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PDBbind

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linbc20 commited on
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1892b86
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1 Parent(s): 79dbbbd

Add batch 113

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  1. 1bnq/1bnq_ligand.mol2 +101 -0
  2. 1bnq/1bnq_ligand.sdf +91 -0
  3. 1bnq/1bnq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1bnq/1bnq_protein_processed_fix.pdb +0 -0
  5. 1g2k/1g2k_ligand.mol2 +184 -0
  6. 1g2k/1g2k_ligand.sdf +174 -0
  7. 1g2k/1g2k_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1g2k/1g2k_protein_processed_fix.pdb +0 -0
  9. 1g42/1g42_ligand.mol2 +46 -0
  10. 1g42/1g42_ligand.sdf +36 -0
  11. 1g42/1g42_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1g42/1g42_protein_processed_fix.pdb +0 -0
  13. 1w3k/1w3k_ligand.mol2 +103 -0
  14. 1w3k/1w3k_ligand.sdf +93 -0
  15. 1w3k/1w3k_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1w3k/1w3k_protein_processed_fix.pdb +0 -0
  17. 1wbt/1wbt_ligand.mol2 +136 -0
  18. 1wbt/1wbt_ligand.sdf +126 -0
  19. 1wbt/1wbt_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1wbt/1wbt_protein_processed_fix.pdb +0 -0
  21. 1yw7/1yw7_ligand.mol2 +81 -0
  22. 1yw7/1yw7_ligand.sdf +73 -0
  23. 1yw7/1yw7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1yw7/1yw7_protein_processed_fix.pdb +0 -0
  25. 2bok/2bok_ligand.mol2 +145 -0
  26. 2bok/2bok_ligand.sdf +133 -0
  27. 2bok/2bok_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 2bok/2bok_protein_processed_fix.pdb +0 -0
  29. 2fci/2fci_ligand.mol2 +429 -0
  30. 2fci/2fci_ligand.sdf +437 -0
  31. 2fci/2fci_protein_esmfold_aligned_tr_fix.pdb +865 -0
  32. 2fci/2fci_protein_processed_fix.pdb +0 -0
  33. 2fgv/2fgv_ligand.mol2 +220 -0
  34. 2fgv/2fgv_ligand.sdf +210 -0
  35. 2fgv/2fgv_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 2fgv/2fgv_protein_processed_fix.pdb +0 -0
  37. 2g5u/2g5u_ligand.mol2 +65 -0
  38. 2g5u/2g5u_ligand.sdf +55 -0
  39. 2g5u/2g5u_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2g5u/2g5u_protein_processed_fix.pdb +0 -0
  41. 2g79/2g79_ligand.mol2 +114 -0
  42. 2g79/2g79_ligand.sdf +104 -0
  43. 2g79/2g79_protein_esmfold_aligned_tr_fix.pdb +1091 -0
  44. 2g79/2g79_protein_processed_fix.pdb +0 -0
  45. 2hwg/2hwg_ligand.mol2 +27 -0
  46. 2hwg/2hwg_ligand.sdf +21 -0
  47. 2hwg/2hwg_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2hwg/2hwg_protein_processed_fix.pdb +0 -0
  49. 2j34/2j34_ligand.mol2 +123 -0
  50. 2j34/2j34_ligand.sdf +113 -0
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1bnq/1bnq_ligand.sdf ADDED
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+ $$$$
1bnq/1bnq_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1bnq/1bnq_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g2k/1g2k_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1g2k_ligand
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The diff for this file is too large to render. See raw diff
 
1w3k/1w3k_protein_processed_fix.pdb ADDED
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1wbt/1wbt_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1wbt/1wbt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1yw7/1yw7_ligand.mol2 ADDED
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30
+ 18 CG2 10.3730 -1.4700 -15.1390 C.3 1 THR -0.0346
31
+ 19 N 5.9630 -3.1140 -15.1200 N.am 1 GLU -0.2635
32
+ 20 CA 4.4640 -2.9440 -15.2590 C.3 1 GLU 0.1325
33
+ 21 C 3.7160 -4.2910 -15.4670 C.2 1 GLU 0.2040
34
+ 22 O 3.0310 -4.4700 -16.4600 O.2 1 GLU -0.3944
35
+ 23 CB 4.3330 -2.0330 -16.4830 C.3 1 GLU -0.0008
36
+ 24 CG 4.1330 -0.5700 -16.0310 C.3 1 GLU 0.0044
37
+ 25 CD 2.6730 -0.3060 -15.6590 C.2 1 GLU 0.0350
38
+ 26 OE1 1.9890 -1.2390 -15.2780 O.co2 1 GLU -0.5690
39
+ 27 OE2 2.2560 0.8330 -15.7740 O.co2 1 GLU -0.5690
40
+ 28 N 3.8100 -5.2440 -14.5420 N.am 1 VAL -0.2635
41
+ 29 CA 3.0660 -6.5380 -14.7460 C.3 1 VAL 0.1333
42
+ 30 C 3.0600 -7.4860 -13.4910 C.2 1 VAL 0.2044
43
+ 31 O 3.8960 -8.3530 -13.3420 O.2 1 VAL -0.3944
44
+ 32 CB 3.7620 -7.1770 -15.9980 C.3 1 VAL -0.0063
45
+ 33 CG1 4.9860 -8.0270 -15.6240 C.3 1 VAL -0.0584
46
+ 34 CG2 2.7630 -8.0470 -16.7710 C.3 1 VAL -0.0584
47
+ 35 N 2.0620 -7.3790 -12.6140 N.am 1 PTR -0.2607
48
+ 36 CA 1.9700 -8.3530 -11.4490 C.3 1 PTR 0.1468
49
+ 37 C 0.5750 -9.0300 -11.4420 C.2 1 PTR 0.2074
50
+ 38 O -0.1010 -9.0750 -12.4520 O.2 1 PTR -0.3941
51
+ 39 CB 2.1650 -7.6310 -10.0960 C.3 1 PTR 0.0400
52
+ 40 CG 2.6020 -6.1900 -10.1950 C.ar 1 PTR -0.0004
53
+ 41 CD1 3.9590 -5.8680 -10.1800 C.ar 1 PTR -0.0239
54
+ 42 CD2 1.6390 -5.1750 -10.2020 C.ar 1 PTR -0.0239
55
+ 43 CE1 4.3590 -4.5260 -10.1690 C.ar 1 PTR 0.0115
56
+ 44 CE2 2.0370 -3.8370 -10.2080 C.ar 1 PTR 0.0115
57
+ 45 CZ 3.3990 -3.5100 -10.1860 C.ar 1 PTR 0.1728
58
+ 46 OH 3.7860 -2.1780 -10.1670 O.3 1 PTR -0.2040
59
+ 47 P 4.8540 -1.6840 -11.1930 P.3 1 PTR 0.1348
60
+ 48 O1P 5.9200 -0.9830 -10.3100 O.co2 1 PTR -0.6653
61
+ 49 O2P 4.1010 -0.6020 -12.0000 O.co2 1 PTR -0.6653
62
+ 50 O3P 5.3570 -2.9450 -12.0160 O.co2 1 PTR -0.6653
63
+ 51 N 0.1370 -9.5450 -10.2980 N.am 1 GLU -0.2634
64
+ 52 CA -1.2160 -10.2040 -10.2230 C.3 1 GLU 0.1325
65
+ 53 C -1.8300 -10.1050 -8.8000 C.2 1 GLU 0.2041
66
+ 54 O -2.8390 -9.4680 -8.6160 O.2 1 GLU -0.3944
67
+ 55 CB -0.9750 -11.6660 -10.6210 C.3 1 GLU -0.0008
68
+ 56 CG -2.2030 -12.1850 -11.3860 C.3 1 GLU 0.0044
69
+ 57 CD -3.4070 -12.2800 -10.4440 C.2 1 GLU 0.0350
70
+ 58 OE1 -3.2830 -12.9260 -9.4110 O.co2 1 GLU -0.5690
71
+ 59 OE2 -4.4350 -11.7000 -10.7750 O.co2 1 GLU -0.5690
72
+ 60 N -1.2430 -10.7350 -7.7990 N.am 1 SER -0.2616
73
+ 61 CA -1.8370 -10.6680 -6.4130 C.3 1 SER 0.1541
74
+ 62 C -0.9810 -9.7790 -5.4780 C.2 1 SER 0.2087
75
+ 63 O 0.1370 -10.1300 -5.1470 O.2 1 SER -0.3941
76
+ 64 CB -1.8770 -12.1220 -5.9480 C.3 1 SER 0.0843
77
+ 65 OG -3.1120 -12.7020 -6.3610 O.3 1 SER -0.3903
78
+ 66 N -1.5290 -8.6170 -5.1330 N.am 1 PRO -0.2498
79
+ 67 CA -0.8000 -7.6130 -4.2940 C.3 1 PRO 0.1338
80
+ 68 C -0.9150 -7.8590 -2.7580 C.2 1 PRO 0.2043
81
+ 69 O -0.4520 -8.8630 -2.2530 O.2 1 PRO -0.3944
82
+ 70 CB -1.4540 -6.2920 -4.7310 C.3 1 PRO -0.0104
83
+ 71 CG -2.8290 -6.6500 -5.2140 C.3 1 PRO -0.0281
84
+ 72 CD -2.8660 -8.1360 -5.4910 C.3 1 PRO 0.0369
85
+ 73 N -1.4730 -6.9260 -2.0060 N.am 1 PTR -0.2607
86
+ 74 CA -1.5540 -7.0880 -0.5190 C.3 1 PTR 0.1468
87
+ 75 C -2.9820 -7.4260 -0.0790 C.2 1 PTR 0.2074
88
+ 76 O -3.8620 -6.5880 -0.0860 O.2 1 PTR -0.3941
89
+ 77 CB -1.1230 -5.7260 0.0240 C.3 1 PTR 0.0400
90
+ 78 CG 0.3040 -5.8060 0.5040 C.ar 1 PTR -0.0004
91
+ 79 CD1 0.5730 -6.3400 1.7590 C.ar 1 PTR -0.0239
92
+ 80 CD2 1.3510 -5.3330 -0.2920 C.ar 1 PTR -0.0239
93
+ 81 CE1 1.8820 -6.4060 2.2340 C.ar 1 PTR 0.0115
94
+ 82 CE2 2.6700 -5.4030 0.1790 C.ar 1 PTR 0.0115
95
+ 83 CZ 2.9370 -5.9390 1.4450 C.ar 1 PTR 0.1728
96
+ 84 OH 4.2400 -5.9930 1.9130 O.3 1 PTR -0.2040
97
+ 85 P 4.7860 -7.3080 2.5650 P.3 1 PTR 0.1348
98
+ 86 O1P 6.1390 -7.5220 1.8520 O.co2 1 PTR -0.6653
99
+ 87 O2P 3.8170 -8.4350 2.1100 O.co2 1 PTR -0.6653
100
+ 88 O3P 4.8670 -7.0710 4.1360 O.co2 1 PTR -0.6653
101
+ 89 N -3.2120 -8.6610 0.2750 N.am 1 ALA -0.2638
102
+ 90 CA -4.5860 -9.0950 0.6760 C.3 1 ALA 0.1282
103
+ 91 C -4.7630 -9.2720 2.2030 C.2 1 ALA 0.2037
104
+ 92 O -5.8200 -8.9740 2.7330 O.2 1 ALA -0.3944
105
+ 93 CB -4.7550 -10.4370 -0.0390 C.3 1 ALA -0.0244
106
+ 94 N -3.7800 -9.7850 2.9080 N.am 1 ASP -0.2622
107
+ 95 CA -3.9630 -10.0110 4.3850 C.3 1 ASP 0.1425
108
+ 96 C -3.0870 -9.0820 5.2370 C.2 1 ASP 0.2081
109
+ 97 O -2.0500 -8.6250 4.7890 O.2 1 ASP -0.3941
110
+ 98 CB -3.4970 -11.4600 4.6430 C.3 1 ASP 0.0406
111
+ 99 CG -3.9920 -12.4150 3.5560 C.2 1 ASP 0.0393
112
+ 100 OD1 -5.0720 -12.9570 3.7170 O.co2 1 ASP -0.5688
113
+ 101 OD2 -3.2670 -12.6040 2.5910 O.co2 1 ASP -0.5688
114
+ 102 N -3.4880 -8.9060 6.4830 N.am 1 PRO -0.2497
115
+ 103 CA -2.6600 -8.1190 7.4260 C.3 1 PRO 0.1338
116
+ 104 C -1.4220 -8.9820 7.7270 C.2 1 PRO 0.2041
117
+ 105 O -1.4030 -10.1540 7.3920 O.2 1 PRO -0.3944
118
+ 106 CB -3.5650 -7.9400 8.6520 C.3 1 PRO -0.0104
119
+ 107 CG -4.5340 -9.0810 8.5850 C.3 1 PRO -0.0281
120
+ 108 CD -4.7130 -9.4220 7.1230 C.3 1 PRO 0.0369
121
+ 109 N -0.3810 -8.4540 8.3120 N.am 1 GMA -0.2636
122
+ 110 CA 0.8220 -9.3190 8.5580 C.3 1 GMA 0.1321
123
+ 111 C 0.4730 -10.5450 9.4210 C.2 1 GMA 0.1993
124
+ 112 O 0.6360 -11.6720 9.0000 O.2 1 GMA -0.3947
125
+ 113 CB 1.8430 -8.4440 9.2810 C.3 1 GMA -0.0008
126
+ 114 CG 3.0390 -9.3230 9.6900 C.3 1 GMA 0.0044
127
+ 115 CD 3.8900 -9.7030 8.4680 C.2 1 GMA 0.0350
128
+ 116 OE1 5.0610 -9.9720 8.6630 O.co2 1 GMA -0.5690
129
+ 117 OE2 3.3650 -9.7340 7.3610 O.co2 1 GMA -0.5690
130
+ 118 N2 0.0350 -10.3710 10.6340 N.am 1 GMA -0.2990
131
+ 119 H1 7.6803 -8.5466 -11.6493 H 1 ACE 0.0467
132
+ 120 H2 9.1316 -9.5780 -11.4123 H 1 ACE 0.0467
133
+ 121 H3 7.9948 -9.9231 -12.7596 H 1 ACE 0.0467
134
+ 122 H4 8.1457 -6.6269 -12.5682 H 1 ASP 0.1884
135
+ 123 H5 10.7064 -5.9154 -13.7606 H 1 ASP 0.0819
136
+ 124 H6 8.3649 -6.1923 -15.7342 H 1 ASP 0.0478
137
+ 125 H7 9.6254 -7.4555 -15.5294 H 1 ASP 0.0478
138
+ 126 H8 8.9235 -3.9115 -15.5812 H 1 THR 0.1884
139
+ 127 H9 8.3971 -2.0979 -13.2154 H 1 THR 0.0826
140
+ 128 H10 8.6742 -0.2486 -14.7022 H 1 THR 0.0639
141
+ 129 H11 8.7937 -0.5954 -16.9847 H 1 THR 0.2101
142
+ 130 H12 10.8612 -0.7054 -15.7611 H 1 THR 0.0257
143
+ 131 H13 10.5901 -2.4681 -15.5471 H 1 THR 0.0257
144
+ 132 H14 10.7549 -1.4037 -14.1096 H 1 THR 0.0257
145
+ 133 H15 6.4256 -3.9081 -15.5143 H 1 GLU 0.1883
146
+ 134 H16 4.0534 -2.4505 -14.3658 H 1 GLU 0.0801
147
+ 135 H17 3.4676 -2.3507 -17.0831 H 1 GLU 0.0330
148
+ 136 H18 5.2470 -2.1051 -17.0907 H 1 GLU 0.0330
149
+ 137 H19 4.4224 0.1028 -16.8517 H 1 GLU 0.0433
150
+ 138 H20 4.7685 -0.3741 -15.1548 H 1 GLU 0.0433
151
+ 139 H21 4.3666 -5.1028 -13.7233 H 1 VAL 0.1883
152
+ 140 H22 2.0170 -6.3137 -14.9894 H 1 VAL 0.0802
153
+ 141 H23 4.0986 -6.3602 -16.6534 H 1 VAL 0.0343
154
+ 142 H24 5.4324 -8.4485 -16.5367 H 1 VAL 0.0234
155
+ 143 H25 4.6748 -8.8444 -14.9569 H 1 VAL 0.0234
156
+ 144 H26 5.7271 -7.3967 -15.1107 H 1 VAL 0.0234
157
+ 145 H27 1.8840 -7.4436 -17.0417 H 1 VAL 0.0234
158
+ 146 H28 2.4479 -8.8916 -16.1407 H 1 VAL 0.0234
159
+ 147 H29 3.2405 -8.4297 -17.6850 H 1 VAL 0.0234
160
+ 148 H30 1.3753 -6.6601 -12.7216 H 1 PTR 0.1886
161
+ 149 H31 2.7496 -9.1204 -11.5643 H 1 PTR 0.0840
162
+ 150 H32 2.9279 -8.1796 -9.5241 H 1 PTR 0.0584
163
+ 151 H33 1.2086 -7.6602 -9.5535 H 1 PTR 0.0584
164
+ 152 H34 4.7035 -6.6559 -10.1769 H 1 PTR 0.0703
165
+ 153 H35 0.5848 -5.4274 -10.2028 H 1 PTR 0.0703
166
+ 154 H36 5.4133 -4.2750 -10.1473 H 1 PTR 0.0736
167
+ 155 H37 1.2915 -3.0504 -10.2297 H 1 PTR 0.0736
168
+ 156 H38 0.7101 -9.4948 -9.4800 H 1 GLU 0.1883
169
+ 157 H39 -1.9035 -9.7279 -10.9376 H 1 GLU 0.0801
170
+ 158 H40 -0.8196 -12.2735 -9.7173 H 1 GLU 0.0330
171
+ 159 H41 -0.0851 -11.7313 -11.2642 H 1 GLU 0.0330
172
+ 160 H42 -1.9821 -13.1815 -11.7960 H 1 GLU 0.0433
173
+ 161 H43 -2.4382 -11.4939 -12.2088 H 1 GLU 0.0433
174
+ 162 H44 -0.4049 -11.2565 -7.9591 H 1 SER 0.1884
175
+ 163 H45 -2.8565 -10.2570 -6.4549 H 1 SER 0.0823
176
+ 164 H46 -1.7981 -12.1619 -4.8516 H 1 SER 0.0606
177
+ 165 H47 -1.0397 -12.6768 -6.3964 H 1 SER 0.0606
178
+ 166 H48 -3.1773 -12.6642 -7.3080 H 1 SER 0.2097
179
+ 167 H49 0.2683 -7.6126 -4.5559 H 1 PRO 0.0802
180
+ 168 H50 -0.8731 -5.8280 -5.5417 H 1 PRO 0.0313
181
+ 169 H51 -1.5167 -5.5971 -3.8806 H 1 PRO 0.0313
182
+ 170 H52 -3.0551 -6.0946 -6.1361 H 1 PRO 0.0287
183
+ 171 H53 -3.5712 -6.3974 -4.4424 H 1 PRO 0.0287
184
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185
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186
+ 174 H56 -1.8453 -6.1028 -2.4346 H 1 PTR 0.1886
187
+ 175 H57 -0.8703 -7.8784 -0.1757 H 1 PTR 0.0840
188
+ 176 H58 -1.7764 -5.4417 0.8619 H 1 PTR 0.0584
189
+ 177 H59 -1.2001 -4.9721 -0.7733 H 1 PTR 0.0584
190
+ 178 H60 -0.2412 -6.7078 2.3729 H 1 PTR 0.0703
191
+ 179 H61 1.1442 -4.9136 -1.2699 H 1 PTR 0.0703
192
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193
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194
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195
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196
+ 184 H66 -5.7475 -10.8522 0.1903 H 1 ALA 0.0277
197
+ 185 H67 -3.9773 -11.1355 0.3035 H 1 ALA 0.0277
198
+ 186 H68 -4.6618 -10.2882 -1.1249 H 1 ALA 0.0277
199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
+ 204 H86 -0.1940 -11.1621 11.2012 H 1 GMA 0.1815
217
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218
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219
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220
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221
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222
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429
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2fci/2fci_ligand.sdf ADDED
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+ M END
437
+ $$$$
2fci/2fci_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,865 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N GLY A 1 -18.856 3.682 0.643 1.00 0.00 N
3
+ ATOM 2 CA GLY A 1 -17.813 4.644 0.963 1.00 0.00 C
4
+ ATOM 3 C GLY A 1 -17.484 5.573 -0.191 1.00 0.00 C
5
+ ATOM 4 O GLY A 1 -17.640 5.202 -1.356 1.00 0.00 O
6
+ ATOM 5 N SER A 2 -17.714 6.855 -0.120 1.00 0.00 N
7
+ ATOM 6 CA SER A 2 -17.636 7.840 -1.195 1.00 0.00 C
8
+ ATOM 7 C SER A 2 -16.499 7.517 -2.158 1.00 0.00 C
9
+ ATOM 8 CB SER A 2 -17.447 9.245 -0.622 1.00 0.00 C
10
+ ATOM 9 O SER A 2 -15.364 7.287 -1.732 1.00 0.00 O
11
+ ATOM 10 OG SER A 2 -18.592 9.648 0.112 1.00 0.00 O
12
+ ATOM 11 N PRO A 3 -16.700 6.912 -3.346 1.00 0.00 N
13
+ ATOM 12 CA PRO A 3 -15.603 6.895 -4.317 1.00 0.00 C
14
+ ATOM 13 C PRO A 3 -14.740 8.152 -4.254 1.00 0.00 C
15
+ ATOM 14 CB PRO A 3 -16.327 6.797 -5.663 1.00 0.00 C
16
+ ATOM 15 O PRO A 3 -15.254 9.249 -4.022 1.00 0.00 O
17
+ ATOM 16 CG PRO A 3 -17.777 6.713 -5.312 1.00 0.00 C
18
+ ATOM 17 CD PRO A 3 -17.923 6.927 -3.833 1.00 0.00 C
19
+ ATOM 18 N GLY A 4 -13.544 7.902 -3.951 1.00 0.00 N
20
+ ATOM 19 CA GLY A 4 -12.553 8.951 -4.137 1.00 0.00 C
21
+ ATOM 20 C GLY A 4 -11.924 9.416 -2.837 1.00 0.00 C
22
+ ATOM 21 O GLY A 4 -11.085 10.319 -2.836 1.00 0.00 O
23
+ ATOM 22 N ILE A 5 -12.472 9.034 -1.605 1.00 0.00 N
24
+ ATOM 23 CA ILE A 5 -11.933 9.509 -0.335 1.00 0.00 C
25
+ ATOM 24 C ILE A 5 -10.435 9.224 -0.272 1.00 0.00 C
26
+ ATOM 25 CB ILE A 5 -12.655 8.856 0.864 1.00 0.00 C
27
+ ATOM 26 O ILE A 5 -9.670 10.014 0.286 1.00 0.00 O
28
+ ATOM 27 CG1 ILE A 5 -14.104 9.349 0.949 1.00 0.00 C
29
+ ATOM 28 CG2 ILE A 5 -11.903 9.141 2.168 1.00 0.00 C
30
+ ATOM 29 CD1 ILE A 5 -14.956 8.599 1.964 1.00 0.00 C
31
+ ATOM 30 N HIS A 6 -10.030 8.184 -0.830 1.00 0.00 N
32
+ ATOM 31 CA HIS A 6 -8.617 7.825 -0.763 1.00 0.00 C
33
+ ATOM 32 C HIS A 6 -7.756 8.836 -1.512 1.00 0.00 C
34
+ ATOM 33 CB HIS A 6 -8.393 6.422 -1.328 1.00 0.00 C
35
+ ATOM 34 O HIS A 6 -6.547 8.919 -1.282 1.00 0.00 O
36
+ ATOM 35 CG HIS A 6 -8.877 6.257 -2.733 1.00 0.00 C
37
+ ATOM 36 CD2 HIS A 6 -8.229 6.378 -3.916 1.00 0.00 C
38
+ ATOM 37 ND1 HIS A 6 -10.180 5.930 -3.037 1.00 0.00 N
39
+ ATOM 38 CE1 HIS A 6 -10.314 5.855 -4.352 1.00 0.00 C
40
+ ATOM 39 NE2 HIS A 6 -9.145 6.122 -4.908 1.00 0.00 N
41
+ ATOM 40 N GLU A 7 -8.382 9.579 -2.446 1.00 0.00 N
42
+ ATOM 41 CA GLU A 7 -7.615 10.493 -3.289 1.00 0.00 C
43
+ ATOM 42 C GLU A 7 -6.981 11.607 -2.460 1.00 0.00 C
44
+ ATOM 43 CB GLU A 7 -8.504 11.090 -4.382 1.00 0.00 C
45
+ ATOM 44 O GLU A 7 -6.015 12.237 -2.895 1.00 0.00 O
46
+ ATOM 45 CG GLU A 7 -8.968 10.078 -5.419 1.00 0.00 C
47
+ ATOM 46 CD GLU A 7 -9.840 10.688 -6.505 1.00 0.00 C
48
+ ATOM 47 OE1 GLU A 7 -10.055 11.922 -6.489 1.00 0.00 O
49
+ ATOM 48 OE2 GLU A 7 -10.312 9.927 -7.378 1.00 0.00 O
50
+ ATOM 49 N SER A 8 -7.492 11.822 -1.275 1.00 0.00 N
51
+ ATOM 50 CA SER A 8 -6.926 12.866 -0.427 1.00 0.00 C
52
+ ATOM 51 C SER A 8 -5.887 12.297 0.532 1.00 0.00 C
53
+ ATOM 52 CB SER A 8 -8.029 13.572 0.363 1.00 0.00 C
54
+ ATOM 53 O SER A 8 -5.258 13.040 1.287 1.00 0.00 O
55
+ ATOM 54 OG SER A 8 -8.594 12.699 1.328 1.00 0.00 O
56
+ ATOM 55 N LYS A 9 -5.775 10.985 0.467 1.00 0.00 N
57
+ ATOM 56 CA LYS A 9 -4.843 10.367 1.405 1.00 0.00 C
58
+ ATOM 57 C LYS A 9 -3.397 10.612 0.985 1.00 0.00 C
59
+ ATOM 58 CB LYS A 9 -5.110 8.865 1.515 1.00 0.00 C
60
+ ATOM 59 O LYS A 9 -3.078 10.589 -0.206 1.00 0.00 O
61
+ ATOM 60 CG LYS A 9 -6.506 8.519 2.013 1.00 0.00 C
62
+ ATOM 61 CD LYS A 9 -6.714 8.970 3.453 1.00 0.00 C
63
+ ATOM 62 CE LYS A 9 -8.108 8.617 3.955 1.00 0.00 C
64
+ ATOM 63 NZ LYS A 9 -8.367 9.181 5.313 1.00 0.00 N
65
+ ATOM 64 N GLU A 10 -2.543 10.770 2.067 1.00 0.00 N
66
+ ATOM 65 CA GLU A 10 -1.128 11.039 1.824 1.00 0.00 C
67
+ ATOM 66 C GLU A 10 -0.476 9.899 1.047 1.00 0.00 C
68
+ ATOM 67 CB GLU A 10 -0.389 11.265 3.145 1.00 0.00 C
69
+ ATOM 68 O GLU A 10 0.385 10.132 0.197 1.00 0.00 O
70
+ ATOM 69 CG GLU A 10 1.041 11.758 2.974 1.00 0.00 C
71
+ ATOM 70 CD GLU A 10 1.775 11.938 4.293 1.00 0.00 C
72
+ ATOM 71 OE1 GLU A 10 1.147 11.780 5.364 1.00 0.00 O
73
+ ATOM 72 OE2 GLU A 10 2.989 12.239 4.254 1.00 0.00 O
74
+ ATOM 73 N TRP A 11 -0.859 8.751 1.239 1.00 0.00 N
75
+ ATOM 74 CA TRP A 11 -0.242 7.561 0.663 1.00 0.00 C
76
+ ATOM 75 C TRP A 11 -0.756 7.310 -0.750 1.00 0.00 C
77
+ ATOM 76 CB TRP A 11 -0.508 6.337 1.543 1.00 0.00 C
78
+ ATOM 77 O TRP A 11 -0.271 6.413 -1.444 1.00 0.00 O
79
+ ATOM 78 CG TRP A 11 -1.931 6.212 1.997 1.00 0.00 C
80
+ ATOM 79 CD1 TRP A 11 -2.448 6.600 3.203 1.00 0.00 C
81
+ ATOM 80 CD2 TRP A 11 -3.020 5.657 1.255 1.00 0.00 C
82
+ ATOM 81 CE2 TRP A 11 -4.170 5.740 2.071 1.00 0.00 C
83
+ ATOM 82 CE3 TRP A 11 -3.136 5.096 -0.024 1.00 0.00 C
84
+ ATOM 83 NE1 TRP A 11 -3.794 6.320 3.253 1.00 0.00 N
85
+ ATOM 84 CH2 TRP A 11 -5.506 4.740 0.394 1.00 0.00 C
86
+ ATOM 85 CZ2 TRP A 11 -5.420 5.284 1.648 1.00 0.00 C
87
+ ATOM 86 CZ3 TRP A 11 -4.381 4.642 -0.443 1.00 0.00 C
88
+ ATOM 87 N TYR A 12 -1.715 7.946 -1.263 1.00 0.00 N
89
+ ATOM 88 CA TYR A 12 -2.290 7.656 -2.571 1.00 0.00 C
90
+ ATOM 89 C TYR A 12 -1.594 8.461 -3.662 1.00 0.00 C
91
+ ATOM 90 CB TYR A 12 -3.791 7.957 -2.578 1.00 0.00 C
92
+ ATOM 91 O TYR A 12 -1.392 9.670 -3.518 1.00 0.00 O
93
+ ATOM 92 CG TYR A 12 -4.448 7.740 -3.919 1.00 0.00 C
94
+ ATOM 93 CD1 TYR A 12 -4.714 6.455 -4.388 1.00 0.00 C
95
+ ATOM 94 CD2 TYR A 12 -4.803 8.819 -4.722 1.00 0.00 C
96
+ ATOM 95 CE1 TYR A 12 -5.317 6.250 -5.623 1.00 0.00 C
97
+ ATOM 96 CE2 TYR A 12 -5.406 8.626 -5.960 1.00 0.00 C
98
+ ATOM 97 OH TYR A 12 -6.257 7.143 -7.627 1.00 0.00 O
99
+ ATOM 98 CZ TYR A 12 -5.660 7.340 -6.401 1.00 0.00 C
100
+ ATOM 99 N HIS A 13 -1.305 7.775 -4.733 1.00 0.00 N
101
+ ATOM 100 CA HIS A 13 -0.714 8.381 -5.922 1.00 0.00 C
102
+ ATOM 101 C HIS A 13 -1.503 8.016 -7.176 1.00 0.00 C
103
+ ATOM 102 CB HIS A 13 0.745 7.947 -6.075 1.00 0.00 C
104
+ ATOM 103 O HIS A 13 -1.625 6.838 -7.516 1.00 0.00 O
105
+ ATOM 104 CG HIS A 13 1.605 8.315 -4.908 1.00 0.00 C
106
+ ATOM 105 CD2 HIS A 13 1.794 7.703 -3.716 1.00 0.00 C
107
+ ATOM 106 ND1 HIS A 13 2.397 9.443 -4.894 1.00 0.00 N
108
+ ATOM 107 CE1 HIS A 13 3.039 9.508 -3.740 1.00 0.00 C
109
+ ATOM 108 NE2 HIS A 13 2.689 8.465 -3.007 1.00 0.00 N
110
+ ATOM 109 N ALA A 14 -2.047 9.029 -7.847 1.00 0.00 N
111
+ ATOM 110 CA ALA A 14 -2.909 8.826 -9.009 1.00 0.00 C
112
+ ATOM 111 C ALA A 14 -2.096 8.403 -10.228 1.00 0.00 C
113
+ ATOM 112 CB ALA A 14 -3.699 10.096 -9.314 1.00 0.00 C
114
+ ATOM 113 O ALA A 14 -2.590 7.672 -11.090 1.00 0.00 O
115
+ ATOM 114 N SER A 15 -0.997 8.894 -10.383 1.00 0.00 N
116
+ ATOM 115 CA SER A 15 -0.145 8.621 -11.536 1.00 0.00 C
117
+ ATOM 116 C SER A 15 1.293 8.347 -11.107 1.00 0.00 C
118
+ ATOM 117 CB SER A 15 -0.179 9.794 -12.516 1.00 0.00 C
119
+ ATOM 118 O SER A 15 2.081 9.278 -10.928 1.00 0.00 O
120
+ ATOM 119 OG SER A 15 -1.506 10.064 -12.933 1.00 0.00 O
121
+ ATOM 120 N LEU A 16 1.430 7.117 -10.757 1.00 0.00 N
122
+ ATOM 121 CA LEU A 16 2.759 6.668 -10.358 1.00 0.00 C
123
+ ATOM 122 C LEU A 16 3.055 5.280 -10.916 1.00 0.00 C
124
+ ATOM 123 CB LEU A 16 2.888 6.657 -8.833 1.00 0.00 C
125
+ ATOM 124 O LEU A 16 2.304 4.333 -10.666 1.00 0.00 O
126
+ ATOM 125 CG LEU A 16 4.309 6.604 -8.272 1.00 0.00 C
127
+ ATOM 126 CD1 LEU A 16 5.000 7.952 -8.452 1.00 0.00 C
128
+ ATOM 127 CD2 LEU A 16 4.290 6.200 -6.802 1.00 0.00 C
129
+ ATOM 128 N THR A 17 4.181 5.133 -11.706 1.00 0.00 N
130
+ ATOM 129 CA THR A 17 4.564 3.822 -12.219 1.00 0.00 C
131
+ ATOM 130 C THR A 17 5.219 2.984 -11.124 1.00 0.00 C
132
+ ATOM 131 CB THR A 17 5.524 3.949 -13.416 1.00 0.00 C
133
+ ATOM 132 O THR A 17 5.611 3.512 -10.081 1.00 0.00 O
134
+ ATOM 133 CG2 THR A 17 4.959 4.889 -14.476 1.00 0.00 C
135
+ ATOM 134 OG1 THR A 17 6.782 4.462 -12.960 1.00 0.00 O
136
+ ATOM 135 N ARG A 18 5.298 1.706 -11.407 1.00 0.00 N
137
+ ATOM 136 CA ARG A 18 5.998 0.801 -10.501 1.00 0.00 C
138
+ ATOM 137 C ARG A 18 7.429 1.271 -10.255 1.00 0.00 C
139
+ ATOM 138 CB ARG A 18 6.003 -0.623 -11.060 1.00 0.00 C
140
+ ATOM 139 O ARG A 18 7.897 1.281 -9.115 1.00 0.00 O
141
+ ATOM 140 CG ARG A 18 6.682 -1.638 -10.154 1.00 0.00 C
142
+ ATOM 141 CD ARG A 18 6.676 -3.032 -10.765 1.00 0.00 C
143
+ ATOM 142 NE ARG A 18 7.347 -4.001 -9.905 1.00 0.00 N
144
+ ATOM 143 NH1 ARG A 18 5.401 -4.860 -9.005 1.00 0.00 N
145
+ ATOM 144 NH2 ARG A 18 7.436 -5.688 -8.348 1.00 0.00 N
146
+ ATOM 145 CZ ARG A 18 6.726 -4.848 -9.087 1.00 0.00 C
147
+ ATOM 146 N ALA A 19 8.110 1.659 -11.314 1.00 0.00 N
148
+ ATOM 147 CA ALA A 19 9.493 2.113 -11.211 1.00 0.00 C
149
+ ATOM 148 C ALA A 19 9.594 3.378 -10.363 1.00 0.00 C
150
+ ATOM 149 CB ALA A 19 10.078 2.359 -12.600 1.00 0.00 C
151
+ ATOM 150 O ALA A 19 10.507 3.514 -9.545 1.00 0.00 O
152
+ ATOM 151 N GLN A 20 8.680 4.345 -10.550 1.00 0.00 N
153
+ ATOM 152 CA GLN A 20 8.660 5.569 -9.755 1.00 0.00 C
154
+ ATOM 153 C GLN A 20 8.392 5.264 -8.284 1.00 0.00 C
155
+ ATOM 154 CB GLN A 20 7.608 6.540 -10.290 1.00 0.00 C
156
+ ATOM 155 O GLN A 20 8.982 5.886 -7.398 1.00 0.00 O
157
+ ATOM 156 CG GLN A 20 7.966 7.155 -11.636 1.00 0.00 C
158
+ ATOM 157 CD GLN A 20 6.821 7.941 -12.247 1.00 0.00 C
159
+ ATOM 158 NE2 GLN A 20 7.139 9.085 -12.843 1.00 0.00 N
160
+ ATOM 159 OE1 GLN A 20 5.660 7.523 -12.183 1.00 0.00 O
161
+ ATOM 160 N ALA A 21 7.487 4.295 -8.099 1.00 0.00 N
162
+ ATOM 161 CA ALA A 21 7.215 3.890 -6.723 1.00 0.00 C
163
+ ATOM 162 C ALA A 21 8.462 3.304 -6.067 1.00 0.00 C
164
+ ATOM 163 CB ALA A 21 6.071 2.878 -6.681 1.00 0.00 C
165
+ ATOM 164 O ALA A 21 8.770 3.617 -4.914 1.00 0.00 O
166
+ ATOM 165 N GLU A 22 9.175 2.468 -6.760 1.00 0.00 N
167
+ ATOM 166 CA GLU A 22 10.403 1.880 -6.234 1.00 0.00 C
168
+ ATOM 167 C GLU A 22 11.441 2.954 -5.923 1.00 0.00 C
169
+ ATOM 168 CB GLU A 22 10.977 0.860 -7.220 1.00 0.00 C
170
+ ATOM 169 O GLU A 22 12.104 2.903 -4.886 1.00 0.00 O
171
+ ATOM 170 CG GLU A 22 10.159 -0.417 -7.331 1.00 0.00 C
172
+ ATOM 171 CD GLU A 22 10.690 -1.381 -8.381 1.00 0.00 C
173
+ ATOM 172 OE1 GLU A 22 11.744 -1.092 -8.992 1.00 0.00 O
174
+ ATOM 173 OE2 GLU A 22 10.047 -2.433 -8.593 1.00 0.00 O
175
+ ATOM 174 N HIS A 23 11.543 3.944 -6.812 1.00 0.00 N
176
+ ATOM 175 CA HIS A 23 12.486 5.031 -6.576 1.00 0.00 C
177
+ ATOM 176 C HIS A 23 12.137 5.796 -5.303 1.00 0.00 C
178
+ ATOM 177 CB HIS A 23 12.514 5.985 -7.771 1.00 0.00 C
179
+ ATOM 178 O HIS A 23 13.022 6.126 -4.511 1.00 0.00 O
180
+ ATOM 179 CG HIS A 23 13.388 5.518 -8.892 1.00 0.00 C
181
+ ATOM 180 CD2 HIS A 23 13.084 5.125 -10.151 1.00 0.00 C
182
+ ATOM 181 ND1 HIS A 23 14.758 5.412 -8.773 1.00 0.00 N
183
+ ATOM 182 CE1 HIS A 23 15.259 4.974 -9.916 1.00 0.00 C
184
+ ATOM 183 NE2 HIS A 23 14.265 4.792 -10.768 1.00 0.00 N
185
+ ATOM 184 N MET A 24 10.918 6.096 -5.091 1.00 0.00 N
186
+ ATOM 185 CA MET A 24 10.486 6.802 -3.889 1.00 0.00 C
187
+ ATOM 186 C MET A 24 10.773 5.975 -2.640 1.00 0.00 C
188
+ ATOM 187 CB MET A 24 8.993 7.132 -3.965 1.00 0.00 C
189
+ ATOM 188 O MET A 24 11.266 6.503 -1.641 1.00 0.00 O
190
+ ATOM 189 CG MET A 24 8.655 8.209 -4.982 1.00 0.00 C
191
+ ATOM 190 SD MET A 24 6.851 8.518 -5.106 1.00 0.00 S
192
+ ATOM 191 CE MET A 24 6.547 9.290 -3.491 1.00 0.00 C
193
+ ATOM 192 N LEU A 25 10.507 4.694 -2.688 1.00 0.00 N
194
+ ATOM 193 CA LEU A 25 10.667 3.827 -1.525 1.00 0.00 C
195
+ ATOM 194 C LEU A 25 12.142 3.588 -1.223 1.00 0.00 C
196
+ ATOM 195 CB LEU A 25 9.956 2.490 -1.752 1.00 0.00 C
197
+ ATOM 196 O LEU A 25 12.516 3.361 -0.070 1.00 0.00 O
198
+ ATOM 197 CG LEU A 25 8.430 2.508 -1.659 1.00 0.00 C
199
+ ATOM 198 CD1 LEU A 25 7.847 1.230 -2.255 1.00 0.00 C
200
+ ATOM 199 CD2 LEU A 25 7.983 2.682 -0.212 1.00 0.00 C
201
+ ATOM 200 N MET A 26 13.009 3.665 -2.229 1.00 0.00 N
202
+ ATOM 201 CA MET A 26 14.446 3.503 -2.021 1.00 0.00 C
203
+ ATOM 202 C MET A 26 15.024 4.695 -1.265 1.00 0.00 C
204
+ ATOM 203 CB MET A 26 15.167 3.332 -3.358 1.00 0.00 C
205
+ ATOM 204 O MET A 26 16.010 4.558 -0.540 1.00 0.00 O
206
+ ATOM 205 CG MET A 26 15.061 1.930 -3.937 1.00 0.00 C
207
+ ATOM 206 SD MET A 26 16.111 1.702 -5.424 1.00 0.00 S
208
+ ATOM 207 CE MET A 26 15.235 2.771 -6.600 1.00 0.00 C
209
+ ATOM 208 N ARG A 27 14.331 5.798 -1.409 1.00 0.00 N
210
+ ATOM 209 CA ARG A 27 14.810 7.023 -0.777 1.00 0.00 C
211
+ ATOM 210 C ARG A 27 14.426 7.065 0.698 1.00 0.00 C
212
+ ATOM 211 CB ARG A 27 14.256 8.253 -1.498 1.00 0.00 C
213
+ ATOM 212 O ARG A 27 14.945 7.886 1.457 1.00 0.00 O
214
+ ATOM 213 CG ARG A 27 14.849 8.476 -2.881 1.00 0.00 C
215
+ ATOM 214 CD ARG A 27 14.305 9.741 -3.530 1.00 0.00 C
216
+ ATOM 215 NE ARG A 27 14.809 9.908 -4.890 1.00 0.00 N
217
+ ATOM 216 NH1 ARG A 27 13.198 11.441 -5.519 1.00 0.00 N
218
+ ATOM 217 NH2 ARG A 27 14.812 10.787 -7.012 1.00 0.00 N
219
+ ATOM 218 CZ ARG A 27 14.272 10.712 -5.804 1.00 0.00 C
220
+ ATOM 219 N VAL A 28 13.482 6.300 1.048 1.00 0.00 N
221
+ ATOM 220 CA VAL A 28 13.057 6.152 2.435 1.00 0.00 C
222
+ ATOM 221 C VAL A 28 13.284 4.713 2.895 1.00 0.00 C
223
+ ATOM 222 CB VAL A 28 11.573 6.542 2.619 1.00 0.00 C
224
+ ATOM 223 O VAL A 28 12.378 3.880 2.818 1.00 0.00 O
225
+ ATOM 224 CG1 VAL A 28 11.168 6.448 4.089 1.00 0.00 C
226
+ ATOM 225 CG2 VAL A 28 11.321 7.949 2.080 1.00 0.00 C
227
+ ATOM 226 N PRO A 29 14.453 4.376 3.336 1.00 0.00 N
228
+ ATOM 227 CA PRO A 29 14.791 2.990 3.666 1.00 0.00 C
229
+ ATOM 228 C PRO A 29 14.297 2.575 5.049 1.00 0.00 C
230
+ ATOM 229 CB PRO A 29 16.321 2.976 3.606 1.00 0.00 C
231
+ ATOM 230 O PRO A 29 15.103 2.269 5.931 1.00 0.00 O
232
+ ATOM 231 CG PRO A 29 16.733 4.344 4.048 1.00 0.00 C
233
+ ATOM 232 CD PRO A 29 15.695 5.326 3.586 1.00 0.00 C
234
+ ATOM 233 N ARG A 30 13.071 2.618 5.259 1.00 0.00 N
235
+ ATOM 234 CA ARG A 30 12.399 2.202 6.485 1.00 0.00 C
236
+ ATOM 235 C ARG A 30 11.357 1.125 6.200 1.00 0.00 C
237
+ ATOM 236 CB ARG A 30 11.739 3.401 7.170 1.00 0.00 C
238
+ ATOM 237 O ARG A 30 10.469 1.317 5.368 1.00 0.00 O
239
+ ATOM 238 CG ARG A 30 12.727 4.413 7.724 1.00 0.00 C
240
+ ATOM 239 CD ARG A 30 12.029 5.499 8.532 1.00 0.00 C
241
+ ATOM 240 NE ARG A 30 12.955 6.555 8.931 1.00 0.00 N
242
+ ATOM 241 NH1 ARG A 30 11.355 7.849 9.980 1.00 0.00 N
243
+ ATOM 242 NH2 ARG A 30 13.539 8.543 9.921 1.00 0.00 N
244
+ ATOM 243 CZ ARG A 30 12.614 7.647 9.610 1.00 0.00 C
245
+ ATOM 244 N ASP A 31 11.555 0.030 6.860 1.00 0.00 N
246
+ ATOM 245 CA ASP A 31 10.524 -0.999 6.761 1.00 0.00 C
247
+ ATOM 246 C ASP A 31 9.182 -0.485 7.277 1.00 0.00 C
248
+ ATOM 247 CB ASP A 31 10.941 -2.251 7.535 1.00 0.00 C
249
+ ATOM 248 O ASP A 31 9.122 0.168 8.321 1.00 0.00 O
250
+ ATOM 249 CG ASP A 31 12.032 -3.044 6.838 1.00 0.00 C
251
+ ATOM 250 OD1 ASP A 31 12.251 -2.844 5.623 1.00 0.00 O
252
+ ATOM 251 OD2 ASP A 31 12.679 -3.878 7.508 1.00 0.00 O
253
+ ATOM 252 N GLY A 32 8.151 -0.722 6.447 1.00 0.00 N
254
+ ATOM 253 CA GLY A 32 6.823 -0.226 6.772 1.00 0.00 C
255
+ ATOM 254 C GLY A 32 6.415 0.976 5.939 1.00 0.00 C
256
+ ATOM 255 O GLY A 32 5.258 1.399 5.978 1.00 0.00 O
257
+ ATOM 256 N ALA A 33 7.429 1.578 5.260 1.00 0.00 N
258
+ ATOM 257 CA ALA A 33 7.095 2.636 4.310 1.00 0.00 C
259
+ ATOM 258 C ALA A 33 6.226 2.100 3.177 1.00 0.00 C
260
+ ATOM 259 CB ALA A 33 8.366 3.269 3.749 1.00 0.00 C
261
+ ATOM 260 O ALA A 33 6.462 1.001 2.670 1.00 0.00 O
262
+ ATOM 261 N PHE A 34 5.236 2.918 2.812 1.00 0.00 N
263
+ ATOM 262 CA PHE A 34 4.341 2.382 1.794 1.00 0.00 C
264
+ ATOM 263 C PHE A 34 3.650 3.508 1.032 1.00 0.00 C
265
+ ATOM 264 CB PHE A 34 3.296 1.458 2.427 1.00 0.00 C
266
+ ATOM 265 O PHE A 34 3.563 4.634 1.524 1.00 0.00 O
267
+ ATOM 266 CG PHE A 34 2.204 2.192 3.159 1.00 0.00 C
268
+ ATOM 267 CD1 PHE A 34 2.390 2.617 4.468 1.00 0.00 C
269
+ ATOM 268 CD2 PHE A 34 0.990 2.454 2.536 1.00 0.00 C
270
+ ATOM 269 CE1 PHE A 34 1.379 3.296 5.148 1.00 0.00 C
271
+ ATOM 270 CE2 PHE A 34 -0.024 3.131 3.209 1.00 0.00 C
272
+ ATOM 271 CZ PHE A 34 0.173 3.550 4.516 1.00 0.00 C
273
+ ATOM 272 N LEU A 35 3.104 3.203 -0.123 1.00 0.00 N
274
+ ATOM 273 CA LEU A 35 2.211 4.040 -0.916 1.00 0.00 C
275
+ ATOM 274 C LEU A 35 1.246 3.186 -1.731 1.00 0.00 C
276
+ ATOM 275 CB LEU A 35 3.016 4.950 -1.848 1.00 0.00 C
277
+ ATOM 276 O LEU A 35 1.461 1.983 -1.895 1.00 0.00 O
278
+ ATOM 277 CG LEU A 35 3.969 4.254 -2.820 1.00 0.00 C
279
+ ATOM 278 CD1 LEU A 35 3.195 3.681 -4.003 1.00 0.00 C
280
+ ATOM 279 CD2 LEU A 35 5.048 5.220 -3.297 1.00 0.00 C
281
+ ATOM 280 N VAL A 36 0.224 3.782 -2.126 1.00 0.00 N
282
+ ATOM 281 CA VAL A 36 -0.791 3.150 -2.963 1.00 0.00 C
283
+ ATOM 282 C VAL A 36 -0.880 3.875 -4.304 1.00 0.00 C
284
+ ATOM 283 CB VAL A 36 -2.172 3.140 -2.271 1.00 0.00 C
285
+ ATOM 284 O VAL A 36 -1.002 5.101 -4.348 1.00 0.00 O
286
+ ATOM 285 CG1 VAL A 36 -3.222 2.490 -3.170 1.00 0.00 C
287
+ ATOM 286 CG2 VAL A 36 -2.090 2.414 -0.929 1.00 0.00 C
288
+ ATOM 287 N ARG A 37 -0.846 3.133 -5.345 1.00 0.00 N
289
+ ATOM 288 CA ARG A 37 -0.877 3.751 -6.667 1.00 0.00 C
290
+ ATOM 289 C ARG A 37 -1.975 3.140 -7.531 1.00 0.00 C
291
+ ATOM 290 CB ARG A 37 0.479 3.604 -7.361 1.00 0.00 C
292
+ ATOM 291 O ARG A 37 -2.324 1.969 -7.366 1.00 0.00 O
293
+ ATOM 292 CG ARG A 37 0.966 2.169 -7.463 1.00 0.00 C
294
+ ATOM 293 CD ARG A 37 2.392 2.094 -7.994 1.00 0.00 C
295
+ ATOM 294 NE ARG A 37 2.861 0.714 -8.087 1.00 0.00 N
296
+ ATOM 295 NH1 ARG A 37 2.147 0.401 -10.262 1.00 0.00 N
297
+ ATOM 296 NH2 ARG A 37 3.197 -1.300 -9.138 1.00 0.00 N
298
+ ATOM 297 CZ ARG A 37 2.734 -0.058 -9.162 1.00 0.00 C
299
+ ATOM 298 N LYS A 38 -2.429 3.970 -8.393 1.00 0.00 N
300
+ ATOM 299 CA LYS A 38 -3.340 3.484 -9.425 1.00 0.00 C
301
+ ATOM 300 C LYS A 38 -2.579 2.760 -10.533 1.00 0.00 C
302
+ ATOM 301 CB LYS A 38 -4.150 4.639 -10.014 1.00 0.00 C
303
+ ATOM 302 O LYS A 38 -1.552 3.250 -11.009 1.00 0.00 O
304
+ ATOM 303 CG LYS A 38 -5.280 4.198 -10.933 1.00 0.00 C
305
+ ATOM 304 CD LYS A 38 -6.168 5.370 -11.331 1.00 0.00 C
306
+ ATOM 305 CE LYS A 38 -7.333 4.921 -12.201 1.00 0.00 C
307
+ ATOM 306 NZ LYS A 38 -8.325 6.018 -12.410 1.00 0.00 N
308
+ ATOM 307 N ARG A 39 -3.055 1.616 -10.855 1.00 0.00 N
309
+ ATOM 308 CA ARG A 39 -2.456 0.868 -11.956 1.00 0.00 C
310
+ ATOM 309 C ARG A 39 -3.107 1.237 -13.285 1.00 0.00 C
311
+ ATOM 310 CB ARG A 39 -2.576 -0.637 -11.712 1.00 0.00 C
312
+ ATOM 311 O ARG A 39 -4.158 1.879 -13.310 1.00 0.00 O
313
+ ATOM 312 CG ARG A 39 -1.863 -1.118 -10.459 1.00 0.00 C
314
+ ATOM 313 CD ARG A 39 -2.078 -2.606 -10.223 1.00 0.00 C
315
+ ATOM 314 NE ARG A 39 -1.443 -3.414 -11.260 1.00 0.00 N
316
+ ATOM 315 NH1 ARG A 39 -3.091 -5.031 -11.301 1.00 0.00 N
317
+ ATOM 316 NH2 ARG A 39 -1.277 -5.202 -12.691 1.00 0.00 N
318
+ ATOM 317 CZ ARG A 39 -1.938 -4.547 -11.749 1.00 0.00 C
319
+ ATOM 318 N ASN A 40 -2.501 0.789 -14.414 1.00 0.00 N
320
+ ATOM 319 CA ASN A 40 -3.048 1.053 -15.741 1.00 0.00 C
321
+ ATOM 320 C ASN A 40 -4.297 0.220 -16.009 1.00 0.00 C
322
+ ATOM 321 CB ASN A 40 -1.993 0.789 -16.818 1.00 0.00 C
323
+ ATOM 322 O ASN A 40 -5.188 0.648 -16.744 1.00 0.00 O
324
+ ATOM 323 CG ASN A 40 -0.935 1.874 -16.876 1.00 0.00 C
325
+ ATOM 324 ND2 ASN A 40 0.230 1.537 -17.418 1.00 0.00 N
326
+ ATOM 325 OD1 ASN A 40 -1.163 3.005 -16.438 1.00 0.00 O
327
+ ATOM 326 N GLU A 41 -4.409 -0.846 -15.390 1.00 0.00 N
328
+ ATOM 327 CA GLU A 41 -5.608 -1.667 -15.526 1.00 0.00 C
329
+ ATOM 328 C GLU A 41 -6.802 -1.022 -14.828 1.00 0.00 C
330
+ ATOM 329 CB GLU A 41 -5.365 -3.071 -14.965 1.00 0.00 C
331
+ ATOM 330 O GLU A 41 -6.655 -0.436 -13.753 1.00 0.00 O
332
+ ATOM 331 CG GLU A 41 -4.342 -3.879 -15.750 1.00 0.00 C
333
+ ATOM 332 CD GLU A 41 -4.145 -5.285 -15.208 1.00 0.00 C
334
+ ATOM 333 OE1 GLU A 41 -4.903 -5.698 -14.300 1.00 0.00 O
335
+ ATOM 334 OE2 GLU A 41 -3.225 -5.980 -15.694 1.00 0.00 O
336
+ ATOM 335 N PRO A 42 -7.943 -1.095 -15.441 1.00 0.00 N
337
+ ATOM 336 CA PRO A 42 -9.123 -0.505 -14.803 1.00 0.00 C
338
+ ATOM 337 C PRO A 42 -9.430 -1.127 -13.442 1.00 0.00 C
339
+ ATOM 338 CB PRO A 42 -10.246 -0.797 -15.801 1.00 0.00 C
340
+ ATOM 339 O PRO A 42 -9.273 -2.337 -13.262 1.00 0.00 O
341
+ ATOM 340 CG PRO A 42 -9.546 -1.084 -17.090 1.00 0.00 C
342
+ ATOM 341 CD PRO A 42 -8.173 -1.610 -16.781 1.00 0.00 C
343
+ ATOM 342 N ASN A 43 -9.795 -0.290 -12.535 1.00 0.00 N
344
+ ATOM 343 CA ASN A 43 -10.262 -0.684 -11.210 1.00 0.00 C
345
+ ATOM 344 C ASN A 43 -9.191 -1.457 -10.445 1.00 0.00 C
346
+ ATOM 345 CB ASN A 43 -11.542 -1.515 -11.317 1.00 0.00 C
347
+ ATOM 346 O ASN A 43 -9.498 -2.425 -9.747 1.00 0.00 O
348
+ ATOM 347 CG ASN A 43 -12.698 -0.733 -11.912 1.00 0.00 C
349
+ ATOM 348 ND2 ASN A 43 -13.508 -1.400 -12.724 1.00 0.00 N
350
+ ATOM 349 OD1 ASN A 43 -12.859 0.460 -11.644 1.00 0.00 O
351
+ ATOM 350 N SER A 44 -7.967 -1.065 -10.620 1.00 0.00 N
352
+ ATOM 351 CA SER A 44 -6.837 -1.786 -10.044 1.00 0.00 C
353
+ ATOM 352 C SER A 44 -5.837 -0.829 -9.405 1.00 0.00 C
354
+ ATOM 353 CB SER A 44 -6.139 -2.629 -11.112 1.00 0.00 C
355
+ ATOM 354 O SER A 44 -5.544 0.232 -9.960 1.00 0.00 O
356
+ ATOM 355 OG SER A 44 -5.113 -3.420 -10.537 1.00 0.00 O
357
+ ATOM 356 N TYR A 45 -5.413 -1.179 -8.296 1.00 0.00 N
358
+ ATOM 357 CA TYR A 45 -4.400 -0.450 -7.540 1.00 0.00 C
359
+ ATOM 358 C TYR A 45 -3.267 -1.375 -7.114 1.00 0.00 C
360
+ ATOM 359 CB TYR A 45 -5.023 0.214 -6.308 1.00 0.00 C
361
+ ATOM 360 O TYR A 45 -3.390 -2.599 -7.203 1.00 0.00 O
362
+ ATOM 361 CG TYR A 45 -6.210 1.090 -6.625 1.00 0.00 C
363
+ ATOM 362 CD1 TYR A 45 -6.043 2.438 -6.934 1.00 0.00 C
364
+ ATOM 363 CD2 TYR A 45 -7.501 0.573 -6.618 1.00 0.00 C
365
+ ATOM 364 CE1 TYR A 45 -7.134 3.250 -7.225 1.00 0.00 C
366
+ ATOM 365 CE2 TYR A 45 -8.600 1.375 -6.907 1.00 0.00 C
367
+ ATOM 366 OH TYR A 45 -9.490 3.510 -7.498 1.00 0.00 O
368
+ ATOM 367 CZ TYR A 45 -8.406 2.710 -7.210 1.00 0.00 C
369
+ ATOM 368 N ALA A 46 -2.226 -0.837 -6.646 1.00 0.00 N
370
+ ATOM 369 CA ALA A 46 -1.130 -1.590 -6.042 1.00 0.00 C
371
+ ATOM 370 C ALA A 46 -0.654 -0.927 -4.752 1.00 0.00 C
372
+ ATOM 371 CB ALA A 46 0.030 -1.722 -7.027 1.00 0.00 C
373
+ ATOM 372 O ALA A 46 -0.530 0.297 -4.686 1.00 0.00 O
374
+ ATOM 373 N ILE A 47 -0.488 -1.718 -3.744 1.00 0.00 N
375
+ ATOM 374 CA ILE A 47 0.245 -1.298 -2.554 1.00 0.00 C
376
+ ATOM 375 C ILE A 47 1.733 -1.587 -2.736 1.00 0.00 C
377
+ ATOM 376 CB ILE A 47 -0.287 -2.000 -1.285 1.00 0.00 C
378
+ ATOM 377 O ILE A 47 2.129 -2.739 -2.930 1.00 0.00 O
379
+ ATOM 378 CG1 ILE A 47 -1.803 -1.808 -1.164 1.00 0.00 C
380
+ ATOM 379 CG2 ILE A 47 0.431 -1.478 -0.038 1.00 0.00 C
381
+ ATOM 380 CD1 ILE A 47 -2.462 -2.714 -0.133 1.00 0.00 C
382
+ ATOM 381 N SER A 48 2.537 -0.589 -2.795 1.00 0.00 N
383
+ ATOM 382 CA SER A 48 3.990 -0.716 -2.818 1.00 0.00 C
384
+ ATOM 383 C SER A 48 4.595 -0.387 -1.457 1.00 0.00 C
385
+ ATOM 384 CB SER A 48 4.592 0.199 -3.885 1.00 0.00 C
386
+ ATOM 385 O SER A 48 4.317 0.669 -0.886 1.00 0.00 O
387
+ ATOM 386 OG SER A 48 4.105 -0.142 -5.172 1.00 0.00 O
388
+ ATOM 387 N PHE A 49 5.394 -1.264 -0.968 1.00 0.00 N
389
+ ATOM 388 CA PHE A 49 5.870 -1.057 0.394 1.00 0.00 C
390
+ ATOM 389 C PHE A 49 7.238 -1.699 0.593 1.00 0.00 C
391
+ ATOM 390 CB PHE A 49 4.870 -1.625 1.406 1.00 0.00 C
392
+ ATOM 391 O PHE A 49 7.664 -2.527 -0.214 1.00 0.00 O
393
+ ATOM 392 CG PHE A 49 4.718 -3.121 1.334 1.00 0.00 C
394
+ ATOM 393 CD1 PHE A 49 3.919 -3.705 0.357 1.00 0.00 C
395
+ ATOM 394 CD2 PHE A 49 5.372 -3.942 2.242 1.00 0.00 C
396
+ ATOM 395 CE1 PHE A 49 3.775 -5.088 0.288 1.00 0.00 C
397
+ ATOM 396 CE2 PHE A 49 5.233 -5.326 2.178 1.00 0.00 C
398
+ ATOM 397 CZ PHE A 49 4.433 -5.897 1.202 1.00 0.00 C
399
+ ATOM 398 N ARG A 50 7.905 -1.353 1.708 1.00 0.00 N
400
+ ATOM 399 CA ARG A 50 9.189 -1.935 2.086 1.00 0.00 C
401
+ ATOM 400 C ARG A 50 9.026 -2.922 3.238 1.00 0.00 C
402
+ ATOM 401 CB ARG A 50 10.184 -0.839 2.473 1.00 0.00 C
403
+ ATOM 402 O ARG A 50 8.396 -2.605 4.249 1.00 0.00 O
404
+ ATOM 403 CG ARG A 50 10.623 0.033 1.307 1.00 0.00 C
405
+ ATOM 404 CD ARG A 50 11.768 0.958 1.695 1.00 0.00 C
406
+ ATOM 405 NE ARG A 50 13.024 0.229 1.841 1.00 0.00 N
407
+ ATOM 406 NH1 ARG A 50 14.048 1.217 0.020 1.00 0.00 N
408
+ ATOM 407 NH2 ARG A 50 15.173 -0.345 1.265 1.00 0.00 N
409
+ ATOM 408 CZ ARG A 50 14.079 0.369 1.041 1.00 0.00 C
410
+ ATOM 409 N ALA A 51 9.547 -4.036 2.999 1.00 0.00 N
411
+ ATOM 410 CA ALA A 51 9.550 -5.102 3.998 1.00 0.00 C
412
+ ATOM 411 C ALA A 51 10.834 -5.923 3.920 1.00 0.00 C
413
+ ATOM 412 CB ALA A 51 8.332 -6.004 3.815 1.00 0.00 C
414
+ ATOM 413 O ALA A 51 11.227 -6.371 2.841 1.00 0.00 O
415
+ ATOM 414 N GLU A 52 11.546 -6.023 5.057 1.00 0.00 N
416
+ ATOM 415 CA GLU A 52 12.794 -6.766 5.215 1.00 0.00 C
417
+ ATOM 416 C GLU A 52 13.842 -6.306 4.206 1.00 0.00 C
418
+ ATOM 417 CB GLU A 52 12.547 -8.269 5.067 1.00 0.00 C
419
+ ATOM 418 O GLU A 52 14.495 -7.128 3.561 1.00 0.00 O
420
+ ATOM 419 CG GLU A 52 11.680 -8.862 6.169 1.00 0.00 C
421
+ ATOM 420 CD GLU A 52 11.525 -10.371 6.064 1.00 0.00 C
422
+ ATOM 421 OE1 GLU A 52 11.891 -10.947 5.016 1.00 0.00 O
423
+ ATOM 422 OE2 GLU A 52 11.032 -10.980 7.039 1.00 0.00 O
424
+ ATOM 423 N GLY A 53 13.867 -5.075 3.970 1.00 0.00 N
425
+ ATOM 424 CA GLY A 53 14.900 -4.457 3.155 1.00 0.00 C
426
+ ATOM 425 C GLY A 53 14.608 -4.525 1.668 1.00 0.00 C
427
+ ATOM 426 O GLY A 53 15.446 -4.147 0.847 1.00 0.00 O
428
+ ATOM 427 N LYS A 54 13.404 -5.033 1.317 1.00 0.00 N
429
+ ATOM 428 CA LYS A 54 13.021 -5.178 -0.084 1.00 0.00 C
430
+ ATOM 429 C LYS A 54 11.714 -4.446 -0.377 1.00 0.00 C
431
+ ATOM 430 CB LYS A 54 12.887 -6.657 -0.452 1.00 0.00 C
432
+ ATOM 431 O LYS A 54 10.918 -4.200 0.532 1.00 0.00 O
433
+ ATOM 432 CG LYS A 54 14.172 -7.456 -0.288 1.00 0.00 C
434
+ ATOM 433 CD LYS A 54 13.984 -8.909 -0.702 1.00 0.00 C
435
+ ATOM 434 CE LYS A 54 15.242 -9.730 -0.451 1.00 0.00 C
436
+ ATOM 435 NZ LYS A 54 15.073 -11.149 -0.886 1.00 0.00 N
437
+ ATOM 436 N ILE A 55 11.555 -4.098 -1.572 1.00 0.00 N
438
+ ATOM 437 CA ILE A 55 10.314 -3.478 -2.020 1.00 0.00 C
439
+ ATOM 438 C ILE A 55 9.372 -4.547 -2.571 1.00 0.00 C
440
+ ATOM 439 CB ILE A 55 10.576 -2.393 -3.088 1.00 0.00 C
441
+ ATOM 440 O ILE A 55 9.772 -5.368 -3.399 1.00 0.00 O
442
+ ATOM 441 CG1 ILE A 55 11.392 -1.241 -2.489 1.00 0.00 C
443
+ ATOM 442 CG2 ILE A 55 9.258 -1.882 -3.675 1.00 0.00 C
444
+ ATOM 443 CD1 ILE A 55 11.918 -0.252 -3.521 1.00 0.00 C
445
+ ATOM 444 N LYS A 56 8.244 -4.592 -2.140 1.00 0.00 N
446
+ ATOM 445 CA LYS A 56 7.207 -5.532 -2.554 1.00 0.00 C
447
+ ATOM 446 C LYS A 56 5.971 -4.799 -3.064 1.00 0.00 C
448
+ ATOM 447 CB LYS A 56 6.827 -6.456 -1.395 1.00 0.00 C
449
+ ATOM 448 O LYS A 56 5.725 -3.649 -2.690 1.00 0.00 O
450
+ ATOM 449 CG LYS A 56 7.991 -7.258 -0.835 1.00 0.00 C
451
+ ATOM 450 CD LYS A 56 7.524 -8.273 0.201 1.00 0.00 C
452
+ ATOM 451 CE LYS A 56 8.682 -9.117 0.720 1.00 0.00 C
453
+ ATOM 452 NZ LYS A 56 8.966 -10.278 -0.174 1.00 0.00 N
454
+ ATOM 453 N HIS A 57 5.187 -5.494 -3.842 1.00 0.00 N
455
+ ATOM 454 CA HIS A 57 3.972 -4.949 -4.439 1.00 0.00 C
456
+ ATOM 455 C HIS A 57 2.802 -5.916 -4.287 1.00 0.00 C
457
+ ATOM 456 CB HIS A 57 4.198 -4.627 -5.917 1.00 0.00 C
458
+ ATOM 457 O HIS A 57 2.939 -7.110 -4.563 1.00 0.00 O
459
+ ATOM 458 CG HIS A 57 5.446 -3.845 -6.176 1.00 0.00 C
460
+ ATOM 459 CD2 HIS A 57 6.689 -4.246 -6.533 1.00 0.00 C
461
+ ATOM 460 ND1 HIS A 57 5.500 -2.472 -6.071 1.00 0.00 N
462
+ ATOM 461 CE1 HIS A 57 6.725 -2.062 -6.354 1.00 0.00 C
463
+ ATOM 462 NE2 HIS A 57 7.466 -3.119 -6.638 1.00 0.00 N
464
+ ATOM 463 N CYS A 58 1.723 -5.402 -3.810 1.00 0.00 N
465
+ ATOM 464 CA CYS A 58 0.489 -6.175 -3.723 1.00 0.00 C
466
+ ATOM 465 C CYS A 58 -0.601 -5.564 -4.593 1.00 0.00 C
467
+ ATOM 466 CB CYS A 58 0.010 -6.259 -2.274 1.00 0.00 C
468
+ ATOM 467 O CYS A 58 -0.900 -4.374 -4.476 1.00 0.00 O
469
+ ATOM 468 SG CYS A 58 1.106 -7.211 -1.198 1.00 0.00 S
470
+ ATOM 469 N ARG A 59 -1.157 -6.363 -5.429 1.00 0.00 N
471
+ ATOM 470 CA ARG A 59 -2.266 -5.930 -6.274 1.00 0.00 C
472
+ ATOM 471 C ARG A 59 -3.563 -5.851 -5.476 1.00 0.00 C
473
+ ATOM 472 CB ARG A 59 -2.439 -6.879 -7.462 1.00 0.00 C
474
+ ATOM 473 O ARG A 59 -3.888 -6.765 -4.716 1.00 0.00 O
475
+ ATOM 474 CG ARG A 59 -3.526 -6.455 -8.435 1.00 0.00 C
476
+ ATOM 475 CD ARG A 59 -3.680 -7.450 -9.577 1.00 0.00 C
477
+ ATOM 476 NE ARG A 59 -4.798 -7.101 -10.451 1.00 0.00 N
478
+ ATOM 477 NH1 ARG A 59 -3.771 -7.811 -12.394 1.00 0.00 N
479
+ ATOM 478 NH2 ARG A 59 -5.883 -6.927 -12.467 1.00 0.00 N
480
+ ATOM 479 CZ ARG A 59 -4.815 -7.280 -11.768 1.00 0.00 C
481
+ ATOM 480 N VAL A 60 -4.319 -4.731 -5.681 1.00 0.00 N
482
+ ATOM 481 CA VAL A 60 -5.636 -4.502 -5.096 1.00 0.00 C
483
+ ATOM 482 C VAL A 60 -6.668 -4.310 -6.206 1.00 0.00 C
484
+ ATOM 483 CB VAL A 60 -5.634 -3.278 -4.152 1.00 0.00 C
485
+ ATOM 484 O VAL A 60 -6.498 -3.457 -7.079 1.00 0.00 O
486
+ ATOM 485 CG1 VAL A 60 -7.026 -3.045 -3.568 1.00 0.00 C
487
+ ATOM 486 CG2 VAL A 60 -4.606 -3.467 -3.037 1.00 0.00 C
488
+ ATOM 487 N GLN A 61 -7.735 -5.082 -6.149 1.00 0.00 N
489
+ ATOM 488 CA GLN A 61 -8.777 -4.999 -7.168 1.00 0.00 C
490
+ ATOM 489 C GLN A 61 -10.043 -4.355 -6.609 1.00 0.00 C
491
+ ATOM 490 CB GLN A 61 -9.096 -6.387 -7.724 1.00 0.00 C
492
+ ATOM 491 O GLN A 61 -10.532 -4.753 -5.549 1.00 0.00 O
493
+ ATOM 492 CG GLN A 61 -10.006 -6.366 -8.944 1.00 0.00 C
494
+ ATOM 493 CD GLN A 61 -9.362 -5.701 -10.147 1.00 0.00 C
495
+ ATOM 494 NE2 GLN A 61 -10.125 -4.864 -10.841 1.00 0.00 N
496
+ ATOM 495 OE1 GLN A 61 -8.188 -5.936 -10.449 1.00 0.00 O
497
+ ATOM 496 N GLN A 62 -10.507 -3.411 -7.389 1.00 0.00 N
498
+ ATOM 497 CA GLN A 62 -11.796 -2.823 -7.038 1.00 0.00 C
499
+ ATOM 498 C GLN A 62 -12.941 -3.556 -7.731 1.00 0.00 C
500
+ ATOM 499 CB GLN A 62 -11.826 -1.338 -7.403 1.00 0.00 C
501
+ ATOM 500 O GLN A 62 -12.937 -3.711 -8.954 1.00 0.00 O
502
+ ATOM 501 CG GLN A 62 -13.111 -0.630 -6.995 1.00 0.00 C
503
+ ATOM 502 CD GLN A 62 -12.975 0.881 -6.994 1.00 0.00 C
504
+ ATOM 503 NE2 GLN A 62 -14.062 1.575 -6.675 1.00 0.00 N
505
+ ATOM 504 OE1 GLN A 62 -11.899 1.420 -7.276 1.00 0.00 O
506
+ ATOM 505 N GLU A 63 -13.775 -4.152 -6.982 1.00 0.00 N
507
+ ATOM 506 CA GLU A 63 -14.953 -4.857 -7.477 1.00 0.00 C
508
+ ATOM 507 C GLU A 63 -16.238 -4.177 -7.016 1.00 0.00 C
509
+ ATOM 508 CB GLU A 63 -14.937 -6.318 -7.018 1.00 0.00 C
510
+ ATOM 509 O GLU A 63 -16.640 -4.316 -5.859 1.00 0.00 O
511
+ ATOM 510 CG GLU A 63 -13.779 -7.128 -7.585 1.00 0.00 C
512
+ ATOM 511 CD GLU A 63 -13.869 -8.611 -7.261 1.00 0.00 C
513
+ ATOM 512 OE1 GLU A 63 -14.907 -9.051 -6.717 1.00 0.00 O
514
+ ATOM 513 OE2 GLU A 63 -12.894 -9.338 -7.554 1.00 0.00 O
515
+ ATOM 514 N GLY A 64 -16.923 -3.538 -7.898 1.00 0.00 N
516
+ ATOM 515 CA GLY A 64 -18.061 -2.726 -7.498 1.00 0.00 C
517
+ ATOM 516 C GLY A 64 -17.703 -1.660 -6.479 1.00 0.00 C
518
+ ATOM 517 O GLY A 64 -16.896 -0.771 -6.759 1.00 0.00 O
519
+ ATOM 518 N GLN A 65 -18.302 -1.756 -5.245 1.00 0.00 N
520
+ ATOM 519 CA GLN A 65 -18.085 -0.758 -4.203 1.00 0.00 C
521
+ ATOM 520 C GLN A 65 -16.990 -1.199 -3.238 1.00 0.00 C
522
+ ATOM 521 CB GLN A 65 -19.382 -0.489 -3.438 1.00 0.00 C
523
+ ATOM 522 O GLN A 65 -16.561 -0.424 -2.381 1.00 0.00 O
524
+ ATOM 523 CG GLN A 65 -20.470 0.163 -4.282 1.00 0.00 C
525
+ ATOM 524 CD GLN A 65 -20.147 1.599 -4.649 1.00 0.00 C
526
+ ATOM 525 NE2 GLN A 65 -20.902 2.155 -5.590 1.00 0.00 N
527
+ ATOM 526 OE1 GLN A 65 -19.225 2.204 -4.092 1.00 0.00 O
528
+ ATOM 527 N THR A 66 -16.537 -2.438 -3.406 1.00 0.00 N
529
+ ATOM 528 CA THR A 66 -15.561 -2.965 -2.459 1.00 0.00 C
530
+ ATOM 529 C THR A 66 -14.197 -3.132 -3.121 1.00 0.00 C
531
+ ATOM 530 CB THR A 66 -16.021 -4.314 -1.876 1.00 0.00 C
532
+ ATOM 531 O THR A 66 -14.085 -3.067 -4.347 1.00 0.00 O
533
+ ATOM 532 CG2 THR A 66 -17.370 -4.181 -1.176 1.00 0.00 C
534
+ ATOM 533 OG1 THR A 66 -16.138 -5.271 -2.937 1.00 0.00 O
535
+ ATOM 534 N VAL A 67 -13.134 -3.316 -2.349 1.00 0.00 N
536
+ ATOM 535 CA VAL A 67 -11.785 -3.589 -2.836 1.00 0.00 C
537
+ ATOM 536 C VAL A 67 -11.303 -4.933 -2.296 1.00 0.00 C
538
+ ATOM 537 CB VAL A 67 -10.799 -2.469 -2.434 1.00 0.00 C
539
+ ATOM 538 O VAL A 67 -11.650 -5.321 -1.178 1.00 0.00 O
540
+ ATOM 539 CG1 VAL A 67 -11.184 -1.148 -3.098 1.00 0.00 C
541
+ ATOM 540 CG2 VAL A 67 -10.758 -2.315 -0.915 1.00 0.00 C
542
+ ATOM 541 N MET A 68 -10.527 -5.619 -3.106 1.00 0.00 N
543
+ ATOM 542 CA MET A 68 -10.056 -6.967 -2.796 1.00 0.00 C
544
+ ATOM 543 C MET A 68 -8.532 -7.016 -2.768 1.00 0.00 C
545
+ ATOM 544 CB MET A 68 -10.594 -7.973 -3.814 1.00 0.00 C
546
+ ATOM 545 O MET A 68 -7.874 -6.539 -3.695 1.00 0.00 O
547
+ ATOM 546 CG MET A 68 -12.102 -7.911 -3.999 1.00 0.00 C
548
+ ATOM 547 SD MET A 68 -13.015 -8.530 -2.533 1.00 0.00 S
549
+ ATOM 548 CE MET A 68 -12.623 -10.299 -2.634 1.00 0.00 C
550
+ ATOM 549 N LEU A 69 -7.967 -7.492 -1.762 1.00 0.00 N
551
+ ATOM 550 CA LEU A 69 -6.571 -7.907 -1.667 1.00 0.00 C
552
+ ATOM 551 C LEU A 69 -6.467 -9.412 -1.442 1.00 0.00 C
553
+ ATOM 552 CB LEU A 69 -5.865 -7.160 -0.532 1.00 0.00 C
554
+ ATOM 553 O LEU A 69 -6.687 -9.895 -0.330 1.00 0.00 O
555
+ ATOM 554 CG LEU A 69 -4.400 -7.523 -0.291 1.00 0.00 C
556
+ ATOM 555 CD1 LEU A 69 -3.547 -7.109 -1.486 1.00 0.00 C
557
+ ATOM 556 CD2 LEU A 69 -3.889 -6.866 0.988 1.00 0.00 C
558
+ ATOM 557 N GLY A 70 -6.038 -10.163 -2.473 1.00 0.00 N
559
+ ATOM 558 CA GLY A 70 -6.246 -11.599 -2.376 1.00 0.00 C
560
+ ATOM 559 C GLY A 70 -7.688 -11.976 -2.097 1.00 0.00 C
561
+ ATOM 560 O GLY A 70 -8.595 -11.552 -2.817 1.00 0.00 O
562
+ ATOM 561 N ASN A 71 -7.936 -12.644 -0.970 1.00 0.00 N
563
+ ATOM 562 CA ASN A 71 -9.277 -13.094 -0.613 1.00 0.00 C
564
+ ATOM 563 C ASN A 71 -9.909 -12.189 0.442 1.00 0.00 C
565
+ ATOM 564 CB ASN A 71 -9.244 -14.542 -0.119 1.00 0.00 C
566
+ ATOM 565 O ASN A 71 -11.009 -12.465 0.923 1.00 0.00 O
567
+ ATOM 566 CG ASN A 71 -8.865 -15.521 -1.212 1.00 0.00 C
568
+ ATOM 567 ND2 ASN A 71 -8.230 -16.623 -0.826 1.00 0.00 N
569
+ ATOM 568 OD1 ASN A 71 -9.137 -15.291 -2.393 1.00 0.00 O
570
+ ATOM 569 N SER A 72 -9.232 -11.149 0.780 1.00 0.00 N
571
+ ATOM 570 CA SER A 72 -9.750 -10.225 1.784 1.00 0.00 C
572
+ ATOM 571 C SER A 72 -10.526 -9.082 1.136 1.00 0.00 C
573
+ ATOM 572 CB SER A 72 -8.610 -9.661 2.634 1.00 0.00 C
574
+ ATOM 573 O SER A 72 -10.025 -8.425 0.222 1.00 0.00 O
575
+ ATOM 574 OG SER A 72 -7.956 -10.696 3.346 1.00 0.00 O
576
+ ATOM 575 N GLU A 73 -11.714 -8.896 1.614 1.00 0.00 N
577
+ ATOM 576 CA GLU A 73 -12.588 -7.857 1.079 1.00 0.00 C
578
+ ATOM 577 C GLU A 73 -12.744 -6.705 2.068 1.00 0.00 C
579
+ ATOM 578 CB GLU A 73 -13.959 -8.438 0.727 1.00 0.00 C
580
+ ATOM 579 O GLU A 73 -12.955 -6.928 3.262 1.00 0.00 O
581
+ ATOM 580 CG GLU A 73 -14.898 -7.440 0.062 1.00 0.00 C
582
+ ATOM 581 CD GLU A 73 -16.213 -8.058 -0.383 1.00 0.00 C
583
+ ATOM 582 OE1 GLU A 73 -16.420 -9.273 -0.161 1.00 0.00 O
584
+ ATOM 583 OE2 GLU A 73 -17.044 -7.322 -0.961 1.00 0.00 O
585
+ ATOM 584 N PHE A 74 -12.733 -5.505 1.504 1.00 0.00 N
586
+ ATOM 585 CA PHE A 74 -12.904 -4.297 2.303 1.00 0.00 C
587
+ ATOM 586 C PHE A 74 -13.885 -3.341 1.634 1.00 0.00 C
588
+ ATOM 587 CB PHE A 74 -11.557 -3.600 2.520 1.00 0.00 C
589
+ ATOM 588 O PHE A 74 -14.078 -3.391 0.418 1.00 0.00 O
590
+ ATOM 589 CG PHE A 74 -10.539 -4.453 3.227 1.00 0.00 C
591
+ ATOM 590 CD1 PHE A 74 -10.365 -4.357 4.602 1.00 0.00 C
592
+ ATOM 591 CD2 PHE A 74 -9.756 -5.352 2.515 1.00 0.00 C
593
+ ATOM 592 CE1 PHE A 74 -9.422 -5.145 5.258 1.00 0.00 C
594
+ ATOM 593 CE2 PHE A 74 -8.813 -6.144 3.164 1.00 0.00 C
595
+ ATOM 594 CZ PHE A 74 -8.647 -6.038 4.535 1.00 0.00 C
596
+ ATOM 595 N ASP A 75 -14.399 -2.409 2.438 1.00 0.00 N
597
+ ATOM 596 CA ASP A 75 -15.408 -1.484 1.930 1.00 0.00 C
598
+ ATOM 597 C ASP A 75 -14.771 -0.403 1.059 1.00 0.00 C
599
+ ATOM 598 CB ASP A 75 -16.180 -0.843 3.084 1.00 0.00 C
600
+ ATOM 599 O ASP A 75 -15.438 0.189 0.208 1.00 0.00 O
601
+ ATOM 600 CG ASP A 75 -17.100 -1.820 3.796 1.00 0.00 C
602
+ ATOM 601 OD1 ASP A 75 -17.512 -2.828 3.182 1.00 0.00 O
603
+ ATOM 602 OD2 ASP A 75 -17.420 -1.577 4.979 1.00 0.00 O
604
+ ATOM 603 N SER A 76 -13.567 -0.084 1.246 1.00 0.00 N
605
+ ATOM 604 CA SER A 76 -12.843 0.953 0.518 1.00 0.00 C
606
+ ATOM 605 C SER A 76 -11.335 0.754 0.627 1.00 0.00 C
607
+ ATOM 606 CB SER A 76 -13.222 2.340 1.041 1.00 0.00 C
608
+ ATOM 607 O SER A 76 -10.864 -0.016 1.465 1.00 0.00 O
609
+ ATOM 608 OG SER A 76 -12.751 2.523 2.366 1.00 0.00 O
610
+ ATOM 609 N LEU A 77 -10.643 1.457 -0.234 1.00 0.00 N
611
+ ATOM 610 CA LEU A 77 -9.187 1.454 -0.154 1.00 0.00 C
612
+ ATOM 611 C LEU A 77 -8.715 1.968 1.202 1.00 0.00 C
613
+ ATOM 612 CB LEU A 77 -8.586 2.308 -1.274 1.00 0.00 C
614
+ ATOM 613 O LEU A 77 -7.749 1.450 1.765 1.00 0.00 O
615
+ ATOM 614 CG LEU A 77 -7.069 2.223 -1.452 1.00 0.00 C
616
+ ATOM 615 CD1 LEU A 77 -6.643 0.777 -1.679 1.00 0.00 C
617
+ ATOM 616 CD2 LEU A 77 -6.616 3.108 -2.609 1.00 0.00 C
618
+ ATOM 617 N VAL A 78 -9.428 2.987 1.805 1.00 0.00 N
619
+ ATOM 618 CA VAL A 78 -9.072 3.576 3.091 1.00 0.00 C
620
+ ATOM 619 C VAL A 78 -9.224 2.534 4.197 1.00 0.00 C
621
+ ATOM 620 CB VAL A 78 -9.937 4.818 3.406 1.00 0.00 C
622
+ ATOM 621 O VAL A 78 -8.366 2.423 5.076 1.00 0.00 O
623
+ ATOM 622 CG1 VAL A 78 -9.680 5.308 4.829 1.00 0.00 C
624
+ ATOM 623 CG2 VAL A 78 -9.659 5.930 2.395 1.00 0.00 C
625
+ ATOM 624 N ASP A 79 -10.247 1.738 4.115 1.00 0.00 N
626
+ ATOM 625 CA ASP A 79 -10.449 0.702 5.122 1.00 0.00 C
627
+ ATOM 626 C ASP A 79 -9.384 -0.388 5.009 1.00 0.00 C
628
+ ATOM 627 CB ASP A 79 -11.844 0.088 4.990 1.00 0.00 C
629
+ ATOM 628 O ASP A 79 -8.931 -0.927 6.021 1.00 0.00 O
630
+ ATOM 629 CG ASP A 79 -12.951 1.033 5.424 1.00 0.00 C
631
+ ATOM 630 OD1 ASP A 79 -12.685 1.960 6.219 1.00 0.00 O
632
+ ATOM 631 OD2 ASP A 79 -14.101 0.846 4.970 1.00 0.00 O
633
+ ATOM 632 N LEU A 80 -9.052 -0.711 3.818 1.00 0.00 N
634
+ ATOM 633 CA LEU A 80 -8.001 -1.698 3.594 1.00 0.00 C
635
+ ATOM 634 C LEU A 80 -6.686 -1.243 4.220 1.00 0.00 C
636
+ ATOM 635 CB LEU A 80 -7.808 -1.946 2.097 1.00 0.00 C
637
+ ATOM 636 O LEU A 80 -6.071 -1.985 4.989 1.00 0.00 O
638
+ ATOM 637 CG LEU A 80 -6.744 -2.976 1.712 1.00 0.00 C
639
+ ATOM 638 CD1 LEU A 80 -7.076 -3.601 0.362 1.00 0.00 C
640
+ ATOM 639 CD2 LEU A 80 -5.363 -2.331 1.683 1.00 0.00 C
641
+ ATOM 640 N ILE A 81 -6.305 -0.042 3.945 1.00 0.00 N
642
+ ATOM 641 CA ILE A 81 -5.030 0.472 4.433 1.00 0.00 C
643
+ ATOM 642 C ILE A 81 -5.075 0.603 5.954 1.00 0.00 C
644
+ ATOM 643 CB ILE A 81 -4.686 1.833 3.788 1.00 0.00 C
645
+ ATOM 644 O ILE A 81 -4.121 0.235 6.644 1.00 0.00 O
646
+ ATOM 645 CG1 ILE A 81 -4.458 1.667 2.281 1.00 0.00 C
647
+ ATOM 646 CG2 ILE A 81 -3.460 2.455 4.462 1.00 0.00 C
648
+ ATOM 647 CD1 ILE A 81 -3.328 0.709 1.927 1.00 0.00 C
649
+ ATOM 648 N SER A 82 -6.188 1.083 6.509 1.00 0.00 N
650
+ ATOM 649 CA SER A 82 -6.349 1.214 7.953 1.00 0.00 C
651
+ ATOM 650 C SER A 82 -6.195 -0.133 8.652 1.00 0.00 C
652
+ ATOM 651 CB SER A 82 -7.713 1.819 8.288 1.00 0.00 C
653
+ ATOM 652 O SER A 82 -5.581 -0.219 9.717 1.00 0.00 O
654
+ ATOM 653 OG SER A 82 -7.779 3.172 7.872 1.00 0.00 O
655
+ ATOM 654 N TYR A 83 -6.766 -1.118 7.998 1.00 0.00 N
656
+ ATOM 655 CA TYR A 83 -6.638 -2.450 8.579 1.00 0.00 C
657
+ ATOM 656 C TYR A 83 -5.175 -2.868 8.667 1.00 0.00 C
658
+ ATOM 657 CB TYR A 83 -7.425 -3.474 7.755 1.00 0.00 C
659
+ ATOM 658 O TYR A 83 -4.722 -3.347 9.710 1.00 0.00 O
660
+ ATOM 659 CG TYR A 83 -7.371 -4.874 8.314 1.00 0.00 C
661
+ ATOM 660 CD1 TYR A 83 -8.252 -5.280 9.314 1.00 0.00 C
662
+ ATOM 661 CD2 TYR A 83 -6.438 -5.793 7.847 1.00 0.00 C
663
+ ATOM 662 CE1 TYR A 83 -8.205 -6.570 9.835 1.00 0.00 C
664
+ ATOM 663 CE2 TYR A 83 -6.381 -7.084 8.360 1.00 0.00 C
665
+ ATOM 664 OH TYR A 83 -7.215 -8.741 9.864 1.00 0.00 O
666
+ ATOM 665 CZ TYR A 83 -7.268 -7.464 9.352 1.00 0.00 C
667
+ ATOM 666 N TYR A 84 -4.364 -2.648 7.679 1.00 0.00 N
668
+ ATOM 667 CA TYR A 84 -2.995 -3.153 7.662 1.00 0.00 C
669
+ ATOM 668 C TYR A 84 -2.036 -2.152 8.296 1.00 0.00 C
670
+ ATOM 669 CB TYR A 84 -2.554 -3.461 6.227 1.00 0.00 C
671
+ ATOM 670 O TYR A 84 -0.834 -2.410 8.393 1.00 0.00 O
672
+ ATOM 671 CG TYR A 84 -3.090 -4.768 5.696 1.00 0.00 C
673
+ ATOM 672 CD1 TYR A 84 -2.682 -5.985 6.238 1.00 0.00 C
674
+ ATOM 673 CD2 TYR A 84 -4.007 -4.790 4.649 1.00 0.00 C
675
+ ATOM 674 CE1 TYR A 84 -3.171 -7.192 5.750 1.00 0.00 C
676
+ ATOM 675 CE2 TYR A 84 -4.504 -5.991 4.153 1.00 0.00 C
677
+ ATOM 676 OH TYR A 84 -4.569 -8.376 4.222 1.00 0.00 O
678
+ ATOM 677 CZ TYR A 84 -4.081 -7.184 4.710 1.00 0.00 C
679
+ ATOM 678 N GLU A 85 -2.590 -1.067 8.685 1.00 0.00 N
680
+ ATOM 679 CA GLU A 85 -1.853 -0.214 9.614 1.00 0.00 C
681
+ ATOM 680 C GLU A 85 -1.874 -0.789 11.027 1.00 0.00 C
682
+ ATOM 681 CB GLU A 85 -2.430 1.204 9.615 1.00 0.00 C
683
+ ATOM 682 O GLU A 85 -0.981 -0.511 11.830 1.00 0.00 O
684
+ ATOM 683 CG GLU A 85 -2.085 2.010 8.371 1.00 0.00 C
685
+ ATOM 684 CD GLU A 85 -2.775 3.363 8.321 1.00 0.00 C
686
+ ATOM 685 OE1 GLU A 85 -3.802 3.546 9.013 1.00 0.00 O
687
+ ATOM 686 OE2 GLU A 85 -2.285 4.248 7.584 1.00 0.00 O
688
+ ATOM 687 N LYS A 86 -2.821 -1.658 11.292 1.00 0.00 N
689
+ ATOM 688 CA LYS A 86 -2.972 -2.224 12.629 1.00 0.00 C
690
+ ATOM 689 C LYS A 86 -2.604 -3.705 12.645 1.00 0.00 C
691
+ ATOM 690 CB LYS A 86 -4.405 -2.035 13.132 1.00 0.00 C
692
+ ATOM 691 O LYS A 86 -2.320 -4.268 13.704 1.00 0.00 O
693
+ ATOM 692 CG LYS A 86 -4.809 -0.579 13.315 1.00 0.00 C
694
+ ATOM 693 CD LYS A 86 -6.267 -0.453 13.737 1.00 0.00 C
695
+ ATOM 694 CE LYS A 86 -6.713 1.002 13.781 1.00 0.00 C
696
+ ATOM 695 NZ LYS A 86 -8.166 1.127 14.105 1.00 0.00 N
697
+ ATOM 696 N HIS A 87 -2.621 -4.329 11.414 1.00 0.00 N
698
+ ATOM 697 CA HIS A 87 -2.330 -5.751 11.279 1.00 0.00 C
699
+ ATOM 698 C HIS A 87 -1.220 -5.992 10.261 1.00 0.00 C
700
+ ATOM 699 CB HIS A 87 -3.589 -6.519 10.874 1.00 0.00 C
701
+ ATOM 700 O HIS A 87 -1.047 -5.206 9.327 1.00 0.00 O
702
+ ATOM 701 CG HIS A 87 -4.720 -6.371 11.842 1.00 0.00 C
703
+ ATOM 702 CD2 HIS A 87 -5.115 -7.153 12.875 1.00 0.00 C
704
+ ATOM 703 ND1 HIS A 87 -5.598 -5.311 11.803 1.00 0.00 N
705
+ ATOM 704 CE1 HIS A 87 -6.487 -5.447 12.773 1.00 0.00 C
706
+ ATOM 705 NE2 HIS A 87 -6.216 -6.557 13.438 1.00 0.00 N
707
+ ATOM 706 N PRO A 88 -0.492 -7.034 10.315 1.00 0.00 N
708
+ ATOM 707 CA PRO A 88 0.580 -7.294 9.352 1.00 0.00 C
709
+ ATOM 708 C PRO A 88 0.056 -7.570 7.945 1.00 0.00 C
710
+ ATOM 709 CB PRO A 88 1.279 -8.529 9.927 1.00 0.00 C
711
+ ATOM 710 O PRO A 88 -0.927 -8.298 7.780 1.00 0.00 O
712
+ ATOM 711 CG PRO A 88 0.929 -8.524 11.380 1.00 0.00 C
713
+ ATOM 712 CD PRO A 88 -0.407 -7.859 11.546 1.00 0.00 C
714
+ ATOM 713 N LEU A 89 0.670 -6.925 6.973 1.00 0.00 N
715
+ ATOM 714 CA LEU A 89 0.406 -7.198 5.564 1.00 0.00 C
716
+ ATOM 715 C LEU A 89 1.334 -8.288 5.038 1.00 0.00 C
717
+ ATOM 716 CB LEU A 89 0.573 -5.923 4.732 1.00 0.00 C
718
+ ATOM 717 O LEU A 89 0.919 -9.125 4.232 1.00 0.00 O
719
+ ATOM 718 CG LEU A 89 0.401 -6.074 3.219 1.00 0.00 C
720
+ ATOM 719 CD1 LEU A 89 -0.995 -6.594 2.895 1.00 0.00 C
721
+ ATOM 720 CD2 LEU A 89 0.659 -4.745 2.517 1.00 0.00 C
722
+ ATOM 721 N TYR A 90 2.539 -8.230 5.311 1.00 0.00 N
723
+ ATOM 722 CA TYR A 90 3.594 -9.133 4.868 1.00 0.00 C
724
+ ATOM 723 C TYR A 90 4.432 -9.614 6.047 1.00 0.00 C
725
+ ATOM 724 CB TYR A 90 4.494 -8.444 3.837 1.00 0.00 C
726
+ ATOM 725 O TYR A 90 5.132 -8.821 6.683 1.00 0.00 O
727
+ ATOM 726 CG TYR A 90 5.559 -9.346 3.261 1.00 0.00 C
728
+ ATOM 727 CD1 TYR A 90 6.876 -9.275 3.709 1.00 0.00 C
729
+ ATOM 728 CD2 TYR A 90 5.251 -10.270 2.268 1.00 0.00 C
730
+ ATOM 729 CE1 TYR A 90 7.860 -10.103 3.181 1.00 0.00 C
731
+ ATOM 730 CE2 TYR A 90 6.227 -11.103 1.732 1.00 0.00 C
732
+ ATOM 731 OH TYR A 90 8.498 -11.834 1.668 1.00 0.00 O
733
+ ATOM 732 CZ TYR A 90 7.528 -11.013 2.195 1.00 0.00 C
734
+ ATOM 733 N ARG A 91 4.243 -10.914 6.304 1.00 0.00 N
735
+ ATOM 734 CA ARG A 91 4.875 -11.502 7.481 1.00 0.00 C
736
+ ATOM 735 C ARG A 91 4.501 -10.735 8.744 1.00 0.00 C
737
+ ATOM 736 CB ARG A 91 6.396 -11.532 7.316 1.00 0.00 C
738
+ ATOM 737 O ARG A 91 3.319 -10.563 9.046 1.00 0.00 O
739
+ ATOM 738 CG ARG A 91 6.871 -12.355 6.130 1.00 0.00 C
740
+ ATOM 739 CD ARG A 91 8.387 -12.492 6.109 1.00 0.00 C
741
+ ATOM 740 NE ARG A 91 8.840 -13.306 4.985 1.00 0.00 N
742
+ ATOM 741 NH1 ARG A 91 11.038 -13.424 5.687 1.00 0.00 N
743
+ ATOM 742 NH2 ARG A 91 10.391 -14.467 3.751 1.00 0.00 N
744
+ ATOM 743 CZ ARG A 91 10.088 -13.731 4.810 1.00 0.00 C
745
+ ATOM 744 N LYS A 92 5.542 -10.142 9.507 1.00 0.00 N
746
+ ATOM 745 CA LYS A 92 5.280 -9.400 10.737 1.00 0.00 C
747
+ ATOM 746 C LYS A 92 5.195 -7.900 10.467 1.00 0.00 C
748
+ ATOM 747 CB LYS A 92 6.362 -9.685 11.777 1.00 0.00 C
749
+ ATOM 748 O LYS A 92 5.160 -7.097 11.401 1.00 0.00 O
750
+ ATOM 749 CG LYS A 92 6.396 -11.129 12.256 1.00 0.00 C
751
+ ATOM 750 CD LYS A 92 7.442 -11.333 13.344 1.00 0.00 C
752
+ ATOM 751 CE LYS A 92 7.483 -12.780 13.818 1.00 0.00 C
753
+ ATOM 752 NZ LYS A 92 8.559 -13.002 14.829 1.00 0.00 N
754
+ ATOM 753 N MET A 93 5.188 -7.551 9.255 1.00 0.00 N
755
+ ATOM 754 CA MET A 93 5.313 -6.140 8.902 1.00 0.00 C
756
+ ATOM 755 C MET A 93 3.943 -5.515 8.663 1.00 0.00 C
757
+ ATOM 756 CB MET A 93 6.190 -5.972 7.661 1.00 0.00 C
758
+ ATOM 757 O MET A 93 3.178 -5.990 7.821 1.00 0.00 O
759
+ ATOM 758 CG MET A 93 6.511 -4.522 7.329 1.00 0.00 C
760
+ ATOM 759 SD MET A 93 7.490 -3.701 8.645 1.00 0.00 S
761
+ ATOM 760 CE MET A 93 9.059 -4.598 8.485 1.00 0.00 C
762
+ ATOM 761 N LYS A 94 3.664 -4.381 9.316 1.00 0.00 N
763
+ ATOM 762 CA LYS A 94 2.498 -3.525 9.118 1.00 0.00 C
764
+ ATOM 763 C LYS A 94 2.840 -2.325 8.240 1.00 0.00 C
765
+ ATOM 764 CB LYS A 94 1.948 -3.049 10.463 1.00 0.00 C
766
+ ATOM 765 O LYS A 94 4.013 -1.983 8.075 1.00 0.00 O
767
+ ATOM 766 CG LYS A 94 1.496 -4.176 11.381 1.00 0.00 C
768
+ ATOM 767 CD LYS A 94 1.040 -3.646 12.734 1.00 0.00 C
769
+ ATOM 768 CE LYS A 94 0.700 -4.779 13.693 1.00 0.00 C
770
+ ATOM 769 NZ LYS A 94 0.333 -4.267 15.047 1.00 0.00 N
771
+ ATOM 770 N LEU A 95 1.811 -1.685 7.620 1.00 0.00 N
772
+ ATOM 771 CA LEU A 95 1.989 -0.402 6.949 1.00 0.00 C
773
+ ATOM 772 C LEU A 95 2.112 0.730 7.963 1.00 0.00 C
774
+ ATOM 773 CB LEU A 95 0.820 -0.127 5.999 1.00 0.00 C
775
+ ATOM 774 O LEU A 95 1.177 0.992 8.723 1.00 0.00 O
776
+ ATOM 775 CG LEU A 95 0.565 -1.177 4.916 1.00 0.00 C
777
+ ATOM 776 CD1 LEU A 95 -0.649 -0.789 4.078 1.00 0.00 C
778
+ ATOM 777 CD2 LEU A 95 1.797 -1.346 4.034 1.00 0.00 C
779
+ ATOM 778 N ARG A 96 3.222 1.482 7.979 1.00 0.00 N
780
+ ATOM 779 CA ARG A 96 3.482 2.400 9.085 1.00 0.00 C
781
+ ATOM 780 C ARG A 96 3.713 3.819 8.575 1.00 0.00 C
782
+ ATOM 781 CB ARG A 96 4.690 1.933 9.899 1.00 0.00 C
783
+ ATOM 782 O ARG A 96 3.296 4.788 9.212 1.00 0.00 O
784
+ ATOM 783 CG ARG A 96 4.473 0.610 10.618 1.00 0.00 C
785
+ ATOM 784 CD ARG A 96 5.685 0.216 11.450 1.00 0.00 C
786
+ ATOM 785 NE ARG A 96 5.493 -1.075 12.104 1.00 0.00 N
787
+ ATOM 786 NH1 ARG A 96 7.350 -0.895 13.466 1.00 0.00 N
788
+ ATOM 787 NH2 ARG A 96 6.020 -2.759 13.575 1.00 0.00 N
789
+ ATOM 788 CZ ARG A 96 6.288 -1.574 13.047 1.00 0.00 C
790
+ ATOM 789 N TYR A 97 4.435 3.928 7.440 1.00 0.00 N
791
+ ATOM 790 CA TYR A 97 4.880 5.246 7.001 1.00 0.00 C
792
+ ATOM 791 C TYR A 97 4.362 5.559 5.603 1.00 0.00 C
793
+ ATOM 792 CB TYR A 97 6.410 5.330 7.022 1.00 0.00 C
794
+ ATOM 793 O TYR A 97 4.938 5.115 4.606 1.00 0.00 O
795
+ ATOM 794 CG TYR A 97 7.028 4.839 8.309 1.00 0.00 C
796
+ ATOM 795 CD1 TYR A 97 6.824 5.520 9.507 1.00 0.00 C
797
+ ATOM 796 CD2 TYR A 97 7.817 3.694 8.329 1.00 0.00 C
798
+ ATOM 797 CE1 TYR A 97 7.392 5.073 10.695 1.00 0.00 C
799
+ ATOM 798 CE2 TYR A 97 8.391 3.238 9.511 1.00 0.00 C
800
+ ATOM 799 OH TYR A 97 8.738 3.484 11.860 1.00 0.00 O
801
+ ATOM 800 CZ TYR A 97 8.173 3.932 10.687 1.00 0.00 C
802
+ ATOM 801 N PRO A 98 3.323 6.320 5.507 1.00 0.00 N
803
+ ATOM 802 CA PRO A 98 2.858 6.714 4.175 1.00 0.00 C
804
+ ATOM 803 C PRO A 98 3.854 7.613 3.445 1.00 0.00 C
805
+ ATOM 804 CB PRO A 98 1.556 7.464 4.464 1.00 0.00 C
806
+ ATOM 805 O PRO A 98 4.426 8.524 4.049 1.00 0.00 O
807
+ ATOM 806 CG PRO A 98 1.724 8.005 5.847 1.00 0.00 C
808
+ ATOM 807 CD PRO A 98 2.598 7.062 6.624 1.00 0.00 C
809
+ ATOM 808 N ILE A 99 4.067 7.272 2.218 1.00 0.00 N
810
+ ATOM 809 CA ILE A 99 5.047 8.001 1.420 1.00 0.00 C
811
+ ATOM 810 C ILE A 99 4.329 8.873 0.392 1.00 0.00 C
812
+ ATOM 811 CB ILE A 99 6.030 7.040 0.715 1.00 0.00 C
813
+ ATOM 812 O ILE A 99 3.414 8.410 -0.292 1.00 0.00 O
814
+ ATOM 813 CG1 ILE A 99 6.720 6.134 1.741 1.00 0.00 C
815
+ ATOM 814 CG2 ILE A 99 7.059 7.824 -0.103 1.00 0.00 C
816
+ ATOM 815 CD1 ILE A 99 7.667 6.870 2.678 1.00 0.00 C
817
+ ATOM 816 N ASN A 100 4.712 10.104 0.324 1.00 0.00 N
818
+ ATOM 817 CA ASN A 100 4.265 11.027 -0.713 1.00 0.00 C
819
+ ATOM 818 C ASN A 100 5.422 11.863 -1.255 1.00 0.00 C
820
+ ATOM 819 CB ASN A 100 3.157 11.937 -0.182 1.00 0.00 C
821
+ ATOM 820 O ASN A 100 6.565 11.705 -0.822 1.00 0.00 O
822
+ ATOM 821 CG ASN A 100 3.611 12.794 0.983 1.00 0.00 C
823
+ ATOM 822 ND2 ASN A 100 2.675 13.162 1.849 1.00 0.00 N
824
+ ATOM 823 OD1 ASN A 100 4.795 13.125 1.102 1.00 0.00 O
825
+ ATOM 824 N GLU A 101 5.237 12.666 -2.258 1.00 0.00 N
826
+ ATOM 825 CA GLU A 101 6.317 13.414 -2.894 1.00 0.00 C
827
+ ATOM 826 C GLU A 101 7.058 14.283 -1.882 1.00 0.00 C
828
+ ATOM 827 CB GLU A 101 5.773 14.281 -4.033 1.00 0.00 C
829
+ ATOM 828 O GLU A 101 8.267 14.492 -2.003 1.00 0.00 O
830
+ ATOM 829 CG GLU A 101 5.392 13.494 -5.278 1.00 0.00 C
831
+ ATOM 830 CD GLU A 101 5.001 14.378 -6.451 1.00 0.00 C
832
+ ATOM 831 OE1 GLU A 101 5.063 15.623 -6.321 1.00 0.00 O
833
+ ATOM 832 OE2 GLU A 101 4.628 13.823 -7.509 1.00 0.00 O
834
+ ATOM 833 N GLU A 102 6.350 14.776 -0.948 1.00 0.00 N
835
+ ATOM 834 CA GLU A 102 6.939 15.709 0.007 1.00 0.00 C
836
+ ATOM 835 C GLU A 102 7.958 15.011 0.903 1.00 0.00 C
837
+ ATOM 836 CB GLU A 102 5.849 16.362 0.862 1.00 0.00 C
838
+ ATOM 837 O GLU A 102 9.009 15.578 1.216 1.00 0.00 O
839
+ ATOM 838 CG GLU A 102 4.919 17.276 0.078 1.00 0.00 C
840
+ ATOM 839 CD GLU A 102 3.838 17.912 0.938 1.00 0.00 C
841
+ ATOM 840 OE1 GLU A 102 3.814 17.664 2.164 1.00 0.00 O
842
+ ATOM 841 OE2 GLU A 102 3.007 18.663 0.379 1.00 0.00 O
843
+ ATOM 842 N ASN A 103 7.714 13.758 1.302 1.00 0.00 N
844
+ ATOM 843 CA ASN A 103 8.573 13.129 2.299 1.00 0.00 C
845
+ ATOM 844 C ASN A 103 9.424 12.019 1.687 1.00 0.00 C
846
+ ATOM 845 CB ASN A 103 7.738 12.580 3.457 1.00 0.00 C
847
+ ATOM 846 O ASN A 103 9.940 11.160 2.403 1.00 0.00 O
848
+ ATOM 847 CG ASN A 103 6.783 11.486 3.022 1.00 0.00 C
849
+ ATOM 848 ND2 ASN A 103 5.945 11.029 3.946 1.00 0.00 N
850
+ ATOM 849 OD1 ASN A 103 6.798 11.055 1.867 1.00 0.00 O
851
+ ATOM 850 N SER A 104 9.544 11.957 0.346 1.00 0.00 N
852
+ ATOM 851 CA SER A 104 10.416 10.995 -0.320 1.00 0.00 C
853
+ ATOM 852 C SER A 104 11.613 11.687 -0.963 1.00 0.00 C
854
+ ATOM 853 CB SER A 104 9.638 10.213 -1.381 1.00 0.00 C
855
+ ATOM 854 O SER A 104 12.504 11.025 -1.500 1.00 0.00 O
856
+ ATOM 855 OG SER A 104 9.167 11.080 -2.398 1.00 0.00 O
857
+ ATOM 856 N SER A 105 11.644 13.124 -0.705 1.00 0.00 N
858
+ ATOM 857 CA SER A 105 12.808 13.872 -1.168 1.00 0.00 C
859
+ ATOM 858 C SER A 105 13.828 14.057 -0.048 1.00 0.00 C
860
+ ATOM 859 CB SER A 105 12.385 15.237 -1.713 1.00 0.00 C
861
+ ATOM 860 O SER A 105 13.466 14.072 1.131 1.00 0.00 O
862
+ ATOM 861 OG SER A 105 11.178 15.133 -2.447 1.00 0.00 O
863
+ ATOM 862 OXT SER A 105 14.672 14.126 -0.912 1.00 0.00 O
864
+ TER 863 SER A 105
865
+ END
2fci/2fci_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2fgv/2fgv_ligand.mol2 ADDED
@@ -0,0 +1,220 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2fgv_ligand
7
+ 100 104 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 O 18.8700 -5.7580 11.7800 O.2 1 QNC -0.3762
14
+ 2 C 19.1110 -6.2710 12.8630 C.2 1 QNC 0.2293
15
+ 3 N1 20.1670 -8.0980 14.1680 N.ar 1 QNC -0.2737
16
+ 4 C2 19.9340 -7.5150 12.9700 C.ar 1 QNC 0.1219
17
+ 5 C3 20.4480 -8.0640 11.8050 C.ar 1 QNC -0.0136
18
+ 6 C4 21.2080 -9.2210 11.8830 C.ar 1 QNC -0.0314
19
+ 7 C4A 21.4460 -9.8060 13.1130 C.ar 1 QNC 0.0097
20
+ 8 C5 22.2110 -10.9660 13.1750 C.ar 1 QNC -0.0444
21
+ 9 C6 22.4580 -11.5700 14.3980 C.ar 1 QNC -0.0546
22
+ 10 C7 21.9330 -10.9940 15.5470 C.ar 1 QNC -0.0545
23
+ 11 C8 21.1660 -9.8340 15.4800 C.ar 1 QNC -0.0370
24
+ 12 C8A 20.9140 -9.2240 14.2560 C.ar 1 QNC 0.0527
25
+ 13 N 18.5410 -5.5750 13.8430 N.am 1 ASN -0.2600
26
+ 14 CA 17.7700 -4.4790 14.3540 C.3 1 ASN 0.1473
27
+ 15 C 18.6100 -3.5830 15.2210 C.2 1 ASN 0.2045
28
+ 16 O 18.5820 -3.7060 16.4270 O.2 1 ASN -0.3943
29
+ 17 CB 16.4340 -4.9060 14.9250 C.3 1 ASN 0.0773
30
+ 18 CG 15.7120 -5.5660 13.7760 C.2 1 ASN 0.1780
31
+ 19 OD1 15.3510 -4.9030 12.8210 O.2 1 ASN -0.3970
32
+ 20 ND2 15.5220 -6.8820 13.8570 N.am 1 ASN -0.3007
33
+ 21 C 19.7960 -0.2620 14.8820 C.3 1 HPH 0.1194
34
+ 22 O 19.9750 0.1130 13.6100 O.3 1 HPH -0.3840
35
+ 23 CA 20.1830 -1.6790 15.2030 C.3 1 HPH 0.0823
36
+ 24 N 19.3300 -2.6650 14.5610 N.am 1 HPH -0.2772
37
+ 25 CB 21.6410 -1.8640 14.7870 C.3 1 HPH 0.0066
38
+ 26 CG 22.1010 -3.3000 14.8710 C.ar 1 HPH -0.0408
39
+ 27 CD1 22.4900 -3.8380 16.0920 C.ar 1 HPH -0.0603
40
+ 28 CD2 22.1450 -4.0690 13.7140 C.ar 1 HPH -0.0603
41
+ 29 CE1 22.9100 -5.1640 16.1660 C.ar 1 HPH -0.0686
42
+ 30 CE2 22.5680 -5.3930 13.7920 C.ar 1 HPH -0.0686
43
+ 31 CZ 22.9490 -5.9360 15.0130 C.ar 1 HPH -0.0687
44
+ 32 N1 19.3010 0.7580 17.0120 N.4 1 DIQ 0.2562
45
+ 33 CM 20.0660 0.6710 15.8190 C.3 1 DIQ -0.0008
46
+ 34 C2 20.0680 1.4420 18.0620 C.3 1 DIQ 0.0688
47
+ 35 C 21.3690 0.7550 18.3770 C.2 1 DIQ 0.2251
48
+ 36 O 21.4120 -0.4620 18.5070 O.2 1 DIQ -0.3909
49
+ 37 C3 19.2850 1.5310 19.3710 C.3 1 DIQ 0.0113
50
+ 38 C3A 17.9750 2.2900 19.2090 C.3 1 DIQ -0.0261
51
+ 39 C4 17.1590 2.2740 20.5010 C.3 1 DIQ -0.0494
52
+ 40 C5 16.4760 0.9420 20.7850 C.3 1 DIQ -0.0528
53
+ 41 C6 15.6610 0.5000 19.5780 C.3 1 DIQ -0.0526
54
+ 42 C7 16.5840 0.3680 18.3720 C.3 1 DIQ -0.0451
55
+ 43 C7A 17.2210 1.7140 18.0180 C.3 1 DIQ 0.0024
56
+ 44 C8 18.0790 1.5410 16.7690 C.3 1 DIQ -0.0266
57
+ 45 N 22.4050 1.5870 18.5420 N.am 1 QNC -0.2771
58
+ 46 C 23.7600 1.2220 18.9110 C.3 1 QNC 0.0448
59
+ 47 C1 24.6140 2.4910 19.0120 C.3 1 QNC -0.0396
60
+ 48 C2 23.7560 0.5160 20.2620 C.3 1 QNC -0.0396
61
+ 49 C3 24.3100 0.3130 17.8100 C.3 1 QNC -0.0396
62
+ 50 H1 20.2582 -7.5950 10.8463 H 1 QNC 0.0729
63
+ 51 H2 21.6146 -9.6658 10.9819 H 1 QNC 0.0774
64
+ 52 H3 22.6143 -11.3980 12.2663 H 1 QNC 0.0657
65
+ 53 H4 23.0505 -12.4759 14.4562 H 1 QNC 0.0652
66
+ 54 H5 22.1230 -11.4540 16.5100 H 1 QNC 0.0657
67
+ 55 H6 20.7621 -9.4030 16.3890 H 1 QNC 0.0653
68
+ 56 H7 18.7765 -6.0952 14.6639 H 1 QNC 0.1882
69
+ 57 H8 17.5126 -3.8655 13.4780 H 1 QNC 0.0826
70
+ 58 H9 15.8705 -4.0327 15.2853 H 1 QNC 0.0551
71
+ 59 H10 16.5764 -5.6172 15.7519 H 1 QNC 0.0551
72
+ 60 H11 15.0486 -7.3651 13.1205 H 1 QNC 0.1814
73
+ 61 H12 15.8528 -7.3868 14.6543 H 1 QNC 0.1814
74
+ 62 H13 18.6991 -0.3174 14.9428 H 1 QNC 0.0672
75
+ 63 H14 20.8934 0.0285 13.3824 H 1 QNC 0.2101
76
+ 64 H15 20.1025 -1.8233 16.2905 H 1 QNC 0.0606
77
+ 65 H16 19.2768 -2.6582 13.5624 H 1 QNC 0.1857
78
+ 66 H17 22.2742 -1.2539 15.4479 H 1 QNC 0.0449
79
+ 67 H18 21.7557 -1.5194 13.7487 H 1 QNC 0.0449
80
+ 68 H19 22.4666 -3.2259 16.9864 H 1 QNC 0.0557
81
+ 69 H20 21.8531 -3.6424 12.7612 H 1 QNC 0.0557
82
+ 70 H21 23.2046 -5.5904 17.1181 H 1 QNC 0.0599
83
+ 71 H22 22.6003 -6.0029 12.8965 H 1 QNC 0.0599
84
+ 72 H23 23.2783 -6.9675 15.0654 H 1 QNC 0.0559
85
+ 73 H24 19.0565 -0.1704 17.3191 H 1 QNC 0.2057
86
+ 74 H25 19.9786 1.6478 15.3207 H 1 QNC 0.0841
87
+ 75 H26 21.1091 0.5093 16.1286 H 1 QNC 0.0841
88
+ 76 H27 20.2849 2.4605 17.7076 H 1 QNC 0.1100
89
+ 77 H28 19.9036 2.0484 20.1190 H 1 QNC 0.0348
90
+ 78 H29 19.0627 0.5120 19.7205 H 1 QNC 0.0348
91
+ 79 H30 18.2114 3.3403 18.9831 H 1 QNC 0.0309
92
+ 80 H31 16.3845 3.0520 20.4309 H 1 QNC 0.0268
93
+ 81 H32 17.8336 2.5026 21.3392 H 1 QNC 0.0268
94
+ 82 H33 15.8089 1.0536 21.6524 H 1 QNC 0.0265
95
+ 83 H34 17.2399 0.1819 21.0054 H 1 QNC 0.0265
96
+ 84 H35 14.8827 1.2477 19.3656 H 1 QNC 0.0265
97
+ 85 H36 15.1890 -0.4711 19.7882 H 1 QNC 0.0265
98
+ 86 H37 16.0015 0.0084 17.5110 H 1 QNC 0.0270
99
+ 87 H38 17.3789 -0.3558 18.6050 H 1 QNC 0.0270
100
+ 88 H39 16.4147 2.4205 17.7716 H 1 QNC 0.0355
101
+ 89 H40 17.4809 1.0275 16.0019 H 1 QNC 0.0818
102
+ 90 H41 18.3684 2.5369 16.4025 H 1 QNC 0.0818
103
+ 91 H42 22.2266 2.5600 18.3959 H 1 QNC 0.1859
104
+ 92 H43 25.6426 2.2194 19.2916 H 1 QNC 0.0254
105
+ 93 H44 24.1902 3.1583 19.7769 H 1 QNC 0.0254
106
+ 94 H45 24.6221 3.0059 18.0400 H 1 QNC 0.0254
107
+ 95 H46 24.7856 0.2422 20.5356 H 1 QNC 0.0254
108
+ 96 H47 23.1394 -0.3927 20.1990 H 1 QNC 0.0254
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2fgv/2fgv_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2fgv/2fgv_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2g5u/2g5u_ligand.mol2 ADDED
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1
+ ###
2
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+ ###
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2g5u/2g5u_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2g5u/2g5u_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2g79/2g79_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
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+ ###
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37
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46
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48
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49
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50
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51
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54
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55
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56
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57
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58
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2g79/2g79_protein_esmfold_aligned_tr_fix.pdb ADDED
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N PRO A 1 13.424 -10.181 5.585 1.00 0.00 N
3
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4
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5
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6
+ ATOM 5 O PRO A 1 14.181 -7.618 4.690 1.00 0.00 O
7
+ ATOM 6 CG PRO A 1 12.969 -10.472 3.318 1.00 0.00 C
8
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9
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10
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11
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12
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13
+ ATOM 12 O ASN A 2 18.783 -6.920 3.544 1.00 0.00 O
14
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15
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16
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17
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18
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19
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20
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21
+ ATOM 20 O PHE A 3 19.292 -3.920 0.717 1.00 0.00 O
22
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23
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24
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25
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26
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27
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28
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29
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30
+ ATOM 29 C SER A 4 20.713 -2.609 2.897 1.00 0.00 C
31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
+ ATOM 41 O ASN A 6 26.381 -2.845 -0.335 1.00 0.00 O
43
+ ATOM 42 CG ASN A 6 26.198 1.527 0.788 1.00 0.00 C
44
+ ATOM 43 ND2 ASN A 6 26.905 1.937 1.834 1.00 0.00 N
45
+ ATOM 44 OD1 ASN A 6 25.273 2.190 0.310 1.00 0.00 O
46
+ ATOM 45 N TRP A 7 25.430 -1.854 -2.192 1.00 0.00 N
47
+ ATOM 46 CA TRP A 7 25.632 -3.041 -3.014 1.00 0.00 C
48
+ ATOM 47 C TRP A 7 26.565 -2.742 -4.182 1.00 0.00 C
49
+ ATOM 48 CB TRP A 7 24.292 -3.569 -3.536 1.00 0.00 C
50
+ ATOM 49 O TRP A 7 26.529 -1.647 -4.749 1.00 0.00 O
51
+ ATOM 50 CG TRP A 7 23.345 -4.000 -2.457 1.00 0.00 C
52
+ ATOM 51 CD1 TRP A 7 22.449 -3.216 -1.785 1.00 0.00 C
53
+ ATOM 52 CD2 TRP A 7 23.204 -5.319 -1.921 1.00 0.00 C
54
+ ATOM 53 CE2 TRP A 7 22.202 -5.262 -0.927 1.00 0.00 C
55
+ ATOM 54 CE3 TRP A 7 23.828 -6.545 -2.186 1.00 0.00 C
56
+ ATOM 55 NE1 TRP A 7 21.759 -3.969 -0.865 1.00 0.00 N
57
+ ATOM 56 CH2 TRP A 7 22.436 -7.574 -0.476 1.00 0.00 C
58
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59
+ ATOM 58 CZ3 TRP A 7 23.436 -7.663 -1.459 1.00 0.00 C
60
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61
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62
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63
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64
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65
+ ATOM 64 CG LYS A 8 30.238 -4.959 -4.569 1.00 0.00 C
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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74
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75
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76
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77
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78
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79
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80
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81
+ ATOM 80 O ILE A 10 30.442 -10.034 -11.463 1.00 0.00 O
82
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83
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84
+ ATOM 83 CD1 ILE A 10 28.791 -11.651 -7.380 1.00 0.00 C
85
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86
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87
+ ATOM 86 C ARG A 11 26.880 -9.237 -13.280 1.00 0.00 C
88
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89
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90
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91
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92
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93
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94
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95
+ ATOM 94 CZ ARG A 11 25.761 -15.149 -12.285 1.00 0.00 C
96
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97
+ ATOM 96 CA SER A 12 25.836 -8.631 -15.387 1.00 0.00 C
98
+ ATOM 97 C SER A 12 25.721 -9.433 -16.678 1.00 0.00 C
99
+ ATOM 98 CB SER A 12 26.092 -7.159 -15.711 1.00 0.00 C
100
+ ATOM 99 O SER A 12 26.705 -9.597 -17.403 1.00 0.00 O
101
+ ATOM 100 OG SER A 12 25.047 -6.631 -16.509 1.00 0.00 O
102
+ ATOM 101 N GLU A 13 24.517 -9.948 -16.956 1.00 0.00 N
103
+ ATOM 102 CA GLU A 13 24.291 -10.783 -18.132 1.00 0.00 C
104
+ ATOM 103 C GLU A 13 23.172 -10.219 -19.003 1.00 0.00 C
105
+ ATOM 104 CB GLU A 13 23.961 -12.219 -17.716 1.00 0.00 C
106
+ ATOM 105 O GLU A 13 22.103 -9.867 -18.499 1.00 0.00 O
107
+ ATOM 106 CG GLU A 13 25.069 -12.900 -16.925 1.00 0.00 C
108
+ ATOM 107 CD GLU A 13 24.687 -14.286 -16.430 1.00 0.00 C
109
+ ATOM 108 OE1 GLU A 13 23.536 -14.720 -16.666 1.00 0.00 O
110
+ ATOM 109 OE2 GLU A 13 25.545 -14.943 -15.800 1.00 0.00 O
111
+ ATOM 110 N ASN A 14 23.379 -10.193 -20.296 1.00 0.00 N
112
+ ATOM 111 CA ASN A 14 22.422 -9.916 -21.362 1.00 0.00 C
113
+ ATOM 112 C ASN A 14 21.873 -8.495 -21.267 1.00 0.00 C
114
+ ATOM 113 CB ASN A 14 21.277 -10.930 -21.331 1.00 0.00 C
115
+ ATOM 114 O ASN A 14 20.772 -8.217 -21.745 1.00 0.00 O
116
+ ATOM 115 CG ASN A 14 21.706 -12.310 -21.791 1.00 0.00 C
117
+ ATOM 116 ND2 ASN A 14 21.010 -13.336 -21.317 1.00 0.00 N
118
+ ATOM 117 OD1 ASN A 14 22.656 -12.452 -22.565 1.00 0.00 O
119
+ ATOM 118 N PHE A 15 22.610 -7.563 -20.625 1.00 0.00 N
120
+ ATOM 119 CA PHE A 15 22.130 -6.193 -20.486 1.00 0.00 C
121
+ ATOM 120 C PHE A 15 22.048 -5.507 -21.845 1.00 0.00 C
122
+ ATOM 121 CB PHE A 15 23.043 -5.395 -19.550 1.00 0.00 C
123
+ ATOM 122 O PHE A 15 21.070 -4.819 -22.141 1.00 0.00 O
124
+ ATOM 123 CG PHE A 15 22.525 -4.020 -19.226 1.00 0.00 C
125
+ ATOM 124 CD1 PHE A 15 21.204 -3.832 -18.837 1.00 0.00 C
126
+ ATOM 125 CD2 PHE A 15 23.361 -2.913 -19.308 1.00 0.00 C
127
+ ATOM 126 CE1 PHE A 15 20.723 -2.560 -18.537 1.00 0.00 C
128
+ ATOM 127 CE2 PHE A 15 22.887 -1.639 -19.008 1.00 0.00 C
129
+ ATOM 128 CZ PHE A 15 21.567 -1.464 -18.624 1.00 0.00 C
130
+ ATOM 129 N GLU A 16 23.060 -5.716 -22.724 1.00 0.00 N
131
+ ATOM 130 CA GLU A 16 23.024 -5.092 -24.044 1.00 0.00 C
132
+ ATOM 131 C GLU A 16 21.840 -5.597 -24.862 1.00 0.00 C
133
+ ATOM 132 CB GLU A 16 24.333 -5.351 -24.796 1.00 0.00 C
134
+ ATOM 133 O GLU A 16 21.170 -4.817 -25.541 1.00 0.00 O
135
+ ATOM 134 CG GLU A 16 24.449 -4.587 -26.107 1.00 0.00 C
136
+ ATOM 135 CD GLU A 16 25.805 -4.748 -26.776 1.00 0.00 C
137
+ ATOM 136 OE1 GLU A 16 26.710 -5.369 -26.174 1.00 0.00 O
138
+ ATOM 137 OE2 GLU A 16 25.965 -4.245 -27.912 1.00 0.00 O
139
+ ATOM 138 N GLU A 17 21.539 -6.889 -24.743 1.00 0.00 N
140
+ ATOM 139 CA GLU A 17 20.415 -7.470 -25.469 1.00 0.00 C
141
+ ATOM 140 C GLU A 17 19.086 -6.905 -24.974 1.00 0.00 C
142
+ ATOM 141 CB GLU A 17 20.419 -8.996 -25.336 1.00 0.00 C
143
+ ATOM 142 O GLU A 17 18.164 -6.690 -25.763 1.00 0.00 O
144
+ ATOM 143 CG GLU A 17 21.541 -9.676 -26.107 1.00 0.00 C
145
+ ATOM 144 CD GLU A 17 22.828 -9.803 -25.307 1.00 0.00 C
146
+ ATOM 145 OE1 GLU A 17 22.945 -9.159 -24.240 1.00 0.00 O
147
+ ATOM 146 OE2 GLU A 17 23.727 -10.552 -25.752 1.00 0.00 O
148
+ ATOM 147 N LEU A 18 19.035 -6.691 -23.672 1.00 0.00 N
149
+ ATOM 148 CA LEU A 18 17.843 -6.064 -23.112 1.00 0.00 C
150
+ ATOM 149 C LEU A 18 17.645 -4.665 -23.686 1.00 0.00 C
151
+ ATOM 150 CB LEU A 18 17.940 -5.994 -21.587 1.00 0.00 C
152
+ ATOM 151 O LEU A 18 16.540 -4.310 -24.101 1.00 0.00 O
153
+ ATOM 152 CG LEU A 18 16.695 -5.497 -20.850 1.00 0.00 C
154
+ ATOM 153 CD1 LEU A 18 15.664 -6.616 -20.741 1.00 0.00 C
155
+ ATOM 154 CD2 LEU A 18 17.065 -4.968 -19.469 1.00 0.00 C
156
+ ATOM 155 N LEU A 19 18.705 -3.921 -23.743 1.00 0.00 N
157
+ ATOM 156 CA LEU A 19 18.616 -2.566 -24.277 1.00 0.00 C
158
+ ATOM 157 C LEU A 19 18.226 -2.588 -25.751 1.00 0.00 C
159
+ ATOM 158 CB LEU A 19 19.946 -1.830 -24.099 1.00 0.00 C
160
+ ATOM 159 O LEU A 19 17.461 -1.736 -26.209 1.00 0.00 O
161
+ ATOM 160 CG LEU A 19 20.361 -1.517 -22.660 1.00 0.00 C
162
+ ATOM 161 CD1 LEU A 19 21.784 -0.970 -22.626 1.00 0.00 C
163
+ ATOM 162 CD2 LEU A 19 19.387 -0.532 -22.025 1.00 0.00 C
164
+ ATOM 163 N LYS A 20 18.725 -3.505 -26.432 1.00 0.00 N
165
+ ATOM 164 CA LYS A 20 18.406 -3.650 -27.850 1.00 0.00 C
166
+ ATOM 165 C LYS A 20 16.914 -3.893 -28.055 1.00 0.00 C
167
+ ATOM 166 CB LYS A 20 19.213 -4.793 -28.467 1.00 0.00 C
168
+ ATOM 167 O LYS A 20 16.286 -3.254 -28.901 1.00 0.00 O
169
+ ATOM 168 CG LYS A 20 18.992 -4.969 -29.963 1.00 0.00 C
170
+ ATOM 169 CD LYS A 20 19.812 -6.127 -30.516 1.00 0.00 C
171
+ ATOM 170 CE LYS A 20 19.503 -6.381 -31.985 1.00 0.00 C
172
+ ATOM 171 NZ LYS A 20 20.265 -7.550 -32.518 1.00 0.00 N
173
+ ATOM 172 N VAL A 21 16.322 -4.777 -27.304 1.00 0.00 N
174
+ ATOM 173 CA VAL A 21 14.905 -5.101 -27.423 1.00 0.00 C
175
+ ATOM 174 C VAL A 21 14.062 -3.889 -27.035 1.00 0.00 C
176
+ ATOM 175 CB VAL A 21 14.525 -6.317 -26.548 1.00 0.00 C
177
+ ATOM 176 O VAL A 21 12.960 -3.700 -27.554 1.00 0.00 O
178
+ ATOM 177 CG1 VAL A 21 13.008 -6.437 -26.420 1.00 0.00 C
179
+ ATOM 178 CG2 VAL A 21 15.119 -7.599 -27.129 1.00 0.00 C
180
+ ATOM 179 N LEU A 22 14.603 -3.083 -26.170 1.00 0.00 N
181
+ ATOM 180 CA LEU A 22 13.886 -1.896 -25.717 1.00 0.00 C
182
+ ATOM 181 C LEU A 22 14.002 -0.768 -26.737 1.00 0.00 C
183
+ ATOM 182 CB LEU A 22 14.423 -1.431 -24.361 1.00 0.00 C
184
+ ATOM 183 O LEU A 22 13.447 0.315 -26.538 1.00 0.00 O
185
+ ATOM 184 CG LEU A 22 14.111 -2.330 -23.163 1.00 0.00 C
186
+ ATOM 185 CD1 LEU A 22 14.907 -1.882 -21.942 1.00 0.00 C
187
+ ATOM 186 CD2 LEU A 22 12.615 -2.324 -22.866 1.00 0.00 C
188
+ ATOM 187 N GLY A 23 14.801 -0.994 -27.788 1.00 0.00 N
189
+ ATOM 188 CA GLY A 23 14.883 -0.057 -28.897 1.00 0.00 C
190
+ ATOM 189 C GLY A 23 15.987 0.970 -28.731 1.00 0.00 C
191
+ ATOM 190 O GLY A 23 15.999 1.992 -29.420 1.00 0.00 O
192
+ ATOM 191 N VAL A 24 16.871 0.784 -27.803 1.00 0.00 N
193
+ ATOM 192 CA VAL A 24 17.984 1.704 -27.588 1.00 0.00 C
194
+ ATOM 193 C VAL A 24 19.005 1.554 -28.715 1.00 0.00 C
195
+ ATOM 194 CB VAL A 24 18.661 1.466 -26.220 1.00 0.00 C
196
+ ATOM 195 O VAL A 24 19.400 0.436 -29.057 1.00 0.00 O
197
+ ATOM 196 CG1 VAL A 24 19.751 2.506 -25.969 1.00 0.00 C
198
+ ATOM 197 CG2 VAL A 24 17.623 1.494 -25.100 1.00 0.00 C
199
+ ATOM 198 N ASN A 25 19.368 2.648 -29.313 1.00 0.00 N
200
+ ATOM 199 CA ASN A 25 20.294 2.593 -30.439 1.00 0.00 C
201
+ ATOM 200 C ASN A 25 21.680 2.126 -30.003 1.00 0.00 C
202
+ ATOM 201 CB ASN A 25 20.385 3.955 -31.128 1.00 0.00 C
203
+ ATOM 202 O ASN A 25 22.008 2.166 -28.815 1.00 0.00 O
204
+ ATOM 203 CG ASN A 25 21.036 5.009 -30.255 1.00 0.00 C
205
+ ATOM 204 ND2 ASN A 25 20.315 6.093 -29.995 1.00 0.00 N
206
+ ATOM 205 OD1 ASN A 25 22.180 4.850 -29.818 1.00 0.00 O
207
+ ATOM 206 N VAL A 26 22.478 1.705 -30.905 1.00 0.00 N
208
+ ATOM 207 CA VAL A 26 23.727 0.987 -30.670 1.00 0.00 C
209
+ ATOM 208 C VAL A 26 24.689 1.869 -29.879 1.00 0.00 C
210
+ ATOM 209 CB VAL A 26 24.381 0.540 -31.996 1.00 0.00 C
211
+ ATOM 210 O VAL A 26 25.342 1.402 -28.941 1.00 0.00 O
212
+ ATOM 211 CG1 VAL A 26 25.804 0.038 -31.754 1.00 0.00 C
213
+ ATOM 212 CG2 VAL A 26 23.537 -0.541 -32.670 1.00 0.00 C
214
+ ATOM 213 N MET A 27 24.833 3.137 -30.238 1.00 0.00 N
215
+ ATOM 214 CA MET A 27 25.755 4.032 -29.546 1.00 0.00 C
216
+ ATOM 215 C MET A 27 25.359 4.198 -28.084 1.00 0.00 C
217
+ ATOM 216 CB MET A 27 25.799 5.399 -30.235 1.00 0.00 C
218
+ ATOM 217 O MET A 27 26.210 4.147 -27.195 1.00 0.00 O
219
+ ATOM 218 CG MET A 27 26.870 6.327 -29.687 1.00 0.00 C
220
+ ATOM 219 SD MET A 27 26.862 7.969 -30.505 1.00 0.00 S
221
+ ATOM 220 CE MET A 27 27.593 7.534 -32.107 1.00 0.00 C
222
+ ATOM 221 N LEU A 28 24.122 4.411 -27.820 1.00 0.00 N
223
+ ATOM 222 CA LEU A 28 23.629 4.594 -26.459 1.00 0.00 C
224
+ ATOM 223 C LEU A 28 23.728 3.295 -25.665 1.00 0.00 C
225
+ ATOM 224 CB LEU A 28 22.179 5.085 -26.475 1.00 0.00 C
226
+ ATOM 225 O LEU A 28 23.962 3.319 -24.455 1.00 0.00 O
227
+ ATOM 226 CG LEU A 28 21.958 6.532 -26.919 1.00 0.00 C
228
+ ATOM 227 CD1 LEU A 28 20.469 6.860 -26.938 1.00 0.00 C
229
+ ATOM 228 CD2 LEU A 28 22.711 7.493 -26.005 1.00 0.00 C
230
+ ATOM 229 N ARG A 29 23.579 2.169 -26.335 1.00 0.00 N
231
+ ATOM 230 CA ARG A 29 23.728 0.903 -25.627 1.00 0.00 C
232
+ ATOM 231 C ARG A 29 25.158 0.718 -25.131 1.00 0.00 C
233
+ ATOM 232 CB ARG A 29 23.330 -0.268 -26.528 1.00 0.00 C
234
+ ATOM 233 O ARG A 29 25.377 0.285 -23.998 1.00 0.00 O
235
+ ATOM 234 CG ARG A 29 21.852 -0.299 -26.882 1.00 0.00 C
236
+ ATOM 235 CD ARG A 29 21.425 -1.664 -27.403 1.00 0.00 C
237
+ ATOM 236 NE ARG A 29 22.165 -2.036 -28.606 1.00 0.00 N
238
+ ATOM 237 NH1 ARG A 29 20.717 -0.989 -30.071 1.00 0.00 N
239
+ ATOM 238 NH2 ARG A 29 22.558 -2.099 -30.867 1.00 0.00 N
240
+ ATOM 239 CZ ARG A 29 21.812 -1.708 -29.845 1.00 0.00 C
241
+ ATOM 240 N LYS A 30 26.119 1.142 -25.954 1.00 0.00 N
242
+ ATOM 241 CA LYS A 30 27.519 1.011 -25.558 1.00 0.00 C
243
+ ATOM 242 C LYS A 30 27.835 1.897 -24.356 1.00 0.00 C
244
+ ATOM 243 CB LYS A 30 28.442 1.363 -26.726 1.00 0.00 C
245
+ ATOM 244 O LYS A 30 28.538 1.476 -23.436 1.00 0.00 O
246
+ ATOM 245 CG LYS A 30 28.448 0.329 -27.842 1.00 0.00 C
247
+ ATOM 246 CD LYS A 30 29.443 0.695 -28.937 1.00 0.00 C
248
+ ATOM 247 CE LYS A 30 29.454 -0.342 -30.052 1.00 0.00 C
249
+ ATOM 248 NZ LYS A 30 30.421 0.018 -31.132 1.00 0.00 N
250
+ ATOM 249 N ILE A 31 27.288 3.042 -24.389 1.00 0.00 N
251
+ ATOM 250 CA ILE A 31 27.492 3.981 -23.291 1.00 0.00 C
252
+ ATOM 251 C ILE A 31 26.836 3.442 -22.021 1.00 0.00 C
253
+ ATOM 252 CB ILE A 31 26.928 5.379 -23.632 1.00 0.00 C
254
+ ATOM 253 O ILE A 31 27.433 3.479 -20.943 1.00 0.00 O
255
+ ATOM 254 CG1 ILE A 31 27.757 6.032 -24.745 1.00 0.00 C
256
+ ATOM 255 CG2 ILE A 31 26.893 6.266 -22.384 1.00 0.00 C
257
+ ATOM 256 CD1 ILE A 31 27.124 7.285 -25.334 1.00 0.00 C
258
+ ATOM 257 N ALA A 32 25.631 2.916 -22.186 1.00 0.00 N
259
+ ATOM 258 CA ALA A 32 24.891 2.391 -21.041 1.00 0.00 C
260
+ ATOM 259 C ALA A 32 25.601 1.182 -20.438 1.00 0.00 C
261
+ ATOM 260 CB ALA A 32 23.469 2.020 -21.450 1.00 0.00 C
262
+ ATOM 261 O ALA A 32 25.679 1.046 -19.214 1.00 0.00 O
263
+ ATOM 262 N VAL A 33 26.085 0.296 -21.259 1.00 0.00 N
264
+ ATOM 263 CA VAL A 33 26.774 -0.902 -20.792 1.00 0.00 C
265
+ ATOM 264 C VAL A 33 28.051 -0.509 -20.056 1.00 0.00 C
266
+ ATOM 265 CB VAL A 33 27.103 -1.858 -21.961 1.00 0.00 C
267
+ ATOM 266 O VAL A 33 28.352 -1.051 -18.989 1.00 0.00 O
268
+ ATOM 267 CG1 VAL A 33 28.070 -2.951 -21.507 1.00 0.00 C
269
+ ATOM 268 CG2 VAL A 33 25.824 -2.472 -22.525 1.00 0.00 C
270
+ ATOM 269 N ALA A 34 28.750 0.477 -20.595 1.00 0.00 N
271
+ ATOM 270 CA ALA A 34 29.974 0.950 -19.953 1.00 0.00 C
272
+ ATOM 271 C ALA A 34 29.670 1.601 -18.607 1.00 0.00 C
273
+ ATOM 272 CB ALA A 34 30.707 1.933 -20.864 1.00 0.00 C
274
+ ATOM 273 O ALA A 34 30.365 1.350 -17.619 1.00 0.00 O
275
+ ATOM 274 N ALA A 35 28.684 2.388 -18.585 1.00 0.00 N
276
+ ATOM 275 CA ALA A 35 28.278 3.102 -17.378 1.00 0.00 C
277
+ ATOM 276 C ALA A 35 27.793 2.132 -16.303 1.00 0.00 C
278
+ ATOM 277 CB ALA A 35 27.187 4.120 -17.702 1.00 0.00 C
279
+ ATOM 278 O ALA A 35 27.977 2.377 -15.109 1.00 0.00 O
280
+ ATOM 279 N ALA A 36 27.221 1.069 -16.727 1.00 0.00 N
281
+ ATOM 280 CA ALA A 36 26.608 0.108 -15.813 1.00 0.00 C
282
+ ATOM 281 C ALA A 36 27.633 -0.910 -15.321 1.00 0.00 C
283
+ ATOM 282 CB ALA A 36 25.440 -0.603 -16.491 1.00 0.00 C
284
+ ATOM 283 O ALA A 36 27.281 -1.871 -14.632 1.00 0.00 O
285
+ ATOM 284 N SER A 37 28.910 -0.793 -15.653 1.00 0.00 N
286
+ ATOM 285 CA SER A 37 29.938 -1.756 -15.269 1.00 0.00 C
287
+ ATOM 286 C SER A 37 30.306 -1.615 -13.797 1.00 0.00 C
288
+ ATOM 287 CB SER A 37 31.187 -1.579 -16.135 1.00 0.00 C
289
+ ATOM 288 O SER A 37 30.762 -2.574 -13.171 1.00 0.00 O
290
+ ATOM 289 OG SER A 37 31.757 -0.296 -15.939 1.00 0.00 O
291
+ ATOM 290 N LYS A 38 30.045 -0.423 -13.226 1.00 0.00 N
292
+ ATOM 291 CA LYS A 38 30.324 -0.258 -11.802 1.00 0.00 C
293
+ ATOM 292 C LYS A 38 29.318 0.685 -11.150 1.00 0.00 C
294
+ ATOM 293 CB LYS A 38 31.746 0.266 -11.590 1.00 0.00 C
295
+ ATOM 294 O LYS A 38 29.696 1.723 -10.602 1.00 0.00 O
296
+ ATOM 295 CG LYS A 38 32.833 -0.686 -12.067 1.00 0.00 C
297
+ ATOM 296 CD LYS A 38 34.223 -0.111 -11.828 1.00 0.00 C
298
+ ATOM 297 CE LYS A 38 35.309 -1.019 -12.389 1.00 0.00 C
299
+ ATOM 298 NZ LYS A 38 36.672 -0.443 -12.188 1.00 0.00 N
300
+ ATOM 299 N PRO A 39 28.153 0.118 -11.096 1.00 0.00 N
301
+ ATOM 300 CA PRO A 39 27.163 0.976 -10.439 1.00 0.00 C
302
+ ATOM 301 C PRO A 39 27.265 0.935 -8.916 1.00 0.00 C
303
+ ATOM 302 CB PRO A 39 25.826 0.402 -10.913 1.00 0.00 C
304
+ ATOM 303 O PRO A 39 27.679 -0.080 -8.349 1.00 0.00 O
305
+ ATOM 304 CG PRO A 39 26.083 -1.059 -11.098 1.00 0.00 C
306
+ ATOM 305 CD PRO A 39 27.490 -1.237 -11.593 1.00 0.00 C
307
+ ATOM 306 N ALA A 40 27.041 2.040 -8.309 1.00 0.00 N
308
+ ATOM 307 CA ALA A 40 26.817 2.060 -6.866 1.00 0.00 C
309
+ ATOM 308 C ALA A 40 25.327 1.987 -6.542 1.00 0.00 C
310
+ ATOM 309 CB ALA A 40 27.432 3.313 -6.249 1.00 0.00 C
311
+ ATOM 310 O ALA A 40 24.544 2.821 -7.002 1.00 0.00 O
312
+ ATOM 311 N VAL A 41 24.956 0.931 -5.802 1.00 0.00 N
313
+ ATOM 312 CA VAL A 41 23.547 0.763 -5.461 1.00 0.00 C
314
+ ATOM 313 C VAL A 41 23.364 0.870 -3.949 1.00 0.00 C
315
+ ATOM 314 CB VAL A 41 22.999 -0.589 -5.971 1.00 0.00 C
316
+ ATOM 315 O VAL A 41 24.029 0.165 -3.186 1.00 0.00 O
317
+ ATOM 316 CG1 VAL A 41 21.528 -0.754 -5.589 1.00 0.00 C
318
+ ATOM 317 CG2 VAL A 41 23.177 -0.701 -7.483 1.00 0.00 C
319
+ ATOM 318 N GLU A 42 22.558 1.805 -3.540 1.00 0.00 N
320
+ ATOM 319 CA GLU A 42 22.155 1.970 -2.148 1.00 0.00 C
321
+ ATOM 320 C GLU A 42 20.670 1.672 -1.964 1.00 0.00 C
322
+ ATOM 321 CB GLU A 42 22.472 3.385 -1.659 1.00 0.00 C
323
+ ATOM 322 O GLU A 42 19.824 2.265 -2.638 1.00 0.00 O
324
+ ATOM 323 CG GLU A 42 22.146 3.617 -0.191 1.00 0.00 C
325
+ ATOM 324 CD GLU A 42 22.403 5.045 0.262 1.00 0.00 C
326
+ ATOM 325 OE1 GLU A 42 22.813 5.883 -0.573 1.00 0.00 O
327
+ ATOM 326 OE2 GLU A 42 22.194 5.329 1.463 1.00 0.00 O
328
+ ATOM 327 N ILE A 43 20.375 0.783 -1.066 1.00 0.00 N
329
+ ATOM 328 CA ILE A 43 18.991 0.436 -0.759 1.00 0.00 C
330
+ ATOM 329 C ILE A 43 18.693 0.752 0.704 1.00 0.00 C
331
+ ATOM 330 CB ILE A 43 18.703 -1.052 -1.057 1.00 0.00 C
332
+ ATOM 331 O ILE A 43 19.441 0.348 1.597 1.00 0.00 O
333
+ ATOM 332 CG1 ILE A 43 18.972 -1.364 -2.534 1.00 0.00 C
334
+ ATOM 333 CG2 ILE A 43 17.263 -1.410 -0.676 1.00 0.00 C
335
+ ATOM 334 CD1 ILE A 43 18.739 -2.820 -2.912 1.00 0.00 C
336
+ ATOM 335 N LYS A 44 17.658 1.480 0.944 1.00 0.00 N
337
+ ATOM 336 CA LYS A 44 17.081 1.678 2.270 1.00 0.00 C
338
+ ATOM 337 C LYS A 44 15.685 1.069 2.359 1.00 0.00 C
339
+ ATOM 338 CB LYS A 44 17.026 3.167 2.614 1.00 0.00 C
340
+ ATOM 339 O LYS A 44 14.839 1.314 1.497 1.00 0.00 O
341
+ ATOM 340 CG LYS A 44 18.385 3.853 2.619 1.00 0.00 C
342
+ ATOM 341 CD LYS A 44 18.258 5.343 2.908 1.00 0.00 C
343
+ ATOM 342 CE LYS A 44 19.606 6.047 2.822 1.00 0.00 C
344
+ ATOM 343 NZ LYS A 44 19.474 7.521 3.018 1.00 0.00 N
345
+ ATOM 344 N GLN A 45 15.517 0.311 3.380 1.00 0.00 N
346
+ ATOM 345 CA GLN A 45 14.251 -0.375 3.613 1.00 0.00 C
347
+ ATOM 346 C GLN A 45 13.718 -0.085 5.014 1.00 0.00 C
348
+ ATOM 347 CB GLN A 45 14.413 -1.883 3.415 1.00 0.00 C
349
+ ATOM 348 O GLN A 45 14.455 -0.189 5.997 1.00 0.00 O
350
+ ATOM 349 CG GLN A 45 13.131 -2.673 3.640 1.00 0.00 C
351
+ ATOM 350 CD GLN A 45 13.330 -4.169 3.491 1.00 0.00 C
352
+ ATOM 351 NE2 GLN A 45 12.248 -4.929 3.629 1.00 0.00 N
353
+ ATOM 352 OE1 GLN A 45 14.447 -4.640 3.252 1.00 0.00 O
354
+ ATOM 353 N GLU A 46 12.606 0.385 5.072 1.00 0.00 N
355
+ ATOM 354 CA GLU A 46 11.806 0.461 6.291 1.00 0.00 C
356
+ ATOM 355 C GLU A 46 10.478 -0.272 6.125 1.00 0.00 C
357
+ ATOM 356 CB GLU A 46 11.555 1.921 6.679 1.00 0.00 C
358
+ ATOM 357 O GLU A 46 9.551 0.246 5.500 1.00 0.00 O
359
+ ATOM 358 CG GLU A 46 10.958 2.094 8.068 1.00 0.00 C
360
+ ATOM 359 CD GLU A 46 10.797 3.550 8.475 1.00 0.00 C
361
+ ATOM 360 OE1 GLU A 46 11.189 4.445 7.693 1.00 0.00 O
362
+ ATOM 361 OE2 GLU A 46 10.275 3.797 9.585 1.00 0.00 O
363
+ ATOM 362 N GLY A 47 10.391 -1.469 6.751 1.00 0.00 N
364
+ ATOM 363 CA GLY A 47 9.223 -2.296 6.491 1.00 0.00 C
365
+ ATOM 364 C GLY A 47 9.013 -2.585 5.016 1.00 0.00 C
366
+ ATOM 365 O GLY A 47 9.868 -3.192 4.369 1.00 0.00 O
367
+ ATOM 366 N ASP A 48 7.897 -2.138 4.472 1.00 0.00 N
368
+ ATOM 367 CA ASP A 48 7.548 -2.403 3.080 1.00 0.00 C
369
+ ATOM 368 C ASP A 48 7.867 -1.201 2.195 1.00 0.00 C
370
+ ATOM 369 CB ASP A 48 6.067 -2.769 2.957 1.00 0.00 C
371
+ ATOM 370 O ASP A 48 7.502 -1.176 1.017 1.00 0.00 O
372
+ ATOM 371 CG ASP A 48 5.768 -4.190 3.405 1.00 0.00 C
373
+ ATOM 372 OD1 ASP A 48 6.690 -5.035 3.409 1.00 0.00 O
374
+ ATOM 373 OD2 ASP A 48 4.601 -4.466 3.755 1.00 0.00 O
375
+ ATOM 374 N THR A 49 8.511 -0.267 2.798 1.00 0.00 N
376
+ ATOM 375 CA THR A 49 8.902 0.924 2.052 1.00 0.00 C
377
+ ATOM 376 C THR A 49 10.371 0.850 1.645 1.00 0.00 C
378
+ ATOM 377 CB THR A 49 8.657 2.202 2.874 1.00 0.00 C
379
+ ATOM 378 O THR A 49 11.234 0.542 2.469 1.00 0.00 O
380
+ ATOM 379 CG2 THR A 49 9.002 3.450 2.067 1.00 0.00 C
381
+ ATOM 380 OG1 THR A 49 7.277 2.261 3.256 1.00 0.00 O
382
+ ATOM 381 N PHE A 50 10.618 1.187 0.436 1.00 0.00 N
383
+ ATOM 382 CA PHE A 50 11.965 1.061 -0.108 1.00 0.00 C
384
+ ATOM 383 C PHE A 50 12.405 2.362 -0.770 1.00 0.00 C
385
+ ATOM 384 CB PHE A 50 12.034 -0.090 -1.117 1.00 0.00 C
386
+ ATOM 385 O PHE A 50 11.592 3.062 -1.377 1.00 0.00 O
387
+ ATOM 386 CG PHE A 50 12.028 -1.454 -0.482 1.00 0.00 C
388
+ ATOM 387 CD1 PHE A 50 13.203 -2.188 -0.368 1.00 0.00 C
389
+ ATOM 388 CD2 PHE A 50 10.848 -2.003 0.001 1.00 0.00 C
390
+ ATOM 389 CE1 PHE A 50 13.201 -3.451 0.219 1.00 0.00 C
391
+ ATOM 390 CE2 PHE A 50 10.837 -3.265 0.590 1.00 0.00 C
392
+ ATOM 391 CZ PHE A 50 12.015 -3.988 0.696 1.00 0.00 C
393
+ ATOM 392 N TYR A 51 13.596 2.700 -0.595 1.00 0.00 N
394
+ ATOM 393 CA TYR A 51 14.347 3.717 -1.322 1.00 0.00 C
395
+ ATOM 394 C TYR A 51 15.594 3.120 -1.963 1.00 0.00 C
396
+ ATOM 395 CB TYR A 51 14.738 4.866 -0.388 1.00 0.00 C
397
+ ATOM 396 O TYR A 51 16.456 2.574 -1.269 1.00 0.00 O
398
+ ATOM 397 CG TYR A 51 15.656 5.881 -1.027 1.00 0.00 C
399
+ ATOM 398 CD1 TYR A 51 15.156 6.857 -1.886 1.00 0.00 C
400
+ ATOM 399 CD2 TYR A 51 17.023 5.866 -0.773 1.00 0.00 C
401
+ ATOM 400 CE1 TYR A 51 15.997 7.793 -2.479 1.00 0.00 C
402
+ ATOM 401 CE2 TYR A 51 17.873 6.797 -1.360 1.00 0.00 C
403
+ ATOM 402 OH TYR A 51 18.190 8.680 -2.793 1.00 0.00 O
404
+ ATOM 403 CZ TYR A 51 17.352 7.756 -2.209 1.00 0.00 C
405
+ ATOM 404 N ILE A 52 15.665 3.237 -3.282 1.00 0.00 N
406
+ ATOM 405 CA ILE A 52 16.797 2.671 -4.009 1.00 0.00 C
407
+ ATOM 406 C ILE A 52 17.474 3.761 -4.838 1.00 0.00 C
408
+ ATOM 407 CB ILE A 52 16.357 1.502 -4.917 1.00 0.00 C
409
+ ATOM 408 O ILE A 52 16.820 4.445 -5.628 1.00 0.00 O
410
+ ATOM 409 CG1 ILE A 52 15.640 0.427 -4.094 1.00 0.00 C
411
+ ATOM 410 CG2 ILE A 52 17.561 0.911 -5.658 1.00 0.00 C
412
+ ATOM 411 CD1 ILE A 52 15.146 -0.757 -4.915 1.00 0.00 C
413
+ ATOM 412 N LYS A 53 18.756 3.887 -4.631 1.00 0.00 N
414
+ ATOM 413 CA LYS A 53 19.588 4.818 -5.388 1.00 0.00 C
415
+ ATOM 414 C LYS A 53 20.666 4.077 -6.174 1.00 0.00 C
416
+ ATOM 415 CB LYS A 53 20.232 5.845 -4.455 1.00 0.00 C
417
+ ATOM 416 O LYS A 53 21.506 3.388 -5.590 1.00 0.00 O
418
+ ATOM 417 CG LYS A 53 21.014 6.933 -5.176 1.00 0.00 C
419
+ ATOM 418 CD LYS A 53 21.628 7.924 -4.196 1.00 0.00 C
420
+ ATOM 419 CE LYS A 53 22.403 9.017 -4.917 1.00 0.00 C
421
+ ATOM 420 NZ LYS A 53 22.932 10.041 -3.966 1.00 0.00 N
422
+ ATOM 421 N THR A 54 20.576 4.223 -7.471 1.00 0.00 N
423
+ ATOM 422 CA THR A 54 21.585 3.657 -8.360 1.00 0.00 C
424
+ ATOM 423 C THR A 54 22.394 4.762 -9.033 1.00 0.00 C
425
+ ATOM 424 CB THR A 54 20.943 2.759 -9.433 1.00 0.00 C
426
+ ATOM 425 O THR A 54 21.835 5.607 -9.736 1.00 0.00 O
427
+ ATOM 426 CG2 THR A 54 22.006 2.088 -10.297 1.00 0.00 C
428
+ ATOM 427 OG1 THR A 54 20.155 1.749 -8.794 1.00 0.00 O
429
+ ATOM 428 N SER A 55 23.645 4.710 -8.779 1.00 0.00 N
430
+ ATOM 429 CA SER A 55 24.533 5.725 -9.336 1.00 0.00 C
431
+ ATOM 430 C SER A 55 25.559 5.106 -10.280 1.00 0.00 C
432
+ ATOM 431 CB SER A 55 25.249 6.483 -8.218 1.00 0.00 C
433
+ ATOM 432 O SER A 55 26.230 4.135 -9.925 1.00 0.00 O
434
+ ATOM 433 OG SER A 55 24.316 7.093 -7.345 1.00 0.00 O
435
+ ATOM 434 N THR A 56 25.550 5.629 -11.454 1.00 0.00 N
436
+ ATOM 435 CA THR A 56 26.598 5.323 -12.421 1.00 0.00 C
437
+ ATOM 436 C THR A 56 27.404 6.574 -12.758 1.00 0.00 C
438
+ ATOM 437 CB THR A 56 26.011 4.724 -13.712 1.00 0.00 C
439
+ ATOM 438 O THR A 56 27.145 7.651 -12.217 1.00 0.00 O
440
+ ATOM 439 CG2 THR A 56 25.025 3.603 -13.398 1.00 0.00 C
441
+ ATOM 440 OG1 THR A 56 25.331 5.752 -14.443 1.00 0.00 O
442
+ ATOM 441 N THR A 57 28.415 6.417 -13.649 1.00 0.00 N
443
+ ATOM 442 CA THR A 57 29.226 7.562 -14.051 1.00 0.00 C
444
+ ATOM 443 C THR A 57 28.413 8.527 -14.909 1.00 0.00 C
445
+ ATOM 444 CB THR A 57 30.480 7.113 -14.825 1.00 0.00 C
446
+ ATOM 445 O THR A 57 28.787 9.690 -15.067 1.00 0.00 O
447
+ ATOM 446 CG2 THR A 57 31.433 6.334 -13.924 1.00 0.00 C
448
+ ATOM 447 OG1 THR A 57 30.085 6.278 -15.920 1.00 0.00 O
449
+ ATOM 448 N VAL A 58 27.290 8.091 -15.423 1.00 0.00 N
450
+ ATOM 449 CA VAL A 58 26.567 8.918 -16.383 1.00 0.00 C
451
+ ATOM 450 C VAL A 58 25.245 9.380 -15.775 1.00 0.00 C
452
+ ATOM 451 CB VAL A 58 26.311 8.161 -17.705 1.00 0.00 C
453
+ ATOM 452 O VAL A 58 24.710 10.424 -16.156 1.00 0.00 O
454
+ ATOM 453 CG1 VAL A 58 25.518 9.030 -18.680 1.00 0.00 C
455
+ ATOM 454 CG2 VAL A 58 27.631 7.719 -18.332 1.00 0.00 C
456
+ ATOM 455 N ARG A 59 24.700 8.632 -14.862 1.00 0.00 N
457
+ ATOM 456 CA ARG A 59 23.384 8.996 -14.346 1.00 0.00 C
458
+ ATOM 457 C ARG A 59 23.161 8.411 -12.955 1.00 0.00 C
459
+ ATOM 458 CB ARG A 59 22.283 8.521 -15.297 1.00 0.00 C
460
+ ATOM 459 O ARG A 59 23.767 7.400 -12.597 1.00 0.00 O
461
+ ATOM 460 CG ARG A 59 22.151 7.009 -15.379 1.00 0.00 C
462
+ ATOM 461 CD ARG A 59 21.031 6.591 -16.323 1.00 0.00 C
463
+ ATOM 462 NE ARG A 59 20.862 5.141 -16.351 1.00 0.00 N
464
+ ATOM 463 NH1 ARG A 59 19.160 5.162 -17.912 1.00 0.00 N
465
+ ATOM 464 NH2 ARG A 59 19.909 3.173 -17.053 1.00 0.00 N
466
+ ATOM 465 CZ ARG A 59 19.978 4.495 -17.105 1.00 0.00 C
467
+ ATOM 466 N THR A 60 22.291 9.128 -12.257 1.00 0.00 N
468
+ ATOM 467 CA THR A 60 21.772 8.651 -10.980 1.00 0.00 C
469
+ ATOM 468 C THR A 60 20.253 8.507 -11.033 1.00 0.00 C
470
+ ATOM 469 CB THR A 60 22.160 9.598 -9.830 1.00 0.00 C
471
+ ATOM 470 O THR A 60 19.554 9.421 -11.474 1.00 0.00 O
472
+ ATOM 471 CG2 THR A 60 21.572 9.124 -8.505 1.00 0.00 C
473
+ ATOM 472 OG1 THR A 60 23.588 9.645 -9.718 1.00 0.00 O
474
+ ATOM 473 N THR A 61 19.824 7.299 -10.632 1.00 0.00 N
475
+ ATOM 474 CA THR A 61 18.394 7.022 -10.575 1.00 0.00 C
476
+ ATOM 475 C THR A 61 17.961 6.701 -9.146 1.00 0.00 C
477
+ ATOM 476 CB THR A 61 18.013 5.854 -11.503 1.00 0.00 C
478
+ ATOM 477 O THR A 61 18.644 5.959 -8.437 1.00 0.00 O
479
+ ATOM 478 CG2 THR A 61 16.504 5.639 -11.527 1.00 0.00 C
480
+ ATOM 479 OG1 THR A 61 18.465 6.141 -12.833 1.00 0.00 O
481
+ ATOM 480 N GLU A 62 16.846 7.288 -8.785 1.00 0.00 N
482
+ ATOM 481 CA GLU A 62 16.269 7.061 -7.464 1.00 0.00 C
483
+ ATOM 482 C GLU A 62 14.810 6.626 -7.565 1.00 0.00 C
484
+ ATOM 483 CB GLU A 62 16.384 8.321 -6.602 1.00 0.00 C
485
+ ATOM 484 O GLU A 62 14.021 7.247 -8.279 1.00 0.00 O
486
+ ATOM 485 CG GLU A 62 17.817 8.777 -6.367 1.00 0.00 C
487
+ ATOM 486 CD GLU A 62 17.917 10.007 -5.479 1.00 0.00 C
488
+ ATOM 487 OE1 GLU A 62 16.871 10.483 -4.982 1.00 0.00 O
489
+ ATOM 488 OE2 GLU A 62 19.050 10.500 -5.282 1.00 0.00 O
490
+ ATOM 489 N ILE A 63 14.542 5.581 -6.874 1.00 0.00 N
491
+ ATOM 490 CA ILE A 63 13.160 5.112 -6.858 1.00 0.00 C
492
+ ATOM 491 C ILE A 63 12.705 4.896 -5.416 1.00 0.00 C
493
+ ATOM 492 CB ILE A 63 12.996 3.808 -7.673 1.00 0.00 C
494
+ ATOM 493 O ILE A 63 13.474 4.414 -4.582 1.00 0.00 O
495
+ ATOM 494 CG1 ILE A 63 13.891 2.704 -7.099 1.00 0.00 C
496
+ ATOM 495 CG2 ILE A 63 13.309 4.053 -9.152 1.00 0.00 C
497
+ ATOM 496 CD1 ILE A 63 13.643 1.330 -7.705 1.00 0.00 C
498
+ ATOM 497 N ASN A 64 11.501 5.379 -5.123 1.00 0.00 N
499
+ ATOM 498 CA ASN A 64 10.812 5.178 -3.852 1.00 0.00 C
500
+ ATOM 499 C ASN A 64 9.462 4.494 -4.049 1.00 0.00 C
501
+ ATOM 500 CB ASN A 64 10.631 6.510 -3.123 1.00 0.00 C
502
+ ATOM 501 O ASN A 64 8.651 4.936 -4.866 1.00 0.00 O
503
+ ATOM 502 CG ASN A 64 11.949 7.185 -2.802 1.00 0.00 C
504
+ ATOM 503 ND2 ASN A 64 12.415 8.038 -3.707 1.00 0.00 N
505
+ ATOM 504 OD1 ASN A 64 12.546 6.941 -1.750 1.00 0.00 O
506
+ ATOM 505 N PHE A 65 9.279 3.479 -3.317 1.00 0.00 N
507
+ ATOM 506 CA PHE A 65 7.997 2.798 -3.451 1.00 0.00 C
508
+ ATOM 507 C PHE A 65 7.644 2.053 -2.169 1.00 0.00 C
509
+ ATOM 508 CB PHE A 65 8.023 1.825 -4.633 1.00 0.00 C
510
+ ATOM 509 O PHE A 65 8.511 1.812 -1.326 1.00 0.00 O
511
+ ATOM 510 CG PHE A 65 9.027 0.714 -4.484 1.00 0.00 C
512
+ ATOM 511 CD1 PHE A 65 10.308 0.842 -5.005 1.00 0.00 C
513
+ ATOM 512 CD2 PHE A 65 8.689 -0.458 -3.820 1.00 0.00 C
514
+ ATOM 513 CE1 PHE A 65 11.240 -0.185 -4.867 1.00 0.00 C
515
+ ATOM 514 CE2 PHE A 65 9.615 -1.488 -3.679 1.00 0.00 C
516
+ ATOM 515 CZ PHE A 65 10.888 -1.351 -4.204 1.00 0.00 C
517
+ ATOM 516 N LYS A 66 6.481 1.761 -2.029 1.00 0.00 N
518
+ ATOM 517 CA LYS A 66 5.950 0.865 -1.006 1.00 0.00 C
519
+ ATOM 518 C LYS A 66 5.359 -0.395 -1.631 1.00 0.00 C
520
+ ATOM 519 CB LYS A 66 4.890 1.578 -0.165 1.00 0.00 C
521
+ ATOM 520 O LYS A 66 4.506 -0.313 -2.517 1.00 0.00 O
522
+ ATOM 521 CG LYS A 66 4.405 0.774 1.033 1.00 0.00 C
523
+ ATOM 522 CD LYS A 66 3.468 1.592 1.912 1.00 0.00 C
524
+ ATOM 523 CE LYS A 66 2.982 0.789 3.111 1.00 0.00 C
525
+ ATOM 524 NZ LYS A 66 2.047 1.579 3.966 1.00 0.00 N
526
+ ATOM 525 N VAL A 67 5.763 -1.522 -1.152 1.00 0.00 N
527
+ ATOM 526 CA VAL A 67 5.263 -2.784 -1.687 1.00 0.00 C
528
+ ATOM 527 C VAL A 67 3.743 -2.835 -1.556 1.00 0.00 C
529
+ ATOM 528 CB VAL A 67 5.901 -3.996 -0.971 1.00 0.00 C
530
+ ATOM 529 O VAL A 67 3.195 -2.541 -0.491 1.00 0.00 O
531
+ ATOM 530 CG1 VAL A 67 5.289 -5.302 -1.471 1.00 0.00 C
532
+ ATOM 531 CG2 VAL A 67 7.415 -3.999 -1.174 1.00 0.00 C
533
+ ATOM 532 N GLY A 68 3.131 -3.131 -2.643 1.00 0.00 N
534
+ ATOM 533 CA GLY A 68 1.680 -3.235 -2.644 1.00 0.00 C
535
+ ATOM 534 C GLY A 68 0.994 -1.988 -3.169 1.00 0.00 C
536
+ ATOM 535 O GLY A 68 -0.229 -1.968 -3.329 1.00 0.00 O
537
+ ATOM 536 N GLU A 69 1.794 -0.929 -3.356 1.00 0.00 N
538
+ ATOM 537 CA GLU A 69 1.229 0.329 -3.834 1.00 0.00 C
539
+ ATOM 538 C GLU A 69 1.780 0.693 -5.210 1.00 0.00 C
540
+ ATOM 539 CB GLU A 69 1.511 1.457 -2.839 1.00 0.00 C
541
+ ATOM 540 O GLU A 69 2.974 0.531 -5.469 1.00 0.00 O
542
+ ATOM 541 CG GLU A 69 0.821 1.278 -1.495 1.00 0.00 C
543
+ ATOM 542 CD GLU A 69 1.014 2.462 -0.559 1.00 0.00 C
544
+ ATOM 543 OE1 GLU A 69 1.554 3.502 -0.999 1.00 0.00 O
545
+ ATOM 544 OE2 GLU A 69 0.623 2.346 0.624 1.00 0.00 O
546
+ ATOM 545 N GLU A 70 0.912 1.189 -5.999 1.00 0.00 N
547
+ ATOM 546 CA GLU A 70 1.345 1.643 -7.317 1.00 0.00 C
548
+ ATOM 547 C GLU A 70 2.212 2.896 -7.212 1.00 0.00 C
549
+ ATOM 548 CB GLU A 70 0.138 1.914 -8.217 1.00 0.00 C
550
+ ATOM 549 O GLU A 70 1.986 3.742 -6.344 1.00 0.00 O
551
+ ATOM 550 CG GLU A 70 -0.616 0.657 -8.629 1.00 0.00 C
552
+ ATOM 551 CD GLU A 70 -1.674 0.912 -9.691 1.00 0.00 C
553
+ ATOM 552 OE1 GLU A 70 -2.223 2.036 -9.741 1.00 0.00 O
554
+ ATOM 553 OE2 GLU A 70 -1.957 -0.019 -10.476 1.00 0.00 O
555
+ ATOM 554 N PHE A 71 3.165 3.023 -8.087 1.00 0.00 N
556
+ ATOM 555 CA PHE A 71 4.023 4.201 -8.139 1.00 0.00 C
557
+ ATOM 556 C PHE A 71 4.521 4.445 -9.558 1.00 0.00 C
558
+ ATOM 557 CB PHE A 71 5.212 4.045 -7.185 1.00 0.00 C
559
+ ATOM 558 O PHE A 71 4.460 3.552 -10.405 1.00 0.00 O
560
+ ATOM 559 CG PHE A 71 6.149 2.928 -7.562 1.00 0.00 C
561
+ ATOM 560 CD1 PHE A 71 5.815 1.605 -7.305 1.00 0.00 C
562
+ ATOM 561 CD2 PHE A 71 7.365 3.205 -8.172 1.00 0.00 C
563
+ ATOM 562 CE1 PHE A 71 6.680 0.570 -7.652 1.00 0.00 C
564
+ ATOM 563 CE2 PHE A 71 8.236 2.176 -8.522 1.00 0.00 C
565
+ ATOM 564 CZ PHE A 71 7.892 0.860 -8.260 1.00 0.00 C
566
+ ATOM 565 N GLU A 72 4.851 5.577 -9.839 1.00 0.00 N
567
+ ATOM 566 CA GLU A 72 5.366 5.953 -11.151 1.00 0.00 C
568
+ ATOM 567 C GLU A 72 6.893 5.927 -11.173 1.00 0.00 C
569
+ ATOM 568 CB GLU A 72 4.859 7.340 -11.552 1.00 0.00 C
570
+ ATOM 569 O GLU A 72 7.539 6.355 -10.215 1.00 0.00 O
571
+ ATOM 570 CG GLU A 72 3.357 7.402 -11.787 1.00 0.00 C
572
+ ATOM 571 CD GLU A 72 2.888 8.742 -12.329 1.00 0.00 C
573
+ ATOM 572 OE1 GLU A 72 3.735 9.639 -12.547 1.00 0.00 O
574
+ ATOM 573 OE2 GLU A 72 1.664 8.899 -12.535 1.00 0.00 O
575
+ ATOM 574 N GLU A 73 7.377 5.436 -12.223 1.00 0.00 N
576
+ ATOM 575 CA GLU A 73 8.814 5.421 -12.475 1.00 0.00 C
577
+ ATOM 576 C GLU A 73 9.111 5.361 -13.971 1.00 0.00 C
578
+ ATOM 577 CB GLU A 73 9.475 4.239 -11.761 1.00 0.00 C
579
+ ATOM 578 O GLU A 73 8.204 5.496 -14.795 1.00 0.00 O
580
+ ATOM 579 CG GLU A 73 8.998 2.880 -12.250 1.00 0.00 C
581
+ ATOM 580 CD GLU A 73 9.743 1.718 -11.613 1.00 0.00 C
582
+ ATOM 581 OE1 GLU A 73 10.959 1.849 -11.346 1.00 0.00 O
583
+ ATOM 582 OE2 GLU A 73 9.105 0.666 -11.380 1.00 0.00 O
584
+ ATOM 583 N GLN A 74 10.303 5.192 -14.351 1.00 0.00 N
585
+ ATOM 584 CA GLN A 74 10.729 5.021 -15.736 1.00 0.00 C
586
+ ATOM 585 C GLN A 74 11.393 3.663 -15.944 1.00 0.00 C
587
+ ATOM 586 CB GLN A 74 11.685 6.141 -16.146 1.00 0.00 C
588
+ ATOM 587 O GLN A 74 12.044 3.139 -15.038 1.00 0.00 O
589
+ ATOM 588 CG GLN A 74 11.046 7.523 -16.155 1.00 0.00 C
590
+ ATOM 589 CD GLN A 74 12.028 8.622 -16.514 1.00 0.00 C
591
+ ATOM 590 NE2 GLN A 74 11.538 9.855 -16.586 1.00 0.00 N
592
+ ATOM 591 OE1 GLN A 74 13.217 8.366 -16.725 1.00 0.00 O
593
+ ATOM 592 N THR A 75 11.163 3.072 -17.117 1.00 0.00 N
594
+ ATOM 593 CA THR A 75 11.882 1.866 -17.516 1.00 0.00 C
595
+ ATOM 594 C THR A 75 13.362 2.167 -17.737 1.00 0.00 C
596
+ ATOM 595 CB THR A 75 11.282 1.258 -18.796 1.00 0.00 C
597
+ ATOM 596 O THR A 75 13.767 3.330 -17.763 1.00 0.00 O
598
+ ATOM 597 CG2 THR A 75 9.817 0.884 -18.593 1.00 0.00 C
599
+ ATOM 598 OG1 THR A 75 11.377 2.210 -19.863 1.00 0.00 O
600
+ ATOM 599 N VAL A 76 14.134 1.154 -17.893 1.00 0.00 N
601
+ ATOM 600 CA VAL A 76 15.579 1.289 -18.040 1.00 0.00 C
602
+ ATOM 601 C VAL A 76 15.897 2.177 -19.240 1.00 0.00 C
603
+ ATOM 602 CB VAL A 76 16.264 -0.088 -18.199 1.00 0.00 C
604
+ ATOM 603 O VAL A 76 16.920 2.866 -19.257 1.00 0.00 O
605
+ ATOM 604 CG1 VAL A 76 15.861 -0.741 -19.520 1.00 0.00 C
606
+ ATOM 605 CG2 VAL A 76 17.782 0.059 -18.112 1.00 0.00 C
607
+ ATOM 606 N ASP A 77 14.940 2.210 -20.255 1.00 0.00 N
608
+ ATOM 607 CA ASP A 77 15.149 3.011 -21.458 1.00 0.00 C
609
+ ATOM 608 C ASP A 77 14.508 4.390 -21.316 1.00 0.00 C
610
+ ATOM 609 CB ASP A 77 14.586 2.292 -22.684 1.00 0.00 C
611
+ ATOM 610 O ASP A 77 14.439 5.149 -22.285 1.00 0.00 O
612
+ ATOM 611 CG ASP A 77 13.095 2.025 -22.583 1.00 0.00 C
613
+ ATOM 612 OD1 ASP A 77 12.560 1.972 -21.455 1.00 0.00 O
614
+ ATOM 613 OD2 ASP A 77 12.449 1.863 -23.641 1.00 0.00 O
615
+ ATOM 614 N GLY A 78 13.964 4.653 -20.212 1.00 0.00 N
616
+ ATOM 615 CA GLY A 78 13.539 6.014 -19.921 1.00 0.00 C
617
+ ATOM 616 C GLY A 78 12.056 6.237 -20.151 1.00 0.00 C
618
+ ATOM 617 O GLY A 78 11.563 7.358 -20.015 1.00 0.00 O
619
+ ATOM 618 N ARG A 79 11.279 5.257 -20.515 1.00 0.00 N
620
+ ATOM 619 CA ARG A 79 9.848 5.435 -20.744 1.00 0.00 C
621
+ ATOM 620 C ARG A 79 9.085 5.496 -19.425 1.00 0.00 C
622
+ ATOM 621 CB ARG A 79 9.299 4.303 -21.616 1.00 0.00 C
623
+ ATOM 622 O ARG A 79 9.348 4.708 -18.513 1.00 0.00 O
624
+ ATOM 623 CG ARG A 79 9.812 4.323 -23.047 1.00 0.00 C
625
+ ATOM 624 CD ARG A 79 9.310 3.125 -23.842 1.00 0.00 C
626
+ ATOM 625 NE ARG A 79 9.800 1.867 -23.287 1.00 0.00 N
627
+ ATOM 626 NH1 ARG A 79 8.358 0.532 -24.502 1.00 0.00 N
628
+ ATOM 627 NH2 ARG A 79 9.855 -0.416 -23.048 1.00 0.00 N
629
+ ATOM 628 CZ ARG A 79 9.337 0.664 -23.614 1.00 0.00 C
630
+ ATOM 629 N PRO A 80 8.129 6.401 -19.337 1.00 0.00 N
631
+ ATOM 630 CA PRO A 80 7.353 6.467 -18.095 1.00 0.00 C
632
+ ATOM 631 C PRO A 80 6.424 5.268 -17.917 1.00 0.00 C
633
+ ATOM 632 CB PRO A 80 6.550 7.761 -18.249 1.00 0.00 C
634
+ ATOM 633 O PRO A 80 5.779 4.835 -18.874 1.00 0.00 O
635
+ ATOM 634 CG PRO A 80 6.414 7.954 -19.725 1.00 0.00 C
636
+ ATOM 635 CD PRO A 80 7.622 7.366 -20.396 1.00 0.00 C
637
+ ATOM 636 N CYS A 81 6.341 4.799 -16.740 1.00 0.00 N
638
+ ATOM 637 CA CYS A 81 5.466 3.665 -16.470 1.00 0.00 C
639
+ ATOM 638 C CYS A 81 4.895 3.740 -15.060 1.00 0.00 C
640
+ ATOM 639 CB CYS A 81 6.223 2.350 -16.654 1.00 0.00 C
641
+ ATOM 640 O CYS A 81 5.380 4.509 -14.229 1.00 0.00 O
642
+ ATOM 641 SG CYS A 81 7.578 2.118 -15.483 1.00 0.00 S
643
+ ATOM 642 N LYS A 82 3.777 3.070 -14.916 1.00 0.00 N
644
+ ATOM 643 CA LYS A 82 3.223 2.755 -13.602 1.00 0.00 C
645
+ ATOM 644 C LYS A 82 3.610 1.345 -13.167 1.00 0.00 C
646
+ ATOM 645 CB LYS A 82 1.701 2.901 -13.613 1.00 0.00 C
647
+ ATOM 646 O LYS A 82 3.530 0.401 -13.957 1.00 0.00 O
648
+ ATOM 647 CG LYS A 82 1.085 3.060 -12.231 1.00 0.00 C
649
+ ATOM 648 CD LYS A 82 -0.394 3.417 -12.315 1.00 0.00 C
650
+ ATOM 649 CE LYS A 82 -0.792 4.412 -11.233 1.00 0.00 C
651
+ ATOM 650 NZ LYS A 82 -2.215 4.842 -11.374 1.00 0.00 N
652
+ ATOM 651 N SER A 83 4.008 1.282 -11.901 1.00 0.00 N
653
+ ATOM 652 CA SER A 83 4.578 0.022 -11.434 1.00 0.00 C
654
+ ATOM 653 C SER A 83 3.927 -0.430 -10.132 1.00 0.00 C
655
+ ATOM 654 CB SER A 83 6.089 0.157 -11.239 1.00 0.00 C
656
+ ATOM 655 O SER A 83 3.433 0.394 -9.360 1.00 0.00 O
657
+ ATOM 656 OG SER A 83 6.737 0.406 -12.474 1.00 0.00 O
658
+ ATOM 657 N LEU A 84 3.856 -1.694 -9.995 1.00 0.00 N
659
+ ATOM 658 CA LEU A 84 3.381 -2.340 -8.777 1.00 0.00 C
660
+ ATOM 659 C LEU A 84 4.337 -3.445 -8.339 1.00 0.00 C
661
+ ATOM 660 CB LEU A 84 1.979 -2.917 -8.989 1.00 0.00 C
662
+ ATOM 661 O LEU A 84 4.625 -4.364 -9.110 1.00 0.00 O
663
+ ATOM 662 CG LEU A 84 1.347 -3.623 -7.788 1.00 0.00 C
664
+ ATOM 663 CD1 LEU A 84 1.112 -2.631 -6.653 1.00 0.00 C
665
+ ATOM 664 CD2 LEU A 84 0.043 -4.301 -8.190 1.00 0.00 C
666
+ ATOM 665 N VAL A 85 4.810 -3.310 -7.122 1.00 0.00 N
667
+ ATOM 666 CA VAL A 85 5.720 -4.304 -6.565 1.00 0.00 C
668
+ ATOM 667 C VAL A 85 4.972 -5.191 -5.572 1.00 0.00 C
669
+ ATOM 668 CB VAL A 85 6.934 -3.641 -5.878 1.00 0.00 C
670
+ ATOM 669 O VAL A 85 4.220 -4.693 -4.730 1.00 0.00 O
671
+ ATOM 670 CG1 VAL A 85 7.850 -4.697 -5.263 1.00 0.00 C
672
+ ATOM 671 CG2 VAL A 85 7.703 -2.775 -6.873 1.00 0.00 C
673
+ ATOM 672 N LYS A 86 5.183 -6.494 -5.620 1.00 0.00 N
674
+ ATOM 673 CA LYS A 86 4.615 -7.479 -4.704 1.00 0.00 C
675
+ ATOM 674 C LYS A 86 5.676 -8.470 -4.235 1.00 0.00 C
676
+ ATOM 675 CB LYS A 86 3.458 -8.225 -5.370 1.00 0.00 C
677
+ ATOM 676 O LYS A 86 6.645 -8.734 -4.951 1.00 0.00 O
678
+ ATOM 677 CG LYS A 86 2.307 -7.327 -5.798 1.00 0.00 C
679
+ ATOM 678 CD LYS A 86 1.218 -8.116 -6.514 1.00 0.00 C
680
+ ATOM 679 CE LYS A 86 0.097 -7.208 -7.002 1.00 0.00 C
681
+ ATOM 680 NZ LYS A 86 -0.943 -7.969 -7.757 1.00 0.00 N
682
+ ATOM 681 N TRP A 87 5.463 -8.911 -3.030 1.00 0.00 N
683
+ ATOM 682 CA TRP A 87 6.290 -10.014 -2.554 1.00 0.00 C
684
+ ATOM 683 C TRP A 87 5.880 -11.327 -3.213 1.00 0.00 C
685
+ ATOM 684 CB TRP A 87 6.194 -10.141 -1.031 1.00 0.00 C
686
+ ATOM 685 O TRP A 87 4.695 -11.668 -3.245 1.00 0.00 O
687
+ ATOM 686 CG TRP A 87 6.738 -8.959 -0.286 1.00 0.00 C
688
+ ATOM 687 CD1 TRP A 87 6.026 -8.031 0.421 1.00 0.00 C
689
+ ATOM 688 CD2 TRP A 87 8.113 -8.576 -0.178 1.00 0.00 C
690
+ ATOM 689 CE2 TRP A 87 8.161 -7.405 0.610 1.00 0.00 C
691
+ ATOM 690 CE3 TRP A 87 9.310 -9.110 -0.673 1.00 0.00 C
692
+ ATOM 691 NE1 TRP A 87 6.875 -7.094 0.963 1.00 0.00 N
693
+ ATOM 692 CH2 TRP A 87 10.517 -7.303 0.420 1.00 0.00 C
694
+ ATOM 693 CZ2 TRP A 87 9.361 -6.759 0.915 1.00 0.00 C
695
+ ATOM 694 CZ3 TRP A 87 10.504 -8.465 -0.368 1.00 0.00 C
696
+ ATOM 695 N GLU A 88 6.816 -12.031 -3.745 1.00 0.00 N
697
+ ATOM 696 CA GLU A 88 6.584 -13.382 -4.250 1.00 0.00 C
698
+ ATOM 697 C GLU A 88 6.983 -14.433 -3.217 1.00 0.00 C
699
+ ATOM 698 CB GLU A 88 7.352 -13.608 -5.553 1.00 0.00 C
700
+ ATOM 699 O GLU A 88 6.356 -15.489 -3.125 1.00 0.00 O
701
+ ATOM 700 CG GLU A 88 7.087 -14.962 -6.197 1.00 0.00 C
702
+ ATOM 701 CD GLU A 88 7.790 -15.139 -7.533 1.00 0.00 C
703
+ ATOM 702 OE1 GLU A 88 9.031 -15.298 -7.550 1.00 0.00 O
704
+ ATOM 703 OE2 GLU A 88 7.093 -15.117 -8.573 1.00 0.00 O
705
+ ATOM 704 N SER A 89 8.012 -14.166 -2.504 1.00 0.00 N
706
+ ATOM 705 CA SER A 89 8.500 -14.926 -1.357 1.00 0.00 C
707
+ ATOM 706 C SER A 89 9.082 -14.004 -0.291 1.00 0.00 C
708
+ ATOM 707 CB SER A 89 9.556 -15.941 -1.796 1.00 0.00 C
709
+ ATOM 708 O SER A 89 9.067 -12.781 -0.446 1.00 0.00 O
710
+ ATOM 709 OG SER A 89 10.747 -15.288 -2.195 1.00 0.00 O
711
+ ATOM 710 N GLU A 90 9.572 -14.591 0.761 1.00 0.00 N
712
+ ATOM 711 CA GLU A 90 10.129 -13.794 1.850 1.00 0.00 C
713
+ ATOM 712 C GLU A 90 11.307 -12.951 1.371 1.00 0.00 C
714
+ ATOM 713 CB GLU A 90 10.566 -14.697 3.007 1.00 0.00 C
715
+ ATOM 714 O GLU A 90 11.494 -11.820 1.827 1.00 0.00 O
716
+ ATOM 715 CG GLU A 90 10.947 -13.938 4.270 1.00 0.00 C
717
+ ATOM 716 CD GLU A 90 11.395 -14.846 5.403 1.00 0.00 C
718
+ ATOM 717 OE1 GLU A 90 11.348 -16.087 5.242 1.00 0.00 O
719
+ ATOM 718 OE2 GLU A 90 11.796 -14.313 6.462 1.00 0.00 O
720
+ ATOM 719 N ASN A 91 11.979 -13.355 0.395 1.00 0.00 N
721
+ ATOM 720 CA ASN A 91 13.222 -12.691 0.014 1.00 0.00 C
722
+ ATOM 721 C ASN A 91 13.206 -12.274 -1.454 1.00 0.00 C
723
+ ATOM 722 CB ASN A 91 14.423 -13.595 0.295 1.00 0.00 C
724
+ ATOM 723 O ASN A 91 14.259 -12.033 -2.047 1.00 0.00 O
725
+ ATOM 724 CG ASN A 91 14.375 -14.892 -0.491 1.00 0.00 C
726
+ ATOM 725 ND2 ASN A 91 15.529 -15.524 -0.662 1.00 0.00 N
727
+ ATOM 726 OD1 ASN A 91 13.309 -15.319 -0.942 1.00 0.00 O
728
+ ATOM 727 N LYS A 92 12.002 -12.249 -2.059 1.00 0.00 N
729
+ ATOM 728 CA LYS A 92 11.899 -11.948 -3.484 1.00 0.00 C
730
+ ATOM 729 C LYS A 92 10.694 -11.057 -3.771 1.00 0.00 C
731
+ ATOM 730 CB LYS A 92 11.802 -13.238 -4.299 1.00 0.00 C
732
+ ATOM 731 O LYS A 92 9.570 -11.376 -3.377 1.00 0.00 O
733
+ ATOM 732 CG LYS A 92 11.784 -13.018 -5.805 1.00 0.00 C
734
+ ATOM 733 CD LYS A 92 11.792 -14.340 -6.564 1.00 0.00 C
735
+ ATOM 734 CE LYS A 92 11.785 -14.121 -8.069 1.00 0.00 C
736
+ ATOM 735 NZ LYS A 92 11.846 -15.413 -8.817 1.00 0.00 N
737
+ ATOM 736 N MET A 93 10.966 -9.985 -4.445 1.00 0.00 N
738
+ ATOM 737 CA MET A 93 9.876 -9.124 -4.898 1.00 0.00 C
739
+ ATOM 738 C MET A 93 9.846 -9.039 -6.419 1.00 0.00 C
740
+ ATOM 739 CB MET A 93 10.010 -7.725 -4.297 1.00 0.00 C
741
+ ATOM 740 O MET A 93 10.879 -9.191 -7.074 1.00 0.00 O
742
+ ATOM 741 CG MET A 93 11.266 -6.987 -4.735 1.00 0.00 C
743
+ ATOM 742 SD MET A 93 11.469 -5.376 -3.881 1.00 0.00 S
744
+ ATOM 743 CE MET A 93 12.198 -5.934 -2.315 1.00 0.00 C
745
+ ATOM 744 N VAL A 94 8.618 -8.877 -6.928 1.00 0.00 N
746
+ ATOM 745 CA VAL A 94 8.368 -8.799 -8.363 1.00 0.00 C
747
+ ATOM 746 C VAL A 94 7.657 -7.490 -8.696 1.00 0.00 C
748
+ ATOM 747 CB VAL A 94 7.532 -10.001 -8.859 1.00 0.00 C
749
+ ATOM 748 O VAL A 94 6.729 -7.084 -7.991 1.00 0.00 O
750
+ ATOM 749 CG1 VAL A 94 7.240 -9.875 -10.353 1.00 0.00 C
751
+ ATOM 750 CG2 VAL A 94 8.254 -11.313 -8.561 1.00 0.00 C
752
+ ATOM 751 N CYS A 95 8.172 -6.883 -9.674 1.00 0.00 N
753
+ ATOM 752 CA CYS A 95 7.593 -5.629 -10.144 1.00 0.00 C
754
+ ATOM 753 C CYS A 95 7.027 -5.783 -11.551 1.00 0.00 C
755
+ ATOM 754 CB CYS A 95 8.639 -4.515 -10.125 1.00 0.00 C
756
+ ATOM 755 O CYS A 95 7.731 -6.219 -12.463 1.00 0.00 O
757
+ ATOM 756 SG CYS A 95 7.999 -2.905 -10.635 1.00 0.00 S
758
+ ATOM 757 N GLU A 96 5.769 -5.433 -11.650 1.00 0.00 N
759
+ ATOM 758 CA GLU A 96 5.138 -5.318 -12.961 1.00 0.00 C
760
+ ATOM 759 C GLU A 96 5.050 -3.861 -13.406 1.00 0.00 C
761
+ ATOM 760 CB GLU A 96 3.743 -5.947 -12.943 1.00 0.00 C
762
+ ATOM 761 O GLU A 96 4.612 -2.998 -12.642 1.00 0.00 O
763
+ ATOM 762 CG GLU A 96 3.746 -7.443 -12.661 1.00 0.00 C
764
+ ATOM 763 CD GLU A 96 2.353 -8.049 -12.615 1.00 0.00 C
765
+ ATOM 764 OE1 GLU A 96 1.363 -7.310 -12.824 1.00 0.00 O
766
+ ATOM 765 OE2 GLU A 96 2.249 -9.271 -12.367 1.00 0.00 O
767
+ ATOM 766 N GLN A 97 5.499 -3.661 -14.586 1.00 0.00 N
768
+ ATOM 767 CA GLN A 97 5.486 -2.303 -15.118 1.00 0.00 C
769
+ ATOM 768 C GLN A 97 4.487 -2.172 -16.265 1.00 0.00 C
770
+ ATOM 769 CB GLN A 97 6.883 -1.898 -15.591 1.00 0.00 C
771
+ ATOM 770 O GLN A 97 4.400 -3.053 -17.123 1.00 0.00 O
772
+ ATOM 771 CG GLN A 97 7.943 -1.957 -14.498 1.00 0.00 C
773
+ ATOM 772 CD GLN A 97 9.333 -1.629 -15.010 1.00 0.00 C
774
+ ATOM 773 NE2 GLN A 97 9.922 -0.559 -14.485 1.00 0.00 N
775
+ ATOM 774 OE1 GLN A 97 9.874 -2.331 -15.870 1.00 0.00 O
776
+ ATOM 775 N LYS A 98 3.750 -1.118 -16.244 1.00 0.00 N
777
+ ATOM 776 CA LYS A 98 2.824 -0.776 -17.319 1.00 0.00 C
778
+ ATOM 777 C LYS A 98 3.162 0.584 -17.922 1.00 0.00 C
779
+ ATOM 778 CB LYS A 98 1.383 -0.780 -16.808 1.00 0.00 C
780
+ ATOM 779 O LYS A 98 3.179 1.595 -17.217 1.00 0.00 O
781
+ ATOM 780 CG LYS A 98 0.344 -0.502 -17.884 1.00 0.00 C
782
+ ATOM 781 CD LYS A 98 -1.072 -0.578 -17.327 1.00 0.00 C
783
+ ATOM 782 CE LYS A 98 -2.109 -0.208 -18.380 1.00 0.00 C
784
+ ATOM 783 NZ LYS A 98 -3.497 -0.262 -17.833 1.00 0.00 N
785
+ ATOM 784 N LEU A 99 3.319 0.540 -19.242 1.00 0.00 N
786
+ ATOM 785 CA LEU A 99 3.650 1.783 -19.931 1.00 0.00 C
787
+ ATOM 786 C LEU A 99 2.491 2.771 -19.855 1.00 0.00 C
788
+ ATOM 787 CB LEU A 99 4.006 1.507 -21.393 1.00 0.00 C
789
+ ATOM 788 O LEU A 99 1.329 2.383 -20.002 1.00 0.00 O
790
+ ATOM 789 CG LEU A 99 5.261 0.668 -21.639 1.00 0.00 C
791
+ ATOM 790 CD1 LEU A 99 5.426 0.385 -23.128 1.00 0.00 C
792
+ ATOM 791 CD2 LEU A 99 6.494 1.375 -21.084 1.00 0.00 C
793
+ ATOM 792 N LEU A 100 2.817 3.993 -19.573 1.00 0.00 N
794
+ ATOM 793 CA LEU A 100 1.813 5.051 -19.538 1.00 0.00 C
795
+ ATOM 794 C LEU A 100 1.577 5.623 -20.932 1.00 0.00 C
796
+ ATOM 795 CB LEU A 100 2.242 6.167 -18.583 1.00 0.00 C
797
+ ATOM 796 O LEU A 100 0.502 6.156 -21.216 1.00 0.00 O
798
+ ATOM 797 CG LEU A 100 2.242 5.821 -17.093 1.00 0.00 C
799
+ ATOM 798 CD1 LEU A 100 2.796 6.985 -16.278 1.00 0.00 C
800
+ ATOM 799 CD2 LEU A 100 0.836 5.459 -16.627 1.00 0.00 C
801
+ ATOM 800 N LYS A 101 2.594 5.590 -21.753 1.00 0.00 N
802
+ ATOM 801 CA LYS A 101 2.523 6.122 -23.111 1.00 0.00 C
803
+ ATOM 802 C LYS A 101 3.221 5.195 -24.103 1.00 0.00 C
804
+ ATOM 803 CB LYS A 101 3.144 7.519 -23.173 1.00 0.00 C
805
+ ATOM 804 O LYS A 101 4.192 4.522 -23.753 1.00 0.00 O
806
+ ATOM 805 CG LYS A 101 2.457 8.542 -22.282 1.00 0.00 C
807
+ ATOM 806 CD LYS A 101 3.092 9.920 -22.419 1.00 0.00 C
808
+ ATOM 807 CE LYS A 101 2.412 10.942 -21.519 1.00 0.00 C
809
+ ATOM 808 NZ LYS A 101 3.040 12.293 -21.642 1.00 0.00 N
810
+ ATOM 809 N GLY A 102 2.510 5.252 -25.266 1.00 0.00 N
811
+ ATOM 810 CA GLY A 102 3.162 4.548 -26.359 1.00 0.00 C
812
+ ATOM 811 C GLY A 102 3.027 3.041 -26.263 1.00 0.00 C
813
+ ATOM 812 O GLY A 102 2.260 2.532 -25.444 1.00 0.00 O
814
+ ATOM 813 N GLU A 103 3.537 2.308 -27.239 1.00 0.00 N
815
+ ATOM 814 CA GLU A 103 3.662 0.856 -27.318 1.00 0.00 C
816
+ ATOM 815 C GLU A 103 5.114 0.417 -27.157 1.00 0.00 C
817
+ ATOM 816 CB GLU A 103 3.100 0.338 -28.645 1.00 0.00 C
818
+ ATOM 817 O GLU A 103 6.031 1.236 -27.256 1.00 0.00 O
819
+ ATOM 818 CG GLU A 103 1.610 0.588 -28.821 1.00 0.00 C
820
+ ATOM 819 CD GLU A 103 1.039 -0.050 -30.077 1.00 0.00 C
821
+ ATOM 820 OE1 GLU A 103 1.825 -0.538 -30.921 1.00 0.00 O
822
+ ATOM 821 OE2 GLU A 103 -0.204 -0.060 -30.221 1.00 0.00 O
823
+ ATOM 822 N GLY A 104 5.290 -0.791 -26.688 1.00 0.00 N
824
+ ATOM 823 CA GLY A 104 6.633 -1.325 -26.526 1.00 0.00 C
825
+ ATOM 824 C GLY A 104 6.667 -2.625 -25.746 1.00 0.00 C
826
+ ATOM 825 O GLY A 104 5.628 -3.117 -25.302 1.00 0.00 O
827
+ ATOM 826 N PRO A 105 7.886 -3.075 -25.667 1.00 0.00 N
828
+ ATOM 827 CA PRO A 105 8.001 -4.351 -24.958 1.00 0.00 C
829
+ ATOM 828 C PRO A 105 7.480 -4.278 -23.524 1.00 0.00 C
830
+ ATOM 829 CB PRO A 105 9.506 -4.631 -24.978 1.00 0.00 C
831
+ ATOM 830 O PRO A 105 7.596 -3.236 -22.874 1.00 0.00 O
832
+ ATOM 831 CG PRO A 105 10.027 -3.834 -26.129 1.00 0.00 C
833
+ ATOM 832 CD PRO A 105 9.198 -2.588 -26.262 1.00 0.00 C
834
+ ATOM 833 N LYS A 106 6.950 -5.319 -23.129 1.00 0.00 N
835
+ ATOM 834 CA LYS A 106 6.567 -5.473 -21.730 1.00 0.00 C
836
+ ATOM 835 C LYS A 106 7.793 -5.664 -20.841 1.00 0.00 C
837
+ ATOM 836 CB LYS A 106 5.609 -6.655 -21.561 1.00 0.00 C
838
+ ATOM 837 O LYS A 106 8.645 -6.508 -21.124 1.00 0.00 O
839
+ ATOM 838 CG LYS A 106 4.264 -6.464 -22.246 1.00 0.00 C
840
+ ATOM 839 CD LYS A 106 3.343 -7.654 -22.011 1.00 0.00 C
841
+ ATOM 840 CE LYS A 106 2.015 -7.486 -22.736 1.00 0.00 C
842
+ ATOM 841 NZ LYS A 106 1.122 -8.667 -22.538 1.00 0.00 N
843
+ ATOM 842 N THR A 107 7.831 -4.852 -19.807 1.00 0.00 N
844
+ ATOM 843 CA THR A 107 8.999 -4.899 -18.934 1.00 0.00 C
845
+ ATOM 844 C THR A 107 8.597 -5.283 -17.513 1.00 0.00 C
846
+ ATOM 845 CB THR A 107 9.736 -3.548 -18.914 1.00 0.00 C
847
+ ATOM 846 O THR A 107 7.465 -5.035 -17.095 1.00 0.00 O
848
+ ATOM 847 CG2 THR A 107 10.371 -3.247 -20.269 1.00 0.00 C
849
+ ATOM 848 OG1 THR A 107 8.805 -2.507 -18.594 1.00 0.00 O
850
+ ATOM 849 N SER A 108 9.415 -5.925 -16.830 1.00 0.00 N
851
+ ATOM 850 CA SER A 108 9.299 -6.270 -15.417 1.00 0.00 C
852
+ ATOM 851 C SER A 108 10.671 -6.412 -14.768 1.00 0.00 C
853
+ ATOM 852 CB SER A 108 8.506 -7.566 -15.246 1.00 0.00 C
854
+ ATOM 853 O SER A 108 11.689 -6.467 -15.461 1.00 0.00 O
855
+ ATOM 854 OG SER A 108 9.240 -8.674 -15.739 1.00 0.00 O
856
+ ATOM 855 N TRP A 109 10.661 -6.395 -13.511 1.00 0.00 N
857
+ ATOM 856 CA TRP A 109 11.899 -6.747 -12.823 1.00 0.00 C
858
+ ATOM 857 C TRP A 109 11.608 -7.493 -11.525 1.00 0.00 C
859
+ ATOM 858 CB TRP A 109 12.726 -5.491 -12.530 1.00 0.00 C
860
+ ATOM 859 O TRP A 109 10.495 -7.424 -10.997 1.00 0.00 O
861
+ ATOM 860 CG TRP A 109 11.979 -4.433 -11.775 1.00 0.00 C
862
+ ATOM 861 CD1 TRP A 109 11.355 -3.333 -12.297 1.00 0.00 C
863
+ ATOM 862 CD2 TRP A 109 11.783 -4.371 -10.359 1.00 0.00 C
864
+ ATOM 863 CE2 TRP A 109 11.030 -3.207 -10.092 1.00 0.00 C
865
+ ATOM 864 CE3 TRP A 109 12.171 -5.188 -9.289 1.00 0.00 C
866
+ ATOM 865 NE1 TRP A 109 10.782 -2.593 -11.290 1.00 0.00 N
867
+ ATOM 866 CH2 TRP A 109 11.048 -3.657 -7.768 1.00 0.00 C
868
+ ATOM 867 CZ2 TRP A 109 10.656 -2.839 -8.797 1.00 0.00 C
869
+ ATOM 868 CZ3 TRP A 109 11.798 -4.821 -8.001 1.00 0.00 C
870
+ ATOM 869 N THR A 110 12.575 -8.255 -11.059 1.00 0.00 N
871
+ ATOM 870 CA THR A 110 12.574 -8.928 -9.765 1.00 0.00 C
872
+ ATOM 871 C THR A 110 13.838 -8.591 -8.979 1.00 0.00 C
873
+ ATOM 872 CB THR A 110 12.460 -10.455 -9.929 1.00 0.00 C
874
+ ATOM 873 O THR A 110 14.886 -8.318 -9.566 1.00 0.00 O
875
+ ATOM 874 CG2 THR A 110 11.316 -10.823 -10.868 1.00 0.00 C
876
+ ATOM 875 OG1 THR A 110 13.687 -10.964 -10.466 1.00 0.00 O
877
+ ATOM 876 N ARG A 111 13.730 -8.611 -7.669 1.00 0.00 N
878
+ ATOM 877 CA ARG A 111 14.851 -8.537 -6.739 1.00 0.00 C
879
+ ATOM 878 C ARG A 111 14.782 -9.658 -5.708 1.00 0.00 C
880
+ ATOM 879 CB ARG A 111 14.879 -7.178 -6.036 1.00 0.00 C
881
+ ATOM 880 O ARG A 111 13.783 -9.794 -4.997 1.00 0.00 O
882
+ ATOM 881 CG ARG A 111 15.246 -6.020 -6.950 1.00 0.00 C
883
+ ATOM 882 CD ARG A 111 15.331 -4.704 -6.188 1.00 0.00 C
884
+ ATOM 883 NE ARG A 111 15.696 -3.596 -7.064 1.00 0.00 N
885
+ ATOM 884 NH1 ARG A 111 17.658 -4.561 -7.811 1.00 0.00 N
886
+ ATOM 885 NH2 ARG A 111 17.028 -2.494 -8.576 1.00 0.00 N
887
+ ATOM 886 CZ ARG A 111 16.793 -3.553 -7.815 1.00 0.00 C
888
+ ATOM 887 N GLU A 112 15.866 -10.350 -5.696 1.00 0.00 N
889
+ ATOM 888 CA GLU A 112 15.924 -11.521 -4.826 1.00 0.00 C
890
+ ATOM 889 C GLU A 112 17.199 -11.523 -3.987 1.00 0.00 C
891
+ ATOM 890 CB GLU A 112 15.836 -12.808 -5.651 1.00 0.00 C
892
+ ATOM 891 O GLU A 112 18.300 -11.364 -4.519 1.00 0.00 O
893
+ ATOM 892 CG GLU A 112 15.862 -14.078 -4.814 1.00 0.00 C
894
+ ATOM 893 CD GLU A 112 15.753 -15.347 -5.644 1.00 0.00 C
895
+ ATOM 894 OE1 GLU A 112 15.621 -15.251 -6.885 1.00 0.00 O
896
+ ATOM 895 OE2 GLU A 112 15.798 -16.447 -5.048 1.00 0.00 O
897
+ ATOM 896 N LEU A 113 17.010 -11.679 -2.713 1.00 0.00 N
898
+ ATOM 897 CA LEU A 113 18.133 -11.884 -1.805 1.00 0.00 C
899
+ ATOM 898 C LEU A 113 18.371 -13.369 -1.558 1.00 0.00 C
900
+ ATOM 899 CB LEU A 113 17.886 -11.166 -0.475 1.00 0.00 C
901
+ ATOM 900 O LEU A 113 17.520 -14.050 -0.979 1.00 0.00 O
902
+ ATOM 901 CG LEU A 113 19.078 -11.072 0.478 1.00 0.00 C
903
+ ATOM 902 CD1 LEU A 113 20.193 -10.240 -0.149 1.00 0.00 C
904
+ ATOM 903 CD2 LEU A 113 18.649 -10.480 1.815 1.00 0.00 C
905
+ ATOM 904 N THR A 114 19.497 -13.841 -1.980 1.00 0.00 N
906
+ ATOM 905 CA THR A 114 19.779 -15.267 -1.857 1.00 0.00 C
907
+ ATOM 906 C THR A 114 20.324 -15.592 -0.469 1.00 0.00 C
908
+ ATOM 907 CB THR A 114 20.782 -15.732 -2.927 1.00 0.00 C
909
+ ATOM 908 O THR A 114 20.783 -14.700 0.248 1.00 0.00 O
910
+ ATOM 909 CG2 THR A 114 20.348 -15.286 -4.319 1.00 0.00 C
911
+ ATOM 910 OG1 THR A 114 22.071 -15.177 -2.640 1.00 0.00 O
912
+ ATOM 911 N ASN A 115 20.305 -16.815 -0.124 1.00 0.00 N
913
+ ATOM 912 CA ASN A 115 20.820 -17.270 1.164 1.00 0.00 C
914
+ ATOM 913 C ASN A 115 22.324 -17.048 1.277 1.00 0.00 C
915
+ ATOM 914 CB ASN A 115 20.482 -18.746 1.386 1.00 0.00 C
916
+ ATOM 915 O ASN A 115 22.855 -16.913 2.380 1.00 0.00 O
917
+ ATOM 916 CG ASN A 115 19.004 -18.977 1.635 1.00 0.00 C
918
+ ATOM 917 ND2 ASN A 115 18.538 -20.188 1.358 1.00 0.00 N
919
+ ATOM 918 OD1 ASN A 115 18.288 -18.072 2.072 1.00 0.00 O
920
+ ATOM 919 N ASP A 116 22.959 -16.884 0.194 1.00 0.00 N
921
+ ATOM 920 CA ASP A 116 24.400 -16.647 0.175 1.00 0.00 C
922
+ ATOM 921 C ASP A 116 24.713 -15.158 0.290 1.00 0.00 C
923
+ ATOM 922 CB ASP A 116 25.020 -17.219 -1.101 1.00 0.00 C
924
+ ATOM 923 O ASP A 116 25.876 -14.756 0.215 1.00 0.00 O
925
+ ATOM 924 CG ASP A 116 24.927 -18.733 -1.179 1.00 0.00 C
926
+ ATOM 925 OD1 ASP A 116 25.061 -19.407 -0.136 1.00 0.00 O
927
+ ATOM 926 OD2 ASP A 116 24.721 -19.256 -2.296 1.00 0.00 O
928
+ ATOM 927 N GLY A 117 23.671 -14.427 0.414 1.00 0.00 N
929
+ ATOM 928 CA GLY A 117 23.877 -13.008 0.661 1.00 0.00 C
930
+ ATOM 929 C GLY A 117 23.997 -12.192 -0.613 1.00 0.00 C
931
+ ATOM 930 O GLY A 117 24.438 -11.042 -0.579 1.00 0.00 O
932
+ ATOM 931 N GLU A 118 23.682 -12.757 -1.762 1.00 0.00 N
933
+ ATOM 932 CA GLU A 118 23.705 -12.035 -3.030 1.00 0.00 C
934
+ ATOM 933 C GLU A 118 22.342 -11.420 -3.340 1.00 0.00 C
935
+ ATOM 934 CB GLU A 118 24.132 -12.963 -4.170 1.00 0.00 C
936
+ ATOM 935 O GLU A 118 21.304 -11.997 -3.006 1.00 0.00 O
937
+ ATOM 936 CG GLU A 118 25.536 -13.528 -4.007 1.00 0.00 C
938
+ ATOM 937 CD GLU A 118 25.943 -14.458 -5.140 1.00 0.00 C
939
+ ATOM 938 OE1 GLU A 118 25.050 -15.023 -5.812 1.00 0.00 O
940
+ ATOM 939 OE2 GLU A 118 27.164 -14.624 -5.356 1.00 0.00 O
941
+ ATOM 940 N LEU A 119 22.430 -10.249 -3.851 1.00 0.00 N
942
+ ATOM 941 CA LEU A 119 21.236 -9.607 -4.389 1.00 0.00 C
943
+ ATOM 942 C LEU A 119 21.156 -9.789 -5.901 1.00 0.00 C
944
+ ATOM 943 CB LEU A 119 21.226 -8.117 -4.042 1.00 0.00 C
945
+ ATOM 944 O LEU A 119 22.064 -9.382 -6.629 1.00 0.00 O
946
+ ATOM 945 CG LEU A 119 20.070 -7.295 -4.615 1.00 0.00 C
947
+ ATOM 946 CD1 LEU A 119 18.745 -7.757 -4.018 1.00 0.00 C
948
+ ATOM 947 CD2 LEU A 119 20.290 -5.808 -4.354 1.00 0.00 C
949
+ ATOM 948 N ILE A 120 20.096 -10.459 -6.365 1.00 0.00 N
950
+ ATOM 949 CA ILE A 120 19.912 -10.718 -7.789 1.00 0.00 C
951
+ ATOM 950 C ILE A 120 18.797 -9.830 -8.335 1.00 0.00 C
952
+ ATOM 951 CB ILE A 120 19.593 -12.206 -8.056 1.00 0.00 C
953
+ ATOM 952 O ILE A 120 17.666 -9.870 -7.844 1.00 0.00 O
954
+ ATOM 953 CG1 ILE A 120 20.718 -13.098 -7.520 1.00 0.00 C
955
+ ATOM 954 CG2 ILE A 120 19.365 -12.450 -9.550 1.00 0.00 C
956
+ ATOM 955 CD1 ILE A 120 20.449 -14.591 -7.667 1.00 0.00 C
957
+ ATOM 956 N LEU A 121 19.138 -9.031 -9.263 1.00 0.00 N
958
+ ATOM 957 CA LEU A 121 18.185 -8.244 -10.037 1.00 0.00 C
959
+ ATOM 958 C LEU A 121 17.967 -8.856 -11.417 1.00 0.00 C
960
+ ATOM 959 CB LEU A 121 18.672 -6.799 -10.179 1.00 0.00 C
961
+ ATOM 960 O LEU A 121 18.925 -9.074 -12.162 1.00 0.00 O
962
+ ATOM 961 CG LEU A 121 17.804 -5.871 -11.030 1.00 0.00 C
963
+ ATOM 962 CD1 LEU A 121 16.435 -5.687 -10.385 1.00 0.00 C
964
+ ATOM 963 CD2 LEU A 121 18.494 -4.525 -11.226 1.00 0.00 C
965
+ ATOM 964 N THR A 122 16.746 -9.195 -11.708 1.00 0.00 N
966
+ ATOM 965 CA THR A 122 16.379 -9.672 -13.037 1.00 0.00 C
967
+ ATOM 966 C THR A 122 15.438 -8.686 -13.723 1.00 0.00 C
968
+ ATOM 967 CB THR A 122 15.713 -11.059 -12.969 1.00 0.00 C
969
+ ATOM 968 O THR A 122 14.421 -8.288 -13.150 1.00 0.00 O
970
+ ATOM 969 CG2 THR A 122 15.424 -11.598 -14.366 1.00 0.00 C
971
+ ATOM 970 OG1 THR A 122 16.587 -11.969 -12.288 1.00 0.00 O
972
+ ATOM 971 N MET A 123 15.774 -8.310 -14.899 1.00 0.00 N
973
+ ATOM 972 CA MET A 123 14.934 -7.449 -15.725 1.00 0.00 C
974
+ ATOM 973 C MET A 123 14.491 -8.173 -16.992 1.00 0.00 C
975
+ ATOM 974 CB MET A 123 15.676 -6.162 -16.090 1.00 0.00 C
976
+ ATOM 975 O MET A 123 15.273 -8.906 -17.599 1.00 0.00 O
977
+ ATOM 976 CG MET A 123 15.994 -5.277 -14.895 1.00 0.00 C
978
+ ATOM 977 SD MET A 123 17.171 -3.932 -15.311 1.00 0.00 S
979
+ ATOM 978 CE MET A 123 18.717 -4.876 -15.403 1.00 0.00 C
980
+ ATOM 979 N THR A 124 13.291 -7.942 -17.341 1.00 0.00 N
981
+ ATOM 980 CA THR A 124 12.779 -8.604 -18.537 1.00 0.00 C
982
+ ATOM 981 C THR A 124 12.147 -7.591 -19.486 1.00 0.00 C
983
+ ATOM 982 CB THR A 124 11.747 -9.688 -18.177 1.00 0.00 C
984
+ ATOM 983 O THR A 124 11.550 -6.607 -19.046 1.00 0.00 O
985
+ ATOM 984 CG2 THR A 124 12.336 -10.709 -17.210 1.00 0.00 C
986
+ ATOM 985 OG1 THR A 124 10.607 -9.070 -17.565 1.00 0.00 O
987
+ ATOM 986 N ALA A 125 12.402 -7.740 -20.652 1.00 0.00 N
988
+ ATOM 987 CA ALA A 125 11.716 -7.093 -21.767 1.00 0.00 C
989
+ ATOM 988 C ALA A 125 11.286 -8.116 -22.815 1.00 0.00 C
990
+ ATOM 989 CB ALA A 125 12.612 -6.032 -22.400 1.00 0.00 C
991
+ ATOM 990 O ALA A 125 12.129 -8.741 -23.463 1.00 0.00 O
992
+ ATOM 991 N ASP A 126 9.937 -8.259 -22.923 1.00 0.00 N
993
+ ATOM 992 CA ASP A 126 9.394 -9.359 -23.715 1.00 0.00 C
994
+ ATOM 993 C ASP A 126 10.060 -10.682 -23.346 1.00 0.00 C
995
+ ATOM 994 CB ASP A 126 9.568 -9.080 -25.209 1.00 0.00 C
996
+ ATOM 995 O ASP A 126 9.946 -11.146 -22.209 1.00 0.00 O
997
+ ATOM 996 CG ASP A 126 8.734 -7.908 -25.695 1.00 0.00 C
998
+ ATOM 997 OD1 ASP A 126 7.720 -7.570 -25.046 1.00 0.00 O
999
+ ATOM 998 OD2 ASP A 126 9.092 -7.318 -26.738 1.00 0.00 O
1000
+ ATOM 999 N ASP A 127 10.832 -11.324 -24.187 1.00 0.00 N
1001
+ ATOM 1000 CA ASP A 127 11.405 -12.643 -23.940 1.00 0.00 C
1002
+ ATOM 1001 C ASP A 127 12.874 -12.537 -23.537 1.00 0.00 C
1003
+ ATOM 1002 CB ASP A 127 11.262 -13.532 -25.177 1.00 0.00 C
1004
+ ATOM 1003 O ASP A 127 13.539 -13.552 -23.321 1.00 0.00 O
1005
+ ATOM 1004 CG ASP A 127 9.816 -13.854 -25.510 1.00 0.00 C
1006
+ ATOM 1005 OD1 ASP A 127 8.984 -13.963 -24.583 1.00 0.00 O
1007
+ ATOM 1006 OD2 ASP A 127 9.505 -14.004 -26.712 1.00 0.00 O
1008
+ ATOM 1007 N VAL A 128 13.385 -11.357 -23.422 1.00 0.00 N
1009
+ ATOM 1008 CA VAL A 128 14.790 -11.179 -23.070 1.00 0.00 C
1010
+ ATOM 1009 C VAL A 128 14.924 -10.975 -21.563 1.00 0.00 C
1011
+ ATOM 1010 CB VAL A 128 15.417 -9.987 -23.828 1.00 0.00 C
1012
+ ATOM 1011 O VAL A 128 14.194 -10.176 -20.972 1.00 0.00 O
1013
+ ATOM 1012 CG1 VAL A 128 16.828 -9.703 -23.314 1.00 0.00 C
1014
+ ATOM 1013 CG2 VAL A 128 15.437 -10.260 -25.330 1.00 0.00 C
1015
+ ATOM 1014 N VAL A 129 15.849 -11.713 -20.974 1.00 0.00 N
1016
+ ATOM 1015 CA VAL A 129 16.103 -11.647 -19.539 1.00 0.00 C
1017
+ ATOM 1016 C VAL A 129 17.523 -11.145 -19.286 1.00 0.00 C
1018
+ ATOM 1017 CB VAL A 129 15.895 -13.019 -18.861 1.00 0.00 C
1019
+ ATOM 1018 O VAL A 129 18.487 -11.697 -19.821 1.00 0.00 O
1020
+ ATOM 1019 CG1 VAL A 129 16.150 -12.925 -17.358 1.00 0.00 C
1021
+ ATOM 1020 CG2 VAL A 129 14.486 -13.542 -19.136 1.00 0.00 C
1022
+ ATOM 1021 N CYS A 130 17.609 -10.086 -18.587 1.00 0.00 N
1023
+ ATOM 1022 CA CYS A 130 18.863 -9.535 -18.084 1.00 0.00 C
1024
+ ATOM 1023 C CYS A 130 19.018 -9.804 -16.592 1.00 0.00 C
1025
+ ATOM 1024 CB CYS A 130 18.933 -8.032 -18.352 1.00 0.00 C
1026
+ ATOM 1025 O CYS A 130 18.080 -9.601 -15.820 1.00 0.00 O
1027
+ ATOM 1026 SG CYS A 130 20.317 -7.210 -17.531 1.00 0.00 S
1028
+ ATOM 1027 N THR A 131 20.188 -10.285 -16.193 1.00 0.00 N
1029
+ ATOM 1028 CA THR A 131 20.448 -10.598 -14.792 1.00 0.00 C
1030
+ ATOM 1029 C THR A 131 21.672 -9.840 -14.286 1.00 0.00 C
1031
+ ATOM 1030 CB THR A 131 20.657 -12.110 -14.587 1.00 0.00 C
1032
+ ATOM 1031 O THR A 131 22.714 -9.822 -14.945 1.00 0.00 O
1033
+ ATOM 1032 CG2 THR A 131 20.873 -12.442 -13.114 1.00 0.00 C
1034
+ ATOM 1033 OG1 THR A 131 19.502 -12.815 -15.059 1.00 0.00 O
1035
+ ATOM 1034 N LYS A 132 21.507 -9.248 -13.165 1.00 0.00 N
1036
+ ATOM 1035 CA LYS A 132 22.593 -8.580 -12.453 1.00 0.00 C
1037
+ ATOM 1036 C LYS A 132 22.731 -9.119 -11.031 1.00 0.00 C
1038
+ ATOM 1037 CB LYS A 132 22.364 -7.068 -12.420 1.00 0.00 C
1039
+ ATOM 1038 O LYS A 132 21.737 -9.256 -10.315 1.00 0.00 O
1040
+ ATOM 1039 CG LYS A 132 22.306 -6.421 -13.796 1.00 0.00 C
1041
+ ATOM 1040 CD LYS A 132 22.171 -4.907 -13.696 1.00 0.00 C
1042
+ ATOM 1041 CE LYS A 132 22.183 -4.252 -15.071 1.00 0.00 C
1043
+ ATOM 1042 NZ LYS A 132 22.132 -2.762 -14.975 1.00 0.00 N
1044
+ ATOM 1043 N VAL A 133 23.941 -9.405 -10.667 1.00 0.00 N
1045
+ ATOM 1044 CA VAL A 133 24.210 -9.947 -9.340 1.00 0.00 C
1046
+ ATOM 1045 C VAL A 133 25.083 -8.975 -8.551 1.00 0.00 C
1047
+ ATOM 1046 CB VAL A 133 24.891 -11.331 -9.420 1.00 0.00 C
1048
+ ATOM 1047 O VAL A 133 26.116 -8.517 -9.045 1.00 0.00 O
1049
+ ATOM 1048 CG1 VAL A 133 25.095 -11.916 -8.024 1.00 0.00 C
1050
+ ATOM 1049 CG2 VAL A 133 24.067 -12.282 -10.286 1.00 0.00 C
1051
+ ATOM 1050 N PHE A 134 24.612 -8.688 -7.320 1.00 0.00 N
1052
+ ATOM 1051 CA PHE A 134 25.305 -7.761 -6.434 1.00 0.00 C
1053
+ ATOM 1052 C PHE A 134 25.706 -8.449 -5.135 1.00 0.00 C
1054
+ ATOM 1053 CB PHE A 134 24.425 -6.543 -6.133 1.00 0.00 C
1055
+ ATOM 1054 O PHE A 134 25.075 -9.426 -4.723 1.00 0.00 O
1056
+ ATOM 1055 CG PHE A 134 23.914 -5.845 -7.364 1.00 0.00 C
1057
+ ATOM 1056 CD1 PHE A 134 24.541 -4.700 -7.840 1.00 0.00 C
1058
+ ATOM 1057 CD2 PHE A 134 22.807 -6.332 -8.044 1.00 0.00 C
1059
+ ATOM 1058 CE1 PHE A 134 24.071 -4.051 -8.980 1.00 0.00 C
1060
+ ATOM 1059 CE2 PHE A 134 22.330 -5.689 -9.182 1.00 0.00 C
1061
+ ATOM 1060 CZ PHE A 134 22.963 -4.548 -9.648 1.00 0.00 C
1062
+ ATOM 1061 N VAL A 135 26.727 -7.929 -4.543 1.00 0.00 N
1063
+ ATOM 1062 CA VAL A 135 27.122 -8.297 -3.188 1.00 0.00 C
1064
+ ATOM 1063 C VAL A 135 27.257 -7.041 -2.329 1.00 0.00 C
1065
+ ATOM 1064 CB VAL A 135 28.446 -9.093 -3.179 1.00 0.00 C
1066
+ ATOM 1065 O VAL A 135 27.462 -5.943 -2.853 1.00 0.00 O
1067
+ ATOM 1066 CG1 VAL A 135 28.285 -10.418 -3.923 1.00 0.00 C
1068
+ ATOM 1067 CG2 VAL A 135 29.571 -8.263 -3.797 1.00 0.00 C
1069
+ ATOM 1068 N ARG A 136 27.132 -7.170 -1.051 1.00 0.00 N
1070
+ ATOM 1069 CA ARG A 136 27.270 -6.029 -0.152 1.00 0.00 C
1071
+ ATOM 1070 C ARG A 136 28.684 -5.459 -0.205 1.00 0.00 C
1072
+ ATOM 1071 CB ARG A 136 26.918 -6.427 1.282 1.00 0.00 C
1073
+ ATOM 1072 O ARG A 136 29.654 -6.204 -0.355 1.00 0.00 O
1074
+ ATOM 1073 CG ARG A 136 25.440 -6.711 1.497 1.00 0.00 C
1075
+ ATOM 1074 CD ARG A 136 25.125 -6.979 2.962 1.00 0.00 C
1076
+ ATOM 1075 NE ARG A 136 23.758 -7.461 3.141 1.00 0.00 N
1077
+ ATOM 1076 NH1 ARG A 136 22.807 -5.357 3.231 1.00 0.00 N
1078
+ ATOM 1077 NH2 ARG A 136 21.491 -7.224 3.422 1.00 0.00 N
1079
+ ATOM 1078 CZ ARG A 136 22.689 -6.680 3.264 1.00 0.00 C
1080
+ ATOM 1079 N GLU A 137 28.838 -4.198 -0.129 1.00 0.00 N
1081
+ ATOM 1080 CA GLU A 137 30.160 -3.578 -0.085 1.00 0.00 C
1082
+ ATOM 1081 C GLU A 137 30.836 -3.814 1.262 1.00 0.00 C
1083
+ ATOM 1082 CB GLU A 137 30.059 -2.078 -0.368 1.00 0.00 C
1084
+ ATOM 1083 O GLU A 137 30.171 -3.841 2.300 1.00 0.00 O
1085
+ ATOM 1084 CG GLU A 137 29.767 -1.743 -1.824 1.00 0.00 C
1086
+ ATOM 1085 CD GLU A 137 29.790 -0.251 -2.113 1.00 0.00 C
1087
+ ATOM 1086 OE1 GLU A 137 29.787 0.554 -1.154 1.00 0.00 O
1088
+ ATOM 1087 OE2 GLU A 137 29.813 0.117 -3.310 1.00 0.00 O
1089
+ ATOM 1088 OXT GLU A 137 31.880 -3.877 0.657 1.00 0.00 O
1090
+ TER 1089 GLU A 137
1091
+ END
2g79/2g79_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2hwg/2hwg_ligand.mol2 ADDED
@@ -0,0 +1,27 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Sun Sep 9 21:50:27 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2hwg_ligand
7
+ 6 5 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 21.5630 -8.1150 19.2100 C.2 1 NON 0.0999
14
+ 2 C2 20.1000 -8.2180 19.0210 C.2 1 NON 0.0999
15
+ 3 O1 22.2150 -7.1730 18.6670 O.co2 1 NON -0.5500
16
+ 4 O2 19.5090 -7.4230 18.2520 O.co2 1 NON -0.5500
17
+ 5 O3 22.1230 -8.9780 19.9290 O.co2 1 NON -0.5500
18
+ 6 O4 19.4540 -9.0960 19.6480 O.co2 1 NON -0.5500
19
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+ 4 2 4 ar
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+ 5 2 6 ar
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 NON 1
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+
2hwg/2hwg_ligand.sdf ADDED
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+ -I-interpret-
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+ 6 8 1 0 0 0
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+ M END
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+ $$$$
2hwg/2hwg_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2hwg/2hwg_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2j34/2j34_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:54 2018
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+ ###
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+
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+ 2j34_ligand
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+
2j34/2j34_ligand.sdf ADDED
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+ M END
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+ $$$$