066 1.00 0.00 C
954
+ ATOM 953 ND2 ASN A 117 11.306 11.377 36.929 1.00 0.00 N
955
+ ATOM 954 OD1 ASN A 117 12.820 12.878 36.218 1.00 0.00 O
956
+ ATOM 955 N GLU A 118 11.397 15.804 35.942 1.00 0.00 N
957
+ ATOM 956 CA GLU A 118 11.048 16.797 36.954 1.00 0.00 C
958
+ ATOM 957 C GLU A 118 10.737 18.148 36.316 1.00 0.00 C
959
+ ATOM 958 CB GLU A 118 12.179 16.945 37.974 1.00 0.00 C
960
+ ATOM 959 O GLU A 118 10.328 19.086 37.003 1.00 0.00 O
961
+ ATOM 960 CG GLU A 118 12.385 15.715 38.845 1.00 0.00 C
962
+ ATOM 961 CD GLU A 118 13.475 15.895 39.890 1.00 0.00 C
963
+ ATOM 962 OE1 GLU A 118 14.117 16.970 39.918 1.00 0.00 O
964
+ ATOM 963 OE2 GLU A 118 13.690 14.954 40.686 1.00 0.00 O
965
+ ATOM 964 N ILE A 119 11.020 18.261 35.049 1.00 0.00 N
966
+ ATOM 965 CA ILE A 119 10.668 19.483 34.334 1.00 0.00 C
967
+ ATOM 966 C ILE A 119 9.174 19.481 34.015 1.00 0.00 C
968
+ ATOM 967 CB ILE A 119 11.492 19.638 33.036 1.00 0.00 C
969
+ ATOM 968 O ILE A 119 8.741 18.862 33.041 1.00 0.00 O
970
+ ATOM 969 CG1 ILE A 119 12.992 19.573 33.346 1.00 0.00 C
971
+ ATOM 970 CG2 ILE A 119 11.136 20.945 32.322 1.00 0.00 C
972
+ ATOM 971 CD1 ILE A 119 13.873 19.417 32.114 1.00 0.00 C
973
+ ATOM 972 N SER A 120 8.380 20.168 34.762 1.00 0.00 N
974
+ ATOM 973 CA SER A 120 6.941 19.926 34.766 1.00 0.00 C
975
+ ATOM 974 C SER A 120 6.182 21.094 34.145 1.00 0.00 C
976
+ ATOM 975 CB SER A 120 6.440 19.683 36.191 1.00 0.00 C
977
+ ATOM 976 O SER A 120 4.957 21.048 34.018 1.00 0.00 O
978
+ ATOM 977 OG SER A 120 6.754 20.783 37.029 1.00 0.00 O
979
+ ATOM 978 N LYS A 121 6.831 22.134 33.731 1.00 0.00 N
980
+ ATOM 979 CA LYS A 121 6.126 23.264 33.134 1.00 0.00 C
981
+ ATOM 980 C LYS A 121 7.027 24.026 32.167 1.00 0.00 C
982
+ ATOM 981 CB LYS A 121 5.608 24.208 34.221 1.00 0.00 C
983
+ ATOM 982 O LYS A 121 8.249 24.037 32.327 1.00 0.00 O
984
+ ATOM 983 CG LYS A 121 6.705 24.872 35.039 1.00 0.00 C
985
+ ATOM 984 CD LYS A 121 6.128 25.760 36.133 1.00 0.00 C
986
+ ATOM 985 CE LYS A 121 7.225 26.413 36.962 1.00 0.00 C
987
+ ATOM 986 NZ LYS A 121 6.664 27.306 38.019 1.00 0.00 N
988
+ ATOM 987 N LEU A 122 6.435 24.568 31.165 1.00 0.00 N
989
+ ATOM 988 CA LEU A 122 7.065 25.496 30.233 1.00 0.00 C
990
+ ATOM 989 C LEU A 122 6.451 26.887 30.352 1.00 0.00 C
991
+ ATOM 990 CB LEU A 122 6.929 24.987 28.796 1.00 0.00 C
992
+ ATOM 991 O LEU A 122 5.286 27.088 29.998 1.00 0.00 O
993
+ ATOM 992 CG LEU A 122 7.379 25.944 27.692 1.00 0.00 C
994
+ ATOM 993 CD1 LEU A 122 8.870 26.241 27.823 1.00 0.00 C
995
+ ATOM 994 CD2 LEU A 122 7.064 25.363 26.318 1.00 0.00 C
996
+ ATOM 995 N GLY A 123 7.200 27.823 30.983 1.00 0.00 N
997
+ ATOM 996 CA GLY A 123 6.800 29.222 31.002 1.00 0.00 C
998
+ ATOM 997 C GLY A 123 7.094 29.944 29.702 1.00 0.00 C
999
+ ATOM 998 O GLY A 123 8.211 29.875 29.186 1.00 0.00 O
1000
+ ATOM 999 N ILE A 124 6.134 30.614 29.131 1.00 0.00 N
1001
+ ATOM 1000 CA ILE A 124 6.248 31.410 27.914 1.00 0.00 C
1002
+ ATOM 1001 C ILE A 124 5.928 32.871 28.220 1.00 0.00 C
1003
+ ATOM 1002 CB ILE A 124 5.314 30.878 26.803 1.00 0.00 C
1004
+ ATOM 1003 O ILE A 124 4.850 33.183 28.731 1.00 0.00 O
1005
+ ATOM 1004 CG1 ILE A 124 5.557 29.383 26.571 1.00 0.00 C
1006
+ ATOM 1005 CG2 ILE A 124 5.510 31.672 25.507 1.00 0.00 C
1007
+ ATOM 1006 CD1 ILE A 124 4.439 28.685 25.809 1.00 0.00 C
1008
+ ATOM 1007 N SER A 125 6.874 33.769 27.977 1.00 0.00 N
1009
+ ATOM 1008 CA SER A 125 6.669 35.177 28.303 1.00 0.00 C
1010
+ ATOM 1009 C SER A 125 7.386 36.083 27.308 1.00 0.00 C
1011
+ ATOM 1010 CB SER A 125 7.156 35.477 29.721 1.00 0.00 C
1012
+ ATOM 1011 O SER A 125 8.157 35.609 26.472 1.00 0.00 O
1013
+ ATOM 1012 OG SER A 125 8.554 35.272 29.827 1.00 0.00 O
1014
+ ATOM 1013 N GLY A 126 7.144 37.294 27.392 1.00 0.00 N
1015
+ ATOM 1014 CA GLY A 126 7.776 38.298 26.551 1.00 0.00 C
1016
+ ATOM 1015 C GLY A 126 6.807 38.972 25.597 1.00 0.00 C
1017
+ ATOM 1016 O GLY A 126 5.594 38.947 25.815 1.00 0.00 O
1018
+ ATOM 1017 N ASP A 127 7.311 39.619 24.704 1.00 0.00 N
1019
+ ATOM 1018 CA ASP A 127 6.599 40.539 23.821 1.00 0.00 C
1020
+ ATOM 1019 C ASP A 127 6.049 39.810 22.597 1.00 0.00 C
1021
+ ATOM 1020 CB ASP A 127 7.516 41.682 23.384 1.00 0.00 C
1022
+ ATOM 1021 O ASP A 127 6.444 40.099 21.466 1.00 0.00 O
1023
+ ATOM 1022 CG ASP A 127 8.089 42.464 24.554 1.00 0.00 C
1024
+ ATOM 1023 OD1 ASP A 127 7.319 42.877 25.446 1.00 0.00 O
1025
+ ATOM 1024 OD2 ASP A 127 9.322 42.670 24.581 1.00 0.00 O
1026
+ ATOM 1025 N ILE A 128 5.011 38.953 22.829 1.00 0.00 N
1027
+ ATOM 1026 CA ILE A 128 4.429 38.159 21.751 1.00 0.00 C
1028
+ ATOM 1027 C ILE A 128 2.917 38.063 21.938 1.00 0.00 C
1029
+ ATOM 1028 CB ILE A 128 5.052 36.746 21.692 1.00 0.00 C
1030
+ ATOM 1029 O ILE A 128 2.411 38.230 23.051 1.00 0.00 O
1031
+ ATOM 1030 CG1 ILE A 128 4.778 35.986 22.994 1.00 0.00 C
1032
+ ATOM 1031 CG2 ILE A 128 6.556 36.830 21.413 1.00 0.00 C
1033
+ ATOM 1032 CD1 ILE A 128 5.180 34.518 22.952 1.00 0.00 C
1034
+ ATOM 1033 N ASP A 129 2.218 37.828 20.936 1.00 0.00 N
1035
+ ATOM 1034 CA ASP A 129 0.855 37.304 20.900 1.00 0.00 C
1036
+ ATOM 1035 C ASP A 129 0.852 35.799 20.648 1.00 0.00 C
1037
+ ATOM 1036 CB ASP A 129 0.035 38.019 19.824 1.00 0.00 C
1038
+ ATOM 1037 O ASP A 129 1.174 35.347 19.548 1.00 0.00 O
1039
+ ATOM 1038 CG ASP A 129 -0.113 39.508 20.082 1.00 0.00 C
1040
+ ATOM 1039 OD1 ASP A 129 -0.445 39.899 21.223 1.00 0.00 O
1041
+ ATOM 1040 OD2 ASP A 129 0.100 40.298 19.137 1.00 0.00 O
1042
+ ATOM 1041 N LEU A 130 0.574 35.118 21.663 1.00 0.00 N
1043
+ ATOM 1042 CA LEU A 130 0.663 33.662 21.631 1.00 0.00 C
1044
+ ATOM 1043 C LEU A 130 -0.604 33.054 21.039 1.00 0.00 C
1045
+ ATOM 1044 CB LEU A 130 0.900 33.109 23.038 1.00 0.00 C
1046
+ ATOM 1045 O LEU A 130 -1.702 33.265 21.561 1.00 0.00 O
1047
+ ATOM 1046 CG LEU A 130 1.096 31.596 23.147 1.00 0.00 C
1048
+ ATOM 1047 CD1 LEU A 130 2.314 31.159 22.340 1.00 0.00 C
1049
+ ATOM 1048 CD2 LEU A 130 1.238 31.179 24.608 1.00 0.00 C
1050
+ ATOM 1049 N THR A 131 -0.475 32.277 19.986 1.00 0.00 N
1051
+ ATOM 1050 CA THR A 131 -1.598 31.631 19.317 1.00 0.00 C
1052
+ ATOM 1051 C THR A 131 -1.864 30.252 19.916 1.00 0.00 C
1053
+ ATOM 1052 CB THR A 131 -1.343 31.495 17.804 1.00 0.00 C
1054
+ ATOM 1053 O THR A 131 -3.008 29.919 20.233 1.00 0.00 O
1055
+ ATOM 1054 CG2 THR A 131 -2.550 30.889 17.096 1.00 0.00 C
1056
+ ATOM 1055 OG1 THR A 131 -1.081 32.792 17.252 1.00 0.00 O
1057
+ ATOM 1056 N SER A 132 -0.813 29.465 20.024 1.00 0.00 N
1058
+ ATOM 1057 CA SER A 132 -0.956 28.133 20.605 1.00 0.00 C
1059
+ ATOM 1058 C SER A 132 0.363 27.642 21.192 1.00 0.00 C
1060
+ ATOM 1059 CB SER A 132 -1.457 27.141 19.554 1.00 0.00 C
1061
+ ATOM 1060 O SER A 132 1.434 28.113 20.805 1.00 0.00 O
1062
+ ATOM 1061 OG SER A 132 -0.439 26.847 18.614 1.00 0.00 O
1063
+ ATOM 1062 N ALA A 133 0.266 26.773 22.152 1.00 0.00 N
1064
+ ATOM 1063 CA ALA A 133 1.357 26.031 22.779 1.00 0.00 C
1065
+ ATOM 1064 C ALA A 133 0.940 24.596 23.084 1.00 0.00 C
1066
+ ATOM 1065 CB ALA A 133 1.812 26.734 24.056 1.00 0.00 C
1067
+ ATOM 1066 O ALA A 133 -0.016 24.365 23.828 1.00 0.00 O
1068
+ ATOM 1067 N SER A 134 1.683 23.629 22.416 1.00 0.00 N
1069
+ ATOM 1068 CA SER A 134 1.274 22.233 22.546 1.00 0.00 C
1070
+ ATOM 1069 C SER A 134 2.473 21.295 22.455 1.00 0.00 C
1071
+ ATOM 1070 CB SER A 134 0.251 21.871 21.469 1.00 0.00 C
1072
+ ATOM 1071 O SER A 134 3.580 21.724 22.120 1.00 0.00 O
1073
+ ATOM 1072 OG SER A 134 0.827 21.962 20.177 1.00 0.00 O
1074
+ ATOM 1073 N TYR A 135 2.250 20.046 22.842 1.00 0.00 N
1075
+ ATOM 1074 CA TYR A 135 3.307 19.060 22.646 1.00 0.00 C
1076
+ ATOM 1075 C TYR A 135 2.731 17.729 22.177 1.00 0.00 C
1077
+ ATOM 1076 CB TYR A 135 4.100 18.858 23.941 1.00 0.00 C
1078
+ ATOM 1077 O TYR A 135 1.551 17.444 22.394 1.00 0.00 O
1079
+ ATOM 1078 CG TYR A 135 3.259 18.385 25.101 1.00 0.00 C
1080
+ ATOM 1079 CD1 TYR A 135 2.694 19.293 25.994 1.00 0.00 C
1081
+ ATOM 1080 CD2 TYR A 135 3.028 17.030 25.308 1.00 0.00 C
1082
+ ATOM 1081 CE1 TYR A 135 1.920 18.862 27.065 1.00 0.00 C
1083
+ ATOM 1082 CE2 TYR A 135 2.256 16.586 26.376 1.00 0.00 C
1084
+ ATOM 1083 OH TYR A 135 0.941 17.076 28.308 1.00 0.00 O
1085
+ ATOM 1084 CZ TYR A 135 1.706 17.509 27.248 1.00 0.00 C
1086
+ ATOM 1085 N THR A 136 3.545 17.011 21.461 1.00 0.00 N
1087
+ ATOM 1086 CA THR A 136 3.241 15.673 20.966 1.00 0.00 C
1088
+ ATOM 1087 C THR A 136 4.460 14.762 21.086 1.00 0.00 C
1089
+ ATOM 1088 CB THR A 136 2.769 15.712 19.501 1.00 0.00 C
1090
+ ATOM 1089 O THR A 136 5.591 15.242 21.189 1.00 0.00 O
1091
+ ATOM 1090 CG2 THR A 136 3.888 16.178 18.574 1.00 0.00 C
1092
+ ATOM 1091 OG1 THR A 136 2.351 14.400 19.104 1.00 0.00 O
1093
+ ATOM 1092 N MET A 137 4.222 13.414 21.133 1.00 0.00 N
1094
+ ATOM 1093 CA MET A 137 5.304 12.434 21.060 1.00 0.00 C
1095
+ ATOM 1094 C MET A 137 5.581 12.035 19.615 1.00 0.00 C
1096
+ ATOM 1095 CB MET A 137 4.965 11.195 21.889 1.00 0.00 C
1097
+ ATOM 1096 O MET A 137 4.652 11.751 18.857 1.00 0.00 O
1098
+ ATOM 1097 CG MET A 137 4.694 11.493 23.355 1.00 0.00 C
1099
+ ATOM 1098 SD MET A 137 6.134 12.266 24.192 1.00 0.00 S
1100
+ ATOM 1099 CE MET A 137 7.295 10.873 24.186 1.00 0.00 C
1101
+ ATOM 1100 N ILE A 138 6.936 12.064 19.291 1.00 0.00 N
1102
+ ATOM 1101 CA ILE A 138 7.218 11.722 17.902 1.00 0.00 C
1103
+ ATOM 1102 C ILE A 138 8.193 10.547 17.847 1.00 0.00 C
1104
+ ATOM 1103 CB ILE A 138 7.792 12.930 17.127 1.00 0.00 C
1105
+ ATOM 1104 O ILE A 138 8.926 10.296 18.806 1.00 0.00 O
1106
+ ATOM 1105 CG1 ILE A 138 9.114 13.388 17.755 1.00 0.00 C
1107
+ ATOM 1106 CG2 ILE A 138 6.778 14.077 17.089 1.00 0.00 C
1108
+ ATOM 1107 CD1 ILE A 138 9.892 14.380 16.902 1.00 0.00 C
1109
+ ATOM 1108 OXT ILE A 138 7.751 10.327 16.740 1.00 0.00 O
1110
+ TER 1109 ILE A 138
1111
+ END
2nn8/2nn8_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pcp/2pcp_ligand.mol2 ADDED
@@ -0,0 +1,106 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2pcp_ligand
7
+ 44 46 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
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14
+ 2 CA -9.1620 -27.2400 -14.5290 C.ar 1 1PC -0.0018
15
+ 3 CB -9.4430 -27.0060 -15.9010 C.ar 1 1PC -0.0343
16
+ 4 CC -10.7910 -26.7340 -16.3260 C.ar 1 1PC -0.0322
17
+ 5 CD -11.8960 -26.6870 -15.3840 C.ar 1 1PC -0.0340
18
+ 6 CE -11.6170 -26.9260 -14.0510 C.ar 1 1PC -0.0322
19
+ 7 CF -10.2900 -27.1930 -13.6110 C.ar 1 1PC -0.0343
20
+ 8 CG -7.6760 -27.5180 -13.9960 C.3 1 1PC -0.0135
21
+ 9 CH -6.5630 -26.5590 -14.6380 C.3 1 1PC -0.0293
22
+ 10 CI -6.9940 -25.1210 -14.3940 C.3 1 1PC -0.0551
23
+ 11 CJ -6.9050 -24.7740 -12.8920 C.3 1 1PC -0.0541
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25
+ 13 CL -7.4210 -27.2270 -12.4630 C.3 1 1PC -0.0293
26
+ 14 NM -7.2300 -29.0100 -14.1940 N.4 1 1PC 0.1961
27
+ 15 CN -8.2710 -30.0700 -13.7270 C.3 1 1PC -0.0361
28
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29
+ 17 CQ -6.2590 -30.7550 -15.7650 C.3 1 1PC -0.0123
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34
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+ 33 H15 -7.4907 -25.6419 -10.9969 H 1 1PC 0.0260
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50
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51
+ 39 H21 -6.9187 -31.6855 -13.2624 H 1 1PC 0.0317
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+ 40 H22 -8.5883 -32.2033 -13.6761 H 1 1PC 0.0317
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+ 41 H23 -5.9793 -30.9227 -16.8155 H 1 1PC 0.0317
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+ 42 H24 -5.3771 -30.8985 -15.1233 H 1 1PC 0.0317
55
+ 43 H25 -5.9062 -28.6518 -15.8588 H 1 1PC 0.0815
56
+ 44 H26 -7.5661 -29.1610 -16.3192 H 1 1PC 0.0815
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58
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59
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60
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61
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62
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63
+ 6 14 8 1
64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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+ @<TRIPOS>SUBSTRUCTURE
105
+ 1 1PC 1
106
+
2pcp/2pcp_ligand.sdf ADDED
@@ -0,0 +1,96 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2pcp_ligand
2
+ -I-interpret-
3
+
4
+ 44 46 0 0 0 0 0 0 0 0999 V2000
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+ -7.3300 -31.7920 -15.3690 C 0 0 0 0 0
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+ -7.2300 -29.0100 -14.1940 N 0 3 0 0 0
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+ -8.2710 -30.0700 -13.7270 C 0 0 0 0 0
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+ -7.7730 -31.5110 -13.9330 C 0 0 0 0 0
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+ -6.2590 -30.7550 -15.7650 C 0 0 0 0 0
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+ -6.3337 -24.4554 -14.9499 H 0 0 0 0 0
34
+ -7.3009 -23.7708 -12.7343 H 0 0 0 0 0
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+ -5.8628 -24.8230 -12.5764 H 0 0 0 0 0
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+ -8.7880 -25.5867 -12.2422 H 0 0 0 0 0
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+ -6.3644 -27.4063 -12.2644 H 0 0 0 0 0
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+ -8.0825 -27.8762 -11.8894 H 0 0 0 0 0
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64
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66
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+ 18 43 1 0 0 0
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+ 18 44 1 0 0 0
95
+ M END
96
+ $$$$
2pcp/2pcp_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pcp/2pcp_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pqz/2pqz_ligand.mol2 ADDED
@@ -0,0 +1,162 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:57 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2pqz_ligand
7
+ 71 75 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
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