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1 Parent(s): 6799688

Add batch 140

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  1. 1b4z/1b4z_ligand.mol2 +133 -0
  2. 1b4z/1b4z_ligand.sdf +127 -0
  3. 1b4z/1b4z_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1b4z/1b4z_protein_processed_fix.pdb +0 -0
  5. 1cea/1cea_ligand.mol2 +59 -0
  6. 1cea/1cea_ligand.sdf +51 -0
  7. 1cea/1cea_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1cea/1cea_protein_processed_fix.pdb +0 -0
  9. 1dqx/1dqx_ligand.mol2 +83 -0
  10. 1dqx/1dqx_ligand.sdf +77 -0
  11. 1dqx/1dqx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1dqx/1dqx_protein_processed_fix.pdb +0 -0
  13. 1iyl/1iyl_ligand.mol2 +129 -0
  14. 1iyl/1iyl_ligand.sdf +119 -0
  15. 1iyl/1iyl_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1iyl/1iyl_protein_processed_fix.pdb +0 -0
  17. 1jm4/1jm4_ligand.mol2 +444 -0
  18. 1jm4/1jm4_ligand.sdf +428 -0
  19. 1jm4/1jm4_protein_esmfold_aligned_tr_fix.pdb +990 -0
  20. 1jm4/1jm4_protein_processed_fix.pdb +0 -0
  21. 1jwm/1jwm_ligand.mol2 +471 -0
  22. 1jwm/1jwm_ligand.sdf +463 -0
  23. 1jwm/1jwm_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1jwm/1jwm_protein_processed_fix.pdb +0 -0
  25. 1m21/1m21_ligand.mol2 +192 -0
  26. 1m21/1m21_ligand.sdf +182 -0
  27. 1m21/1m21_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1m21/1m21_protein_processed_fix.pdb +0 -0
  29. 1ms6/1ms6_ligand.mol2 +139 -0
  30. 1ms6/1ms6_ligand.sdf +129 -0
  31. 1ms6/1ms6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1ms6/1ms6_protein_processed_fix.pdb +0 -0
  33. 1msn/1msn_ligand.mol2 +175 -0
  34. 1msn/1msn_ligand.sdf +165 -0
  35. 1msn/1msn_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1msn/1msn_protein_processed_fix.pdb +0 -0
  37. 1rgj/1rgj_ligand.mol2 +467 -0
  38. 1rgj/1rgj_ligand.sdf +461 -0
  39. 1rgj/1rgj_protein_esmfold_aligned_tr_fix.pdb +552 -0
  40. 1rgj/1rgj_protein_processed_fix.pdb +1092 -0
  41. 1tg5/1tg5_ligand.mol2 +118 -0
  42. 1tg5/1tg5_ligand.sdf +108 -0
  43. 1tg5/1tg5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1tg5/1tg5_protein_processed_fix.pdb +0 -0
  45. 1u9q/1u9q_ligand.mol2 +125 -0
  46. 1u9q/1u9q_ligand.sdf +115 -0
  47. 1u9q/1u9q_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1u9q/1u9q_protein_processed_fix.pdb +0 -0
  49. 1ung/1ung_ligand.mol2 +92 -0
  50. 1ung/1ung_ligand.sdf +80 -0
1b4z/1b4z_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
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1b4z/1b4z_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1b4z/1b4z_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1cea/1cea_ligand.mol2 ADDED
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1cea/1cea_protein_processed_fix.pdb ADDED
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1dqx/1dqx_ligand.mol2 ADDED
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1dqx/1dqx_protein_processed_fix.pdb ADDED
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118
+ M END
119
+ $$$$
1iyl/1iyl_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1iyl/1iyl_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jm4/1jm4_ligand.mol2 ADDED
@@ -0,0 +1,444 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
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+ 1jm4_ligand
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+ 214 214 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
11
+
12
+ @<TRIPOS>ATOM
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+ 2 CA -19.8910 4.8830 -9.1900 C.3 1 SER 0.0885
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+ 3 C -18.5690 4.9890 -8.4270 C.2 1 SER 0.2291
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+ 4 O -18.5460 5.0430 -7.2130 O.2 1 SER -0.3906
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+ 5 CB -20.9430 5.7970 -8.5580 C.3 1 SER 0.1041
18
+ 6 OG -21.2300 6.8700 -9.4420 O.3 1 SER -0.3870
19
+ 7 N -17.4680 5.0220 -9.1270 N.am 1 TYR -0.2594
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+ 8 CA -16.1500 5.1280 -8.4380 C.3 1 TYR 0.1391
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+ 9 C -16.0150 4.0370 -7.3730 C.2 1 TYR 0.2055
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+ 10 O -16.8390 3.1490 -7.2730 O.2 1 TYR -0.3942
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+ 11 CB -16.1620 6.5110 -7.7840 C.3 1 TYR 0.0164
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+ 13 CD1 -14.0390 7.3190 -8.8780 C.ar 1 TYR -0.0685
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+ 14 CD2 -16.0840 8.5740 -9.2320 C.ar 1 TYR -0.0685
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+ 17 CZ -14.0150 9.3110 -10.2620 C.ar 1 TYR 0.0805
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+ 33 NH2 -23.4990 1.5330 -4.3930 N.pl3 1 ARG -0.2849
46
+ 34 OH -10.3000 -1.7090 2.2530 O.2 1 ALY -0.3974
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+ 35 CH -10.2050 -0.9330 1.3230 C.2 1 ALY 0.1729
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+ 40 CG -13.4720 1.8530 -0.3920 C.3 1 ALY -0.0470
53
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54
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63
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64
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+ 54 NZ -23.1880 1.2370 0.2830 N.4 1 LYS 0.2185
67
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68
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+ 57 C -20.7710 -3.8820 2.7750 C.2 1 ARG 0.2039
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74
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75
+ 63 CZ -22.7550 -2.2230 8.5600 C.cat 1 ARG 0.2882
76
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78
+ 66 N -21.0240 -5.1110 3.1310 N.am 1 ARG -0.2637
79
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+ 72 CD -19.9350 -9.7330 2.3790 C.3 1 ARG 0.0627
85
+ 73 NE -18.6850 -10.3430 1.8370 N.pl3 1 ARG -0.2723
86
+ 74 CZ -18.6360 -11.6190 1.5300 C.cat 1 ARG 0.2882
87
+ 75 NH1 -19.6810 -12.3930 1.6890 N.pl3 1 ARG -0.2849
88
+ 76 NH2 -17.5290 -12.1240 1.0580 N.pl3 1 ARG -0.2849
89
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90
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91
+ 79 C -24.5060 -7.2720 -0.4700 C.2 1 GLN 0.2040
92
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93
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94
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96
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97
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98
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99
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100
+ 88 C -27.2020 -8.8340 -0.6740 C.2 1 ARG 0.2034
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+ 89 O -28.1920 -8.1550 -0.8610 O.2 1 ARG -0.3944
102
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103
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104
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105
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106
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107
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+ 96 NH2 -30.1630 -12.6450 3.7810 N.pl3 1 ARG -0.2849
109
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110
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111
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113
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115
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116
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117
+ 105 H2 -20.6174 3.3014 -8.0926 H 1 SER 0.2016
118
+ 106 H3 -19.7997 2.8435 -9.4458 H 1 SER 0.2016
119
+ 107 H4 -19.7311 5.1442 -10.2465 H 1 SER 0.1122
120
+ 108 H5 -20.5582 6.1972 -7.6084 H 1 SER 0.0640
121
+ 109 H6 -21.8617 5.2225 -8.3684 H 1 SER 0.0640
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+ 110 H7 -21.8831 7.4368 -9.0487 H 1 SER 0.2099
123
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124
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125
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130
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132
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149
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150
+ 138 H35 -8.4540 0.2485 1.7846 H 1 ALY 0.0467
151
+ 139 H36 -11.4704 -0.9127 -0.2302 H 1 ALY 0.1850
152
+ 140 H37 -11.7727 0.8163 2.2517 H 1 ALY 0.0520
153
+ 141 H38 -13.1743 0.1218 1.3686 H 1 ALY 0.0520
154
+ 142 H39 -11.3465 1.4617 -0.4958 H 1 ALY 0.0285
155
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156
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157
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158
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159
+ 147 H44 -14.1247 1.9103 1.6729 H 1 ALY 0.0312
160
+ 148 H45 -15.0674 -0.1553 0.6380 H 1 ALY 0.0800
161
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162
+ 150 H47 -17.6328 -0.6677 0.6787 H 1 LYS 0.1883
163
+ 151 H48 -18.7089 0.8557 3.0756 H 1 LYS 0.0800
164
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165
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166
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167
+ 155 H52 -19.3529 -0.6665 -0.2785 H 1 LYS 0.0269
168
+ 156 H53 -21.3784 -0.6492 -1.5615 H 1 LYS 0.0317
169
+ 157 H54 -21.2140 1.0206 -0.9201 H 1 LYS 0.0317
170
+ 158 H55 -22.6399 -0.7069 0.9947 H 1 LYS 0.0813
171
+ 159 H56 -23.4588 -0.6931 -0.6040 H 1 LYS 0.0813
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+ 160 H57 -24.0851 1.2307 0.7425 H 1 LYS 0.1994
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+ 161 H58 -23.2652 1.7205 -0.5981 H 1 LYS 0.1994
174
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175
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176
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177
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178
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179
+ 167 H64 -22.9412 -1.5331 6.1723 H 1 ARG 0.0301
180
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181
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182
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183
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187
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188
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189
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191
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192
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193
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194
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195
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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
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217
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218
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219
+ 207 H104 -27.3901 -12.3144 2.2306 H 1 ARG 0.2615
220
+ 208 H105 -31.0765 -12.1834 3.8965 H 1 ARG 0.2615
221
+ 209 H106 -29.9592 -13.5179 4.2884 H 1 ARG 0.2615
222
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223
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224
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+ 213 H110 -25.9013 -10.9939 -3.3664 H 1 CYS 0.0415
226
+ 214 H111 -25.5316 -9.1651 -5.3212 H 1 CYS 0.1018
227
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+ M END
428
+ $$$$
1jm4/1jm4_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,990 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-21
2
+ ATOM 1 N GLY A 1 29.809 11.809 7.374 1.00 0.00 N
3
+ ATOM 2 CA GLY A 1 29.791 10.357 7.299 1.00 0.00 C
4
+ ATOM 3 C GLY A 1 28.432 9.796 6.924 1.00 0.00 C
5
+ ATOM 4 O GLY A 1 27.401 10.293 7.380 1.00 0.00 O
6
+ ATOM 5 N SER A 2 27.939 9.698 5.705 1.00 0.00 N
7
+ ATOM 6 CA SER A 2 26.618 9.366 5.182 1.00 0.00 C
8
+ ATOM 7 C SER A 2 25.686 8.891 6.292 1.00 0.00 C
9
+ ATOM 8 CB SER A 2 26.724 8.290 4.101 1.00 0.00 C
10
+ ATOM 9 O SER A 2 25.996 7.931 7.001 1.00 0.00 O
11
+ ATOM 10 OG SER A 2 25.645 7.376 4.191 1.00 0.00 O
12
+ ATOM 11 N HIS A 3 25.443 9.562 7.356 1.00 0.00 N
13
+ ATOM 12 CA HIS A 3 24.394 9.135 8.277 1.00 0.00 C
14
+ ATOM 13 C HIS A 3 23.357 8.269 7.567 1.00 0.00 C
15
+ ATOM 14 CB HIS A 3 23.716 10.347 8.916 1.00 0.00 C
16
+ ATOM 15 O HIS A 3 22.612 8.758 6.716 1.00 0.00 O
17
+ ATOM 16 CG HIS A 3 24.578 11.066 9.904 1.00 0.00 C
18
+ ATOM 17 CD2 HIS A 3 25.269 12.225 9.803 1.00 0.00 C
19
+ ATOM 18 ND1 HIS A 3 24.806 10.589 11.176 1.00 0.00 N
20
+ ATOM 19 CE1 HIS A 3 25.602 11.428 11.818 1.00 0.00 C
21
+ ATOM 20 NE2 HIS A 3 25.898 12.429 11.006 1.00 0.00 N
22
+ ATOM 21 N MET A 4 23.754 7.123 6.857 1.00 0.00 N
23
+ ATOM 22 CA MET A 4 23.096 5.908 6.383 1.00 0.00 C
24
+ ATOM 23 C MET A 4 21.927 5.535 7.287 1.00 0.00 C
25
+ ATOM 24 CB MET A 4 24.093 4.750 6.310 1.00 0.00 C
26
+ ATOM 25 O MET A 4 22.073 5.484 8.510 1.00 0.00 O
27
+ ATOM 26 CG MET A 4 25.091 4.871 5.170 1.00 0.00 C
28
+ ATOM 27 SD MET A 4 24.995 3.461 4.000 1.00 0.00 S
29
+ ATOM 28 CE MET A 4 25.583 2.117 5.067 1.00 0.00 C
30
+ ATOM 29 N SER A 5 20.814 6.187 7.240 1.00 0.00 N
31
+ ATOM 30 CA SER A 5 19.573 5.604 7.740 1.00 0.00 C
32
+ ATOM 31 C SER A 5 19.831 4.273 8.439 1.00 0.00 C
33
+ ATOM 32 CB SER A 5 18.576 5.406 6.598 1.00 0.00 C
34
+ ATOM 33 O SER A 5 20.618 3.454 7.956 1.00 0.00 O
35
+ ATOM 34 OG SER A 5 18.869 4.224 5.874 1.00 0.00 O
36
+ ATOM 35 N LYS A 6 20.166 4.255 9.763 1.00 0.00 N
37
+ ATOM 36 CA LYS A 6 20.278 3.105 10.656 1.00 0.00 C
38
+ ATOM 37 C LYS A 6 19.344 1.978 10.221 1.00 0.00 C
39
+ ATOM 38 CB LYS A 6 19.969 3.513 12.098 1.00 0.00 C
40
+ ATOM 39 O LYS A 6 18.322 1.729 10.863 1.00 0.00 O
41
+ ATOM 40 CG LYS A 6 21.088 4.292 12.773 1.00 0.00 C
42
+ ATOM 41 CD LYS A 6 20.776 4.559 14.241 1.00 0.00 C
43
+ ATOM 42 CE LYS A 6 21.865 5.395 14.901 1.00 0.00 C
44
+ ATOM 43 NZ LYS A 6 21.530 5.718 16.320 1.00 0.00 N
45
+ ATOM 44 N GLU A 7 19.151 1.727 8.982 1.00 0.00 N
46
+ ATOM 45 CA GLU A 7 18.470 0.457 8.748 1.00 0.00 C
47
+ ATOM 46 C GLU A 7 19.181 -0.690 9.460 1.00 0.00 C
48
+ ATOM 47 CB GLU A 7 18.373 0.166 7.249 1.00 0.00 C
49
+ ATOM 48 O GLU A 7 20.409 -0.783 9.424 1.00 0.00 O
50
+ ATOM 49 CG GLU A 7 17.302 -0.853 6.888 1.00 0.00 C
51
+ ATOM 50 CD GLU A 7 17.023 -0.928 5.396 1.00 0.00 C
52
+ ATOM 51 OE1 GLU A 7 17.661 -0.181 4.621 1.00 0.00 O
53
+ ATOM 52 OE2 GLU A 7 16.158 -1.740 4.998 1.00 0.00 O
54
+ ATOM 53 N PRO A 8 18.482 -1.386 10.432 1.00 0.00 N
55
+ ATOM 54 CA PRO A 8 19.167 -2.579 10.934 1.00 0.00 C
56
+ ATOM 55 C PRO A 8 19.876 -3.360 9.831 1.00 0.00 C
57
+ ATOM 56 CB PRO A 8 18.031 -3.405 11.544 1.00 0.00 C
58
+ ATOM 57 O PRO A 8 19.342 -3.502 8.727 1.00 0.00 O
59
+ ATOM 58 CG PRO A 8 16.890 -2.449 11.677 1.00 0.00 C
60
+ ATOM 59 CD PRO A 8 17.106 -1.314 10.716 1.00 0.00 C
61
+ ATOM 60 N ARG A 9 21.200 -3.625 9.931 1.00 0.00 N
62
+ ATOM 61 CA ARG A 9 21.967 -4.469 9.021 1.00 0.00 C
63
+ ATOM 62 C ARG A 9 21.528 -5.925 9.125 1.00 0.00 C
64
+ ATOM 63 CB ARG A 9 23.465 -4.351 9.310 1.00 0.00 C
65
+ ATOM 64 O ARG A 9 21.637 -6.682 8.158 1.00 0.00 O
66
+ ATOM 65 CG ARG A 9 24.069 -3.018 8.897 1.00 0.00 C
67
+ ATOM 66 CD ARG A 9 25.578 -2.997 9.095 1.00 0.00 C
68
+ ATOM 67 NE ARG A 9 26.089 -1.633 9.192 1.00 0.00 N
69
+ ATOM 68 NH1 ARG A 9 28.309 -2.256 9.349 1.00 0.00 N
70
+ ATOM 69 NH2 ARG A 9 27.730 -0.038 9.390 1.00 0.00 N
71
+ ATOM 70 CZ ARG A 9 27.376 -1.312 9.310 1.00 0.00 C
72
+ ATOM 71 N ASP A 10 20.903 -6.184 10.262 1.00 0.00 N
73
+ ATOM 72 CA ASP A 10 20.480 -7.560 10.506 1.00 0.00 C
74
+ ATOM 73 C ASP A 10 19.040 -7.781 10.047 1.00 0.00 C
75
+ ATOM 74 CB ASP A 10 20.619 -7.910 11.989 1.00 0.00 C
76
+ ATOM 75 O ASP A 10 18.111 -7.176 10.587 1.00 0.00 O
77
+ ATOM 76 CG ASP A 10 20.295 -9.363 12.289 1.00 0.00 C
78
+ ATOM 77 OD1 ASP A 10 19.848 -10.088 11.375 1.00 0.00 O
79
+ ATOM 78 OD2 ASP A 10 20.488 -9.784 13.449 1.00 0.00 O
80
+ ATOM 79 N PRO A 11 18.894 -8.594 9.001 1.00 0.00 N
81
+ ATOM 80 CA PRO A 11 17.552 -8.830 8.461 1.00 0.00 C
82
+ ATOM 81 C PRO A 11 16.564 -9.307 9.522 1.00 0.00 C
83
+ ATOM 82 CB PRO A 11 17.783 -9.912 7.403 1.00 0.00 C
84
+ ATOM 83 O PRO A 11 15.371 -9.003 9.441 1.00 0.00 O
85
+ ATOM 84 CG PRO A 11 19.212 -9.750 6.996 1.00 0.00 C
86
+ ATOM 85 CD PRO A 11 19.987 -9.233 8.173 1.00 0.00 C
87
+ ATOM 86 N ASP A 12 17.028 -10.024 10.474 1.00 0.00 N
88
+ ATOM 87 CA ASP A 12 16.132 -10.494 11.525 1.00 0.00 C
89
+ ATOM 88 C ASP A 12 15.675 -9.339 12.414 1.00 0.00 C
90
+ ATOM 89 CB ASP A 12 16.816 -11.570 12.371 1.00 0.00 C
91
+ ATOM 90 O ASP A 12 14.525 -9.308 12.856 1.00 0.00 O
92
+ ATOM 91 CG ASP A 12 16.955 -12.896 11.644 1.00 0.00 C
93
+ ATOM 92 OD1 ASP A 12 16.206 -13.143 10.675 1.00 0.00 O
94
+ ATOM 93 OD2 ASP A 12 17.822 -13.703 12.045 1.00 0.00 O
95
+ ATOM 94 N GLN A 13 16.588 -8.428 12.628 1.00 0.00 N
96
+ ATOM 95 CA GLN A 13 16.219 -7.260 13.421 1.00 0.00 C
97
+ ATOM 96 C GLN A 13 15.219 -6.382 12.674 1.00 0.00 C
98
+ ATOM 97 CB GLN A 13 17.460 -6.447 13.790 1.00 0.00 C
99
+ ATOM 98 O GLN A 13 14.257 -5.887 13.264 1.00 0.00 O
100
+ ATOM 99 CG GLN A 13 17.179 -5.294 14.745 1.00 0.00 C
101
+ ATOM 100 CD GLN A 13 18.440 -4.580 15.191 1.00 0.00 C
102
+ ATOM 101 NE2 GLN A 13 18.305 -3.695 16.173 1.00 0.00 N
103
+ ATOM 102 OE1 GLN A 13 19.528 -4.823 14.659 1.00 0.00 O
104
+ ATOM 103 N LEU A 14 15.506 -6.198 11.409 1.00 0.00 N
105
+ ATOM 104 CA LEU A 14 14.558 -5.441 10.599 1.00 0.00 C
106
+ ATOM 105 C LEU A 14 13.183 -6.101 10.613 1.00 0.00 C
107
+ ATOM 106 CB LEU A 14 15.063 -5.316 9.159 1.00 0.00 C
108
+ ATOM 107 O LEU A 14 12.170 -5.431 10.829 1.00 0.00 O
109
+ ATOM 108 CG LEU A 14 14.155 -4.563 8.186 1.00 0.00 C
110
+ ATOM 109 CD1 LEU A 14 13.922 -3.137 8.674 1.00 0.00 C
111
+ ATOM 110 CD2 LEU A 14 14.756 -4.562 6.785 1.00 0.00 C
112
+ ATOM 111 N TYR A 15 13.151 -7.372 10.379 1.00 0.00 N
113
+ ATOM 112 CA TYR A 15 11.900 -8.123 10.386 1.00 0.00 C
114
+ ATOM 113 C TYR A 15 11.145 -7.913 11.693 1.00 0.00 C
115
+ ATOM 114 CB TYR A 15 12.168 -9.615 10.171 1.00 0.00 C
116
+ ATOM 115 O TYR A 15 9.939 -7.654 11.686 1.00 0.00 O
117
+ ATOM 116 CG TYR A 15 10.944 -10.482 10.341 1.00 0.00 C
118
+ ATOM 117 CD1 TYR A 15 10.010 -10.612 9.314 1.00 0.00 C
119
+ ATOM 118 CD2 TYR A 15 10.718 -11.173 11.527 1.00 0.00 C
120
+ ATOM 119 CE1 TYR A 15 8.881 -11.408 9.466 1.00 0.00 C
121
+ ATOM 120 CE2 TYR A 15 9.591 -11.972 11.690 1.00 0.00 C
122
+ ATOM 121 OH TYR A 15 7.562 -12.873 10.811 1.00 0.00 O
123
+ ATOM 122 CZ TYR A 15 8.680 -12.083 10.656 1.00 0.00 C
124
+ ATOM 123 N SER A 16 11.881 -8.004 12.793 1.00 0.00 N
125
+ ATOM 124 CA SER A 16 11.247 -7.872 14.101 1.00 0.00 C
126
+ ATOM 125 C SER A 16 10.697 -6.464 14.309 1.00 0.00 C
127
+ ATOM 126 CB SER A 16 12.239 -8.210 15.215 1.00 0.00 C
128
+ ATOM 127 O SER A 16 9.607 -6.293 14.859 1.00 0.00 O
129
+ ATOM 128 OG SER A 16 12.642 -9.566 15.134 1.00 0.00 O
130
+ ATOM 129 N THR A 17 11.434 -5.484 13.872 1.00 0.00 N
131
+ ATOM 130 CA THR A 17 10.993 -4.099 14.001 1.00 0.00 C
132
+ ATOM 131 C THR A 17 9.756 -3.843 13.144 1.00 0.00 C
133
+ ATOM 132 CB THR A 17 12.110 -3.117 13.600 1.00 0.00 C
134
+ ATOM 133 O THR A 17 8.779 -3.256 13.614 1.00 0.00 O
135
+ ATOM 134 CG2 THR A 17 11.635 -1.671 13.706 1.00 0.00 C
136
+ ATOM 135 OG1 THR A 17 13.234 -3.304 14.467 1.00 0.00 O
137
+ ATOM 136 N LEU A 18 9.765 -4.298 11.922 1.00 0.00 N
138
+ ATOM 137 CA LEU A 18 8.632 -4.106 11.024 1.00 0.00 C
139
+ ATOM 138 C LEU A 18 7.406 -4.861 11.526 1.00 0.00 C
140
+ ATOM 139 CB LEU A 18 8.987 -4.567 9.608 1.00 0.00 C
141
+ ATOM 140 O LEU A 18 6.284 -4.358 11.442 1.00 0.00 O
142
+ ATOM 141 CG LEU A 18 10.130 -3.823 8.919 1.00 0.00 C
143
+ ATOM 142 CD1 LEU A 18 10.339 -4.361 7.507 1.00 0.00 C
144
+ ATOM 143 CD2 LEU A 18 9.851 -2.323 8.888 1.00 0.00 C
145
+ ATOM 144 N LYS A 19 7.631 -6.046 12.029 1.00 0.00 N
146
+ ATOM 145 CA LYS A 19 6.533 -6.829 12.589 1.00 0.00 C
147
+ ATOM 146 C LYS A 19 5.855 -6.085 13.735 1.00 0.00 C
148
+ ATOM 147 CB LYS A 19 7.036 -8.189 13.072 1.00 0.00 C
149
+ ATOM 148 O LYS A 19 4.625 -6.041 13.814 1.00 0.00 O
150
+ ATOM 149 CG LYS A 19 5.938 -9.109 13.586 1.00 0.00 C
151
+ ATOM 150 CD LYS A 19 6.492 -10.464 14.006 1.00 0.00 C
152
+ ATOM 151 CE LYS A 19 5.403 -11.364 14.571 1.00 0.00 C
153
+ ATOM 152 NZ LYS A 19 5.949 -12.682 15.015 1.00 0.00 N
154
+ ATOM 153 N SER A 20 6.697 -5.500 14.618 1.00 0.00 N
155
+ ATOM 154 CA SER A 20 6.164 -4.729 15.738 1.00 0.00 C
156
+ ATOM 155 C SER A 20 5.355 -3.532 15.249 1.00 0.00 C
157
+ ATOM 156 CB SER A 20 7.296 -4.252 16.648 1.00 0.00 C
158
+ ATOM 157 O SER A 20 4.258 -3.271 15.748 1.00 0.00 O
159
+ ATOM 158 OG SER A 20 6.788 -3.462 17.710 1.00 0.00 O
160
+ ATOM 159 N ILE A 21 5.816 -2.846 14.285 1.00 0.00 N
161
+ ATOM 160 CA ILE A 21 5.135 -1.671 13.752 1.00 0.00 C
162
+ ATOM 161 C ILE A 21 3.817 -2.087 13.105 1.00 0.00 C
163
+ ATOM 162 CB ILE A 21 6.020 -0.918 12.733 1.00 0.00 C
164
+ ATOM 163 O ILE A 21 2.774 -1.478 13.356 1.00 0.00 O
165
+ ATOM 164 CG1 ILE A 21 7.219 -0.275 13.439 1.00 0.00 C
166
+ ATOM 165 CG2 ILE A 21 5.200 0.133 11.979 1.00 0.00 C
167
+ ATOM 166 CD1 ILE A 21 8.292 0.241 12.491 1.00 0.00 C
168
+ ATOM 167 N LEU A 22 3.863 -3.145 12.260 1.00 0.00 N
169
+ ATOM 168 CA LEU A 22 2.661 -3.588 11.563 1.00 0.00 C
170
+ ATOM 169 C LEU A 22 1.599 -4.054 12.554 1.00 0.00 C
171
+ ATOM 170 CB LEU A 22 2.993 -4.719 10.585 1.00 0.00 C
172
+ ATOM 171 O LEU A 22 0.411 -3.776 12.373 1.00 0.00 O
173
+ ATOM 172 CG LEU A 22 1.859 -5.175 9.666 1.00 0.00 C
174
+ ATOM 173 CD1 LEU A 22 1.308 -3.992 8.876 1.00 0.00 C
175
+ ATOM 174 CD2 LEU A 22 2.342 -6.275 8.725 1.00 0.00 C
176
+ ATOM 175 N GLN A 23 2.002 -4.717 13.679 1.00 0.00 N
177
+ ATOM 176 CA GLN A 23 1.065 -5.133 14.718 1.00 0.00 C
178
+ ATOM 177 C GLN A 23 0.411 -3.926 15.384 1.00 0.00 C
179
+ ATOM 178 CB GLN A 23 1.773 -5.991 15.767 1.00 0.00 C
180
+ ATOM 179 O GLN A 23 -0.792 -3.935 15.652 1.00 0.00 O
181
+ ATOM 180 CG GLN A 23 2.052 -7.417 15.309 1.00 0.00 C
182
+ ATOM 181 CD GLN A 23 2.825 -8.223 16.337 1.00 0.00 C
183
+ ATOM 182 NE2 GLN A 23 2.784 -9.544 16.206 1.00 0.00 N
184
+ ATOM 183 OE1 GLN A 23 3.454 -7.661 17.239 1.00 0.00 O
185
+ ATOM 184 N GLN A 24 1.233 -2.909 15.604 1.00 0.00 N
186
+ ATOM 185 CA GLN A 24 0.683 -1.700 16.208 1.00 0.00 C
187
+ ATOM 186 C GLN A 24 -0.301 -1.012 15.267 1.00 0.00 C
188
+ ATOM 187 CB GLN A 24 1.805 -0.733 16.593 1.00 0.00 C
189
+ ATOM 188 O GLN A 24 -1.351 -0.533 15.700 1.00 0.00 O
190
+ ATOM 189 CG GLN A 24 2.643 -1.203 17.773 1.00 0.00 C
191
+ ATOM 190 CD GLN A 24 3.762 -0.239 18.120 1.00 0.00 C
192
+ ATOM 191 NE2 GLN A 24 5.001 -0.668 17.914 1.00 0.00 N
193
+ ATOM 192 OE1 GLN A 24 3.512 0.886 18.569 1.00 0.00 O
194
+ ATOM 193 N VAL A 25 -0.040 -0.959 14.052 1.00 0.00 N
195
+ ATOM 194 CA VAL A 25 -0.924 -0.349 13.065 1.00 0.00 C
196
+ ATOM 195 C VAL A 25 -2.225 -1.144 12.976 1.00 0.00 C
197
+ ATOM 196 CB VAL A 25 -0.253 -0.268 11.676 1.00 0.00 C
198
+ ATOM 197 O VAL A 25 -3.314 -0.566 12.987 1.00 0.00 O
199
+ ATOM 198 CG1 VAL A 25 -1.276 0.100 10.603 1.00 0.00 C
200
+ ATOM 199 CG2 VAL A 25 0.893 0.743 11.695 1.00 0.00 C
201
+ ATOM 200 N LYS A 26 -2.138 -2.459 12.948 1.00 0.00 N
202
+ ATOM 201 CA LYS A 26 -3.307 -3.325 12.828 1.00 0.00 C
203
+ ATOM 202 C LYS A 26 -4.202 -3.215 14.059 1.00 0.00 C
204
+ ATOM 203 CB LYS A 26 -2.878 -4.779 12.620 1.00 0.00 C
205
+ ATOM 204 O LYS A 26 -5.417 -3.395 13.967 1.00 0.00 O
206
+ ATOM 205 CG LYS A 26 -2.338 -5.072 11.229 1.00 0.00 C
207
+ ATOM 206 CD LYS A 26 -1.830 -6.503 11.116 1.00 0.00 C
208
+ ATOM 207 CE LYS A 26 -2.970 -7.509 11.192 1.00 0.00 C
209
+ ATOM 208 NZ LYS A 26 -2.495 -8.904 10.950 1.00 0.00 N
210
+ ATOM 209 N SER A 27 -3.615 -2.886 15.172 1.00 0.00 N
211
+ ATOM 210 CA SER A 27 -4.372 -2.855 16.418 1.00 0.00 C
212
+ ATOM 211 C SER A 27 -5.076 -1.514 16.606 1.00 0.00 C
213
+ ATOM 212 CB SER A 27 -3.455 -3.129 17.610 1.00 0.00 C
214
+ ATOM 213 O SER A 27 -5.884 -1.354 17.522 1.00 0.00 O
215
+ ATOM 214 OG SER A 27 -2.905 -4.433 17.532 1.00 0.00 O
216
+ ATOM 215 N HIS A 28 -4.696 -0.558 15.795 1.00 0.00 N
217
+ ATOM 216 CA HIS A 28 -5.301 0.764 15.912 1.00 0.00 C
218
+ ATOM 217 C HIS A 28 -6.787 0.722 15.569 1.00 0.00 C
219
+ ATOM 218 CB HIS A 28 -4.581 1.766 15.009 1.00 0.00 C
220
+ ATOM 219 O HIS A 28 -7.193 0.023 14.638 1.00 0.00 O
221
+ ATOM 220 CG HIS A 28 -4.856 3.194 15.357 1.00 0.00 C
222
+ ATOM 221 CD2 HIS A 28 -4.093 4.118 15.988 1.00 0.00 C
223
+ ATOM 222 ND1 HIS A 28 -6.046 3.818 15.053 1.00 0.00 N
224
+ ATOM 223 CE1 HIS A 28 -6.002 5.069 15.482 1.00 0.00 C
225
+ ATOM 224 NE2 HIS A 28 -4.829 5.275 16.053 1.00 0.00 N
226
+ ATOM 225 N GLN A 29 -7.591 1.488 16.244 1.00 0.00 N
227
+ ATOM 226 CA GLN A 29 -9.041 1.492 16.089 1.00 0.00 C
228
+ ATOM 227 C GLN A 29 -9.442 1.923 14.680 1.00 0.00 C
229
+ ATOM 228 CB GLN A 29 -9.689 2.412 17.124 1.00 0.00 C
230
+ ATOM 229 O GLN A 29 -10.506 1.540 14.188 1.00 0.00 O
231
+ ATOM 230 CG GLN A 29 -9.270 3.871 17.000 1.00 0.00 C
232
+ ATOM 231 CD GLN A 29 -9.943 4.765 18.023 1.00 0.00 C
233
+ ATOM 232 NE2 GLN A 29 -9.616 6.052 17.992 1.00 0.00 N
234
+ ATOM 233 OE1 GLN A 29 -10.751 4.303 18.835 1.00 0.00 O
235
+ ATOM 234 N SER A 30 -8.623 2.660 14.014 1.00 0.00 N
236
+ ATOM 235 CA SER A 30 -8.930 3.173 12.682 1.00 0.00 C
237
+ ATOM 236 C SER A 30 -8.420 2.231 11.597 1.00 0.00 C
238
+ ATOM 237 CB SER A 30 -8.322 4.563 12.490 1.00 0.00 C
239
+ ATOM 238 O SER A 30 -8.439 2.572 10.412 1.00 0.00 O
240
+ ATOM 239 OG SER A 30 -8.963 5.511 13.325 1.00 0.00 O
241
+ ATOM 240 N ALA A 31 -8.007 1.052 11.917 1.00 0.00 N
242
+ ATOM 241 CA ALA A 31 -7.353 0.187 10.941 1.00 0.00 C
243
+ ATOM 242 C ALA A 31 -8.368 -0.693 10.219 1.00 0.00 C
244
+ ATOM 243 CB ALA A 31 -6.293 -0.676 11.622 1.00 0.00 C
245
+ ATOM 244 O ALA A 31 -8.051 -1.314 9.201 1.00 0.00 O
246
+ ATOM 245 N TRP A 32 -9.603 -0.720 10.681 1.00 0.00 N
247
+ ATOM 246 CA TRP A 32 -10.583 -1.728 10.285 1.00 0.00 C
248
+ ATOM 247 C TRP A 32 -10.837 -1.678 8.782 1.00 0.00 C
249
+ ATOM 248 CB TRP A 32 -11.897 -1.530 11.046 1.00 0.00 C
250
+ ATOM 249 O TRP A 32 -11.051 -2.713 8.148 1.00 0.00 O
251
+ ATOM 250 CG TRP A 32 -12.553 -0.205 10.793 1.00 0.00 C
252
+ ATOM 251 CD1 TRP A 32 -12.429 0.932 11.542 1.00 0.00 C
253
+ ATOM 252 CD2 TRP A 32 -13.440 0.117 9.718 1.00 0.00 C
254
+ ATOM 253 CE2 TRP A 32 -13.815 1.469 9.877 1.00 0.00 C
255
+ ATOM 254 CE3 TRP A 32 -13.954 -0.608 8.633 1.00 0.00 C
256
+ ATOM 255 NE1 TRP A 32 -13.186 1.942 10.995 1.00 0.00 N
257
+ ATOM 256 CH2 TRP A 32 -15.171 1.380 7.939 1.00 0.00 C
258
+ ATOM 257 CZ2 TRP A 32 -14.684 2.112 8.991 1.00 0.00 C
259
+ ATOM 258 CZ3 TRP A 32 -14.817 0.035 7.753 1.00 0.00 C
260
+ ATOM 259 N PRO A 33 -10.778 -0.441 8.110 1.00 0.00 N
261
+ ATOM 260 CA PRO A 33 -11.032 -0.475 6.668 1.00 0.00 C
262
+ ATOM 261 C PRO A 33 -9.897 -1.130 5.884 1.00 0.00 C
263
+ ATOM 262 CB PRO A 33 -11.168 1.005 6.299 1.00 0.00 C
264
+ ATOM 263 O PRO A 33 -10.072 -1.477 4.713 1.00 0.00 O
265
+ ATOM 264 CG PRO A 33 -11.546 1.683 7.577 1.00 0.00 C
266
+ ATOM 265 CD PRO A 33 -10.849 0.988 8.711 1.00 0.00 C
267
+ ATOM 266 N PHE A 34 -8.734 -1.369 6.516 1.00 0.00 N
268
+ ATOM 267 CA PHE A 34 -7.527 -1.710 5.772 1.00 0.00 C
269
+ ATOM 268 C PHE A 34 -7.114 -3.151 6.041 1.00 0.00 C
270
+ ATOM 269 CB PHE A 34 -6.382 -0.758 6.136 1.00 0.00 C
271
+ ATOM 270 O PHE A 34 -6.113 -3.628 5.500 1.00 0.00 O
272
+ ATOM 271 CG PHE A 34 -6.732 0.697 5.987 1.00 0.00 C
273
+ ATOM 272 CD1 PHE A 34 -7.028 1.230 4.739 1.00 0.00 C
274
+ ATOM 273 CD2 PHE A 34 -6.765 1.533 7.096 1.00 0.00 C
275
+ ATOM 274 CE1 PHE A 34 -7.351 2.578 4.597 1.00 0.00 C
276
+ ATOM 275 CE2 PHE A 34 -7.088 2.880 6.962 1.00 0.00 C
277
+ ATOM 276 CZ PHE A 34 -7.379 3.401 5.712 1.00 0.00 C
278
+ ATOM 277 N MET A 35 -7.861 -3.853 6.868 1.00 0.00 N
279
+ ATOM 278 CA MET A 35 -7.449 -5.153 7.386 1.00 0.00 C
280
+ ATOM 279 C MET A 35 -7.394 -6.191 6.269 1.00 0.00 C
281
+ ATOM 280 CB MET A 35 -8.400 -5.620 8.488 1.00 0.00 C
282
+ ATOM 281 O MET A 35 -6.547 -7.086 6.288 1.00 0.00 O
283
+ ATOM 282 CG MET A 35 -8.294 -4.813 9.771 1.00 0.00 C
284
+ ATOM 283 SD MET A 35 -6.624 -4.903 10.525 1.00 0.00 S
285
+ ATOM 284 CE MET A 35 -6.658 -6.598 11.173 1.00 0.00 C
286
+ ATOM 285 N GLU A 36 -8.283 -6.120 5.260 1.00 0.00 N
287
+ ATOM 286 CA GLU A 36 -8.442 -7.083 4.174 1.00 0.00 C
288
+ ATOM 287 C GLU A 36 -8.567 -6.379 2.825 1.00 0.00 C
289
+ ATOM 288 CB GLU A 36 -9.664 -7.972 4.418 1.00 0.00 C
290
+ ATOM 289 O GLU A 36 -8.885 -5.189 2.768 1.00 0.00 O
291
+ ATOM 290 CG GLU A 36 -9.609 -8.747 5.727 1.00 0.00 C
292
+ ATOM 291 CD GLU A 36 -8.566 -9.853 5.726 1.00 0.00 C
293
+ ATOM 292 OE1 GLU A 36 -8.249 -10.387 4.638 1.00 0.00 O
294
+ ATOM 293 OE2 GLU A 36 -8.063 -10.190 6.820 1.00 0.00 O
295
+ ATOM 294 N PRO A 37 -8.180 -7.125 1.753 1.00 0.00 N
296
+ ATOM 295 CA PRO A 37 -8.424 -6.553 0.427 1.00 0.00 C
297
+ ATOM 296 C PRO A 37 -9.863 -6.078 0.243 1.00 0.00 C
298
+ ATOM 297 CB PRO A 37 -8.106 -7.712 -0.522 1.00 0.00 C
299
+ ATOM 298 O PRO A 37 -10.792 -6.698 0.765 1.00 0.00 O
300
+ ATOM 299 CG PRO A 37 -7.199 -8.607 0.259 1.00 0.00 C
301
+ ATOM 300 CD PRO A 37 -7.613 -8.565 1.702 1.00 0.00 C
302
+ ATOM 301 N VAL A 38 -9.990 -4.980 -0.415 1.00 0.00 N
303
+ ATOM 302 CA VAL A 38 -11.318 -4.441 -0.691 1.00 0.00 C
304
+ ATOM 303 C VAL A 38 -12.102 -5.419 -1.562 1.00 0.00 C
305
+ ATOM 304 CB VAL A 38 -11.238 -3.059 -1.379 1.00 0.00 C
306
+ ATOM 305 O VAL A 38 -11.603 -5.881 -2.590 1.00 0.00 O
307
+ ATOM 306 CG1 VAL A 38 -12.629 -2.582 -1.793 1.00 0.00 C
308
+ ATOM 307 CG2 VAL A 38 -10.573 -2.042 -0.454 1.00 0.00 C
309
+ ATOM 308 N LYS A 39 -13.232 -5.765 -1.156 1.00 0.00 N
310
+ ATOM 309 CA LYS A 39 -14.088 -6.651 -1.940 1.00 0.00 C
311
+ ATOM 310 C LYS A 39 -14.803 -5.887 -3.050 1.00 0.00 C
312
+ ATOM 311 CB LYS A 39 -15.111 -7.344 -1.038 1.00 0.00 C
313
+ ATOM 312 O LYS A 39 -15.325 -4.794 -2.821 1.00 0.00 O
314
+ ATOM 313 CG LYS A 39 -14.492 -8.221 0.041 1.00 0.00 C
315
+ ATOM 314 CD LYS A 39 -15.557 -8.849 0.930 1.00 0.00 C
316
+ ATOM 315 CE LYS A 39 -14.936 -9.665 2.057 1.00 0.00 C
317
+ ATOM 316 NZ LYS A 39 -15.974 -10.215 2.978 1.00 0.00 N
318
+ ATOM 317 N ARG A 40 -14.903 -6.516 -4.093 1.00 0.00 N
319
+ ATOM 318 CA ARG A 40 -15.573 -5.898 -5.232 1.00 0.00 C
320
+ ATOM 319 C ARG A 40 -17.040 -5.620 -4.921 1.00 0.00 C
321
+ ATOM 320 CB ARG A 40 -15.461 -6.792 -6.471 1.00 0.00 C
322
+ ATOM 321 O ARG A 40 -17.593 -4.611 -5.366 1.00 0.00 O
323
+ ATOM 322 CG ARG A 40 -14.066 -6.840 -7.070 1.00 0.00 C
324
+ ATOM 323 CD ARG A 40 -14.013 -7.729 -8.305 1.00 0.00 C
325
+ ATOM 324 NE ARG A 40 -12.659 -7.827 -8.842 1.00 0.00 N
326
+ ATOM 325 NH1 ARG A 40 -12.911 -6.096 -10.352 1.00 0.00 N
327
+ ATOM 326 NH2 ARG A 40 -10.919 -7.224 -10.216 1.00 0.00 N
328
+ ATOM 327 CZ ARG A 40 -12.165 -7.048 -9.802 1.00 0.00 C
329
+ ATOM 328 N THR A 41 -17.631 -6.436 -4.151 1.00 0.00 N
330
+ ATOM 329 CA THR A 41 -19.043 -6.298 -3.816 1.00 0.00 C
331
+ ATOM 330 C THR A 41 -19.268 -5.088 -2.914 1.00 0.00 C
332
+ ATOM 331 CB THR A 41 -19.579 -7.564 -3.123 1.00 0.00 C
333
+ ATOM 332 O THR A 41 -20.355 -4.506 -2.907 1.00 0.00 O
334
+ ATOM 333 CG2 THR A 41 -19.552 -8.762 -4.069 1.00 0.00 C
335
+ ATOM 334 OG1 THR A 41 -18.768 -7.856 -1.978 1.00 0.00 O
336
+ ATOM 335 N GLU A 42 -18.283 -4.620 -2.197 1.00 0.00 N
337
+ ATOM 336 CA GLU A 42 -18.413 -3.514 -1.251 1.00 0.00 C
338
+ ATOM 337 C GLU A 42 -18.058 -2.183 -1.905 1.00 0.00 C
339
+ ATOM 338 CB GLU A 42 -17.528 -3.751 -0.024 1.00 0.00 C
340
+ ATOM 339 O GLU A 42 -18.513 -1.126 -1.462 1.00 0.00 O
341
+ ATOM 340 CG GLU A 42 -17.962 -4.934 0.829 1.00 0.00 C
342
+ ATOM 341 CD GLU A 42 -17.016 -5.218 1.986 1.00 0.00 C
343
+ ATOM 342 OE1 GLU A 42 -15.971 -4.539 2.095 1.00 0.00 O
344
+ ATOM 343 OE2 GLU A 42 -17.324 -6.129 2.787 1.00 0.00 O
345
+ ATOM 344 N ALA A 43 -17.194 -2.260 -2.911 1.00 0.00 N
346
+ ATOM 345 CA ALA A 43 -16.745 -1.052 -3.598 1.00 0.00 C
347
+ ATOM 346 C ALA A 43 -16.684 -1.270 -5.107 1.00 0.00 C
348
+ ATOM 347 CB ALA A 43 -15.381 -0.615 -3.070 1.00 0.00 C
349
+ ATOM 348 O ALA A 43 -15.608 -1.505 -5.664 1.00 0.00 O
350
+ ATOM 349 N PRO A 44 -17.815 -1.115 -5.732 1.00 0.00 N
351
+ ATOM 350 CA PRO A 44 -17.819 -1.237 -7.192 1.00 0.00 C
352
+ ATOM 351 C PRO A 44 -16.967 -0.171 -7.876 1.00 0.00 C
353
+ ATOM 352 CB PRO A 44 -19.297 -1.073 -7.556 1.00 0.00 C
354
+ ATOM 353 O PRO A 44 -16.995 0.997 -7.476 1.00 0.00 O
355
+ ATOM 354 CG PRO A 44 -20.037 -1.375 -6.292 1.00 0.00 C
356
+ ATOM 355 CD PRO A 44 -19.180 -0.966 -5.129 1.00 0.00 C
357
+ ATOM 356 N GLY A 45 -16.088 -0.559 -8.780 1.00 0.00 N
358
+ ATOM 357 CA GLY A 45 -15.256 0.355 -9.545 1.00 0.00 C
359
+ ATOM 358 C GLY A 45 -13.904 0.609 -8.905 1.00 0.00 C
360
+ ATOM 359 O GLY A 45 -13.088 1.359 -9.444 1.00 0.00 O
361
+ ATOM 360 N TYR A 46 -13.731 0.156 -7.672 1.00 0.00 N
362
+ ATOM 361 CA TYR A 46 -12.491 0.364 -6.932 1.00 0.00 C
363
+ ATOM 362 C TYR A 46 -11.280 0.000 -7.783 1.00 0.00 C
364
+ ATOM 363 CB TYR A 46 -12.490 -0.462 -5.641 1.00 0.00 C
365
+ ATOM 364 O TYR A 46 -10.329 0.777 -7.884 1.00 0.00 O
366
+ ATOM 365 CG TYR A 46 -11.218 -0.333 -4.840 1.00 0.00 C
367
+ ATOM 366 CD1 TYR A 46 -10.966 0.802 -4.074 1.00 0.00 C
368
+ ATOM 367 CD2 TYR A 46 -10.266 -1.347 -4.847 1.00 0.00 C
369
+ ATOM 368 CE1 TYR A 46 -9.794 0.926 -3.335 1.00 0.00 C
370
+ ATOM 369 CE2 TYR A 46 -9.090 -1.234 -4.111 1.00 0.00 C
371
+ ATOM 370 OH TYR A 46 -7.702 0.022 -2.630 1.00 0.00 O
372
+ ATOM 371 CZ TYR A 46 -8.864 -0.095 -3.360 1.00 0.00 C
373
+ ATOM 372 N TYR A 47 -11.319 -1.198 -8.415 1.00 0.00 N
374
+ ATOM 373 CA TYR A 47 -10.140 -1.713 -9.102 1.00 0.00 C
375
+ ATOM 374 C TYR A 47 -9.982 -1.066 -10.472 1.00 0.00 C
376
+ ATOM 375 CB TYR A 47 -10.226 -3.235 -9.250 1.00 0.00 C
377
+ ATOM 376 O TYR A 47 -8.957 -1.241 -11.134 1.00 0.00 O
378
+ ATOM 377 CG TYR A 47 -10.056 -3.983 -7.950 1.00 0.00 C
379
+ ATOM 378 CD1 TYR A 47 -8.789 -4.333 -7.487 1.00 0.00 C
380
+ ATOM 379 CD2 TYR A 47 -11.159 -4.340 -7.182 1.00 0.00 C
381
+ ATOM 380 CE1 TYR A 47 -8.627 -5.023 -6.290 1.00 0.00 C
382
+ ATOM 381 CE2 TYR A 47 -11.008 -5.030 -5.984 1.00 0.00 C
383
+ ATOM 382 OH TYR A 47 -9.586 -6.049 -4.361 1.00 0.00 O
384
+ ATOM 383 CZ TYR A 47 -9.741 -5.366 -5.547 1.00 0.00 C
385
+ ATOM 384 N GLU A 48 -10.970 -0.339 -10.886 1.00 0.00 N
386
+ ATOM 385 CA GLU A 48 -10.854 0.517 -12.063 1.00 0.00 C
387
+ ATOM 386 C GLU A 48 -10.080 1.793 -11.743 1.00 0.00 C
388
+ ATOM 387 CB GLU A 48 -12.238 0.866 -12.615 1.00 0.00 C
389
+ ATOM 388 O GLU A 48 -9.385 2.336 -12.604 1.00 0.00 O
390
+ ATOM 389 CG GLU A 48 -12.971 -0.318 -13.231 1.00 0.00 C
391
+ ATOM 390 CD GLU A 48 -13.651 -1.204 -12.199 1.00 0.00 C
392
+ ATOM 391 OE1 GLU A 48 -13.665 -0.841 -11.001 1.00 0.00 O
393
+ ATOM 392 OE2 GLU A 48 -14.176 -2.271 -12.593 1.00 0.00 O
394
+ ATOM 393 N VAL A 49 -10.221 2.292 -10.501 1.00 0.00 N
395
+ ATOM 394 CA VAL A 49 -9.594 3.530 -10.052 1.00 0.00 C
396
+ ATOM 395 C VAL A 49 -8.228 3.227 -9.440 1.00 0.00 C
397
+ ATOM 396 CB VAL A 49 -10.481 4.276 -9.030 1.00 0.00 C
398
+ ATOM 397 O VAL A 49 -7.247 3.918 -9.723 1.00 0.00 O
399
+ ATOM 398 CG1 VAL A 49 -9.747 5.490 -8.463 1.00 0.00 C
400
+ ATOM 399 CG2 VAL A 49 -11.798 4.700 -9.678 1.00 0.00 C
401
+ ATOM 400 N ILE A 50 -8.186 2.193 -8.668 1.00 0.00 N
402
+ ATOM 401 CA ILE A 50 -6.962 1.864 -7.946 1.00 0.00 C
403
+ ATOM 402 C ILE A 50 -6.194 0.782 -8.702 1.00 0.00 C
404
+ ATOM 403 CB ILE A 50 -7.262 1.399 -6.504 1.00 0.00 C
405
+ ATOM 404 O ILE A 50 -6.589 -0.387 -8.699 1.00 0.00 O
406
+ ATOM 405 CG1 ILE A 50 -8.038 2.482 -5.745 1.00 0.00 C
407
+ ATOM 406 CG2 ILE A 50 -5.967 1.037 -5.771 1.00 0.00 C
408
+ ATOM 407 CD1 ILE A 50 -7.366 3.848 -5.757 1.00 0.00 C
409
+ ATOM 408 N ARG A 51 -5.068 1.080 -9.215 1.00 0.00 N
410
+ ATOM 409 CA ARG A 51 -4.293 0.185 -10.071 1.00 0.00 C
411
+ ATOM 410 C ARG A 51 -3.447 -0.772 -9.238 1.00 0.00 C
412
+ ATOM 411 CB ARG A 51 -3.398 0.988 -11.017 1.00 0.00 C
413
+ ATOM 412 O ARG A 51 -3.246 -1.925 -9.622 1.00 0.00 O
414
+ ATOM 413 CG ARG A 51 -2.638 0.133 -12.019 1.00 0.00 C
415
+ ATOM 414 CD ARG A 51 -1.946 0.982 -13.075 1.00 0.00 C
416
+ ATOM 415 NE ARG A 51 -1.171 0.163 -14.002 1.00 0.00 N
417
+ ATOM 416 NH1 ARG A 51 -1.162 1.729 -15.702 1.00 0.00 N
418
+ ATOM 417 NH2 ARG A 51 -0.110 -0.287 -15.989 1.00 0.00 N
419
+ ATOM 418 CZ ARG A 51 -0.816 0.537 -15.229 1.00 0.00 C
420
+ ATOM 419 N PHE A 52 -3.097 -0.318 -8.057 1.00 0.00 N
421
+ ATOM 420 CA PHE A 52 -2.234 -1.134 -7.210 1.00 0.00 C
422
+ ATOM 421 C PHE A 52 -2.802 -1.242 -5.801 1.00 0.00 C
423
+ ATOM 422 CB PHE A 52 -0.818 -0.548 -7.162 1.00 0.00 C
424
+ ATOM 423 O PHE A 52 -2.352 -0.545 -4.889 1.00 0.00 O
425
+ ATOM 424 CG PHE A 52 -0.175 -0.404 -8.515 1.00 0.00 C
426
+ ATOM 425 CD1 PHE A 52 0.299 -1.516 -9.197 1.00 0.00 C
427
+ ATOM 426 CD2 PHE A 52 -0.044 0.848 -9.104 1.00 0.00 C
428
+ ATOM 427 CE1 PHE A 52 0.895 -1.385 -10.450 1.00 0.00 C
429
+ ATOM 428 CE2 PHE A 52 0.550 0.987 -10.355 1.00 0.00 C
430
+ ATOM 429 CZ PHE A 52 1.020 -0.131 -11.025 1.00 0.00 C
431
+ ATOM 430 N PRO A 53 -3.715 -2.193 -5.672 1.00 0.00 N
432
+ ATOM 431 CA PRO A 53 -4.347 -2.343 -4.359 1.00 0.00 C
433
+ ATOM 432 C PRO A 53 -3.394 -2.903 -3.307 1.00 0.00 C
434
+ ATOM 433 CB PRO A 53 -5.495 -3.318 -4.630 1.00 0.00 C
435
+ ATOM 434 O PRO A 53 -2.479 -3.661 -3.637 1.00 0.00 O
436
+ ATOM 435 CG PRO A 53 -5.715 -3.250 -6.107 1.00 0.00 C
437
+ ATOM 436 CD PRO A 53 -4.412 -2.901 -6.768 1.00 0.00 C
438
+ ATOM 437 N MET A 54 -3.550 -2.513 -2.080 1.00 0.00 N
439
+ ATOM 438 CA MET A 54 -2.770 -2.984 -0.940 1.00 0.00 C
440
+ ATOM 439 C MET A 54 -3.602 -2.952 0.339 1.00 0.00 C
441
+ ATOM 440 CB MET A 54 -1.508 -2.138 -0.764 1.00 0.00 C
442
+ ATOM 441 O MET A 54 -4.485 -2.106 0.488 1.00 0.00 O
443
+ ATOM 442 CG MET A 54 -0.537 -2.692 0.266 1.00 0.00 C
444
+ ATOM 443 SD MET A 54 -0.026 -4.415 -0.106 1.00 0.00 S
445
+ ATOM 444 CE MET A 54 0.970 -4.139 -1.597 1.00 0.00 C
446
+ ATOM 445 N ASP A 55 -3.360 -3.863 1.221 1.00 0.00 N
447
+ ATOM 446 CA ASP A 55 -4.052 -3.993 2.501 1.00 0.00 C
448
+ ATOM 447 C ASP A 55 -3.139 -4.604 3.560 1.00 0.00 C
449
+ ATOM 448 CB ASP A 55 -5.317 -4.841 2.343 1.00 0.00 C
450
+ ATOM 449 O ASP A 55 -2.040 -5.068 3.248 1.00 0.00 O
451
+ ATOM 450 CG ASP A 55 -5.021 -6.283 1.968 1.00 0.00 C
452
+ ATOM 451 OD1 ASP A 55 -4.966 -7.149 2.867 1.00 0.00 O
453
+ ATOM 452 OD2 ASP A 55 -4.836 -6.554 0.761 1.00 0.00 O
454
+ ATOM 453 N LEU A 56 -3.596 -4.635 4.803 1.00 0.00 N
455
+ ATOM 454 CA LEU A 56 -2.706 -5.033 5.888 1.00 0.00 C
456
+ ATOM 455 C LEU A 56 -2.542 -6.550 5.929 1.00 0.00 C
457
+ ATOM 456 CB LEU A 56 -3.241 -4.531 7.232 1.00 0.00 C
458
+ ATOM 457 O LEU A 56 -1.504 -7.055 6.361 1.00 0.00 O
459
+ ATOM 458 CG LEU A 56 -3.297 -3.014 7.415 1.00 0.00 C
460
+ ATOM 459 CD1 LEU A 56 -3.851 -2.665 8.792 1.00 0.00 C
461
+ ATOM 460 CD2 LEU A 56 -1.915 -2.400 7.219 1.00 0.00 C
462
+ ATOM 461 N LYS A 57 -3.495 -7.332 5.456 1.00 0.00 N
463
+ ATOM 462 CA LYS A 57 -3.344 -8.779 5.346 1.00 0.00 C
464
+ ATOM 463 C LYS A 57 -2.260 -9.144 4.336 1.00 0.00 C
465
+ ATOM 464 CB LYS A 57 -4.670 -9.429 4.949 1.00 0.00 C
466
+ ATOM 465 O LYS A 57 -1.421 -10.006 4.602 1.00 0.00 O
467
+ ATOM 466 CG LYS A 57 -4.603 -10.943 4.817 1.00 0.00 C
468
+ ATOM 467 CD LYS A 57 -5.969 -11.538 4.498 1.00 0.00 C
469
+ ATOM 468 CE LYS A 57 -5.891 -13.046 4.303 1.00 0.00 C
470
+ ATOM 469 NZ LYS A 57 -7.232 -13.637 4.018 1.00 0.00 N
471
+ ATOM 470 N THR A 58 -2.283 -8.478 3.155 1.00 0.00 N
472
+ ATOM 471 CA THR A 58 -1.246 -8.674 2.148 1.00 0.00 C
473
+ ATOM 472 C THR A 58 0.125 -8.296 2.702 1.00 0.00 C
474
+ ATOM 473 CB THR A 58 -1.537 -7.850 0.880 1.00 0.00 C
475
+ ATOM 474 O THR A 58 1.104 -9.017 2.497 1.00 0.00 O
476
+ ATOM 475 CG2 THR A 58 -0.458 -8.067 -0.175 1.00 0.00 C
477
+ ATOM 476 OG1 THR A 58 -2.803 -8.245 0.340 1.00 0.00 O
478
+ ATOM 477 N MET A 59 0.142 -7.234 3.432 1.00 0.00 N
479
+ ATOM 478 CA MET A 59 1.410 -6.811 4.019 1.00 0.00 C
480
+ ATOM 479 C MET A 59 1.907 -7.834 5.036 1.00 0.00 C
481
+ ATOM 480 CB MET A 59 1.266 -5.441 4.684 1.00 0.00 C
482
+ ATOM 481 O MET A 59 3.106 -8.105 5.114 1.00 0.00 O
483
+ ATOM 482 CG MET A 59 1.095 -4.296 3.698 1.00 0.00 C
484
+ ATOM 483 SD MET A 59 1.194 -2.652 4.506 1.00 0.00 S
485
+ ATOM 484 CE MET A 59 2.967 -2.586 4.885 1.00 0.00 C
486
+ ATOM 485 N SER A 60 0.996 -8.375 5.848 1.00 0.00 N
487
+ ATOM 486 CA SER A 60 1.371 -9.410 6.808 1.00 0.00 C
488
+ ATOM 487 C SER A 60 1.957 -10.629 6.105 1.00 0.00 C
489
+ ATOM 488 CB SER A 60 0.163 -9.826 7.647 1.00 0.00 C
490
+ ATOM 489 O SER A 60 2.956 -11.193 6.556 1.00 0.00 O
491
+ ATOM 490 OG SER A 60 -0.258 -8.763 8.485 1.00 0.00 O
492
+ ATOM 491 N GLU A 61 1.318 -10.991 5.008 1.00 0.00 N
493
+ ATOM 492 CA GLU A 61 1.817 -12.129 4.244 1.00 0.00 C
494
+ ATOM 493 C GLU A 61 3.187 -11.832 3.642 1.00 0.00 C
495
+ ATOM 494 CB GLU A 61 0.828 -12.510 3.138 1.00 0.00 C
496
+ ATOM 495 O GLU A 61 4.084 -12.677 3.679 1.00 0.00 O
497
+ ATOM 496 CG GLU A 61 -0.473 -13.106 3.655 1.00 0.00 C
498
+ ATOM 497 CD GLU A 61 -1.464 -13.432 2.549 1.00 0.00 C
499
+ ATOM 498 OE1 GLU A 61 -1.205 -13.077 1.377 1.00 0.00 O
500
+ ATOM 499 OE2 GLU A 61 -2.510 -14.047 2.859 1.00 0.00 O
501
+ ATOM 500 N ARG A 62 3.383 -10.618 3.141 1.00 0.00 N
502
+ ATOM 501 CA ARG A 62 4.679 -10.237 2.589 1.00 0.00 C
503
+ ATOM 502 C ARG A 62 5.757 -10.243 3.668 1.00 0.00 C
504
+ ATOM 503 CB ARG A 62 4.601 -8.856 1.935 1.00 0.00 C
505
+ ATOM 504 O ARG A 62 6.870 -10.723 3.440 1.00 0.00 O
506
+ ATOM 505 CG ARG A 62 3.950 -8.861 0.561 1.00 0.00 C
507
+ ATOM 506 CD ARG A 62 3.886 -7.463 -0.037 1.00 0.00 C
508
+ ATOM 507 NE ARG A 62 3.423 -7.491 -1.422 1.00 0.00 N
509
+ ATOM 508 NH1 ARG A 62 3.665 -5.218 -1.765 1.00 0.00 N
510
+ ATOM 509 NH2 ARG A 62 2.895 -6.561 -3.455 1.00 0.00 N
511
+ ATOM 510 CZ ARG A 62 3.329 -6.423 -2.211 1.00 0.00 C
512
+ ATOM 511 N LEU A 63 5.355 -9.748 4.798 1.00 0.00 N
513
+ ATOM 512 CA LEU A 63 6.308 -9.685 5.900 1.00 0.00 C
514
+ ATOM 513 C LEU A 63 6.719 -11.085 6.344 1.00 0.00 C
515
+ ATOM 514 CB LEU A 63 5.713 -8.917 7.082 1.00 0.00 C
516
+ ATOM 515 O LEU A 63 7.909 -11.365 6.508 1.00 0.00 O
517
+ ATOM 516 CG LEU A 63 6.627 -8.716 8.291 1.00 0.00 C
518
+ ATOM 517 CD1 LEU A 63 7.895 -7.974 7.880 1.00 0.00 C
519
+ ATOM 518 CD2 LEU A 63 5.896 -7.964 9.397 1.00 0.00 C
520
+ ATOM 519 N LYS A 64 5.769 -11.945 6.528 1.00 0.00 N
521
+ ATOM 520 CA LYS A 64 6.013 -13.322 6.948 1.00 0.00 C
522
+ ATOM 521 C LYS A 64 6.912 -14.049 5.952 1.00 0.00 C
523
+ ATOM 522 CB LYS A 64 4.692 -14.076 7.110 1.00 0.00 C
524
+ ATOM 523 O LYS A 64 7.708 -14.907 6.338 1.00 0.00 O
525
+ ATOM 524 CG LYS A 64 4.851 -15.499 7.624 1.00 0.00 C
526
+ ATOM 525 CD LYS A 64 3.503 -16.193 7.774 1.00 0.00 C
527
+ ATOM 526 CE LYS A 64 3.667 -17.647 8.194 1.00 0.00 C
528
+ ATOM 527 NZ LYS A 64 2.346 -18.319 8.391 1.00 0.00 N
529
+ ATOM 528 N ASN A 65 6.825 -13.693 4.704 1.00 0.00 N
530
+ ATOM 529 CA ASN A 65 7.593 -14.341 3.645 1.00 0.00 C
531
+ ATOM 530 C ASN A 65 8.912 -13.618 3.384 1.00 0.00 C
532
+ ATOM 531 CB ASN A 65 6.770 -14.425 2.359 1.00 0.00 C
533
+ ATOM 532 O ASN A 65 9.571 -13.868 2.375 1.00 0.00 O
534
+ ATOM 533 CG ASN A 65 5.633 -15.423 2.457 1.00 0.00 C
535
+ ATOM 534 ND2 ASN A 65 4.498 -15.091 1.852 1.00 0.00 N
536
+ ATOM 535 OD1 ASN A 65 5.773 -16.484 3.071 1.00 0.00 O
537
+ ATOM 536 N ARG A 66 9.308 -12.771 4.247 1.00 0.00 N
538
+ ATOM 537 CA ARG A 66 10.574 -12.046 4.220 1.00 0.00 C
539
+ ATOM 538 C ARG A 66 10.707 -11.225 2.942 1.00 0.00 C
540
+ ATOM 539 CB ARG A 66 11.752 -13.016 4.343 1.00 0.00 C
541
+ ATOM 540 O ARG A 66 11.806 -11.077 2.403 1.00 0.00 O
542
+ ATOM 541 CG ARG A 66 11.764 -13.809 5.641 1.00 0.00 C
543
+ ATOM 542 CD ARG A 66 12.171 -12.944 6.826 1.00 0.00 C
544
+ ATOM 543 NE ARG A 66 12.492 -13.753 7.998 1.00 0.00 N
545
+ ATOM 544 NH1 ARG A 66 13.343 -11.996 9.234 1.00 0.00 N
546
+ ATOM 545 NH2 ARG A 66 13.290 -14.109 10.122 1.00 0.00 N
547
+ ATOM 546 CZ ARG A 66 13.041 -13.284 9.116 1.00 0.00 C
548
+ ATOM 547 N TYR A 67 9.602 -10.668 2.425 1.00 0.00 N
549
+ ATOM 548 CA TYR A 67 9.575 -9.831 1.230 1.00 0.00 C
550
+ ATOM 549 C TYR A 67 10.230 -8.481 1.496 1.00 0.00 C
551
+ ATOM 550 CB TYR A 67 8.136 -9.628 0.749 1.00 0.00 C
552
+ ATOM 551 O TYR A 67 10.902 -7.927 0.623 1.00 0.00 O
553
+ ATOM 552 CG TYR A 67 8.011 -8.651 -0.394 1.00 0.00 C
554
+ ATOM 553 CD1 TYR A 67 7.579 -7.344 -0.176 1.00 0.00 C
555
+ ATOM 554 CD2 TYR A 67 8.322 -9.031 -1.695 1.00 0.00 C
556
+ ATOM 555 CE1 TYR A 67 7.460 -6.441 -1.227 1.00 0.00 C
557
+ ATOM 556 CE2 TYR A 67 8.207 -8.136 -2.753 1.00 0.00 C
558
+ ATOM 557 OH TYR A 67 7.661 -5.955 -3.554 1.00 0.00 O
559
+ ATOM 558 CZ TYR A 67 7.777 -6.845 -2.510 1.00 0.00 C
560
+ ATOM 559 N TYR A 68 10.026 -7.915 2.590 1.00 0.00 N
561
+ ATOM 560 CA TYR A 68 10.516 -6.579 2.912 1.00 0.00 C
562
+ ATOM 561 C TYR A 68 11.975 -6.624 3.350 1.00 0.00 C
563
+ ATOM 562 CB TYR A 68 9.661 -5.944 4.014 1.00 0.00 C
564
+ ATOM 563 O TYR A 68 12.270 -6.769 4.538 1.00 0.00 O
565
+ ATOM 564 CG TYR A 68 8.221 -5.732 3.617 1.00 0.00 C
566
+ ATOM 565 CD1 TYR A 68 7.890 -4.946 2.516 1.00 0.00 C
567
+ ATOM 566 CD2 TYR A 68 7.188 -6.314 4.344 1.00 0.00 C
568
+ ATOM 567 CE1 TYR A 68 6.563 -4.746 2.147 1.00 0.00 C
569
+ ATOM 568 CE2 TYR A 68 5.857 -6.121 3.985 1.00 0.00 C
570
+ ATOM 569 OH TYR A 68 4.242 -5.141 2.526 1.00 0.00 O
571
+ ATOM 570 CZ TYR A 68 5.556 -5.336 2.886 1.00 0.00 C
572
+ ATOM 571 N VAL A 69 12.874 -6.379 2.463 1.00 0.00 N
573
+ ATOM 572 CA VAL A 69 14.314 -6.407 2.692 1.00 0.00 C
574
+ ATOM 573 C VAL A 69 14.806 -5.011 3.066 1.00 0.00 C
575
+ ATOM 574 CB VAL A 69 15.077 -6.925 1.452 1.00 0.00 C
576
+ ATOM 575 O VAL A 69 15.987 -4.820 3.364 1.00 0.00 O
577
+ ATOM 576 CG1 VAL A 69 14.696 -8.373 1.150 1.00 0.00 C
578
+ ATOM 577 CG2 VAL A 69 14.797 -6.034 0.243 1.00 0.00 C
579
+ ATOM 578 N SER A 70 13.920 -4.096 3.073 1.00 0.00 N
580
+ ATOM 579 CA SER A 70 14.243 -2.731 3.472 1.00 0.00 C
581
+ ATOM 580 C SER A 70 13.024 -2.021 4.052 1.00 0.00 C
582
+ ATOM 581 CB SER A 70 14.786 -1.938 2.283 1.00 0.00 C
583
+ ATOM 582 O SER A 70 11.887 -2.337 3.695 1.00 0.00 O
584
+ ATOM 583 OG SER A 70 13.758 -1.667 1.346 1.00 0.00 O
585
+ ATOM 584 N LYS A 71 13.231 -1.115 4.915 1.00 0.00 N
586
+ ATOM 585 CA LYS A 71 12.142 -0.326 5.483 1.00 0.00 C
587
+ ATOM 586 C LYS A 71 11.431 0.486 4.405 1.00 0.00 C
588
+ ATOM 587 CB LYS A 71 12.669 0.604 6.577 1.00 0.00 C
589
+ ATOM 588 O LYS A 71 10.242 0.790 4.530 1.00 0.00 O
590
+ ATOM 589 CG LYS A 71 13.688 1.623 6.086 1.00 0.00 C
591
+ ATOM 590 CD LYS A 71 14.184 2.509 7.223 1.00 0.00 C
592
+ ATOM 591 CE LYS A 71 15.213 3.520 6.734 1.00 0.00 C
593
+ ATOM 592 NZ LYS A 71 15.833 4.270 7.868 1.00 0.00 N
594
+ ATOM 593 N LYS A 72 12.166 0.853 3.351 1.00 0.00 N
595
+ ATOM 594 CA LYS A 72 11.570 1.665 2.294 1.00 0.00 C
596
+ ATOM 595 C LYS A 72 10.431 0.918 1.603 1.00 0.00 C
597
+ ATOM 596 CB LYS A 72 12.628 2.071 1.268 1.00 0.00 C
598
+ ATOM 597 O LYS A 72 9.380 1.500 1.326 1.00 0.00 O
599
+ ATOM 598 CG LYS A 72 13.569 3.166 1.749 1.00 0.00 C
600
+ ATOM 599 CD LYS A 72 14.526 3.606 0.648 1.00 0.00 C
601
+ ATOM 600 CE LYS A 72 15.506 4.658 1.145 1.00 0.00 C
602
+ ATOM 601 NZ LYS A 72 16.472 5.064 0.080 1.00 0.00 N
603
+ ATOM 602 N LEU A 73 10.668 -0.361 1.288 1.00 0.00 N
604
+ ATOM 603 CA LEU A 73 9.621 -1.161 0.661 1.00 0.00 C
605
+ ATOM 604 C LEU A 73 8.402 -1.271 1.571 1.00 0.00 C
606
+ ATOM 605 CB LEU A 73 10.146 -2.558 0.320 1.00 0.00 C
607
+ ATOM 606 O LEU A 73 7.265 -1.146 1.111 1.00 0.00 O
608
+ ATOM 607 CG LEU A 73 11.112 -2.648 -0.862 1.00 0.00 C
609
+ ATOM 608 CD1 LEU A 73 11.622 -4.077 -1.022 1.00 0.00 C
610
+ ATOM 609 CD2 LEU A 73 10.436 -2.170 -2.143 1.00 0.00 C
611
+ ATOM 610 N PHE A 74 8.673 -1.533 2.837 1.00 0.00 N
612
+ ATOM 611 CA PHE A 74 7.614 -1.653 3.832 1.00 0.00 C
613
+ ATOM 612 C PHE A 74 6.811 -0.362 3.928 1.00 0.00 C
614
+ ATOM 613 CB PHE A 74 8.200 -2.011 5.202 1.00 0.00 C
615
+ ATOM 614 O PHE A 74 5.579 -0.387 3.903 1.00 0.00 O
616
+ ATOM 615 CG PHE A 74 7.185 -2.016 6.313 1.00 0.00 C
617
+ ATOM 616 CD1 PHE A 74 6.346 -3.106 6.501 1.00 0.00 C
618
+ ATOM 617 CD2 PHE A 74 7.073 -0.929 7.171 1.00 0.00 C
619
+ ATOM 618 CE1 PHE A 74 5.406 -3.113 7.529 1.00 0.00 C
620
+ ATOM 619 CE2 PHE A 74 6.136 -0.929 8.200 1.00 0.00 C
621
+ ATOM 620 CZ PHE A 74 5.302 -2.021 8.377 1.00 0.00 C
622
+ ATOM 621 N MET A 75 7.510 0.760 3.985 1.00 0.00 N
623
+ ATOM 622 CA MET A 75 6.855 2.058 4.117 1.00 0.00 C
624
+ ATOM 623 C MET A 75 6.078 2.407 2.853 1.00 0.00 C
625
+ ATOM 624 CB MET A 75 7.882 3.152 4.418 1.00 0.00 C
626
+ ATOM 625 O MET A 75 5.014 3.024 2.925 1.00 0.00 O
627
+ ATOM 626 CG MET A 75 8.485 3.061 5.811 1.00 0.00 C
628
+ ATOM 627 SD MET A 75 9.829 4.281 6.077 1.00 0.00 S
629
+ ATOM 628 CE MET A 75 8.895 5.828 5.906 1.00 0.00 C
630
+ ATOM 629 N ALA A 76 6.598 2.028 1.711 1.00 0.00 N
631
+ ATOM 630 CA ALA A 76 5.905 2.272 0.448 1.00 0.00 C
632
+ ATOM 631 C ALA A 76 4.572 1.531 0.402 1.00 0.00 C
633
+ ATOM 632 CB ALA A 76 6.783 1.854 -0.729 1.00 0.00 C
634
+ ATOM 633 O ALA A 76 3.554 2.095 -0.006 1.00 0.00 O
635
+ ATOM 634 N ASP A 77 4.540 0.260 0.819 1.00 0.00 N
636
+ ATOM 635 CA ASP A 77 3.303 -0.514 0.808 1.00 0.00 C
637
+ ATOM 636 C ASP A 77 2.281 0.070 1.781 1.00 0.00 C
638
+ ATOM 637 CB ASP A 77 3.582 -1.978 1.156 1.00 0.00 C
639
+ ATOM 638 O ASP A 77 1.094 0.163 1.461 1.00 0.00 O
640
+ ATOM 639 CG ASP A 77 3.972 -2.810 -0.053 1.00 0.00 C
641
+ ATOM 640 OD1 ASP A 77 3.963 -2.283 -1.185 1.00 0.00 O
642
+ ATOM 641 OD2 ASP A 77 4.287 -4.007 0.129 1.00 0.00 O
643
+ ATOM 642 N LEU A 78 2.759 0.459 2.920 1.00 0.00 N
644
+ ATOM 643 CA LEU A 78 1.807 1.009 3.880 1.00 0.00 C
645
+ ATOM 644 C LEU A 78 1.263 2.350 3.398 1.00 0.00 C
646
+ ATOM 645 CB LEU A 78 2.465 1.176 5.252 1.00 0.00 C
647
+ ATOM 646 O LEU A 78 0.065 2.616 3.514 1.00 0.00 O
648
+ ATOM 647 CG LEU A 78 1.519 1.336 6.443 1.00 0.00 C
649
+ ATOM 648 CD1 LEU A 78 0.479 0.220 6.447 1.00 0.00 C
650
+ ATOM 649 CD2 LEU A 78 2.303 1.349 7.751 1.00 0.00 C
651
+ ATOM 650 N GLN A 79 2.092 3.170 2.797 1.00 0.00 N
652
+ ATOM 651 CA GLN A 79 1.627 4.426 2.218 1.00 0.00 C
653
+ ATOM 652 C GLN A 79 0.612 4.177 1.106 1.00 0.00 C
654
+ ATOM 653 CB GLN A 79 2.807 5.238 1.679 1.00 0.00 C
655
+ ATOM 654 O GLN A 79 -0.353 4.930 0.959 1.00 0.00 O
656
+ ATOM 655 CG GLN A 79 2.426 6.635 1.205 1.00 0.00 C
657
+ ATOM 656 CD GLN A 79 1.909 7.515 2.328 1.00 0.00 C
658
+ ATOM 657 NE2 GLN A 79 1.004 8.429 1.995 1.00 0.00 N
659
+ ATOM 658 OE1 GLN A 79 2.320 7.375 3.484 1.00 0.00 O
660
+ ATOM 659 N ARG A 80 0.826 3.148 0.344 1.00 0.00 N
661
+ ATOM 660 CA ARG A 80 -0.101 2.800 -0.729 1.00 0.00 C
662
+ ATOM 661 C ARG A 80 -1.492 2.510 -0.178 1.00 0.00 C
663
+ ATOM 662 CB ARG A 80 0.415 1.593 -1.514 1.00 0.00 C
664
+ ATOM 663 O ARG A 80 -2.497 2.900 -0.777 1.00 0.00 O
665
+ ATOM 664 CG ARG A 80 -0.407 1.267 -2.752 1.00 0.00 C
666
+ ATOM 665 CD ARG A 80 0.169 0.083 -3.515 1.00 0.00 C
667
+ ATOM 666 NE ARG A 80 1.498 0.377 -4.044 1.00 0.00 N
668
+ ATOM 667 NH1 ARG A 80 0.830 0.445 -6.255 1.00 0.00 N
669
+ ATOM 668 NH2 ARG A 80 3.025 0.808 -5.704 1.00 0.00 N
670
+ ATOM 669 CZ ARG A 80 1.781 0.543 -5.333 1.00 0.00 C
671
+ ATOM 670 N VAL A 81 -1.545 1.852 1.011 1.00 0.00 N
672
+ ATOM 671 CA VAL A 81 -2.827 1.578 1.651 1.00 0.00 C
673
+ ATOM 672 C VAL A 81 -3.587 2.885 1.869 1.00 0.00 C
674
+ ATOM 673 CB VAL A 81 -2.644 0.838 2.995 1.00 0.00 C
675
+ ATOM 674 O VAL A 81 -4.761 2.995 1.507 1.00 0.00 O
676
+ ATOM 675 CG1 VAL A 81 -3.971 0.749 3.748 1.00 0.00 C
677
+ ATOM 676 CG2 VAL A 81 -2.065 -0.556 2.761 1.00 0.00 C
678
+ ATOM 677 N PHE A 82 -2.922 3.868 2.332 1.00 0.00 N
679
+ ATOM 678 CA PHE A 82 -3.569 5.123 2.693 1.00 0.00 C
680
+ ATOM 679 C PHE A 82 -3.877 5.950 1.450 1.00 0.00 C
681
+ ATOM 680 CB PHE A 82 -2.687 5.928 3.653 1.00 0.00 C
682
+ ATOM 681 O PHE A 82 -4.961 6.526 1.334 1.00 0.00 O
683
+ ATOM 682 CG PHE A 82 -2.270 5.163 4.880 1.00 0.00 C
684
+ ATOM 683 CD1 PHE A 82 -3.184 4.375 5.569 1.00 0.00 C
685
+ ATOM 684 CD2 PHE A 82 -0.963 5.232 5.345 1.00 0.00 C
686
+ ATOM 685 CE1 PHE A 82 -2.801 3.666 6.705 1.00 0.00 C
687
+ ATOM 686 CE2 PHE A 82 -0.573 4.526 6.480 1.00 0.00 C
688
+ ATOM 687 CZ PHE A 82 -1.494 3.744 7.159 1.00 0.00 C
689
+ ATOM 688 N THR A 83 -2.915 5.996 0.534 1.00 0.00 N
690
+ ATOM 689 CA THR A 83 -3.112 6.771 -0.687 1.00 0.00 C
691
+ ATOM 690 C THR A 83 -4.259 6.197 -1.513 1.00 0.00 C
692
+ ATOM 691 CB THR A 83 -1.830 6.807 -1.539 1.00 0.00 C
693
+ ATOM 692 O THR A 83 -5.084 6.945 -2.043 1.00 0.00 O
694
+ ATOM 693 CG2 THR A 83 -2.045 7.598 -2.824 1.00 0.00 C
695
+ ATOM 694 OG1 THR A 83 -0.778 7.421 -0.783 1.00 0.00 O
696
+ ATOM 695 N ASN A 84 -4.343 4.897 -1.632 1.00 0.00 N
697
+ ATOM 696 CA ASN A 84 -5.445 4.263 -2.348 1.00 0.00 C
698
+ ATOM 697 C ASN A 84 -6.795 4.633 -1.740 1.00 0.00 C
699
+ ATOM 698 CB ASN A 84 -5.270 2.743 -2.367 1.00 0.00 C
700
+ ATOM 699 O ASN A 84 -7.743 4.944 -2.464 1.00 0.00 O
701
+ ATOM 700 CG ASN A 84 -4.103 2.300 -3.228 1.00 0.00 C
702
+ ATOM 701 ND2 ASN A 84 -3.663 1.062 -3.037 1.00 0.00 N
703
+ ATOM 702 OD1 ASN A 84 -3.603 3.065 -4.057 1.00 0.00 O
704
+ ATOM 703 N CYS A 85 -6.841 4.602 -0.407 1.00 0.00 N
705
+ ATOM 704 CA CYS A 85 -8.082 4.933 0.283 1.00 0.00 C
706
+ ATOM 705 C CYS A 85 -8.495 6.373 0.004 1.00 0.00 C
707
+ ATOM 706 CB CYS A 85 -7.932 4.719 1.788 1.00 0.00 C
708
+ ATOM 707 O CYS A 85 -9.664 6.646 -0.275 1.00 0.00 O
709
+ ATOM 708 SG CYS A 85 -9.426 5.101 2.731 1.00 0.00 S
710
+ ATOM 709 N LYS A 86 -7.542 7.269 0.016 1.00 0.00 N
711
+ ATOM 710 CA LYS A 86 -7.830 8.685 -0.194 1.00 0.00 C
712
+ ATOM 711 C LYS A 86 -8.154 8.969 -1.658 1.00 0.00 C
713
+ ATOM 712 CB LYS A 86 -6.649 9.545 0.258 1.00 0.00 C
714
+ ATOM 713 O LYS A 86 -8.923 9.883 -1.963 1.00 0.00 O
715
+ ATOM 714 CG LYS A 86 -6.462 9.597 1.766 1.00 0.00 C
716
+ ATOM 715 CD LYS A 86 -5.247 10.432 2.152 1.00 0.00 C
717
+ ATOM 716 CE LYS A 86 -4.830 10.181 3.594 1.00 0.00 C
718
+ ATOM 717 NZ LYS A 86 -3.660 11.023 3.986 1.00 0.00 N
719
+ ATOM 718 N GLU A 87 -7.575 8.259 -2.501 1.00 0.00 N
720
+ ATOM 719 CA GLU A 87 -7.860 8.432 -3.923 1.00 0.00 C
721
+ ATOM 720 C GLU A 87 -9.280 7.988 -4.259 1.00 0.00 C
722
+ ATOM 721 CB GLU A 87 -6.851 7.653 -4.771 1.00 0.00 C
723
+ ATOM 722 O GLU A 87 -9.965 8.630 -5.057 1.00 0.00 O
724
+ ATOM 723 CG GLU A 87 -7.013 7.866 -6.269 1.00 0.00 C
725
+ ATOM 724 CD GLU A 87 -5.897 7.239 -7.089 1.00 0.00 C
726
+ ATOM 725 OE1 GLU A 87 -4.822 6.940 -6.520 1.00 0.00 O
727
+ ATOM 726 OE2 GLU A 87 -6.097 7.048 -8.308 1.00 0.00 O
728
+ ATOM 727 N TYR A 88 -9.771 6.973 -3.659 1.00 0.00 N
729
+ ATOM 728 CA TYR A 88 -11.057 6.382 -4.012 1.00 0.00 C
730
+ ATOM 729 C TYR A 88 -12.192 7.039 -3.234 1.00 0.00 C
731
+ ATOM 730 CB TYR A 88 -11.047 4.873 -3.747 1.00 0.00 C
732
+ ATOM 731 O TYR A 88 -13.303 7.184 -3.749 1.00 0.00 O
733
+ ATOM 732 CG TYR A 88 -12.333 4.180 -4.130 1.00 0.00 C
734
+ ATOM 733 CD1 TYR A 88 -12.678 4.004 -5.469 1.00 0.00 C
735
+ ATOM 734 CD2 TYR A 88 -13.204 3.703 -3.157 1.00 0.00 C
736
+ ATOM 735 CE1 TYR A 88 -13.863 3.367 -5.827 1.00 0.00 C
737
+ ATOM 736 CE2 TYR A 88 -14.390 3.066 -3.504 1.00 0.00 C
738
+ ATOM 737 OH TYR A 88 -15.884 2.272 -5.189 1.00 0.00 O
739
+ ATOM 738 CZ TYR A 88 -14.710 2.903 -4.839 1.00 0.00 C
740
+ ATOM 739 N ASN A 89 -11.998 7.411 -1.984 1.00 0.00 N
741
+ ATOM 740 CA ASN A 89 -13.048 7.921 -1.109 1.00 0.00 C
742
+ ATOM 741 C ASN A 89 -13.024 9.444 -1.031 1.00 0.00 C
743
+ ATOM 742 CB ASN A 89 -12.921 7.316 0.291 1.00 0.00 C
744
+ ATOM 743 O ASN A 89 -11.953 10.054 -1.058 1.00 0.00 O
745
+ ATOM 744 CG ASN A 89 -13.077 5.808 0.292 1.00 0.00 C
746
+ ATOM 745 ND2 ASN A 89 -11.956 5.095 0.308 1.00 0.00 N
747
+ ATOM 746 OD1 ASN A 89 -14.195 5.288 0.278 1.00 0.00 O
748
+ ATOM 747 N PRO A 90 -14.157 10.000 -0.997 1.00 0.00 N
749
+ ATOM 748 CA PRO A 90 -14.191 11.450 -0.791 1.00 0.00 C
750
+ ATOM 749 C PRO A 90 -13.677 11.862 0.587 1.00 0.00 C
751
+ ATOM 750 CB PRO A 90 -15.675 11.794 -0.947 1.00 0.00 C
752
+ ATOM 751 O PRO A 90 -13.741 11.074 1.533 1.00 0.00 O
753
+ ATOM 752 CG PRO A 90 -16.399 10.549 -0.548 1.00 0.00 C
754
+ ATOM 753 CD PRO A 90 -15.568 9.364 -0.952 1.00 0.00 C
755
+ ATOM 754 N PRO A 91 -13.212 13.088 0.712 1.00 0.00 N
756
+ ATOM 755 CA PRO A 91 -12.571 13.560 1.942 1.00 0.00 C
757
+ ATOM 756 C PRO A 91 -13.497 13.485 3.155 1.00 0.00 C
758
+ ATOM 757 CB PRO A 91 -12.214 15.013 1.618 1.00 0.00 C
759
+ ATOM 758 O PRO A 91 -13.025 13.386 4.291 1.00 0.00 O
760
+ ATOM 759 CG PRO A 91 -12.000 15.033 0.139 1.00 0.00 C
761
+ ATOM 760 CD PRO A 91 -12.963 14.071 -0.496 1.00 0.00 C
762
+ ATOM 761 N GLU A 92 -14.863 13.515 2.990 1.00 0.00 N
763
+ ATOM 762 CA GLU A 92 -15.790 13.539 4.118 1.00 0.00 C
764
+ ATOM 763 C GLU A 92 -16.109 12.127 4.600 1.00 0.00 C
765
+ ATOM 764 CB GLU A 92 -17.079 14.271 3.738 1.00 0.00 C
766
+ ATOM 765 O GLU A 92 -16.755 11.950 5.635 1.00 0.00 O
767
+ ATOM 766 CG GLU A 92 -17.881 13.577 2.646 1.00 0.00 C
768
+ ATOM 767 CD GLU A 92 -17.428 13.945 1.243 1.00 0.00 C
769
+ ATOM 768 OE1 GLU A 92 -16.287 14.436 1.082 1.00 0.00 O
770
+ ATOM 769 OE2 GLU A 92 -18.221 13.743 0.296 1.00 0.00 O
771
+ ATOM 770 N SER A 93 -15.573 11.136 3.886 1.00 0.00 N
772
+ ATOM 771 CA SER A 93 -15.935 9.767 4.241 1.00 0.00 C
773
+ ATOM 772 C SER A 93 -15.195 9.306 5.492 1.00 0.00 C
774
+ ATOM 773 CB SER A 93 -15.635 8.815 3.081 1.00 0.00 C
775
+ ATOM 774 O SER A 93 -14.110 9.806 5.797 1.00 0.00 O
776
+ ATOM 775 OG SER A 93 -14.237 8.636 2.927 1.00 0.00 O
777
+ ATOM 776 N GLU A 94 -15.828 8.397 6.201 1.00 0.00 N
778
+ ATOM 777 CA GLU A 94 -15.180 7.776 7.354 1.00 0.00 C
779
+ ATOM 778 C GLU A 94 -13.894 7.063 6.946 1.00 0.00 C
780
+ ATOM 779 CB GLU A 94 -16.132 6.794 8.041 1.00 0.00 C
781
+ ATOM 780 O GLU A 94 -12.909 7.076 7.687 1.00 0.00 O
782
+ ATOM 781 CG GLU A 94 -15.631 6.294 9.388 1.00 0.00 C
783
+ ATOM 782 CD GLU A 94 -16.581 5.312 10.054 1.00 0.00 C
784
+ ATOM 783 OE1 GLU A 94 -17.557 4.875 9.403 1.00 0.00 O
785
+ ATOM 784 OE2 GLU A 94 -16.349 4.977 11.237 1.00 0.00 O
786
+ ATOM 785 N TYR A 95 -13.805 6.469 5.791 1.00 0.00 N
787
+ ATOM 786 CA TYR A 95 -12.623 5.790 5.274 1.00 0.00 C
788
+ ATOM 787 C TYR A 95 -11.461 6.764 5.116 1.00 0.00 C
789
+ ATOM 788 CB TYR A 95 -12.931 5.122 3.930 1.00 0.00 C
790
+ ATOM 789 O TYR A 95 -10.331 6.460 5.507 1.00 0.00 O
791
+ ATOM 790 CG TYR A 95 -13.964 4.024 4.021 1.00 0.00 C
792
+ ATOM 791 CD1 TYR A 95 -13.611 2.740 4.430 1.00 0.00 C
793
+ ATOM 792 CD2 TYR A 95 -15.293 4.269 3.697 1.00 0.00 C
794
+ ATOM 793 CE1 TYR A 95 -14.559 1.727 4.513 1.00 0.00 C
795
+ ATOM 794 CE2 TYR A 95 -16.250 3.262 3.775 1.00 0.00 C
796
+ ATOM 795 OH TYR A 95 -16.818 0.997 4.264 1.00 0.00 O
797
+ ATOM 796 CZ TYR A 95 -15.874 1.997 4.184 1.00 0.00 C
798
+ ATOM 797 N TYR A 96 -11.752 7.941 4.494 1.00 0.00 N
799
+ ATOM 798 CA TYR A 96 -10.731 8.965 4.307 1.00 0.00 C
800
+ ATOM 799 C TYR A 96 -10.172 9.429 5.647 1.00 0.00 C
801
+ ATOM 800 CB TYR A 96 -11.303 10.161 3.539 1.00 0.00 C
802
+ ATOM 801 O TYR A 96 -8.959 9.587 5.799 1.00 0.00 O
803
+ ATOM 802 CG TYR A 96 -10.250 11.102 3.008 1.00 0.00 C
804
+ ATOM 803 CD1 TYR A 96 -9.557 11.957 3.863 1.00 0.00 C
805
+ ATOM 804 CD2 TYR A 96 -9.944 11.140 1.652 1.00 0.00 C
806
+ ATOM 805 CE1 TYR A 96 -8.587 12.828 3.379 1.00 0.00 C
807
+ ATOM 806 CE2 TYR A 96 -8.976 12.007 1.157 1.00 0.00 C
808
+ ATOM 807 OH TYR A 96 -7.343 13.705 1.541 1.00 0.00 O
809
+ ATOM 808 CZ TYR A 96 -8.303 12.846 2.026 1.00 0.00 C
810
+ ATOM 809 N LYS A 97 -11.076 9.630 6.611 1.00 0.00 N
811
+ ATOM 810 CA LYS A 97 -10.665 10.049 7.949 1.00 0.00 C
812
+ ATOM 811 C LYS A 97 -9.787 8.991 8.612 1.00 0.00 C
813
+ ATOM 812 CB LYS A 97 -11.889 10.336 8.821 1.00 0.00 C
814
+ ATOM 813 O LYS A 97 -8.777 9.319 9.237 1.00 0.00 O
815
+ ATOM 814 CG LYS A 97 -12.669 11.574 8.405 1.00 0.00 C
816
+ ATOM 815 CD LYS A 97 -13.879 11.800 9.302 1.00 0.00 C
817
+ ATOM 816 CE LYS A 97 -14.744 12.947 8.796 1.00 0.00 C
818
+ ATOM 817 NZ LYS A 97 -16.015 13.066 9.572 1.00 0.00 N
819
+ ATOM 818 N CYS A 98 -10.136 7.711 8.483 1.00 0.00 N
820
+ ATOM 819 CA CYS A 98 -9.341 6.618 9.032 1.00 0.00 C
821
+ ATOM 820 C CYS A 98 -7.950 6.588 8.409 1.00 0.00 C
822
+ ATOM 821 CB CYS A 98 -10.041 5.279 8.804 1.00 0.00 C
823
+ ATOM 822 O CYS A 98 -6.957 6.373 9.106 1.00 0.00 O
824
+ ATOM 823 SG CYS A 98 -11.464 5.008 9.883 1.00 0.00 S
825
+ ATOM 824 N ALA A 99 -7.868 6.776 7.099 1.00 0.00 N
826
+ ATOM 825 CA ALA A 99 -6.579 6.803 6.413 1.00 0.00 C
827
+ ATOM 826 C ALA A 99 -5.694 7.923 6.954 1.00 0.00 C
828
+ ATOM 827 CB ALA A 99 -6.780 6.969 4.909 1.00 0.00 C
829
+ ATOM 828 O ALA A 99 -4.500 7.720 7.187 1.00 0.00 O
830
+ ATOM 829 N ASN A 100 -6.299 9.083 7.223 1.00 0.00 N
831
+ ATOM 830 CA ASN A 100 -5.534 10.201 7.766 1.00 0.00 C
832
+ ATOM 831 C ASN A 100 -4.997 9.888 9.159 1.00 0.00 C
833
+ ATOM 832 CB ASN A 100 -6.389 11.471 7.798 1.00 0.00 C
834
+ ATOM 833 O ASN A 100 -3.833 10.165 9.458 1.00 0.00 O
835
+ ATOM 834 CG ASN A 100 -6.493 12.139 6.442 1.00 0.00 C
836
+ ATOM 835 ND2 ASN A 100 -7.588 12.855 6.217 1.00 0.00 N
837
+ ATOM 836 OD1 ASN A 100 -5.596 12.013 5.604 1.00 0.00 O
838
+ ATOM 837 N ILE A 101 -5.823 9.321 9.954 1.00 0.00 N
839
+ ATOM 838 CA ILE A 101 -5.460 9.025 11.336 1.00 0.00 C
840
+ ATOM 839 C ILE A 101 -4.366 7.961 11.366 1.00 0.00 C
841
+ ATOM 840 CB ILE A 101 -6.685 8.558 12.155 1.00 0.00 C
842
+ ATOM 841 O ILE A 101 -3.355 8.120 12.053 1.00 0.00 O
843
+ ATOM 842 CG1 ILE A 101 -7.651 9.725 12.384 1.00 0.00 C
844
+ ATOM 843 CG2 ILE A 101 -6.242 7.943 13.485 1.00 0.00 C
845
+ ATOM 844 CD1 ILE A 101 -9.012 9.306 12.921 1.00 0.00 C
846
+ ATOM 845 N LEU A 102 -4.538 6.928 10.596 1.00 0.00 N
847
+ ATOM 846 CA LEU A 102 -3.610 5.803 10.649 1.00 0.00 C
848
+ ATOM 847 C LEU A 102 -2.267 6.175 10.028 1.00 0.00 C
849
+ ATOM 848 CB LEU A 102 -4.200 4.588 9.928 1.00 0.00 C
850
+ ATOM 849 O LEU A 102 -1.218 5.724 10.492 1.00 0.00 O
851
+ ATOM 850 CG LEU A 102 -3.569 3.233 10.256 1.00 0.00 C
852
+ ATOM 851 CD1 LEU A 102 -3.635 2.968 11.756 1.00 0.00 C
853
+ ATOM 852 CD2 LEU A 102 -4.262 2.118 9.480 1.00 0.00 C
854
+ ATOM 853 N GLU A 103 -2.315 7.012 8.939 1.00 0.00 N
855
+ ATOM 854 CA GLU A 103 -1.075 7.464 8.314 1.00 0.00 C
856
+ ATOM 855 C GLU A 103 -0.209 8.239 9.304 1.00 0.00 C
857
+ ATOM 856 CB GLU A 103 -1.375 8.328 7.088 1.00 0.00 C
858
+ ATOM 857 O GLU A 103 1.000 8.017 9.385 1.00 0.00 O
859
+ ATOM 858 CG GLU A 103 -0.131 8.771 6.330 1.00 0.00 C
860
+ ATOM 859 CD GLU A 103 -0.448 9.544 5.058 1.00 0.00 C
861
+ ATOM 860 OE1 GLU A 103 -1.475 10.257 5.021 1.00 0.00 O
862
+ ATOM 861 OE2 GLU A 103 0.338 9.433 4.091 1.00 0.00 O
863
+ ATOM 862 N LYS A 104 -0.838 9.144 10.078 1.00 0.00 N
864
+ ATOM 863 CA LYS A 104 -0.101 9.889 11.095 1.00 0.00 C
865
+ ATOM 864 C LYS A 104 0.434 8.958 12.180 1.00 0.00 C
866
+ ATOM 865 CB LYS A 104 -0.990 10.965 11.721 1.00 0.00 C
867
+ ATOM 866 O LYS A 104 1.567 9.118 12.639 1.00 0.00 O
868
+ ATOM 867 CG LYS A 104 -1.297 12.132 10.792 1.00 0.00 C
869
+ ATOM 868 CD LYS A 104 -2.186 13.167 11.470 1.00 0.00 C
870
+ ATOM 869 CE LYS A 104 -2.543 14.303 10.523 1.00 0.00 C
871
+ ATOM 870 NZ LYS A 104 -3.478 15.280 11.157 1.00 0.00 N
872
+ ATOM 871 N PHE A 105 -0.372 8.025 12.574 1.00 0.00 N
873
+ ATOM 872 CA PHE A 105 0.034 7.031 13.562 1.00 0.00 C
874
+ ATOM 873 C PHE A 105 1.229 6.229 13.061 1.00 0.00 C
875
+ ATOM 874 CB PHE A 105 -1.129 6.090 13.890 1.00 0.00 C
876
+ ATOM 875 O PHE A 105 2.217 6.063 13.781 1.00 0.00 O
877
+ ATOM 876 CG PHE A 105 -0.778 5.015 14.881 1.00 0.00 C
878
+ ATOM 877 CD1 PHE A 105 -0.642 5.312 16.232 1.00 0.00 C
879
+ ATOM 878 CD2 PHE A 105 -0.585 3.705 14.462 1.00 0.00 C
880
+ ATOM 879 CE1 PHE A 105 -0.317 4.317 17.152 1.00 0.00 C
881
+ ATOM 880 CE2 PHE A 105 -0.261 2.706 15.376 1.00 0.00 C
882
+ ATOM 881 CZ PHE A 105 -0.126 3.015 16.719 1.00 0.00 C
883
+ ATOM 882 N PHE A 106 1.162 5.777 11.838 1.00 0.00 N
884
+ ATOM 883 CA PHE A 106 2.242 5.022 11.214 1.00 0.00 C
885
+ ATOM 884 C PHE A 106 3.533 5.830 11.205 1.00 0.00 C
886
+ ATOM 885 CB PHE A 106 1.864 4.620 9.786 1.00 0.00 C
887
+ ATOM 886 O PHE A 106 4.597 5.317 11.557 1.00 0.00 O
888
+ ATOM 887 CG PHE A 106 3.035 4.187 8.946 1.00 0.00 C
889
+ ATOM 888 CD1 PHE A 106 3.800 3.085 9.311 1.00 0.00 C
890
+ ATOM 889 CD2 PHE A 106 3.372 4.882 7.792 1.00 0.00 C
891
+ ATOM 890 CE1 PHE A 106 4.885 2.682 8.536 1.00 0.00 C
892
+ ATOM 891 CE2 PHE A 106 4.455 4.486 7.012 1.00 0.00 C
893
+ ATOM 892 CZ PHE A 106 5.210 3.386 7.387 1.00 0.00 C
894
+ ATOM 893 N PHE A 107 3.438 7.037 10.780 1.00 0.00 N
895
+ ATOM 894 CA PHE A 107 4.631 7.874 10.730 1.00 0.00 C
896
+ ATOM 895 C PHE A 107 5.243 8.029 12.117 1.00 0.00 C
897
+ ATOM 896 CB PHE A 107 4.298 9.251 10.146 1.00 0.00 C
898
+ ATOM 897 O PHE A 107 6.466 7.984 12.270 1.00 0.00 O
899
+ ATOM 898 CG PHE A 107 5.501 10.135 9.952 1.00 0.00 C
900
+ ATOM 899 CD1 PHE A 107 6.348 9.952 8.866 1.00 0.00 C
901
+ ATOM 900 CD2 PHE A 107 5.784 11.150 10.857 1.00 0.00 C
902
+ ATOM 901 CE1 PHE A 107 7.461 10.768 8.684 1.00 0.00 C
903
+ ATOM 902 CE2 PHE A 107 6.894 11.970 10.681 1.00 0.00 C
904
+ ATOM 903 CZ PHE A 107 7.733 11.777 9.595 1.00 0.00 C
905
+ ATOM 904 N SER A 108 4.422 8.176 13.182 1.00 0.00 N
906
+ ATOM 905 CA SER A 108 4.937 8.274 14.544 1.00 0.00 C
907
+ ATOM 906 C SER A 108 5.655 6.994 14.958 1.00 0.00 C
908
+ ATOM 907 CB SER A 108 3.803 8.572 15.526 1.00 0.00 C
909
+ ATOM 908 O SER A 108 6.687 7.045 15.631 1.00 0.00 O
910
+ ATOM 909 OG SER A 108 3.036 7.407 15.776 1.00 0.00 O
911
+ ATOM 910 N LYS A 109 5.160 5.849 14.476 1.00 0.00 N
912
+ ATOM 911 CA LYS A 109 5.777 4.579 14.847 1.00 0.00 C
913
+ ATOM 912 C LYS A 109 7.104 4.380 14.120 1.00 0.00 C
914
+ ATOM 913 CB LYS A 109 4.833 3.415 14.544 1.00 0.00 C
915
+ ATOM 914 O LYS A 109 8.052 3.834 14.687 1.00 0.00 O
916
+ ATOM 915 CG LYS A 109 3.569 3.406 15.390 1.00 0.00 C
917
+ ATOM 916 CD LYS A 109 3.892 3.437 16.879 1.00 0.00 C
918
+ ATOM 917 CE LYS A 109 2.662 3.777 17.711 1.00 0.00 C
919
+ ATOM 918 NZ LYS A 109 3.013 4.022 19.143 1.00 0.00 N
920
+ ATOM 919 N ILE A 110 7.145 4.791 12.910 1.00 0.00 N
921
+ ATOM 920 CA ILE A 110 8.386 4.719 12.147 1.00 0.00 C
922
+ ATOM 921 C ILE A 110 9.444 5.606 12.799 1.00 0.00 C
923
+ ATOM 922 CB ILE A 110 8.169 5.136 10.675 1.00 0.00 C
924
+ ATOM 923 O ILE A 110 10.603 5.204 12.931 1.00 0.00 O
925
+ ATOM 924 CG1 ILE A 110 7.331 4.084 9.940 1.00 0.00 C
926
+ ATOM 925 CG2 ILE A 110 9.513 5.354 9.973 1.00 0.00 C
927
+ ATOM 926 CD1 ILE A 110 8.022 2.737 9.789 1.00 0.00 C
928
+ ATOM 927 N LYS A 111 9.048 6.748 13.212 1.00 0.00 N
929
+ ATOM 928 CA LYS A 111 9.953 7.673 13.888 1.00 0.00 C
930
+ ATOM 929 C LYS A 111 10.421 7.106 15.224 1.00 0.00 C
931
+ ATOM 930 CB LYS A 111 9.274 9.027 14.101 1.00 0.00 C
932
+ ATOM 931 O LYS A 111 11.612 7.147 15.540 1.00 0.00 O
933
+ ATOM 932 CG LYS A 111 10.199 10.102 14.654 1.00 0.00 C
934
+ ATOM 933 CD LYS A 111 9.488 11.443 14.774 1.00 0.00 C
935
+ ATOM 934 CE LYS A 111 10.398 12.508 15.370 1.00 0.00 C
936
+ ATOM 935 NZ LYS A 111 9.701 13.822 15.502 1.00 0.00 N
937
+ ATOM 936 N GLU A 112 9.534 6.571 16.039 1.00 0.00 N
938
+ ATOM 937 CA GLU A 112 9.848 5.973 17.333 1.00 0.00 C
939
+ ATOM 938 C GLU A 112 10.863 4.842 17.187 1.00 0.00 C
940
+ ATOM 939 CB GLU A 112 8.577 5.454 18.009 1.00 0.00 C
941
+ ATOM 940 O GLU A 112 11.719 4.654 18.054 1.00 0.00 O
942
+ ATOM 941 CG GLU A 112 7.695 6.551 18.586 1.00 0.00 C
943
+ ATOM 942 CD GLU A 112 6.336 6.049 19.048 1.00 0.00 C
944
+ ATOM 943 OE1 GLU A 112 6.147 4.815 19.146 1.00 0.00 O
945
+ ATOM 944 OE2 GLU A 112 5.455 6.896 19.315 1.00 0.00 O
946
+ ATOM 945 N ALA A 113 10.730 4.120 16.110 1.00 0.00 N
947
+ ATOM 946 CA ALA A 113 11.598 2.969 15.877 1.00 0.00 C
948
+ ATOM 947 C ALA A 113 12.947 3.403 15.312 1.00 0.00 C
949
+ ATOM 948 CB ALA A 113 10.923 1.976 14.934 1.00 0.00 C
950
+ ATOM 949 O ALA A 113 13.819 2.570 15.060 1.00 0.00 O
951
+ ATOM 950 N GLY A 114 13.041 4.633 15.035 1.00 0.00 N
952
+ ATOM 951 CA GLY A 114 14.305 5.152 14.536 1.00 0.00 C
953
+ ATOM 952 C GLY A 114 14.535 4.847 13.068 1.00 0.00 C
954
+ ATOM 953 O GLY A 114 15.680 4.771 12.616 1.00 0.00 O
955
+ ATOM 954 N LEU A 115 13.507 4.604 12.333 1.00 0.00 N
956
+ ATOM 955 CA LEU A 115 13.624 4.182 10.942 1.00 0.00 C
957
+ ATOM 956 C LEU A 115 13.526 5.379 10.001 1.00 0.00 C
958
+ ATOM 957 CB LEU A 115 12.539 3.158 10.600 1.00 0.00 C
959
+ ATOM 958 O LEU A 115 13.580 5.219 8.780 1.00 0.00 O
960
+ ATOM 959 CG LEU A 115 12.606 1.824 11.345 1.00 0.00 C
961
+ ATOM 960 CD1 LEU A 115 11.463 0.914 10.906 1.00 0.00 C
962
+ ATOM 961 CD2 LEU A 115 13.953 1.149 11.114 1.00 0.00 C
963
+ ATOM 962 N ILE A 116 13.338 6.600 10.459 1.00 0.00 N
964
+ ATOM 963 CA ILE A 116 13.291 7.782 9.606 1.00 0.00 C
965
+ ATOM 964 C ILE A 116 14.709 8.284 9.342 1.00 0.00 C
966
+ ATOM 965 CB ILE A 116 12.437 8.903 10.241 1.00 0.00 C
967
+ ATOM 966 O ILE A 116 15.532 8.350 10.258 1.00 0.00 O
968
+ ATOM 967 CG1 ILE A 116 10.972 8.461 10.350 1.00 0.00 C
969
+ ATOM 968 CG2 ILE A 116 12.559 10.198 9.433 1.00 0.00 C
970
+ ATOM 969 CD1 ILE A 116 10.072 9.471 11.047 1.00 0.00 C
971
+ ATOM 970 N ASP A 117 15.021 8.401 8.078 1.00 0.00 N
972
+ ATOM 971 CA ASP A 117 16.287 9.016 7.686 1.00 0.00 C
973
+ ATOM 972 C ASP A 117 16.283 10.514 7.978 1.00 0.00 C
974
+ ATOM 973 CB ASP A 117 16.566 8.770 6.202 1.00 0.00 C
975
+ ATOM 974 O ASP A 117 15.248 11.174 7.856 1.00 0.00 O
976
+ ATOM 975 CG ASP A 117 16.740 7.299 5.866 1.00 0.00 C
977
+ ATOM 976 OD1 ASP A 117 17.164 6.520 6.746 1.00 0.00 O
978
+ ATOM 977 OD2 ASP A 117 16.455 6.918 4.710 1.00 0.00 O
979
+ ATOM 978 N LYS A 118 17.302 11.049 8.917 1.00 0.00 N
980
+ ATOM 979 CA LYS A 118 17.433 12.488 9.125 1.00 0.00 C
981
+ ATOM 980 C LYS A 118 17.698 13.213 7.808 1.00 0.00 C
982
+ ATOM 981 CB LYS A 118 18.553 12.786 10.122 1.00 0.00 C
983
+ ATOM 982 O LYS A 118 18.347 12.667 6.913 1.00 0.00 O
984
+ ATOM 983 CG LYS A 118 18.247 12.350 11.547 1.00 0.00 C
985
+ ATOM 984 CD LYS A 118 19.336 12.794 12.515 1.00 0.00 C
986
+ ATOM 985 CE LYS A 118 19.078 12.277 13.924 1.00 0.00 C
987
+ ATOM 986 NZ LYS A 118 20.148 12.703 14.874 1.00 0.00 N
988
+ ATOM 987 OXT LYS A 118 17.076 14.142 8.272 1.00 0.00 O
989
+ TER 988 LYS A 118
990
+ END
1jm4/1jm4_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jwm/1jwm_ligand.mol2 ADDED
@@ -0,0 +1,471 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1jwm_ligand
7
+ 227 228 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -17.4770 37.1480 20.6740 N.4 1 PRO 0.2461
14
+ 2 CA -17.7500 38.5230 20.1900 C.3 1 PRO 0.0670
15
+ 3 C -18.4550 38.5070 18.8340 C.2 1 PRO 0.2268
16
+ 4 O -17.9440 37.9450 17.8550 O.2 1 PRO -0.3907
17
+ 5 CB -16.4080 39.2390 20.1020 C.3 1 PRO 0.0127
18
+ 6 CG -15.6130 38.4970 21.1700 C.3 1 PRO -0.0053
19
+ 7 CD -16.0480 37.0190 21.0110 C.3 1 PRO -0.0313
20
+ 8 N -19.6270 39.1400 18.7870 N.am 1 LYS -0.2610
21
+ 9 CA -20.4210 39.1820 17.5700 C.3 1 LYS 0.1311
22
+ 10 C -20.4020 40.5260 16.8360 C.2 1 LYS 0.2040
23
+ 11 O -20.7350 41.5610 17.4090 O.2 1 LYS -0.3944
24
+ 12 CB -21.8640 38.7770 17.8900 C.3 1 LYS -0.0122
25
+ 13 CG -22.6420 38.3930 16.6470 C.3 1 LYS -0.0440
26
+ 14 CD -23.8600 37.5270 16.9390 C.3 1 LYS -0.0124
27
+ 15 CE -24.2250 36.7340 15.6850 C.3 1 LYS -0.0354
28
+ 16 NZ -25.4680 35.9400 15.8450 N.4 1 LYS 0.2185
29
+ 17 N -19.9990 40.4930 15.5640 N.am 1 TYR -0.2621
30
+ 18 CA -19.9560 41.6870 14.7140 C.3 1 TYR 0.1390
31
+ 19 C -21.3750 42.1860 14.4390 C.2 1 TYR 0.2057
32
+ 20 O -22.2800 41.3930 14.1790 O.2 1 TYR -0.3942
33
+ 21 CB -19.2630 41.3680 13.3800 C.3 1 TYR 0.0163
34
+ 22 CG -17.7670 41.6140 13.3720 C.ar 1 TYR -0.0493
35
+ 23 CD1 -17.2600 42.9070 13.4120 C.ar 1 TYR -0.0685
36
+ 24 CD2 -16.8570 40.5530 13.3520 C.ar 1 TYR -0.0685
37
+ 25 CE1 -15.8870 43.1470 13.4380 C.ar 1 TYR -0.0398
38
+ 26 CE2 -15.4740 40.7840 13.3780 C.ar 1 TYR -0.0398
39
+ 27 CZ -15.0020 42.0880 13.4240 C.ar 1 TYR 0.0805
40
+ 28 OH -13.6520 42.3480 13.4730 O.3 1 TYR -0.3376
41
+ 29 N -21.5660 43.4980 14.5060 N.am 1 VAL -0.2633
42
+ 30 CA -22.8770 44.0820 14.2590 C.3 1 VAL 0.1333
43
+ 31 C -22.8660 44.9970 13.0430 C.2 1 VAL 0.2041
44
+ 32 O -21.9560 45.8080 12.8860 O.2 1 VAL -0.3944
45
+ 33 CB -23.3550 44.9010 15.4690 C.3 1 VAL -0.0063
46
+ 34 CG1 -24.7010 45.5280 15.1710 C.3 1 VAL -0.0584
47
+ 35 CG2 -23.4570 44.0040 16.6880 C.3 1 VAL -0.0584
48
+ 36 N -23.8880 44.8760 12.2000 N.am 1 LYS -0.2637
49
+ 37 CA -23.9960 45.6980 10.9900 C.3 1 LYS 0.1310
50
+ 38 C -24.8880 46.9200 11.1880 C.2 1 LYS 0.2039
51
+ 39 O -25.6520 46.9970 12.1500 O.2 1 LYS -0.3944
52
+ 40 CB -24.6010 44.8900 9.8380 C.3 1 LYS -0.0122
53
+ 41 CG -26.1330 44.7890 9.9050 C.3 1 LYS -0.0440
54
+ 42 CD -26.7090 44.2180 8.6190 C.3 1 LYS -0.0124
55
+ 43 CE -28.2220 44.3200 8.5700 C.3 1 LYS -0.0354
56
+ 44 NZ -28.8550 43.4610 9.5890 N.4 1 LYS 0.2185
57
+ 45 N -24.7880 47.8680 10.2650 N.am 1 GLN -0.2636
58
+ 46 CA -25.6400 49.0470 10.2980 C.3 1 GLN 0.1330
59
+ 47 C -26.7270 48.7180 9.2930 C.2 1 GLN 0.2042
60
+ 48 O -26.4610 48.0830 8.2740 O.2 1 GLN -0.3944
61
+ 49 CB -24.8830 50.2950 9.8470 C.3 1 GLN 0.0045
62
+ 50 CG -24.1700 51.0580 10.9580 C.3 1 GLN 0.0412
63
+ 51 CD -25.1240 51.5610 12.0260 C.2 1 GLN 0.1737
64
+ 52 OE1 -25.4660 50.8400 12.9600 O.2 1 GLN -0.3973
65
+ 53 NE2 -25.5700 52.8030 11.8840 N.am 1 GLN -0.3009
66
+ 54 N -27.9560 49.1160 9.5690 N.am 1 ASN -0.2616
67
+ 55 CA -29.0170 48.8200 8.6250 C.3 1 ASN 0.1476
68
+ 56 C -29.1320 49.8520 7.5070 C.2 1 ASN 0.2063
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+ 57 O -29.0050 51.0610 7.7250 O.2 1 ASN -0.3942
70
+ 58 CB -30.3500 48.6810 9.3500 C.3 1 ASN 0.0773
71
+ 59 CG -30.3810 47.4790 10.2590 C.2 1 ASN 0.1780
72
+ 60 OD1 -29.9420 46.3950 9.8770 O.2 1 ASN -0.3970
73
+ 61 ND2 -30.9080 47.6550 11.4630 N.am 1 ASN -0.3007
74
+ 62 N -29.3670 49.3530 6.3010 N.am 1 THR -0.2612
75
+ 63 CA -29.5180 50.2030 5.1320 C.3 1 THR 0.1565
76
+ 64 C -30.8630 50.9320 5.1760 C.2 1 THR 0.2065
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+ 65 O -31.9110 50.3340 5.4190 O.2 1 THR -0.3943
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+ 66 CB -29.4340 49.3650 3.8280 C.3 1 THR 0.0924
79
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80
+ 68 CG2 -28.0200 49.2710 3.3300 C.3 1 THR -0.0346
81
+ 69 N -30.8130 52.2330 4.9490 N.am 1 LEU -0.2636
82
+ 70 CA -32.0030 53.0580 4.9410 C.3 1 LEU 0.1312
83
+ 71 C -32.5580 53.1380 3.5340 C.2 1 LEU 0.2039
84
+ 72 O -31.7940 53.2140 2.5700 O.2 1 LEU -0.3944
85
+ 73 CB -31.6470 54.4720 5.3780 C.3 1 LEU -0.0101
86
+ 74 CG -31.1010 54.6300 6.7860 C.3 1 LEU -0.0425
87
+ 75 CD1 -30.2510 55.8780 6.8560 C.3 1 LEU -0.0625
88
+ 76 CD2 -32.2680 54.6710 7.7690 C.3 1 LEU -0.0625
89
+ 77 N -33.8820 53.1240 3.4220 N.am 1 LYS -0.2637
90
+ 78 CA -34.5500 53.2670 2.1230 C.3 1 LYS 0.1310
91
+ 79 C -34.4670 54.7360 1.7110 C.2 1 LYS 0.2039
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+ 80 O -34.4850 55.6380 2.5560 O.2 1 LYS -0.3944
93
+ 81 CB -36.0320 52.8710 2.1970 C.3 1 LYS -0.0122
94
+ 82 CG -36.2850 51.3740 2.3550 C.3 1 LYS -0.0440
95
+ 83 CD -37.0690 51.0420 3.6450 C.3 1 LYS -0.0124
96
+ 84 CE -37.4250 49.5390 3.6760 C.3 1 LYS -0.0354
97
+ 85 NZ -38.2370 49.1200 2.4610 N.4 1 LYS 0.2185
98
+ 86 N -34.3710 54.9610 0.4060 N.am 1 LEU -0.2637
99
+ 87 CA -34.2760 56.3060 -0.1240 C.3 1 LEU 0.1312
100
+ 88 C -35.6390 56.9620 -0.1910 C.2 1 LEU 0.2039
101
+ 89 O -36.6710 56.2920 -0.1490 O.2 1 LEU -0.3944
102
+ 90 CB -33.6600 56.2920 -1.5240 C.3 1 LEU -0.0101
103
+ 91 CG -32.1960 55.8820 -1.6700 C.3 1 LEU -0.0425
104
+ 92 CD1 -31.7460 56.1240 -3.1060 C.3 1 LEU -0.0625
105
+ 93 CD2 -31.3320 56.6950 -0.7260 C.3 1 LEU -0.0625
106
+ 94 N -35.6280 58.2850 -0.2880 N.am 1 ALA -0.2640
107
+ 95 CA -36.8550 59.0480 -0.4000 C.3 1 ALA 0.1282
108
+ 96 C -37.5250 58.6400 -1.7020 C.2 1 ALA 0.2031
109
+ 97 O -36.8760 58.5730 -2.7520 O.2 1 ALA -0.3944
110
+ 98 CB -36.5440 60.5340 -0.4210 C.3 1 ALA -0.0244
111
+ 99 N -38.8200 58.3540 -1.6240 N.am 1 THR -0.2670
112
+ 100 CA -39.5940 57.9630 -2.7960 C.3 1 THR 0.1198
113
+ 101 C -40.6460 59.0310 -3.0880 C.2 1 THR 0.0626
114
+ 102 O -40.5400 59.6810 -4.1530 O.co2 1 THR -0.5665
115
+ 103 CB -40.3170 56.6270 -2.5710 C.3 1 THR 0.0869
116
+ 104 OG1 -39.3740 55.6400 -2.1380 O.3 1 THR -0.3880
117
+ 105 CG2 -40.9710 56.1570 -3.8600 C.3 1 THR -0.0352
118
+ 106 OXT -41.5580 59.2080 -2.2420 O.co2 1 THR -0.5665
119
+ 107 H1 -17.7129 36.4850 19.9524 H 1 PRO 0.2035
120
+ 108 H2 -18.0333 36.9641 21.4942 H 1 PRO 0.2035
121
+ 109 H3 -18.3950 39.0429 20.9136 H 1 PRO 0.1099
122
+ 110 H4 -16.5042 40.3086 20.3401 H 1 PRO 0.0347
123
+ 111 H5 -15.9532 39.1242 19.1070 H 1 PRO 0.0347
124
+ 112 H6 -15.8639 38.8715 22.1734 H 1 PRO 0.0320
125
+ 113 H7 -14.5321 38.6060 20.9976 H 1 PRO 0.0320
126
+ 114 H8 -15.4907 36.5244 20.2018 H 1 PRO 0.0814
127
+ 115 H9 -15.9083 36.4595 21.9477 H 1 PRO 0.0814
128
+ 116 H10 -19.9683 39.5969 19.6085 H 1 LYS 0.1884
129
+ 117 H11 -20.0005 38.4336 16.8822 H 1 LYS 0.0800
130
+ 118 H12 -22.3698 39.6241 18.3764 H 1 LYS 0.0312
131
+ 119 H13 -21.8465 37.9174 18.5761 H 1 LYS 0.0312
132
+ 120 H14 -21.9723 37.8371 15.9744 H 1 LYS 0.0269
133
+ 121 H15 -22.9802 39.3137 16.1491 H 1 LYS 0.0269
134
+ 122 H16 -24.7061 38.1676 17.2284 H 1 LYS 0.0317
135
+ 123 H17 -23.6290 36.8318 17.7596 H 1 LYS 0.0317
136
+ 124 H18 -23.3980 36.0476 15.4507 H 1 LYS 0.0813
137
+ 125 H19 -24.3637 37.4389 14.8520 H 1 LYS 0.0813
138
+ 126 H20 -25.6593 35.4397 14.9911 H 1 LYS 0.1994
139
+ 127 H21 -26.2371 36.5578 16.0520 H 1 LYS 0.1994
140
+ 128 H22 -25.3521 35.2829 16.6006 H 1 LYS 0.1994
141
+ 129 H23 -19.7144 39.6171 15.1743 H 1 TYR 0.1885
142
+ 130 H24 -19.3909 42.4749 15.2335 H 1 TYR 0.0821
143
+ 131 H25 -19.7179 41.9943 12.5985 H 1 TYR 0.0453
144
+ 132 H26 -19.4376 40.3071 13.1476 H 1 TYR 0.0453
145
+ 133 H27 -17.9460 43.7462 13.4232 H 1 TYR 0.0530
146
+ 134 H28 -17.2266 39.5346 13.3158 H 1 TYR 0.0530
147
+ 135 H29 -15.5147 44.1646 13.4692 H 1 TYR 0.0525
148
+ 136 H30 -14.7800 39.9514 13.3623 H 1 TYR 0.0525
149
+ 137 H31 -13.5123 43.2873 13.4998 H 1 TYR 0.2458
150
+ 138 H32 -20.7962 44.0957 14.7300 H 1 VAL 0.1883
151
+ 139 H33 -23.5892 43.2632 14.0794 H 1 VAL 0.0802
152
+ 140 H34 -22.6260 45.6994 15.6719 H 1 VAL 0.0343
153
+ 141 H35 -25.0345 46.1115 16.0418 H 1 VAL 0.0234
154
+ 142 H36 -25.4347 44.7369 14.9569 H 1 VAL 0.0234
155
+ 143 H37 -24.6114 46.1911 14.2979 H 1 VAL 0.0234
156
+ 144 H38 -22.4748 43.5541 16.8954 H 1 VAL 0.0234
157
+ 145 H39 -24.1919 43.2081 16.4971 H 1 VAL 0.0234
158
+ 146 H40 -23.7781 44.5993 17.5555 H 1 VAL 0.0234
159
+ 147 H41 -24.6032 44.2054 12.3969 H 1 LYS 0.1883
160
+ 148 H42 -22.9863 46.0331 10.7102 H 1 LYS 0.0800
161
+ 149 H43 -24.1825 43.8731 9.8672 H 1 LYS 0.0312
162
+ 150 H44 -24.3242 45.3733 8.8894 H 1 LYS 0.0312
163
+ 151 H45 -26.5509 45.7932 10.0692 H 1 LYS 0.0269
164
+ 152 H46 -26.4120 44.1341 10.7436 H 1 LYS 0.0269
165
+ 153 H47 -26.4234 43.1584 8.5434 H 1 LYS 0.0317
166
+ 154 H48 -26.2894 44.7726 7.7667 H 1 LYS 0.0317
167
+ 155 H49 -28.5692 44.0082 7.5739 H 1 LYS 0.0813
168
+ 156 H50 -28.5159 45.3645 8.7504 H 1 LYS 0.0813
169
+ 157 H51 -29.8571 43.5519 9.5296 H 1 LYS 0.1994
170
+ 158 H52 -28.5458 43.7436 10.5058 H 1 LYS 0.1994
171
+ 159 H53 -28.5947 42.5007 9.4277 H 1 LYS 0.1994
172
+ 160 H54 -24.1141 47.7703 9.5326 H 1 GLN 0.1883
173
+ 161 H55 -26.0565 49.2064 11.3035 H 1 GLN 0.0801
174
+ 162 H56 -25.6038 50.9778 9.3735 H 1 GLN 0.0337
175
+ 163 H57 -24.1291 49.9872 9.1075 H 1 GLN 0.0337
176
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+ $$$$
1jwm/1jwm_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jwm/1jwm_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1m21/1m21_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1m21_ligand
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+ 87 89 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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1ms6/1ms6_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ms6/1ms6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1msn/1msn_ligand.mol2 ADDED
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+ M END
165
+ $$$$
1msn/1msn_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1msn/1msn_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rgj/1rgj_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1rgj_ligand
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+ 223 228 1 0 0
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+ SMALL
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+ M END
461
+ $$$$
1rgj/1rgj_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,552 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C ILE A 1 -8.240 11.931 -2.533 1.00 93.32 C
2
+ ATOM 2 CA ILE A 1 -7.712 13.118 -3.335 1.00 92.94 C
3
+ ATOM 3 CB ILE A 1 -6.228 12.897 -3.706 1.00 90.74 C
4
+ ATOM 4 CD1 ILE A 1 -4.725 11.783 -5.456 1.00 76.63 C
5
+ ATOM 5 CG1 ILE A 1 -6.106 11.850 -4.819 1.00 81.10 C
6
+ ATOM 6 CG2 ILE A 1 -5.420 12.483 -2.473 1.00 80.67 C
7
+ ATOM 7 N ILE A 1 -7.895 14.348 -2.574 1.00 91.83 N
8
+ ATOM 8 O ILE A 1 -8.307 11.985 -1.303 1.00 92.30 O
9
+ ATOM 9 C VAL A 2 -8.295 8.542 -2.861 1.00 94.17 C
10
+ ATOM 10 CA VAL A 2 -9.248 9.697 -2.564 1.00 94.21 C
11
+ ATOM 11 CB VAL A 2 -10.667 9.363 -3.078 1.00 92.90 C
12
+ ATOM 12 CG1 VAL A 2 -11.183 8.074 -2.440 1.00 84.14 C
13
+ ATOM 13 CG2 VAL A 2 -11.623 10.522 -2.795 1.00 84.10 C
14
+ ATOM 14 N VAL A 2 -8.737 10.926 -3.163 1.00 94.01 N
15
+ ATOM 15 O VAL A 2 -7.932 8.309 -4.016 1.00 93.53 O
16
+ ATOM 16 C CYS A 3 -7.519 5.435 -1.302 1.00 92.71 C
17
+ ATOM 17 CA CYS A 3 -6.956 6.703 -1.934 1.00 93.67 C
18
+ ATOM 18 CB CYS A 3 -5.608 7.044 -1.299 1.00 92.69 C
19
+ ATOM 19 N CYS A 3 -7.887 7.816 -1.788 1.00 93.30 N
20
+ ATOM 20 O CYS A 3 -8.313 5.504 -0.363 1.00 91.18 O
21
+ ATOM 21 SG CYS A 3 -4.833 8.522 -1.989 1.00 91.44 S
22
+ ATOM 22 C HIS A 4 -6.388 2.973 0.136 1.00 91.63 C
23
+ ATOM 23 CA HIS A 4 -7.300 3.052 -1.084 1.00 92.01 C
24
+ ATOM 24 CB HIS A 4 -7.073 1.840 -1.989 1.00 90.43 C
25
+ ATOM 25 CD2 HIS A 4 -8.043 1.923 -4.393 1.00 78.88 C
26
+ ATOM 26 CE1 HIS A 4 -10.068 1.220 -3.936 1.00 81.23 C
27
+ ATOM 27 CG HIS A 4 -8.105 1.690 -3.062 1.00 84.96 C
28
+ ATOM 28 N HIS A 4 -7.080 4.290 -1.825 1.00 91.61 N
29
+ ATOM 29 ND1 HIS A 4 -9.386 1.251 -2.805 1.00 74.49 N
30
+ ATOM 30 NE2 HIS A 4 -9.277 1.625 -4.916 1.00 80.12 N
31
+ ATOM 31 O HIS A 4 -5.259 3.466 0.106 1.00 90.59 O
32
+ ATOM 32 C THR A 5 -6.276 0.879 3.050 1.00 91.69 C
33
+ ATOM 33 CA THR A 5 -6.090 2.238 2.382 1.00 92.11 C
34
+ ATOM 34 CB THR A 5 -6.462 3.356 3.373 1.00 90.69 C
35
+ ATOM 35 CG2 THR A 5 -7.946 3.310 3.723 1.00 78.92 C
36
+ ATOM 36 N THR A 5 -6.886 2.326 1.162 1.00 92.21 N
37
+ ATOM 37 O THR A 5 -7.340 0.267 2.942 1.00 90.44 O
38
+ ATOM 38 OG1 THR A 5 -5.695 3.196 4.573 1.00 80.31 O
39
+ ATOM 39 C THR A 6 -5.409 -0.412 6.011 1.00 89.31 C
40
+ ATOM 40 CA THR A 6 -5.292 -0.786 4.536 1.00 90.18 C
41
+ ATOM 41 CB THR A 6 -4.031 -1.644 4.320 1.00 88.64 C
42
+ ATOM 42 CG2 THR A 6 -4.002 -2.234 2.914 1.00 79.36 C
43
+ ATOM 43 N THR A 6 -5.269 0.409 3.700 1.00 90.50 N
44
+ ATOM 44 O THR A 6 -5.327 -1.277 6.885 1.00 86.92 O
45
+ ATOM 45 OG1 THR A 6 -2.868 -0.829 4.508 1.00 81.78 O
46
+ ATOM 46 C ALA A 7 -6.978 0.863 8.300 1.00 84.49 C
47
+ ATOM 47 CA ALA A 7 -5.643 1.302 7.706 1.00 85.44 C
48
+ ATOM 48 CB ALA A 7 -5.483 2.816 7.826 1.00 83.12 C
49
+ ATOM 49 N ALA A 7 -5.525 0.886 6.311 1.00 85.71 N
50
+ ATOM 50 O ALA A 7 -7.133 0.808 9.522 1.00 81.89 O
51
+ ATOM 51 C THR A 8 -9.396 -1.281 7.182 1.00 81.17 C
52
+ ATOM 52 CA THR A 8 -9.160 0.110 7.764 1.00 81.77 C
53
+ ATOM 53 CB THR A 8 -10.282 1.059 7.305 1.00 79.23 C
54
+ ATOM 54 CG2 THR A 8 -10.075 2.464 7.859 1.00 72.00 C
55
+ ATOM 55 N THR A 8 -7.848 0.615 7.378 1.00 82.33 N
56
+ ATOM 56 O THR A 8 -8.693 -1.702 6.262 1.00 79.16 O
57
+ ATOM 57 OG1 THR A 8 -10.294 1.118 5.873 1.00 73.37 O
58
+ ATOM 58 C SER A 9 -12.155 -3.352 7.188 1.00 82.09 C
59
+ ATOM 59 CA SER A 9 -10.635 -3.348 7.314 1.00 81.83 C
60
+ ATOM 60 CB SER A 9 -10.190 -4.485 8.235 1.00 76.57 C
61
+ ATOM 61 N SER A 9 -10.149 -2.066 7.810 1.00 81.55 N
62
+ ATOM 62 O SER A 9 -12.862 -2.971 8.123 1.00 79.19 O
63
+ ATOM 63 OG SER A 9 -10.629 -5.737 7.737 1.00 66.88 O
64
+ ATOM 64 C PRO A 10 -11.080 -2.936 4.123 1.00 83.63 C
65
+ ATOM 65 CA PRO A 10 -11.753 -4.107 4.835 1.00 83.67 C
66
+ ATOM 66 CB PRO A 10 -12.871 -4.701 3.972 1.00 81.04 C
67
+ ATOM 67 CD PRO A 10 -14.005 -3.520 5.770 1.00 74.94 C
68
+ ATOM 68 CG PRO A 10 -14.087 -3.906 4.321 1.00 77.07 C
69
+ ATOM 69 N PRO A 10 -12.451 -3.701 6.057 1.00 82.75 N
70
+ ATOM 70 O PRO A 10 -11.239 -1.785 4.536 1.00 81.45 O
71
+ ATOM 71 C ILE A 11 -10.687 -1.229 1.861 1.00 86.28 C
72
+ ATOM 72 CA ILE A 11 -9.584 -2.181 2.319 1.00 86.24 C
73
+ ATOM 73 CB ILE A 11 -8.835 -2.760 1.098 1.00 84.63 C
74
+ ATOM 74 CD1 ILE A 11 -7.043 -4.481 0.469 1.00 76.33 C
75
+ ATOM 75 CG1 ILE A 11 -7.630 -3.590 1.556 1.00 79.58 C
76
+ ATOM 76 CG2 ILE A 11 -8.400 -1.639 0.151 1.00 79.20 C
77
+ ATOM 77 N ILE A 11 -10.158 -3.240 3.144 1.00 85.76 N
78
+ ATOM 78 O ILE A 11 -11.733 -1.667 1.378 1.00 84.63 O
79
+ ATOM 79 C SER A 12 -10.892 2.215 1.048 1.00 88.54 C
80
+ ATOM 80 CA SER A 12 -11.515 0.989 1.707 1.00 87.62 C
81
+ ATOM 81 CB SER A 12 -12.268 1.407 2.971 1.00 85.76 C
82
+ ATOM 82 N SER A 12 -10.503 -0.015 2.022 1.00 87.41 N
83
+ ATOM 83 O SER A 12 -9.675 2.408 1.111 1.00 88.04 O
84
+ ATOM 84 OG SER A 12 -11.379 1.959 3.927 1.00 78.10 O
85
+ ATOM 85 C ALA A 13 -11.578 5.316 0.800 1.00 90.12 C
86
+ ATOM 86 CA ALA A 13 -11.304 4.179 -0.180 1.00 89.95 C
87
+ ATOM 87 CB ALA A 13 -12.017 4.440 -1.505 1.00 88.09 C
88
+ ATOM 88 N ALA A 13 -11.721 2.895 0.377 1.00 89.50 N
89
+ ATOM 89 O ALA A 13 -12.668 5.405 1.369 1.00 89.08 O
90
+ ATOM 90 C VAL A 14 -10.382 8.527 1.330 1.00 93.54 C
91
+ ATOM 91 CA VAL A 14 -10.834 7.213 1.963 1.00 92.76 C
92
+ ATOM 92 CB VAL A 14 -10.042 6.948 3.262 1.00 91.25 C
93
+ ATOM 93 CG1 VAL A 14 -10.550 5.685 3.956 1.00 80.00 C
94
+ ATOM 94 CG2 VAL A 14 -8.548 6.832 2.962 1.00 79.43 C
95
+ ATOM 95 N VAL A 14 -10.676 6.123 1.006 1.00 92.54 N
96
+ ATOM 96 O VAL A 14 -9.456 8.544 0.516 1.00 93.24 O
97
+ ATOM 97 C THR A 15 -9.330 11.335 2.163 1.00 94.92 C
98
+ ATOM 98 CA THR A 15 -10.576 10.984 1.355 1.00 94.88 C
99
+ ATOM 99 CB THR A 15 -11.656 12.058 1.580 1.00 93.86 C
100
+ ATOM 100 CG2 THR A 15 -11.151 13.440 1.181 1.00 88.35 C
101
+ ATOM 101 N THR A 15 -11.066 9.657 1.711 1.00 94.68 N
102
+ ATOM 102 O THR A 15 -9.353 11.302 3.396 1.00 94.34 O
103
+ ATOM 103 OG1 THR A 15 -12.811 11.738 0.794 1.00 89.42 O
104
+ ATOM 104 C CYS A 16 -7.095 13.162 3.025 1.00 94.40 C
105
+ ATOM 105 CA CYS A 16 -7.001 11.901 2.174 1.00 94.96 C
106
+ ATOM 106 CB CYS A 16 -5.888 12.057 1.138 1.00 94.08 C
107
+ ATOM 107 N CYS A 16 -8.274 11.616 1.521 1.00 94.63 N
108
+ ATOM 108 O CYS A 16 -7.765 14.124 2.645 1.00 93.42 O
109
+ ATOM 109 SG CYS A 16 -5.549 10.550 0.202 1.00 94.71 S
110
+ ATOM 110 C PRO A 17 -5.763 15.566 4.237 1.00 94.23 C
111
+ ATOM 111 CA PRO A 17 -6.441 14.418 4.981 1.00 93.99 C
112
+ ATOM 112 CB PRO A 17 -5.620 14.000 6.205 1.00 92.84 C
113
+ ATOM 113 CD PRO A 17 -5.856 12.020 4.812 1.00 87.78 C
114
+ ATOM 114 CG PRO A 17 -5.693 12.508 6.223 1.00 88.82 C
115
+ ATOM 115 N PRO A 17 -6.508 13.189 4.186 1.00 93.98 N
116
+ ATOM 116 O PRO A 17 -4.990 15.332 3.305 1.00 93.72 O
117
+ ATOM 117 C PRO A 18 -3.884 17.813 4.076 1.00 92.75 C
118
+ ATOM 118 CA PRO A 18 -5.408 17.910 4.088 1.00 93.11 C
119
+ ATOM 119 CB PRO A 18 -5.874 19.090 4.944 1.00 91.52 C
120
+ ATOM 120 CD PRO A 18 -7.048 17.128 5.770 1.00 85.29 C
121
+ ATOM 121 CG PRO A 18 -7.133 18.617 5.596 1.00 87.15 C
122
+ ATOM 122 N PRO A 18 -6.044 16.757 4.728 1.00 93.28 N
123
+ ATOM 123 O PRO A 18 -3.281 17.407 5.072 1.00 91.12 O
124
+ ATOM 124 C GLY A 19 -1.282 16.760 2.242 1.00 92.82 C
125
+ ATOM 125 CA GLY A 19 -1.812 18.055 2.826 1.00 92.97 C
126
+ ATOM 126 N GLY A 19 -3.261 18.077 2.949 1.00 93.34 N
127
+ ATOM 127 O GLY A 19 -0.119 16.684 1.839 1.00 91.33 O
128
+ ATOM 128 C GLU A 20 -2.377 14.295 0.358 1.00 94.23 C
129
+ ATOM 129 CA GLU A 20 -1.733 14.464 1.732 1.00 95.06 C
130
+ ATOM 130 CB GLU A 20 -2.114 13.291 2.639 1.00 93.92 C
131
+ ATOM 131 CD GLU A 20 -1.657 12.034 4.798 1.00 85.99 C
132
+ ATOM 132 CG GLU A 20 -1.375 13.276 3.969 1.00 89.66 C
133
+ ATOM 133 N GLU A 20 -2.120 15.732 2.343 1.00 95.15 N
134
+ ATOM 134 O GLU A 20 -3.531 13.875 0.255 1.00 92.19 O
135
+ ATOM 135 OE1 GLU A 20 -2.154 11.031 4.239 1.00 86.15 O
136
+ ATOM 136 OE2 GLU A 20 -1.379 12.065 6.018 1.00 87.59 O
137
+ ATOM 137 C ASN A 21 -1.661 13.385 -2.886 1.00 95.00 C
138
+ ATOM 138 CA ASN A 21 -2.129 14.582 -2.063 1.00 95.03 C
139
+ ATOM 139 CB ASN A 21 -1.738 15.888 -2.756 1.00 92.99 C
140
+ ATOM 140 CG ASN A 21 -2.304 17.110 -2.060 1.00 83.35 C
141
+ ATOM 141 N ASN A 21 -1.593 14.542 -0.707 1.00 94.97 N
142
+ ATOM 142 ND2 ASN A 21 -1.471 18.130 -1.882 1.00 73.93 N
143
+ ATOM 143 O ASN A 21 -1.751 13.398 -4.115 1.00 93.78 O
144
+ ATOM 144 OD1 ASN A 21 -3.478 17.138 -1.684 1.00 72.75 O
145
+ ATOM 145 C LEU A 22 -1.234 9.960 -2.379 1.00 95.33 C
146
+ ATOM 146 CA LEU A 22 -0.600 11.227 -2.946 1.00 95.33 C
147
+ ATOM 147 CB LEU A 22 0.924 11.141 -2.838 1.00 94.54 C
148
+ ATOM 148 CD1 LEU A 22 3.183 12.209 -3.045 1.00 85.18 C
149
+ ATOM 149 CD2 LEU A 22 1.557 12.339 -4.951 1.00 84.54 C
150
+ ATOM 150 CG LEU A 22 1.713 12.308 -3.434 1.00 90.99 C
151
+ ATOM 151 N LEU A 22 -1.097 12.411 -2.254 1.00 95.27 N
152
+ ATOM 152 O LEU A 22 -1.492 9.875 -1.177 1.00 94.88 O
153
+ ATOM 153 C CYS A 23 -0.590 6.868 -3.017 1.00 94.33 C
154
+ ATOM 154 CA CYS A 23 -1.858 7.708 -2.909 1.00 94.81 C
155
+ ATOM 155 CB CYS A 23 -2.949 7.118 -3.801 1.00 93.80 C
156
+ ATOM 156 N CYS A 23 -1.597 9.097 -3.270 1.00 94.60 N
157
+ ATOM 157 O CYS A 23 0.190 7.033 -3.958 1.00 93.44 O
158
+ ATOM 158 SG CYS A 23 -4.491 8.059 -3.785 1.00 87.21 S
159
+ ATOM 159 C TYR A 24 0.410 3.642 -2.038 1.00 94.01 C
160
+ ATOM 160 CA TYR A 24 0.796 5.107 -2.194 1.00 94.27 C
161
+ ATOM 161 CB TYR A 24 1.883 5.471 -1.178 1.00 93.91 C
162
+ ATOM 162 CD1 TYR A 24 0.839 5.859 1.090 1.00 92.11 C
163
+ ATOM 163 CD2 TYR A 24 1.994 3.802 0.710 1.00 91.74 C
164
+ ATOM 164 CE1 TYR A 24 0.546 5.463 2.390 1.00 91.00 C
165
+ ATOM 165 CE2 TYR A 24 1.707 3.395 2.009 1.00 90.92 C
166
+ ATOM 166 CG TYR A 24 1.566 5.036 0.232 1.00 93.30 C
167
+ ATOM 167 CZ TYR A 24 0.984 4.231 2.841 1.00 90.17 C
168
+ ATOM 168 N TYR A 24 -0.366 5.974 -2.033 1.00 94.25 N
169
+ ATOM 169 O TYR A 24 -0.587 3.322 -1.388 1.00 93.36 O
170
+ ATOM 170 OH TYR A 24 0.697 3.834 4.127 1.00 88.21 O
171
+ ATOM 171 C ARG A 25 2.611 0.904 -2.201 1.00 92.64 C
172
+ ATOM 172 CA ARG A 25 1.205 1.406 -2.513 1.00 92.75 C
173
+ ATOM 173 CB ARG A 25 0.666 0.711 -3.765 1.00 91.60 C
174
+ ATOM 174 CD ARG A 25 0.138 -1.447 -4.951 1.00 84.72 C
175
+ ATOM 175 CG ARG A 25 0.619 -0.805 -3.657 1.00 86.86 C
176
+ ATOM 176 CZ ARG A 25 0.953 -1.622 -7.279 1.00 76.75 C
177
+ ATOM 177 N ARG A 25 1.193 2.855 -2.685 1.00 92.90 N
178
+ ATOM 178 NE ARG A 25 1.172 -1.426 -5.981 1.00 79.62 N
179
+ ATOM 179 NH1 ARG A 25 -0.273 -1.859 -7.731 1.00 64.10 N
180
+ ATOM 180 NH2 ARG A 25 1.968 -1.580 -8.130 1.00 63.76 N
181
+ ATOM 181 O ARG A 25 3.551 1.165 -2.954 1.00 91.83 O
182
+ ATOM 182 C LYS A 26 3.781 -1.863 -0.551 1.00 92.22 C
183
+ ATOM 183 CA LYS A 26 3.934 -0.347 -0.653 1.00 92.38 C
184
+ ATOM 184 CB LYS A 26 4.361 0.228 0.697 1.00 90.69 C
185
+ ATOM 185 CD LYS A 26 6.223 0.660 2.335 1.00 78.20 C
186
+ ATOM 186 CE LYS A 26 7.602 0.221 2.812 1.00 70.50 C
187
+ ATOM 187 CG LYS A 26 5.802 -0.086 1.077 1.00 81.99 C
188
+ ATOM 188 N LYS A 26 2.694 0.277 -1.107 1.00 92.71 N
189
+ ATOM 189 NZ LYS A 26 7.966 0.856 4.113 1.00 63.35 N
190
+ ATOM 190 O LYS A 26 2.836 -2.356 0.068 1.00 91.20 O
191
+ ATOM 191 C MET A 27 6.026 -4.643 -0.859 1.00 90.40 C
192
+ ATOM 192 CA MET A 27 4.676 -4.039 -1.228 1.00 90.52 C
193
+ ATOM 193 CB MET A 27 4.235 -4.542 -2.603 1.00 89.23 C
194
+ ATOM 194 CE MET A 27 3.779 -4.232 -5.677 1.00 75.59 C
195
+ ATOM 195 CG MET A 27 2.872 -4.027 -3.036 1.00 84.65 C
196
+ ATOM 196 N MET A 27 4.735 -2.580 -1.208 1.00 90.61 N
197
+ ATOM 197 O MET A 27 7.071 -4.138 -1.273 1.00 89.44 O
198
+ ATOM 198 SD MET A 27 2.349 -4.701 -4.661 1.00 83.36 S
199
+ ATOM 199 C TRP A 28 6.908 -7.840 0.542 1.00 89.82 C
200
+ ATOM 200 CA TRP A 28 7.195 -6.375 0.225 1.00 90.14 C
201
+ ATOM 201 CB TRP A 28 7.882 -5.707 1.420 1.00 89.15 C
202
+ ATOM 202 CD1 TRP A 28 7.279 -6.751 3.685 1.00 81.89 C
203
+ ATOM 203 CD2 TRP A 28 6.055 -4.958 3.140 1.00 82.85 C
204
+ ATOM 204 CE2 TRP A 28 5.624 -5.433 4.399 1.00 84.21 C
205
+ ATOM 205 CE3 TRP A 28 5.428 -3.832 2.588 1.00 85.20 C
206
+ ATOM 206 CG TRP A 28 7.113 -5.816 2.703 1.00 85.97 C
207
+ ATOM 207 CH2 TRP A 28 3.998 -3.720 4.553 1.00 81.64 C
208
+ ATOM 208 CZ2 TRP A 28 4.594 -4.820 5.115 1.00 82.96 C
209
+ ATOM 209 CZ3 TRP A 28 4.403 -3.223 3.303 1.00 82.88 C
210
+ ATOM 210 N TRP A 28 5.967 -5.667 -0.122 1.00 90.00 N
211
+ ATOM 211 NE1 TRP A 28 6.386 -6.526 4.708 1.00 84.63 N
212
+ ATOM 212 O TRP A 28 5.750 -8.230 0.705 1.00 88.56 O
213
+ ATOM 213 C CYS A 29 8.262 -10.298 2.325 1.00 88.44 C
214
+ ATOM 214 CA CYS A 29 7.801 -10.040 0.896 1.00 88.77 C
215
+ ATOM 215 CB CYS A 29 8.615 -10.894 -0.075 1.00 86.70 C
216
+ ATOM 216 N CYS A 29 7.919 -8.627 0.556 1.00 89.17 N
217
+ ATOM 217 O CYS A 29 9.341 -9.855 2.723 1.00 86.67 O
218
+ ATOM 218 SG CYS A 29 7.749 -11.273 -1.614 1.00 78.34 S
219
+ ATOM 219 C ASP A 30 7.949 -12.889 4.395 1.00 86.57 C
220
+ ATOM 220 CA ASP A 30 7.833 -11.366 4.371 1.00 86.44 C
221
+ ATOM 221 CB ASP A 30 6.872 -10.896 5.466 1.00 85.22 C
222
+ ATOM 222 CG ASP A 30 5.488 -11.509 5.344 1.00 82.92 C
223
+ ATOM 223 N ASP A 30 7.390 -10.895 3.063 1.00 86.47 N
224
+ ATOM 224 O ASP A 30 7.968 -13.532 3.344 1.00 85.11 O
225
+ ATOM 225 OD1 ASP A 30 5.282 -12.380 4.471 1.00 81.94 O
226
+ ATOM 226 OD2 ASP A 30 4.595 -11.116 6.125 1.00 81.29 O
227
+ ATOM 227 C ALA A 31 7.129 -15.726 5.092 1.00 87.04 C
228
+ ATOM 228 CA ALA A 31 8.257 -14.907 5.712 1.00 86.94 C
229
+ ATOM 229 CB ALA A 31 8.429 -15.271 7.184 1.00 85.36 C
230
+ ATOM 230 N ALA A 31 8.008 -13.475 5.566 1.00 86.74 N
231
+ ATOM 231 O ALA A 31 7.309 -16.905 4.776 1.00 85.69 O
232
+ ATOM 232 C PHE A 32 4.473 -15.605 2.865 1.00 85.46 C
233
+ ATOM 233 CA PHE A 32 4.784 -15.950 4.317 1.00 86.37 C
234
+ ATOM 234 CB PHE A 32 3.567 -15.654 5.199 1.00 84.13 C
235
+ ATOM 235 CD1 PHE A 32 3.792 -17.298 7.090 1.00 76.69 C
236
+ ATOM 236 CD2 PHE A 32 3.962 -14.964 7.584 1.00 77.56 C
237
+ ATOM 237 CE1 PHE A 32 3.987 -17.602 8.435 1.00 77.75 C
238
+ ATOM 238 CE2 PHE A 32 4.157 -15.261 8.930 1.00 78.53 C
239
+ ATOM 239 CG PHE A 32 3.778 -15.979 6.653 1.00 80.89 C
240
+ ATOM 240 CZ PHE A 32 4.168 -16.580 9.353 1.00 75.19 C
241
+ ATOM 241 N PHE A 32 5.949 -15.211 4.786 1.00 86.04 N
242
+ ATOM 242 O PHE A 32 3.375 -15.883 2.377 1.00 83.17 O
243
+ ATOM 243 C CYS A 33 4.926 -15.506 0.004 1.00 85.00 C
244
+ ATOM 244 CA CYS A 33 5.187 -14.362 0.977 1.00 86.42 C
245
+ ATOM 245 CB CYS A 33 6.371 -13.527 0.491 1.00 83.19 C
246
+ ATOM 246 N CYS A 33 5.437 -14.868 2.323 1.00 86.19 N
247
+ ATOM 247 O CYS A 33 4.126 -15.369 -0.921 1.00 82.22 O
248
+ ATOM 248 SG CYS A 33 6.053 -12.642 -1.051 1.00 71.34 S
249
+ ATOM 249 C SER A 34 3.958 -18.346 -0.645 1.00 85.00 C
250
+ ATOM 250 CA SER A 34 5.389 -17.823 -0.699 1.00 85.58 C
251
+ ATOM 251 CB SER A 34 6.368 -18.957 -0.389 1.00 83.39 C
252
+ ATOM 252 N SER A 34 5.582 -16.712 0.226 1.00 85.76 N
253
+ ATOM 253 O SER A 34 3.410 -18.777 -1.662 1.00 83.16 O
254
+ ATOM 254 OG SER A 34 6.237 -19.378 0.957 1.00 74.65 O
255
+ ATOM 255 C SER A 35 0.912 -17.728 0.392 1.00 83.92 C
256
+ ATOM 256 CA SER A 35 1.992 -18.793 0.550 1.00 85.34 C
257
+ ATOM 257 CB SER A 35 1.868 -19.456 1.923 1.00 83.32 C
258
+ ATOM 258 N SER A 35 3.325 -18.224 0.376 1.00 85.75 N
259
+ ATOM 259 O SER A 35 -0.145 -17.991 -0.187 1.00 82.03 O
260
+ ATOM 260 OG SER A 35 2.103 -18.519 2.959 1.00 76.82 O
261
+ ATOM 261 C ARG A 36 0.260 -14.371 -0.035 1.00 83.04 C
262
+ ATOM 262 CA ARG A 36 0.033 -15.533 0.926 1.00 83.77 C
263
+ ATOM 263 CB ARG A 36 -0.055 -15.013 2.364 1.00 81.16 C
264
+ ATOM 264 CD ARG A 36 -0.660 -15.472 4.765 1.00 70.61 C
265
+ ATOM 265 CG ARG A 36 -0.502 -16.061 3.371 1.00 73.76 C
266
+ ATOM 266 CZ ARG A 36 -1.169 -16.275 7.048 1.00 62.53 C
267
+ ATOM 267 N ARG A 36 1.091 -16.530 0.805 1.00 84.41 N
268
+ ATOM 268 NE ARG A 36 -1.038 -16.489 5.742 1.00 61.98 N
269
+ ATOM 269 NH1 ARG A 36 -0.955 -15.069 7.562 1.00 49.58 N
270
+ ATOM 270 NH2 ARG A 36 -1.517 -17.273 7.846 1.00 44.80 N
271
+ ATOM 271 O ARG A 36 -0.607 -13.511 -0.194 1.00 80.60 O
272
+ ATOM 272 C GLY A 37 2.411 -12.076 -0.756 1.00 85.50 C
273
+ ATOM 273 CA GLY A 37 1.790 -13.220 -1.534 1.00 85.10 C
274
+ ATOM 274 N GLY A 37 1.451 -14.363 -0.700 1.00 85.02 N
275
+ ATOM 275 O GLY A 37 2.619 -12.182 0.455 1.00 84.40 O
276
+ ATOM 276 C LYS A 38 2.473 -9.173 0.130 1.00 87.02 C
277
+ ATOM 277 CA LYS A 38 3.380 -9.887 -0.868 1.00 86.74 C
278
+ ATOM 278 CB LYS A 38 3.840 -8.910 -1.951 1.00 85.68 C
279
+ ATOM 279 CD LYS A 38 5.416 -8.406 -3.848 1.00 82.24 C
280
+ ATOM 280 CE LYS A 38 6.527 -8.944 -4.739 1.00 77.50 C
281
+ ATOM 281 CG LYS A 38 4.955 -9.446 -2.836 1.00 83.48 C
282
+ ATOM 282 N LYS A 38 2.704 -11.034 -1.466 1.00 86.55 N
283
+ ATOM 283 NZ LYS A 38 7.003 -7.916 -5.713 1.00 74.15 N
284
+ ATOM 284 O LYS A 38 1.249 -9.183 -0.017 1.00 86.28 O
285
+ ATOM 285 C VAL A 39 2.065 -6.486 1.274 1.00 88.90 C
286
+ ATOM 286 CA VAL A 39 2.315 -7.780 2.044 1.00 88.51 C
287
+ ATOM 287 CB VAL A 39 3.133 -7.490 3.323 1.00 87.45 C
288
+ ATOM 288 CG1 VAL A 39 2.405 -6.484 4.213 1.00 83.04 C
289
+ ATOM 289 CG2 VAL A 39 3.405 -8.785 4.087 1.00 82.49 C
290
+ ATOM 290 N VAL A 39 2.991 -8.746 1.184 1.00 88.45 N
291
+ ATOM 291 O VAL A 39 2.931 -6.023 0.529 1.00 88.30 O
292
+ ATOM 292 C VAL A 40 0.087 -3.703 1.676 1.00 89.73 C
293
+ ATOM 293 CA VAL A 40 0.544 -4.759 0.672 1.00 89.49 C
294
+ ATOM 294 CB VAL A 40 -0.570 -5.026 -0.364 1.00 88.52 C
295
+ ATOM 295 CG1 VAL A 40 -0.945 -3.740 -1.098 1.00 85.02 C
296
+ ATOM 296 CG2 VAL A 40 -0.129 -6.102 -1.355 1.00 84.87 C
297
+ ATOM 297 N VAL A 40 0.925 -5.978 1.376 1.00 89.41 N
298
+ ATOM 298 O VAL A 40 -0.771 -3.971 2.522 1.00 88.98 O
299
+ ATOM 299 C GLU A 41 -0.205 -0.280 1.506 1.00 92.18 C
300
+ ATOM 300 CA GLU A 41 0.236 -1.417 2.423 1.00 91.56 C
301
+ ATOM 301 CB GLU A 41 1.380 -0.950 3.328 1.00 90.28 C
302
+ ATOM 302 CD GLU A 41 2.176 0.772 5.017 1.00 80.75 C
303
+ ATOM 303 CG GLU A 41 0.988 0.165 4.286 1.00 84.19 C
304
+ ATOM 304 N GLU A 41 0.638 -2.591 1.653 1.00 91.40 N
305
+ ATOM 305 O GLU A 41 0.534 0.117 0.601 1.00 91.83 O
306
+ ATOM 306 OE1 GLU A 41 3.118 0.027 5.367 1.00 77.47 O
307
+ ATOM 307 OE2 GLU A 41 2.163 2.004 5.241 1.00 74.10 O
308
+ ATOM 308 C LEU A 42 -2.369 2.482 1.856 1.00 92.61 C
309
+ ATOM 309 CA LEU A 42 -2.040 1.284 0.970 1.00 92.56 C
310
+ ATOM 310 CB LEU A 42 -3.308 0.790 0.270 1.00 91.71 C
311
+ ATOM 311 CD1 LEU A 42 -4.532 -0.970 -1.031 1.00 85.82 C
312
+ ATOM 312 CD2 LEU A 42 -2.273 -0.190 -1.796 1.00 86.33 C
313
+ ATOM 313 CG LEU A 42 -3.162 -0.467 -0.589 1.00 89.42 C
314
+ ATOM 314 N LEU A 42 -1.436 0.211 1.751 1.00 92.08 N
315
+ ATOM 315 O LEU A 42 -2.674 2.320 3.039 1.00 92.04 O
316
+ ATOM 316 C GLY A 43 -2.483 6.148 1.305 1.00 94.06 C
317
+ ATOM 317 CA GLY A 43 -2.746 4.824 1.995 1.00 93.77 C
318
+ ATOM 318 N GLY A 43 -2.325 3.675 1.209 1.00 93.52 N
319
+ ATOM 319 O GLY A 43 -2.176 6.182 0.111 1.00 93.66 O
320
+ ATOM 320 C CYS A 44 -1.097 9.043 2.166 1.00 94.31 C
321
+ ATOM 321 CA CYS A 44 -2.458 8.576 1.667 1.00 94.85 C
322
+ ATOM 322 CB CYS A 44 -3.552 9.498 2.203 1.00 93.84 C
323
+ ATOM 323 N CYS A 44 -2.714 7.195 2.062 1.00 94.50 N
324
+ ATOM 324 O CYS A 44 -0.637 8.610 3.225 1.00 93.40 O
325
+ ATOM 325 SG CYS A 44 -5.208 9.086 1.609 1.00 92.89 S
326
+ ATOM 326 C ALA A 45 1.024 11.909 1.350 1.00 94.44 C
327
+ ATOM 327 CA ALA A 45 0.803 10.503 1.900 1.00 94.25 C
328
+ ATOM 328 CB ALA A 45 1.951 9.587 1.483 1.00 93.32 C
329
+ ATOM 329 N ALA A 45 -0.474 9.957 1.448 1.00 94.15 N
330
+ ATOM 330 O ALA A 45 0.514 12.252 0.280 1.00 93.97 O
331
+ ATOM 331 C ALA A 46 3.415 13.927 0.704 1.00 93.80 C
332
+ ATOM 332 CA ALA A 46 2.214 14.043 1.638 1.00 94.15 C
333
+ ATOM 333 CB ALA A 46 2.550 14.945 2.822 1.00 92.94 C
334
+ ATOM 334 N ALA A 46 1.784 12.727 2.105 1.00 94.30 N
335
+ ATOM 335 O ALA A 46 3.521 14.670 -0.275 1.00 92.68 O
336
+ ATOM 336 C THR A 47 5.527 11.157 -0.024 1.00 93.14 C
337
+ ATOM 337 CA THR A 47 5.444 12.670 0.154 1.00 93.30 C
338
+ ATOM 338 CB THR A 47 6.745 13.186 0.798 1.00 91.66 C
339
+ ATOM 339 CG2 THR A 47 6.748 14.709 0.885 1.00 81.01 C
340
+ ATOM 340 N THR A 47 4.278 13.033 0.952 1.00 93.45 N
341
+ ATOM 341 O THR A 47 5.132 10.399 0.865 1.00 92.21 O
342
+ ATOM 342 OG1 THR A 47 6.865 12.643 2.118 1.00 82.50 O
343
+ ATOM 343 C CYS A 48 6.982 8.715 -0.422 1.00 92.28 C
344
+ ATOM 344 CA CYS A 48 6.081 9.388 -1.450 1.00 93.01 C
345
+ ATOM 345 CB CYS A 48 6.633 9.154 -2.856 1.00 91.25 C
346
+ ATOM 346 N CYS A 48 5.959 10.817 -1.181 1.00 93.02 N
347
+ ATOM 347 O CYS A 48 8.101 9.170 -0.179 1.00 90.57 O
348
+ ATOM 348 SG CYS A 48 6.357 7.480 -3.477 1.00 86.60 S
349
+ ATOM 349 C PRO A 49 8.655 6.473 0.777 1.00 89.69 C
350
+ ATOM 350 CA PRO A 49 7.331 7.005 1.319 1.00 90.11 C
351
+ ATOM 351 CB PRO A 49 6.434 5.858 1.792 1.00 88.95 C
352
+ ATOM 352 CD PRO A 49 5.134 7.125 0.173 1.00 86.20 C
353
+ ATOM 353 CG PRO A 49 5.051 6.269 1.405 1.00 86.63 C
354
+ ATOM 354 N PRO A 49 6.521 7.663 0.291 1.00 90.38 N
355
+ ATOM 355 O PRO A 49 8.742 6.104 -0.397 1.00 88.20 O
356
+ ATOM 356 C SER A 50 10.985 4.467 1.042 1.00 86.75 C
357
+ ATOM 357 CA SER A 50 11.037 5.978 1.247 1.00 87.25 C
358
+ ATOM 358 CB SER A 50 12.076 6.320 2.315 1.00 83.84 C
359
+ ATOM 359 N SER A 50 9.730 6.508 1.617 1.00 88.07 N
360
+ ATOM 360 O SER A 50 10.230 3.770 1.724 1.00 83.93 O
361
+ ATOM 361 OG SER A 50 11.680 5.820 3.581 1.00 70.09 O
362
+ ATOM 362 C LYS A 51 12.925 2.002 0.330 1.00 85.84 C
363
+ ATOM 363 CA LYS A 51 11.713 2.697 -0.283 1.00 84.78 C
364
+ ATOM 364 CB LYS A 51 11.764 2.591 -1.809 1.00 80.79 C
365
+ ATOM 365 CD LYS A 51 12.090 1.139 -3.838 1.00 70.25 C
366
+ ATOM 366 CE LYS A 51 12.443 -0.258 -4.334 1.00 63.99 C
367
+ ATOM 367 CG LYS A 51 11.916 1.168 -2.325 1.00 72.91 C
368
+ ATOM 368 N LYS A 51 11.643 4.096 0.132 1.00 84.87 N
369
+ ATOM 369 NZ LYS A 51 12.551 -0.305 -5.823 1.00 56.38 N
370
+ ATOM 370 O LYS A 51 14.045 2.511 0.250 1.00 83.45 O
371
+ ATOM 371 C LYS A 52 14.100 -0.930 0.288 1.00 84.44 C
372
+ ATOM 372 CA LYS A 52 13.768 0.015 1.439 1.00 83.79 C
373
+ ATOM 373 CB LYS A 52 13.394 -0.789 2.686 1.00 81.29 C
374
+ ATOM 374 CD LYS A 52 12.718 -0.789 5.111 1.00 72.24 C
375
+ ATOM 375 CE LYS A 52 12.353 0.069 6.314 1.00 65.94 C
376
+ ATOM 376 CG LYS A 52 13.112 0.065 3.913 1.00 74.60 C
377
+ ATOM 377 N LYS A 52 12.688 0.927 1.075 1.00 84.16 N
378
+ ATOM 378 NZ LYS A 52 11.925 -0.762 7.479 1.00 59.21 N
379
+ ATOM 379 O LYS A 52 13.281 -1.137 -0.609 1.00 82.49 O
380
+ ATOM 380 C PRO A 53 14.784 -3.444 -1.185 1.00 83.58 C
381
+ ATOM 381 CA PRO A 53 15.777 -2.317 -0.915 1.00 84.44 C
382
+ ATOM 382 CB PRO A 53 17.143 -2.876 -0.509 1.00 81.60 C
383
+ ATOM 383 CD PRO A 53 16.584 -1.211 1.174 1.00 74.28 C
384
+ ATOM 384 CG PRO A 53 17.713 -1.855 0.422 1.00 76.67 C
385
+ ATOM 385 N PRO A 53 15.396 -1.490 0.233 1.00 84.76 N
386
+ ATOM 386 O PRO A 53 14.601 -3.849 -2.336 1.00 80.35 O
387
+ ATOM 387 C TYR A 54 11.806 -4.696 -0.685 1.00 85.57 C
388
+ ATOM 388 CA TYR A 54 13.257 -5.116 -0.490 1.00 86.11 C
389
+ ATOM 389 CB TYR A 54 13.365 -6.097 0.682 1.00 82.92 C
390
+ ATOM 390 CD1 TYR A 54 14.303 -4.943 2.724 1.00 69.97 C
391
+ ATOM 391 CD2 TYR A 54 11.947 -5.336 2.625 1.00 70.90 C
392
+ ATOM 392 CE1 TYR A 54 14.157 -4.345 3.971 1.00 67.50 C
393
+ ATOM 393 CE2 TYR A 54 11.791 -4.740 3.872 1.00 67.55 C
394
+ ATOM 394 CG TYR A 54 13.202 -5.447 2.034 1.00 75.65 C
395
+ ATOM 395 CZ TYR A 54 12.900 -4.248 4.536 1.00 66.77 C
396
+ ATOM 396 N TYR A 54 14.112 -3.955 -0.265 1.00 85.80 N
397
+ ATOM 397 O TYR A 54 10.906 -5.539 -0.705 1.00 82.50 O
398
+ ATOM 398 OH TYR A 54 12.749 -3.657 5.771 1.00 49.41 O
399
+ ATOM 399 C GLU A 55 9.964 -2.310 -2.280 1.00 89.30 C
400
+ ATOM 400 CA GLU A 55 10.212 -2.911 -0.899 1.00 89.49 C
401
+ ATOM 401 CB GLU A 55 9.922 -1.871 0.187 1.00 87.87 C
402
+ ATOM 402 CD GLU A 55 9.720 -1.376 2.670 1.00 81.31 C
403
+ ATOM 403 CG GLU A 55 9.982 -2.426 1.602 1.00 83.32 C
404
+ ATOM 404 N GLU A 55 11.578 -3.410 -0.778 1.00 89.49 N
405
+ ATOM 405 O GLU A 55 10.882 -1.772 -2.902 1.00 87.81 O
406
+ ATOM 406 OE1 GLU A 55 9.821 -0.165 2.368 1.00 79.44 O
407
+ ATOM 407 OE2 GLU A 55 9.413 -1.768 3.818 1.00 79.11 O
408
+ ATOM 408 C GLU A 56 7.329 -0.665 -3.512 1.00 91.15 C
409
+ ATOM 409 CA GLU A 56 8.325 -1.740 -3.937 1.00 90.53 C
410
+ ATOM 410 CB GLU A 56 7.666 -2.710 -4.921 1.00 88.25 C
411
+ ATOM 411 CD GLU A 56 7.931 -4.773 -6.379 1.00 73.70 C
412
+ ATOM 412 CG GLU A 56 8.621 -3.744 -5.499 1.00 77.78 C
413
+ ATOM 413 N GLU A 56 8.849 -2.460 -2.780 1.00 90.60 N
414
+ ATOM 414 O GLU A 56 6.329 -0.962 -2.856 1.00 90.38 O
415
+ ATOM 415 OE1 GLU A 56 6.705 -4.651 -6.609 1.00 68.83 O
416
+ ATOM 416 OE2 GLU A 56 8.619 -5.708 -6.844 1.00 66.69 O
417
+ ATOM 417 C VAL A 57 6.339 2.433 -4.830 1.00 91.85 C
418
+ ATOM 418 CA VAL A 57 6.773 1.679 -3.575 1.00 92.08 C
419
+ ATOM 419 CB VAL A 57 7.476 2.641 -2.592 1.00 90.61 C
420
+ ATOM 420 CG1 VAL A 57 6.565 3.816 -2.241 1.00 83.08 C
421
+ ATOM 421 CG2 VAL A 57 7.902 1.895 -1.329 1.00 82.91 C
422
+ ATOM 422 N VAL A 57 7.637 0.563 -3.943 1.00 91.84 N
423
+ ATOM 423 O VAL A 57 7.169 2.768 -5.680 1.00 90.60 O
424
+ ATOM 424 C THR A 58 3.609 4.530 -5.566 1.00 92.86 C
425
+ ATOM 425 CA THR A 58 4.501 3.420 -6.113 1.00 92.25 C
426
+ ATOM 426 CB THR A 58 3.693 2.538 -7.084 1.00 90.68 C
427
+ ATOM 427 CG2 THR A 58 3.232 3.337 -8.297 1.00 78.27 C
428
+ ATOM 428 N THR A 58 5.067 2.628 -5.026 1.00 92.14 N
429
+ ATOM 429 O THR A 58 2.838 4.310 -4.629 1.00 92.46 O
430
+ ATOM 430 OG1 THR A 58 4.512 1.449 -7.525 1.00 79.80 O
431
+ ATOM 431 C CYS A 59 2.251 7.451 -6.912 1.00 93.78 C
432
+ ATOM 432 CA CYS A 59 2.951 6.851 -5.698 1.00 94.06 C
433
+ ATOM 433 CB CYS A 59 3.812 7.916 -5.018 1.00 92.72 C
434
+ ATOM 434 N CYS A 59 3.766 5.703 -6.079 1.00 93.78 N
435
+ ATOM 435 O CYS A 59 2.776 7.397 -8.025 1.00 92.85 O
436
+ ATOM 436 SG CYS A 59 4.471 7.405 -3.415 1.00 87.48 S
437
+ ATOM 437 C CYS A 60 -0.605 9.611 -7.189 1.00 94.49 C
438
+ ATOM 438 CA CYS A 60 0.308 8.539 -7.774 1.00 94.47 C
439
+ ATOM 439 CB CYS A 60 -0.528 7.481 -8.495 1.00 93.75 C
440
+ ATOM 440 N CYS A 60 1.125 7.924 -6.734 1.00 94.17 N
441
+ ATOM 441 O CYS A 60 -0.711 9.742 -5.969 1.00 94.03 O
442
+ ATOM 442 SG CYS A 60 -1.494 6.436 -7.384 1.00 94.02 S
443
+ ATOM 443 C SER A 61 -3.386 11.659 -8.098 1.00 92.86 C
444
+ ATOM 444 CA SER A 61 -1.953 11.594 -7.582 1.00 94.26 C
445
+ ATOM 445 CB SER A 61 -1.199 12.862 -7.986 1.00 92.55 C
446
+ ATOM 446 N SER A 61 -1.263 10.409 -8.080 1.00 94.37 N
447
+ ATOM 447 O SER A 61 -3.993 12.731 -8.129 1.00 89.60 O
448
+ ATOM 448 OG SER A 61 -1.037 12.925 -9.393 1.00 81.98 O
449
+ ATOM 449 C THR A 62 -6.190 9.693 -8.091 1.00 94.08 C
450
+ ATOM 450 CA THR A 62 -5.350 10.548 -9.035 1.00 93.90 C
451
+ ATOM 451 CB THR A 62 -5.481 10.010 -10.473 1.00 91.89 C
452
+ ATOM 452 CG2 THR A 62 -4.649 10.838 -11.447 1.00 78.76 C
453
+ ATOM 453 N THR A 62 -3.956 10.578 -8.605 1.00 94.05 N
454
+ ATOM 454 O THR A 62 -5.658 8.831 -7.388 1.00 93.28 O
455
+ ATOM 455 OG1 THR A 62 -5.028 8.651 -10.511 1.00 80.44 O
456
+ ATOM 456 C ASP A 63 -8.162 7.618 -7.446 1.00 93.27 C
457
+ ATOM 457 CA ASP A 63 -8.286 9.125 -7.232 1.00 93.60 C
458
+ ATOM 458 CB ASP A 63 -9.733 9.571 -7.451 1.00 92.43 C
459
+ ATOM 459 CG ASP A 63 -10.017 10.956 -6.895 1.00 88.67 C
460
+ ATOM 460 N ASP A 63 -7.386 9.857 -8.118 1.00 93.27 N
461
+ ATOM 461 O ASP A 63 -8.175 7.145 -8.584 1.00 92.25 O
462
+ ATOM 462 OD1 ASP A 63 -9.164 11.509 -6.169 1.00 85.82 O
463
+ ATOM 463 OD2 ASP A 63 -11.107 11.497 -7.183 1.00 86.62 O
464
+ ATOM 464 C LYS A 64 -6.933 4.801 -7.043 1.00 91.21 C
465
+ ATOM 465 CA LYS A 64 -7.985 5.455 -6.152 1.00 91.42 C
466
+ ATOM 466 CB LYS A 64 -9.375 4.930 -6.510 1.00 90.35 C
467
+ ATOM 467 CD LYS A 64 -11.826 4.803 -5.949 1.00 85.22 C
468
+ ATOM 468 CE LYS A 64 -12.963 5.488 -5.201 1.00 81.24 C
469
+ ATOM 469 CG LYS A 64 -10.471 5.374 -5.551 1.00 87.21 C
470
+ ATOM 470 N LYS A 64 -7.940 6.910 -6.267 1.00 91.49 N
471
+ ATOM 471 NZ LYS A 64 -14.298 4.983 -5.640 1.00 73.43 N
472
+ ATOM 472 O LYS A 64 -7.152 3.709 -7.573 1.00 89.76 O
473
+ ATOM 473 C CYS A 65 -3.884 4.130 -7.617 1.00 91.25 C
474
+ ATOM 474 CA CYS A 65 -4.828 5.148 -8.248 1.00 92.25 C
475
+ ATOM 475 CB CYS A 65 -4.035 6.369 -8.715 1.00 91.39 C
476
+ ATOM 476 N CYS A 65 -5.871 5.545 -7.309 1.00 92.33 N
477
+ ATOM 477 O CYS A 65 -2.881 3.749 -8.222 1.00 88.97 O
478
+ ATOM 478 SG CYS A 65 -3.315 7.330 -7.367 1.00 91.00 S
479
+ ATOM 479 C ASN A 66 -4.157 1.490 -5.251 1.00 90.42 C
480
+ ATOM 480 CA ASN A 66 -3.353 2.740 -5.599 1.00 91.41 C
481
+ ATOM 481 CB ASN A 66 -2.761 3.360 -4.332 1.00 91.02 C
482
+ ATOM 482 CG ASN A 66 -3.824 3.892 -3.391 1.00 90.88 C
483
+ ATOM 483 N ASN A 66 -4.166 3.717 -6.315 1.00 91.43 N
484
+ ATOM 484 ND2 ASN A 66 -3.546 3.841 -2.094 1.00 90.10 N
485
+ ATOM 485 O ASN A 66 -4.265 1.122 -4.080 1.00 88.19 O
486
+ ATOM 486 OD1 ASN A 66 -4.887 4.342 -3.825 1.00 89.23 O
487
+ ATOM 487 C PRO A 67 -4.590 -1.582 -5.487 1.00 88.92 C
488
+ ATOM 488 CA PRO A 67 -5.422 -0.426 -6.036 1.00 88.85 C
489
+ ATOM 489 CB PRO A 67 -6.019 -0.782 -7.400 1.00 87.72 C
490
+ ATOM 490 CD PRO A 67 -4.339 0.912 -7.874 1.00 83.87 C
491
+ ATOM 491 CG PRO A 67 -4.994 -0.336 -8.392 1.00 85.19 C
492
+ ATOM 492 N PRO A 67 -4.620 0.766 -6.318 1.00 88.98 N
493
+ ATOM 493 O PRO A 67 -3.392 -1.671 -5.767 1.00 87.86 O
494
+ ATOM 494 C HIS A 68 -4.384 -4.487 -5.409 1.00 87.33 C
495
+ ATOM 495 CA HIS A 68 -4.563 -3.594 -4.186 1.00 87.95 C
496
+ ATOM 496 CB HIS A 68 -5.407 -4.313 -3.130 1.00 86.46 C
497
+ ATOM 497 CD2 HIS A 68 -4.162 -5.564 -1.230 1.00 76.77 C
498
+ ATOM 498 CE1 HIS A 68 -3.828 -7.463 -2.273 1.00 77.35 C
499
+ ATOM 499 CG HIS A 68 -4.698 -5.451 -2.468 1.00 81.76 C
500
+ ATOM 500 N HIS A 68 -5.173 -2.320 -4.547 1.00 88.03 N
501
+ ATOM 501 ND1 HIS A 68 -4.472 -6.655 -3.099 1.00 72.38 N
502
+ ATOM 502 NE2 HIS A 68 -3.627 -6.825 -1.133 1.00 73.02 N
503
+ ATOM 503 O HIS A 68 -5.284 -4.586 -6.246 1.00 85.23 O
504
+ ATOM 504 C PRO A 69 -4.099 -7.060 -6.942 1.00 82.37 C
505
+ ATOM 505 CA PRO A 69 -3.027 -5.985 -6.786 1.00 83.37 C
506
+ ATOM 506 CB PRO A 69 -1.650 -6.615 -6.558 1.00 82.03 C
507
+ ATOM 507 CD PRO A 69 -2.052 -5.054 -4.737 1.00 78.60 C
508
+ ATOM 508 CG PRO A 69 -0.988 -5.731 -5.551 1.00 79.90 C
509
+ ATOM 509 N PRO A 69 -3.221 -5.160 -5.592 1.00 84.19 N
510
+ ATOM 510 O PRO A 69 -4.413 -7.466 -8.065 1.00 79.31 O
511
+ ATOM 511 C LYS A 70 -7.085 -8.055 -6.132 1.00 75.92 C
512
+ ATOM 512 CA LYS A 70 -5.694 -8.664 -5.988 1.00 76.70 C
513
+ ATOM 513 CB LYS A 70 -5.650 -9.588 -4.770 1.00 74.35 C
514
+ ATOM 514 CD LYS A 70 -4.479 -11.446 -3.540 1.00 67.52 C
515
+ ATOM 515 CE LYS A 70 -3.255 -12.351 -3.497 1.00 60.44 C
516
+ ATOM 516 CG LYS A 70 -4.404 -10.457 -4.696 1.00 69.68 C
517
+ ATOM 517 N LYS A 70 -4.673 -7.627 -5.883 1.00 78.30 N
518
+ ATOM 518 NZ LYS A 70 -3.286 -13.268 -2.319 1.00 53.69 N
519
+ ATOM 519 O LYS A 70 -8.063 -8.770 -6.359 1.00 71.09 O
520
+ ATOM 520 C GLN A 71 -8.702 -5.665 -7.500 1.00 70.11 C
521
+ ATOM 521 CA GLN A 71 -8.495 -6.160 -6.072 1.00 70.50 C
522
+ ATOM 522 CB GLN A 71 -8.614 -4.993 -5.090 1.00 65.62 C
523
+ ATOM 523 CD GLN A 71 -9.414 -4.188 -2.826 1.00 60.87 C
524
+ ATOM 524 CG GLN A 71 -9.244 -5.375 -3.757 1.00 61.46 C
525
+ ATOM 525 N GLN A 71 -7.202 -6.821 -5.927 1.00 71.66 N
526
+ ATOM 526 NE2 GLN A 71 -10.268 -4.340 -1.821 1.00 50.29 N
527
+ ATOM 527 O GLN A 71 -7.792 -5.091 -8.102 1.00 64.29 O
528
+ ATOM 528 OE1 GLN A 71 -8.782 -3.143 -3.010 1.00 60.10 O
529
+ ATOM 529 C ARG A 72 -10.740 -4.958 -9.901 1.00 52.82 C
530
+ ATOM 530 CA ARG A 72 -9.950 -6.255 -9.766 1.00 53.54 C
531
+ ATOM 531 CB ARG A 72 -10.811 -7.442 -10.203 1.00 48.87 C
532
+ ATOM 532 CD ARG A 72 -10.875 -9.817 -11.037 1.00 50.03 C
533
+ ATOM 533 CG ARG A 72 -10.037 -8.739 -10.364 1.00 47.07 C
534
+ ATOM 534 CZ ARG A 72 -10.610 -12.178 -11.725 1.00 44.14 C
535
+ ATOM 535 N ARG A 72 -9.478 -6.441 -8.397 1.00 52.89 N
536
+ ATOM 536 NE ARG A 72 -10.167 -11.093 -11.094 1.00 43.13 N
537
+ ATOM 537 NH1 ARG A 72 -11.773 -12.162 -12.367 1.00 32.77 N
538
+ ATOM 538 NH2 ARG A 72 -9.885 -13.287 -11.714 1.00 28.57 N
539
+ ATOM 539 O ARG A 72 -11.493 -4.586 -8.999 1.00 51.20 O
540
+ ATOM 540 C PRO A 73 -12.763 -3.301 -10.865 1.00 48.69 C
541
+ ATOM 541 CA PRO A 73 -11.322 -2.803 -10.949 1.00 48.35 C
542
+ ATOM 542 CB PRO A 73 -10.982 -2.352 -12.371 1.00 45.50 C
543
+ ATOM 543 CD PRO A 73 -9.569 -4.213 -11.696 1.00 47.32 C
544
+ ATOM 544 CG PRO A 73 -9.804 -3.183 -12.764 1.00 43.80 C
545
+ ATOM 545 N PRO A 73 -10.341 -3.858 -10.685 1.00 48.25 N
546
+ ATOM 546 O PRO A 73 -13.062 -4.415 -11.306 1.00 48.93 O
547
+ ATOM 547 C GLY A 74 -15.400 -2.308 -10.867 1.00 39.39 C
548
+ ATOM 548 CA GLY A 74 -14.893 -3.303 -9.840 1.00 40.37 C
549
+ ATOM 549 N GLY A 74 -13.459 -3.213 -9.616 1.00 39.48 N
550
+ ATOM 550 O GLY A 74 -14.724 -1.322 -11.170 1.00 38.82 O
551
+ TER 551 GLY A 74
552
+ END
1rgj/1rgj_protein_processed_fix.pdb ADDED
@@ -0,0 +1,1092 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C ILE A 1 -4.751 12.278 -1.889 1.00 0.00 C
2
+ ATOM 2 CA ILE A 1 -4.032 13.464 -2.535 1.00 0.00 C
3
+ ATOM 3 CB ILE A 1 -3.135 13.071 -3.709 1.00 0.00 C
4
+ ATOM 4 CD1 ILE A 1 -3.124 13.533 -6.189 1.00 0.00 C
5
+ ATOM 5 CG1 ILE A 1 -3.936 12.993 -5.010 1.00 0.00 C
6
+ ATOM 6 CG2 ILE A 1 -2.387 11.768 -3.418 1.00 0.00 C
7
+ ATOM 7 N ILE A 1 -3.266 14.170 -1.523 1.00 0.00 N
8
+ ATOM 8 O ILE A 1 -4.790 12.164 -0.664 1.00 0.00 O
9
+ ATOM 9 H1 ILE A 1 -2.636 14.660 -1.916 1.00 0.00 H
10
+ ATOM 10 H2 ILE A 1 -3.807 14.701 -1.057 1.00 0.00 H
11
+ ATOM 11 H3 ILE A 1 -2.885 13.582 -0.975 1.00 0.00 H
12
+ ATOM 12 HA ILE A 1 -4.715 14.043 -2.907 1.00 0.00 H
13
+ ATOM 13 HB ILE A 1 -2.467 13.765 -3.825 1.00 0.00 H
14
+ ATOM 14 HG12 ILE A 1 -4.190 12.073 -5.183 1.00 0.00 H
15
+ ATOM 15 HG13 ILE A 1 -4.757 13.501 -4.919 1.00 0.00 H
16
+ ATOM 16 HG21 ILE A 1 -1.826 11.540 -4.176 1.00 0.00 H
17
+ ATOM 17 HG22 ILE A 1 -1.834 11.881 -2.629 1.00 0.00 H
18
+ ATOM 18 HG23 ILE A 1 -3.026 11.055 -3.264 1.00 0.00 H
19
+ ATOM 19 HD11 ILE A 1 -3.652 13.473 -7.000 1.00 0.00 H
20
+ ATOM 20 HD12 ILE A 1 -2.890 14.460 -6.024 1.00 0.00 H
21
+ ATOM 21 HD13 ILE A 1 -2.314 13.009 -6.291 1.00 0.00 H
22
+ ATOM 22 C VAL A 2 -5.278 8.993 -2.712 1.00 0.00 C
23
+ ATOM 23 CA VAL A 2 -6.020 10.254 -2.265 1.00 0.00 C
24
+ ATOM 24 CB VAL A 2 -7.471 10.296 -2.751 1.00 0.00 C
25
+ ATOM 25 CG1 VAL A 2 -8.243 9.064 -2.276 1.00 0.00 C
26
+ ATOM 26 CG2 VAL A 2 -8.163 11.584 -2.299 1.00 0.00 C
27
+ ATOM 27 N VAL A 2 -5.304 11.427 -2.738 1.00 0.00 N
28
+ ATOM 28 O VAL A 2 -4.812 8.912 -3.848 1.00 0.00 O
29
+ ATOM 29 H VAL A 2 -5.276 11.510 -3.594 1.00 0.00 H
30
+ ATOM 30 HA VAL A 2 -6.051 10.243 -1.296 1.00 0.00 H
31
+ ATOM 31 HB VAL A 2 -7.462 10.287 -3.721 1.00 0.00 H
32
+ ATOM 32 HG11 VAL A 2 -9.158 9.112 -2.595 1.00 0.00 H
33
+ ATOM 33 HG12 VAL A 2 -7.821 8.263 -2.625 1.00 0.00 H
34
+ ATOM 34 HG13 VAL A 2 -8.240 9.034 -1.306 1.00 0.00 H
35
+ ATOM 35 HG21 VAL A 2 -9.079 11.588 -2.618 1.00 0.00 H
36
+ ATOM 36 HG22 VAL A 2 -8.158 11.631 -1.330 1.00 0.00 H
37
+ ATOM 37 HG23 VAL A 2 -7.691 12.350 -2.662 1.00 0.00 H
38
+ ATOM 38 C CYS A 3 -5.217 5.673 -1.304 1.00 0.00 C
39
+ ATOM 39 CA CYS A 3 -4.513 6.788 -2.080 1.00 0.00 C
40
+ ATOM 40 CB CYS A 3 -3.021 6.863 -1.745 1.00 0.00 C
41
+ ATOM 41 N CYS A 3 -5.190 8.041 -1.795 1.00 0.00 N
42
+ ATOM 42 O CYS A 3 -5.640 5.876 -0.168 1.00 0.00 O
43
+ ATOM 43 SG CYS A 3 -2.031 5.436 -2.320 1.00 0.00 S
44
+ ATOM 44 H CYS A 3 -5.516 8.101 -1.001 1.00 0.00 H
45
+ ATOM 45 HA CYS A 3 -4.563 6.600 -3.030 1.00 0.00 H
46
+ ATOM 46 HB2 CYS A 3 -2.655 7.672 -2.135 1.00 0.00 H
47
+ ATOM 47 HB3 CYS A 3 -2.922 6.942 -0.783 1.00 0.00 H
48
+ ATOM 48 HG CYS A 3 -1.576 5.675 -3.404 1.00 0.00 H
49
+ ATOM 49 C HIS A 4 -5.224 2.995 -0.049 1.00 0.00 C
50
+ ATOM 50 CA HIS A 4 -5.965 3.373 -1.334 1.00 0.00 C
51
+ ATOM 51 CB HIS A 4 -6.067 2.212 -2.323 1.00 0.00 C
52
+ ATOM 52 CD2 HIS A 4 -8.465 2.124 -3.358 1.00 0.00 C
53
+ ATOM 53 CE1 HIS A 4 -7.986 2.951 -5.326 1.00 0.00 C
54
+ ATOM 54 CG HIS A 4 -7.128 2.396 -3.380 1.00 0.00 C
55
+ ATOM 55 N HIS A 4 -5.319 4.521 -1.948 1.00 0.00 N
56
+ ATOM 56 ND1 HIS A 4 -6.857 2.915 -4.634 1.00 0.00 N
57
+ ATOM 57 NE2 HIS A 4 -8.982 2.460 -4.533 1.00 0.00 N
58
+ ATOM 58 O HIS A 4 -4.002 2.859 -0.050 1.00 0.00 O
59
+ ATOM 59 H HIS A 4 -5.020 4.383 -2.743 1.00 0.00 H
60
+ ATOM 60 HA HIS A 4 -6.876 3.602 -1.091 1.00 0.00 H
61
+ ATOM 61 HB2 HIS A 4 -5.208 2.093 -2.758 1.00 0.00 H
62
+ ATOM 62 HB3 HIS A 4 -6.251 1.396 -1.832 1.00 0.00 H
63
+ ATOM 63 HD1 HIS A 4 -6.086 3.171 -4.916 1.00 0.00 H
64
+ ATOM 64 HD2 HIS A 4 -8.935 1.764 -2.641 1.00 0.00 H
65
+ ATOM 65 HE1 HIS A 4 -8.083 3.257 -6.199 1.00 0.00 H
66
+ ATOM 66 HE2 HIS A 4 -9.808 2.381 -4.758 1.00 0.00 H
67
+ ATOM 67 C THR A 5 -6.104 1.219 2.853 1.00 0.00 C
68
+ ATOM 68 CA THR A 5 -5.428 2.478 2.305 1.00 0.00 C
69
+ ATOM 69 CB THR A 5 -5.556 3.688 3.232 1.00 0.00 C
70
+ ATOM 70 CG2 THR A 5 -4.493 3.699 4.333 1.00 0.00 C
71
+ ATOM 71 N THR A 5 -5.996 2.838 1.017 1.00 0.00 N
72
+ ATOM 72 O THR A 5 -7.329 1.143 2.909 1.00 0.00 O
73
+ ATOM 73 OG1 THR A 5 -5.212 4.797 2.406 1.00 0.00 O
74
+ ATOM 74 H THR A 5 -6.850 2.935 1.015 1.00 0.00 H
75
+ ATOM 75 HA THR A 5 -4.487 2.256 2.225 1.00 0.00 H
76
+ ATOM 76 HB THR A 5 -6.438 3.693 3.635 1.00 0.00 H
77
+ ATOM 77 HG1 THR A 5 -5.195 5.497 2.870 1.00 0.00 H
78
+ ATOM 78 HG21 THR A 5 -4.615 4.482 4.893 1.00 0.00 H
79
+ ATOM 79 HG22 THR A 5 -4.579 2.899 4.874 1.00 0.00 H
80
+ ATOM 80 HG23 THR A 5 -3.611 3.724 3.931 1.00 0.00 H
81
+ ATOM 81 C THR A 6 -5.921 -0.892 5.302 1.00 0.00 C
82
+ ATOM 82 CA THR A 6 -5.775 -0.989 3.782 1.00 0.00 C
83
+ ATOM 83 CB THR A 6 -4.833 -2.109 3.333 1.00 0.00 C
84
+ ATOM 84 CG2 THR A 6 -3.571 -2.195 4.193 1.00 0.00 C
85
+ ATOM 85 N THR A 6 -5.272 0.262 3.241 1.00 0.00 N
86
+ ATOM 86 O THR A 6 -6.261 -1.876 5.961 1.00 0.00 O
87
+ ATOM 87 OG1 THR A 6 -5.546 -3.305 3.640 1.00 0.00 O
88
+ ATOM 88 H THR A 6 -4.415 0.318 3.199 1.00 0.00 H
89
+ ATOM 89 HA THR A 6 -6.663 -1.187 3.446 1.00 0.00 H
90
+ ATOM 90 HB THR A 6 -4.582 -1.968 2.407 1.00 0.00 H
91
+ ATOM 91 HG1 THR A 6 -5.069 -3.971 3.455 1.00 0.00 H
92
+ ATOM 92 HG21 THR A 6 -3.008 -2.916 3.871 1.00 0.00 H
93
+ ATOM 93 HG22 THR A 6 -3.085 -1.357 4.139 1.00 0.00 H
94
+ ATOM 94 HG23 THR A 6 -3.819 -2.366 5.115 1.00 0.00 H
95
+ ATOM 95 C ALA A 7 -7.032 -0.118 7.779 1.00 0.00 C
96
+ ATOM 96 CA ALA A 7 -5.757 0.537 7.244 1.00 0.00 C
97
+ ATOM 97 CB ALA A 7 -5.717 2.042 7.517 1.00 0.00 C
98
+ ATOM 98 N ALA A 7 -5.658 0.299 5.815 1.00 0.00 N
99
+ ATOM 99 O ALA A 7 -6.999 -0.808 8.798 1.00 0.00 O
100
+ ATOM 100 H ALA A 7 -5.420 0.984 5.352 1.00 0.00 H
101
+ ATOM 101 HA ALA A 7 -5.004 0.138 7.708 1.00 0.00 H
102
+ ATOM 102 HB1 ALA A 7 -5.783 2.200 8.472 1.00 0.00 H
103
+ ATOM 103 HB2 ALA A 7 -4.882 2.409 7.186 1.00 0.00 H
104
+ ATOM 104 HB3 ALA A 7 -6.460 2.473 7.066 1.00 0.00 H
105
+ ATOM 105 C THR A 8 -9.507 -1.902 7.022 1.00 0.00 C
106
+ ATOM 106 CA THR A 8 -9.407 -0.440 7.459 1.00 0.00 C
107
+ ATOM 107 CB THR A 8 -10.507 0.446 6.872 1.00 0.00 C
108
+ ATOM 108 CG2 THR A 8 -10.402 1.899 7.343 1.00 0.00 C
109
+ ATOM 109 N THR A 8 -8.125 0.119 7.068 1.00 0.00 N
110
+ ATOM 110 O THR A 8 -8.867 -2.310 6.053 1.00 0.00 O
111
+ ATOM 111 OG1 THR A 8 -10.199 0.510 5.484 1.00 0.00 O
112
+ ATOM 112 H THR A 8 -8.145 0.601 6.356 1.00 0.00 H
113
+ ATOM 113 HA THR A 8 -9.508 -0.448 8.424 1.00 0.00 H
114
+ ATOM 114 HB THR A 8 -11.374 0.088 7.117 1.00 0.00 H
115
+ ATOM 115 HG1 THR A 8 -9.768 -0.176 5.260 1.00 0.00 H
116
+ ATOM 116 HG21 THR A 8 -11.117 2.420 6.946 1.00 0.00 H
117
+ ATOM 117 HG22 THR A 8 -10.476 1.932 8.310 1.00 0.00 H
118
+ ATOM 118 HG23 THR A 8 -9.546 2.266 7.072 1.00 0.00 H
119
+ ATOM 119 C SER A 9 -10.619 -4.262 5.941 1.00 0.00 C
120
+ ATOM 120 CA SER A 9 -10.509 -4.061 7.454 1.00 0.00 C
121
+ ATOM 121 CB SER A 9 -11.753 -4.609 8.154 1.00 0.00 C
122
+ ATOM 122 N SER A 9 -10.316 -2.652 7.756 1.00 0.00 N
123
+ ATOM 123 O SER A 9 -9.811 -4.974 5.346 1.00 0.00 O
124
+ ATOM 124 OG SER A 9 -12.594 -5.331 7.260 1.00 0.00 O
125
+ ATOM 125 H SER A 9 -10.762 -2.365 8.433 1.00 0.00 H
126
+ ATOM 126 HA SER A 9 -9.740 -4.551 7.784 1.00 0.00 H
127
+ ATOM 127 HB2 SER A 9 -11.484 -5.189 8.883 1.00 0.00 H
128
+ ATOM 128 HB3 SER A 9 -12.253 -3.875 8.545 1.00 0.00 H
129
+ ATOM 129 HG SER A 9 -13.265 -5.618 7.676 1.00 0.00 H
130
+ ATOM 130 C PRO A 10 -10.856 -2.873 3.140 1.00 0.00 C
131
+ ATOM 131 CA PRO A 10 -11.877 -3.708 3.916 1.00 0.00 C
132
+ ATOM 132 CB PRO A 10 -13.308 -3.238 3.709 1.00 0.00 C
133
+ ATOM 133 CD PRO A 10 -12.628 -2.755 6.021 1.00 0.00 C
134
+ ATOM 134 CG PRO A 10 -13.674 -2.455 4.960 1.00 0.00 C
135
+ ATOM 135 N PRO A 10 -11.652 -3.607 5.349 1.00 0.00 N
136
+ ATOM 136 O PRO A 10 -9.790 -2.549 3.660 1.00 0.00 O
137
+ ATOM 137 HA PRO A 10 -11.760 -4.611 3.582 1.00 0.00 H
138
+ ATOM 138 HB2 PRO A 10 -13.380 -2.682 2.917 1.00 0.00 H
139
+ ATOM 139 HB3 PRO A 10 -13.906 -3.991 3.583 1.00 0.00 H
140
+ ATOM 140 HG2 PRO A 10 -13.702 -1.504 4.770 1.00 0.00 H
141
+ ATOM 141 HG3 PRO A 10 -14.557 -2.707 5.273 1.00 0.00 H
142
+ ATOM 142 HD2 PRO A 10 -12.217 -1.941 6.351 1.00 0.00 H
143
+ ATOM 143 HD3 PRO A 10 -13.021 -3.204 6.786 1.00 0.00 H
144
+ ATOM 144 C ILE A 11 -11.045 -0.448 0.693 1.00 0.00 C
145
+ ATOM 145 CA ILE A 11 -10.347 -1.760 1.054 1.00 0.00 C
146
+ ATOM 146 CB ILE A 11 -9.906 -2.575 -0.163 1.00 0.00 C
147
+ ATOM 147 CD1 ILE A 11 -10.819 -4.920 0.014 1.00 0.00 C
148
+ ATOM 148 CG1 ILE A 11 -9.598 -4.022 0.229 1.00 0.00 C
149
+ ATOM 149 CG2 ILE A 11 -8.724 -1.909 -0.870 1.00 0.00 C
150
+ ATOM 150 N ILE A 11 -11.218 -2.550 1.908 1.00 0.00 N
151
+ ATOM 151 O ILE A 11 -12.274 -0.388 0.641 1.00 0.00 O
152
+ ATOM 152 H ILE A 11 -11.964 -2.778 1.547 1.00 0.00 H
153
+ ATOM 153 HA ILE A 11 -9.532 -1.528 1.526 1.00 0.00 H
154
+ ATOM 154 HB ILE A 11 -10.641 -2.599 -0.795 1.00 0.00 H
155
+ ATOM 155 HG12 ILE A 11 -8.853 -4.352 -0.297 1.00 0.00 H
156
+ ATOM 156 HG13 ILE A 11 -9.326 -4.058 1.159 1.00 0.00 H
157
+ ATOM 157 HG21 ILE A 11 -8.463 -2.443 -1.637 1.00 0.00 H
158
+ ATOM 158 HG22 ILE A 11 -8.982 -1.022 -1.167 1.00 0.00 H
159
+ ATOM 159 HG23 ILE A 11 -7.977 -1.839 -0.255 1.00 0.00 H
160
+ ATOM 160 HD11 ILE A 11 -10.600 -5.830 0.269 1.00 0.00 H
161
+ ATOM 161 HD12 ILE A 11 -11.556 -4.601 0.558 1.00 0.00 H
162
+ ATOM 162 HD13 ILE A 11 -11.076 -4.899 -0.921 1.00 0.00 H
163
+ ATOM 163 C SER A 12 -9.609 2.862 -0.125 1.00 0.00 C
164
+ ATOM 164 CA SER A 12 -10.759 1.880 0.102 1.00 0.00 C
165
+ ATOM 165 CB SER A 12 -11.701 2.407 1.187 1.00 0.00 C
166
+ ATOM 166 N SER A 12 -10.235 0.573 0.455 1.00 0.00 N
167
+ ATOM 167 O SER A 12 -8.441 2.493 -0.013 1.00 0.00 O
168
+ ATOM 168 OG SER A 12 -13.038 1.949 1.003 1.00 0.00 O
169
+ ATOM 169 H SER A 12 -9.377 0.529 0.493 1.00 0.00 H
170
+ ATOM 170 HA SER A 12 -11.267 1.792 -0.719 1.00 0.00 H
171
+ ATOM 171 HB2 SER A 12 -11.380 2.124 2.058 1.00 0.00 H
172
+ ATOM 172 HB3 SER A 12 -11.689 3.377 1.181 1.00 0.00 H
173
+ ATOM 173 HG SER A 12 -13.031 1.229 0.571 1.00 0.00 H
174
+ ATOM 174 C ALA A 13 -9.546 6.478 -0.213 1.00 0.00 C
175
+ ATOM 175 CA ALA A 13 -8.991 5.132 -0.686 1.00 0.00 C
176
+ ATOM 176 CB ALA A 13 -8.620 5.145 -2.170 1.00 0.00 C
177
+ ATOM 177 N ALA A 13 -9.979 4.095 -0.442 1.00 0.00 N
178
+ ATOM 178 O ALA A 13 -10.623 6.893 -0.635 1.00 0.00 O
179
+ ATOM 179 H ALA A 13 -10.796 4.351 -0.521 1.00 0.00 H
180
+ ATOM 180 HA ALA A 13 -8.179 4.955 -0.185 1.00 0.00 H
181
+ ATOM 181 HB1 ALA A 13 -7.960 5.837 -2.333 1.00 0.00 H
182
+ ATOM 182 HB2 ALA A 13 -8.252 4.283 -2.419 1.00 0.00 H
183
+ ATOM 183 HB3 ALA A 13 -9.412 5.323 -2.700 1.00 0.00 H
184
+ ATOM 184 C VAL A 14 -8.100 9.447 0.883 1.00 0.00 C
185
+ ATOM 185 CA VAL A 14 -9.184 8.412 1.192 1.00 0.00 C
186
+ ATOM 186 CB VAL A 14 -9.482 8.289 2.689 1.00 0.00 C
187
+ ATOM 187 CG1 VAL A 14 -8.334 8.858 3.525 1.00 0.00 C
188
+ ATOM 188 CG2 VAL A 14 -10.806 8.967 3.042 1.00 0.00 C
189
+ ATOM 189 N VAL A 14 -8.782 7.123 0.658 1.00 0.00 N
190
+ ATOM 190 O VAL A 14 -7.057 9.111 0.327 1.00 0.00 O
191
+ ATOM 191 H VAL A 14 -8.028 6.831 0.951 1.00 0.00 H
192
+ ATOM 192 HA VAL A 14 -10.003 8.714 0.769 1.00 0.00 H
193
+ ATOM 193 HB VAL A 14 -9.565 7.346 2.900 1.00 0.00 H
194
+ ATOM 194 HG11 VAL A 14 -8.545 8.769 4.468 1.00 0.00 H
195
+ ATOM 195 HG12 VAL A 14 -7.518 8.371 3.329 1.00 0.00 H
196
+ ATOM 196 HG13 VAL A 14 -8.210 9.795 3.309 1.00 0.00 H
197
+ ATOM 197 HG21 VAL A 14 -10.973 8.876 3.993 1.00 0.00 H
198
+ ATOM 198 HG22 VAL A 14 -10.760 9.908 2.811 1.00 0.00 H
199
+ ATOM 199 HG23 VAL A 14 -11.527 8.548 2.546 1.00 0.00 H
200
+ ATOM 200 C THR A 15 -6.524 11.945 2.231 1.00 0.00 C
201
+ ATOM 201 CA THR A 15 -7.449 11.772 1.025 1.00 0.00 C
202
+ ATOM 202 CB THR A 15 -8.255 13.029 0.692 1.00 0.00 C
203
+ ATOM 203 CG2 THR A 15 -7.694 13.781 -0.517 1.00 0.00 C
204
+ ATOM 204 N THR A 15 -8.385 10.686 1.256 1.00 0.00 N
205
+ ATOM 205 O THR A 15 -6.970 12.337 3.308 1.00 0.00 O
206
+ ATOM 206 OG1 THR A 15 -9.509 12.527 0.236 1.00 0.00 O
207
+ ATOM 207 H THR A 15 -9.116 10.918 1.645 1.00 0.00 H
208
+ ATOM 208 HA THR A 15 -6.866 11.580 0.274 1.00 0.00 H
209
+ ATOM 209 HB THR A 15 -8.267 13.618 1.462 1.00 0.00 H
210
+ ATOM 210 HG1 THR A 15 -9.959 13.155 -0.094 1.00 0.00 H
211
+ ATOM 211 HG21 THR A 15 -8.235 14.567 -0.689 1.00 0.00 H
212
+ ATOM 212 HG22 THR A 15 -6.781 14.052 -0.335 1.00 0.00 H
213
+ ATOM 213 HG23 THR A 15 -7.710 13.201 -1.295 1.00 0.00 H
214
+ ATOM 214 C CYS A 16 -4.440 13.123 3.744 1.00 0.00 C
215
+ ATOM 215 CA CYS A 16 -4.262 11.763 3.066 1.00 0.00 C
216
+ ATOM 216 CB CYS A 16 -2.841 11.574 2.531 1.00 0.00 C
217
+ ATOM 217 N CYS A 16 -5.252 11.645 2.009 1.00 0.00 N
218
+ ATOM 218 O CYS A 16 -5.217 13.954 3.279 1.00 0.00 O
219
+ ATOM 219 SG CYS A 16 -1.947 10.132 3.217 1.00 0.00 S
220
+ ATOM 220 H CYS A 16 -4.943 11.372 1.255 1.00 0.00 H
221
+ ATOM 221 HA CYS A 16 -4.397 11.058 3.719 1.00 0.00 H
222
+ ATOM 222 HB2 CYS A 16 -2.882 11.484 1.566 1.00 0.00 H
223
+ ATOM 223 HB3 CYS A 16 -2.329 12.376 2.720 1.00 0.00 H
224
+ ATOM 224 HG CYS A 16 -2.657 9.165 3.179 1.00 0.00 H
225
+ ATOM 225 C PRO A 17 -3.012 15.675 4.877 1.00 0.00 C
226
+ ATOM 226 CA PRO A 17 -3.756 14.556 5.608 1.00 0.00 C
227
+ ATOM 227 CB PRO A 17 -3.156 14.233 6.967 1.00 0.00 C
228
+ ATOM 228 CD PRO A 17 -2.757 12.348 5.441 1.00 0.00 C
229
+ ATOM 229 CG PRO A 17 -2.354 12.956 6.774 1.00 0.00 C
230
+ ATOM 230 N PRO A 17 -3.688 13.311 4.861 1.00 0.00 N
231
+ ATOM 231 O PRO A 17 -2.457 15.457 3.801 1.00 0.00 O
232
+ ATOM 232 HA PRO A 17 -4.663 14.886 5.704 1.00 0.00 H
233
+ ATOM 233 HB2 PRO A 17 -2.589 14.956 7.278 1.00 0.00 H
234
+ ATOM 234 HB3 PRO A 17 -3.850 14.110 7.633 1.00 0.00 H
235
+ ATOM 235 HG2 PRO A 17 -1.403 13.147 6.786 1.00 0.00 H
236
+ ATOM 236 HG3 PRO A 17 -2.528 12.334 7.497 1.00 0.00 H
237
+ ATOM 237 HD2 PRO A 17 -1.986 12.214 4.868 1.00 0.00 H
238
+ ATOM 238 HD3 PRO A 17 -3.176 11.481 5.561 1.00 0.00 H
239
+ ATOM 239 C PRO A 18 -0.844 17.930 5.087 1.00 0.00 C
240
+ ATOM 240 CA PRO A 18 -2.362 18.035 4.926 1.00 0.00 C
241
+ ATOM 241 CB PRO A 18 -2.954 19.235 5.647 1.00 0.00 C
242
+ ATOM 242 CD PRO A 18 -3.676 17.177 6.780 1.00 0.00 C
243
+ ATOM 243 CG PRO A 18 -3.584 18.688 6.918 1.00 0.00 C
244
+ ATOM 244 N PRO A 18 -3.028 16.881 5.505 1.00 0.00 N
245
+ ATOM 245 O PRO A 18 -0.154 18.945 5.172 1.00 0.00 O
246
+ ATOM 246 HA PRO A 18 -2.503 18.107 3.969 1.00 0.00 H
247
+ ATOM 247 HB2 PRO A 18 -2.269 19.890 5.853 1.00 0.00 H
248
+ ATOM 248 HB3 PRO A 18 -3.616 19.681 5.095 1.00 0.00 H
249
+ ATOM 249 HG2 PRO A 18 -3.050 18.926 7.692 1.00 0.00 H
250
+ ATOM 250 HG3 PRO A 18 -4.465 19.071 7.053 1.00 0.00 H
251
+ ATOM 251 HD2 PRO A 18 -3.229 16.728 7.515 1.00 0.00 H
252
+ ATOM 252 HD3 PRO A 18 -4.599 16.878 6.784 1.00 0.00 H
253
+ ATOM 253 C GLY A 19 1.525 15.354 4.309 1.00 0.00 C
254
+ ATOM 254 CA GLY A 19 1.055 16.445 5.274 1.00 0.00 C
255
+ ATOM 255 N GLY A 19 -0.369 16.695 5.124 1.00 0.00 N
256
+ ATOM 256 O GLY A 19 2.710 15.029 4.263 1.00 0.00 O
257
+ ATOM 257 H GLY A 19 -0.854 15.987 5.064 1.00 0.00 H
258
+ ATOM 258 HA2 GLY A 19 1.550 17.263 5.108 1.00 0.00 H
259
+ ATOM 259 HA3 GLY A 19 1.246 16.178 6.187 1.00 0.00 H
260
+ ATOM 260 C GLU A 20 0.068 13.987 1.314 1.00 0.00 C
261
+ ATOM 261 CA GLU A 20 0.872 13.774 2.597 1.00 0.00 C
262
+ ATOM 262 CB GLU A 20 0.602 12.390 3.191 1.00 0.00 C
263
+ ATOM 263 CD GLU A 20 0.805 11.365 5.485 1.00 0.00 C
264
+ ATOM 264 CG GLU A 20 1.539 12.106 4.366 1.00 0.00 C
265
+ ATOM 265 N GLU A 20 0.571 14.821 3.559 1.00 0.00 N
266
+ ATOM 266 O GLU A 20 -1.157 14.098 1.354 1.00 0.00 O
267
+ ATOM 267 OE1 GLU A 20 0.807 11.823 6.638 1.00 0.00 O
268
+ ATOM 268 OE2 GLU A 20 0.218 10.274 5.124 1.00 0.00 O
269
+ ATOM 269 H GLU A 20 -0.257 15.052 3.592 1.00 0.00 H
270
+ ATOM 270 HA GLU A 20 1.816 13.821 2.378 1.00 0.00 H
271
+ ATOM 271 HB2 GLU A 20 -0.320 12.336 3.488 1.00 0.00 H
272
+ ATOM 272 HB3 GLU A 20 0.720 11.712 2.507 1.00 0.00 H
273
+ ATOM 273 HG2 GLU A 20 2.293 11.576 4.062 1.00 0.00 H
274
+ ATOM 274 HG3 GLU A 20 1.898 12.940 4.707 1.00 0.00 H
275
+ ATOM 275 C ASN A 21 0.586 13.112 -2.039 1.00 0.00 C
276
+ ATOM 276 CA ASN A 21 0.157 14.233 -1.091 1.00 0.00 C
277
+ ATOM 277 CB ASN A 21 0.580 15.566 -1.713 1.00 0.00 C
278
+ ATOM 278 CG ASN A 21 -0.484 16.078 -2.686 1.00 0.00 C
279
+ ATOM 279 N ASN A 21 0.788 14.037 0.203 1.00 0.00 N
280
+ ATOM 280 ND2 ASN A 21 -0.053 17.034 -3.504 1.00 0.00 N
281
+ ATOM 281 O ASN A 21 0.185 13.089 -3.202 1.00 0.00 O
282
+ ATOM 282 OD1 ASN A 21 -1.622 15.637 -2.692 1.00 0.00 O
283
+ ATOM 283 H ASN A 21 1.644 13.959 0.177 1.00 0.00 H
284
+ ATOM 284 HA ASN A 21 -0.804 14.230 -0.960 1.00 0.00 H
285
+ ATOM 285 HB2 ASN A 21 0.726 16.222 -1.013 1.00 0.00 H
286
+ ATOM 286 HB3 ASN A 21 1.424 15.456 -2.179 1.00 0.00 H
287
+ ATOM 287 HD21 ASN A 21 -0.588 17.379 -4.082 1.00 0.00 H
288
+ ATOM 288 HD22 ASN A 21 0.761 17.307 -3.455 1.00 0.00 H
289
+ ATOM 289 C LEU A 22 1.078 9.834 -1.937 1.00 0.00 C
290
+ ATOM 290 CA LEU A 22 1.883 11.086 -2.291 1.00 0.00 C
291
+ ATOM 291 CB LEU A 22 3.392 10.919 -2.106 1.00 0.00 C
292
+ ATOM 292 CD1 LEU A 22 5.045 12.767 -2.567 1.00 0.00 C
293
+ ATOM 293 CD2 LEU A 22 5.207 10.568 -3.821 1.00 0.00 C
294
+ ATOM 294 CG LEU A 22 4.275 11.587 -3.162 1.00 0.00 C
295
+ ATOM 295 N LEU A 22 1.395 12.207 -1.507 1.00 0.00 N
296
+ ATOM 296 O LEU A 22 0.136 9.899 -1.148 1.00 0.00 O
297
+ ATOM 297 H LEU A 22 1.673 12.225 -0.693 1.00 0.00 H
298
+ ATOM 298 HA LEU A 22 1.751 11.251 -3.238 1.00 0.00 H
299
+ ATOM 299 HB2 LEU A 22 3.634 11.273 -1.236 1.00 0.00 H
300
+ ATOM 300 HB3 LEU A 22 3.595 9.971 -2.093 1.00 0.00 H
301
+ ATOM 301 HG LEU A 22 3.700 11.942 -3.858 1.00 0.00 H
302
+ ATOM 302 HD11 LEU A 22 5.596 13.173 -3.254 1.00 0.00 H
303
+ ATOM 303 HD12 LEU A 22 4.418 13.424 -2.226 1.00 0.00 H
304
+ ATOM 304 HD13 LEU A 22 5.610 12.453 -1.843 1.00 0.00 H
305
+ ATOM 305 HD21 LEU A 22 5.756 11.013 -4.485 1.00 0.00 H
306
+ ATOM 306 HD22 LEU A 22 5.778 10.168 -3.147 1.00 0.00 H
307
+ ATOM 307 HD23 LEU A 22 4.679 9.876 -4.249 1.00 0.00 H
308
+ ATOM 308 C CYS A 23 1.860 6.350 -2.266 1.00 0.00 C
309
+ ATOM 309 CA CYS A 23 0.806 7.457 -2.295 1.00 0.00 C
310
+ ATOM 310 CB CYS A 23 -0.279 7.185 -3.340 1.00 0.00 C
311
+ ATOM 311 N CYS A 23 1.477 8.723 -2.538 1.00 0.00 N
312
+ ATOM 312 O CYS A 23 2.791 6.353 -3.073 1.00 0.00 O
313
+ ATOM 313 SG CYS A 23 -0.959 5.485 -3.316 1.00 0.00 S
314
+ ATOM 314 H CYS A 23 2.135 8.681 -3.090 1.00 0.00 H
315
+ ATOM 315 HA CYS A 23 0.350 7.489 -1.439 1.00 0.00 H
316
+ ATOM 316 HB2 CYS A 23 -1.006 7.813 -3.204 1.00 0.00 H
317
+ ATOM 317 HB3 CYS A 23 0.087 7.361 -4.221 1.00 0.00 H
318
+ ATOM 318 HG CYS A 23 -1.588 5.320 -2.308 1.00 0.00 H
319
+ ATOM 319 C TYR A 24 1.869 2.980 -1.246 1.00 0.00 C
320
+ ATOM 320 CA TYR A 24 2.607 4.318 -1.187 1.00 0.00 C
321
+ ATOM 321 CB TYR A 24 3.243 4.477 0.196 1.00 0.00 C
322
+ ATOM 322 CD1 TYR A 24 2.361 2.650 1.693 1.00 0.00 C
323
+ ATOM 323 CD2 TYR A 24 1.569 4.880 2.037 1.00 0.00 C
324
+ ATOM 324 CE1 TYR A 24 1.532 2.188 2.776 1.00 0.00 C
325
+ ATOM 325 CE2 TYR A 24 0.740 4.418 3.120 1.00 0.00 C
326
+ ATOM 326 CG TYR A 24 2.363 3.986 1.346 1.00 0.00 C
327
+ ATOM 327 CZ TYR A 24 0.762 3.095 3.436 1.00 0.00 C
328
+ ATOM 328 N TYR A 24 1.681 5.429 -1.331 1.00 0.00 N
329
+ ATOM 329 O TYR A 24 0.655 2.944 -1.442 1.00 0.00 O
330
+ ATOM 330 OH TYR A 24 -0.021 2.659 4.459 1.00 0.00 O
331
+ ATOM 331 H TYR A 24 1.029 5.429 -0.770 1.00 0.00 H
332
+ ATOM 332 HA TYR A 24 3.263 4.324 -1.901 1.00 0.00 H
333
+ ATOM 333 HB2 TYR A 24 4.082 3.991 0.213 1.00 0.00 H
334
+ ATOM 334 HB3 TYR A 24 3.454 5.413 0.339 1.00 0.00 H
335
+ ATOM 335 HD1 TYR A 24 2.895 2.048 1.227 1.00 0.00 H
336
+ ATOM 336 HD2 TYR A 24 1.570 5.780 1.803 1.00 0.00 H
337
+ ATOM 337 HE1 TYR A 24 1.523 1.290 3.019 1.00 0.00 H
338
+ ATOM 338 HE2 TYR A 24 0.202 5.011 3.593 1.00 0.00 H
339
+ ATOM 339 HH TYR A 24 0.224 1.890 4.691 1.00 0.00 H
340
+ ATOM 340 C ARG A 25 3.086 -0.446 -0.586 1.00 0.00 C
341
+ ATOM 341 CA ARG A 25 2.067 0.573 -1.101 1.00 0.00 C
342
+ ATOM 342 CB ARG A 25 1.642 0.187 -2.520 1.00 0.00 C
343
+ ATOM 343 CD ARG A 25 2.475 -1.878 -3.704 1.00 0.00 C
344
+ ATOM 344 CG ARG A 25 1.504 -1.331 -2.656 1.00 0.00 C
345
+ ATOM 345 CZ ARG A 25 3.116 -1.166 -6.013 1.00 0.00 C
346
+ ATOM 346 N ARG A 25 2.633 1.911 -1.070 1.00 0.00 N
347
+ ATOM 347 NE ARG A 25 2.209 -1.251 -5.018 1.00 0.00 N
348
+ ATOM 348 NH1 ARG A 25 4.360 -1.668 -5.853 1.00 0.00 N
349
+ ATOM 349 NH2 ARG A 25 2.769 -0.585 -7.146 1.00 0.00 N
350
+ ATOM 350 O ARG A 25 3.856 -1.006 -1.364 1.00 0.00 O
351
+ ATOM 351 H ARG A 25 3.481 1.939 -0.931 1.00 0.00 H
352
+ ATOM 352 HA ARG A 25 1.284 0.570 -0.528 1.00 0.00 H
353
+ ATOM 353 HB2 ARG A 25 0.798 0.613 -2.736 1.00 0.00 H
354
+ ATOM 354 HB3 ARG A 25 2.296 0.514 -3.158 1.00 0.00 H
355
+ ATOM 355 HG2 ARG A 25 1.676 -1.753 -1.800 1.00 0.00 H
356
+ ATOM 356 HG3 ARG A 25 0.594 -1.555 -2.905 1.00 0.00 H
357
+ ATOM 357 HD2 ARG A 25 3.389 -1.701 -3.432 1.00 0.00 H
358
+ ATOM 358 HD3 ARG A 25 2.380 -2.841 -3.772 1.00 0.00 H
359
+ ATOM 359 HE ARG A 25 1.427 -0.920 -5.156 1.00 0.00 H
360
+ ATOM 360 HH11 ARG A 25 4.579 -2.046 -5.112 1.00 0.00 H
361
+ ATOM 361 HH12 ARG A 25 4.933 -1.610 -6.492 1.00 0.00 H
362
+ ATOM 362 HH21 ARG A 25 1.975 -0.268 -7.241 1.00 0.00 H
363
+ ATOM 363 HH22 ARG A 25 3.337 -0.523 -7.789 1.00 0.00 H
364
+ ATOM 364 C LYS A 26 3.999 -2.891 0.535 1.00 0.00 C
365
+ ATOM 365 CA LYS A 26 3.968 -1.596 1.350 1.00 0.00 C
366
+ ATOM 366 CB LYS A 26 3.596 -1.802 2.819 1.00 0.00 C
367
+ ATOM 367 CD LYS A 26 4.881 -1.783 4.990 1.00 0.00 C
368
+ ATOM 368 CE LYS A 26 6.346 -1.543 5.360 1.00 0.00 C
369
+ ATOM 369 CG LYS A 26 4.763 -2.412 3.600 1.00 0.00 C
370
+ ATOM 370 N LYS A 26 3.057 -0.655 0.722 1.00 0.00 N
371
+ ATOM 371 NZ LYS A 26 6.556 -0.134 5.759 1.00 0.00 N
372
+ ATOM 372 O LYS A 26 3.244 -3.042 -0.426 1.00 0.00 O
373
+ ATOM 373 H LYS A 26 2.517 -0.262 1.263 1.00 0.00 H
374
+ ATOM 374 HA LYS A 26 4.871 -1.242 1.355 1.00 0.00 H
375
+ ATOM 375 HB2 LYS A 26 3.346 -0.953 3.215 1.00 0.00 H
376
+ ATOM 376 HB3 LYS A 26 2.822 -2.383 2.882 1.00 0.00 H
377
+ ATOM 377 HG2 LYS A 26 4.635 -3.370 3.685 1.00 0.00 H
378
+ ATOM 378 HG3 LYS A 26 5.589 -2.279 3.110 1.00 0.00 H
379
+ ATOM 379 HD2 LYS A 26 4.397 -0.943 5.011 1.00 0.00 H
380
+ ATOM 380 HD3 LYS A 26 4.469 -2.364 5.648 1.00 0.00 H
381
+ ATOM 381 HE2 LYS A 26 6.602 -2.132 6.087 1.00 0.00 H
382
+ ATOM 382 HE3 LYS A 26 6.915 -1.759 4.605 1.00 0.00 H
383
+ ATOM 383 HZ1 LYS A 26 7.346 -0.053 6.160 1.00 0.00 H
384
+ ATOM 384 HZ2 LYS A 26 6.536 0.385 5.037 1.00 0.00 H
385
+ ATOM 385 HZ3 LYS A 26 5.912 0.115 6.321 1.00 0.00 H
386
+ ATOM 386 C MET A 27 6.139 -5.901 0.889 1.00 0.00 C
387
+ ATOM 387 CA MET A 27 5.014 -5.069 0.269 1.00 0.00 C
388
+ ATOM 388 CB MET A 27 5.313 -4.829 -1.212 1.00 0.00 C
389
+ ATOM 389 CE MET A 27 5.169 -5.000 -4.553 1.00 0.00 C
390
+ ATOM 390 CG MET A 27 4.048 -4.982 -2.058 1.00 0.00 C
391
+ ATOM 391 N MET A 27 4.877 -3.793 0.949 1.00 0.00 N
392
+ ATOM 392 O MET A 27 7.208 -5.376 1.197 1.00 0.00 O
393
+ ATOM 393 SD MET A 27 4.352 -6.105 -3.414 1.00 0.00 S
394
+ ATOM 394 H MET A 27 5.402 -3.685 1.621 1.00 0.00 H
395
+ ATOM 395 HA MET A 27 4.182 -5.558 0.363 1.00 0.00 H
396
+ ATOM 396 HB2 MET A 27 5.680 -3.939 -1.331 1.00 0.00 H
397
+ ATOM 397 HB3 MET A 27 5.987 -5.457 -1.515 1.00 0.00 H
398
+ ATOM 398 HG2 MET A 27 3.321 -5.315 -1.509 1.00 0.00 H
399
+ ATOM 399 HG3 MET A 27 3.772 -4.117 -2.400 1.00 0.00 H
400
+ ATOM 400 HE1 MET A 27 5.402 -5.483 -5.362 1.00 0.00 H
401
+ ATOM 401 HE2 MET A 27 4.575 -4.266 -4.775 1.00 0.00 H
402
+ ATOM 402 HE3 MET A 27 5.975 -4.650 -4.143 1.00 0.00 H
403
+ ATOM 403 C TRP A 28 6.253 -9.509 1.573 1.00 0.00 C
404
+ ATOM 404 CA TRP A 28 6.834 -8.095 1.631 1.00 0.00 C
405
+ ATOM 405 CB TRP A 28 7.217 -7.663 3.047 1.00 0.00 C
406
+ ATOM 406 CD1 TRP A 28 4.815 -7.485 3.972 1.00 0.00 C
407
+ ATOM 407 CD2 TRP A 28 6.223 -8.456 5.379 1.00 0.00 C
408
+ ATOM 408 CE2 TRP A 28 4.985 -8.425 5.990 1.00 0.00 C
409
+ ATOM 409 CE3 TRP A 28 7.343 -9.016 6.019 1.00 0.00 C
410
+ ATOM 410 CG TRP A 28 6.100 -7.846 4.077 1.00 0.00 C
411
+ ATOM 411 CH2 TRP A 28 5.852 -9.499 7.930 1.00 0.00 C
412
+ ATOM 412 CZ2 TRP A 28 4.751 -8.936 7.272 1.00 0.00 C
413
+ ATOM 413 CZ3 TRP A 28 7.091 -9.523 7.301 1.00 0.00 C
414
+ ATOM 414 N TRP A 28 5.860 -7.185 1.052 1.00 0.00 N
415
+ ATOM 415 NE1 TRP A 28 4.102 -7.816 5.107 1.00 0.00 N
416
+ ATOM 416 O TRP A 28 5.050 -9.698 1.753 1.00 0.00 O
417
+ ATOM 417 H TRP A 28 5.112 -7.550 0.834 1.00 0.00 H
418
+ ATOM 418 HA TRP A 28 7.661 -8.079 1.124 1.00 0.00 H
419
+ ATOM 419 HB2 TRP A 28 7.993 -8.171 3.331 1.00 0.00 H
420
+ ATOM 420 HB3 TRP A 28 7.479 -6.729 3.031 1.00 0.00 H
421
+ ATOM 421 HD1 TRP A 28 4.449 -7.064 3.228 1.00 0.00 H
422
+ ATOM 422 HE1 TRP A 28 3.265 -7.672 5.243 1.00 0.00 H
423
+ ATOM 423 HE3 TRP A 28 8.184 -9.047 5.623 1.00 0.00 H
424
+ ATOM 424 HZ2 TRP A 28 3.909 -8.903 7.666 1.00 0.00 H
425
+ ATOM 425 HZ3 TRP A 28 7.803 -9.902 7.763 1.00 0.00 H
426
+ ATOM 426 HH2 TRP A 28 5.754 -9.855 8.784 1.00 0.00 H
427
+ ATOM 427 C CYS A 29 6.142 -12.269 2.597 1.00 0.00 C
428
+ ATOM 428 CA CYS A 29 6.722 -11.859 1.242 1.00 0.00 C
429
+ ATOM 429 CB CYS A 29 7.878 -12.766 0.818 1.00 0.00 C
430
+ ATOM 430 N CYS A 29 7.133 -10.468 1.324 1.00 0.00 N
431
+ ATOM 431 O CYS A 29 6.839 -12.857 3.422 1.00 0.00 O
432
+ ATOM 432 SG CYS A 29 7.805 -13.342 -0.919 1.00 0.00 S
433
+ ATOM 433 H CYS A 29 7.973 -10.334 1.199 1.00 0.00 H
434
+ ATOM 434 HA CYS A 29 6.042 -11.958 0.557 1.00 0.00 H
435
+ ATOM 435 HB2 CYS A 29 8.712 -12.290 0.953 1.00 0.00 H
436
+ ATOM 436 HB3 CYS A 29 7.896 -13.540 1.402 1.00 0.00 H
437
+ ATOM 437 C ASP A 30 4.551 -13.701 4.438 1.00 0.00 C
438
+ ATOM 438 CA ASP A 30 4.189 -12.273 4.024 1.00 0.00 C
439
+ ATOM 439 CB ASP A 30 2.670 -12.200 3.854 1.00 0.00 C
440
+ ATOM 440 CG ASP A 30 2.193 -11.879 2.436 1.00 0.00 C
441
+ ATOM 441 N ASP A 30 4.871 -11.945 2.783 1.00 0.00 N
442
+ ATOM 442 O ASP A 30 5.275 -14.393 3.724 1.00 0.00 O
443
+ ATOM 443 OD1 ASP A 30 2.743 -10.995 1.761 1.00 0.00 O
444
+ ATOM 444 OD2 ASP A 30 1.198 -12.588 2.021 1.00 0.00 O
445
+ ATOM 445 H ASP A 30 4.386 -11.535 2.203 1.00 0.00 H
446
+ ATOM 446 HA ASP A 30 4.467 -11.633 4.698 1.00 0.00 H
447
+ ATOM 447 HB2 ASP A 30 2.287 -13.049 4.125 1.00 0.00 H
448
+ ATOM 448 HB3 ASP A 30 2.322 -11.525 4.458 1.00 0.00 H
449
+ ATOM 449 C ALA A 31 3.556 -16.460 5.243 1.00 0.00 C
450
+ ATOM 450 CA ALA A 31 4.289 -15.431 6.107 1.00 0.00 C
451
+ ATOM 451 CB ALA A 31 3.870 -15.499 7.577 1.00 0.00 C
452
+ ATOM 452 N ALA A 31 4.031 -14.098 5.589 1.00 0.00 N
453
+ ATOM 453 O ALA A 31 2.923 -17.377 5.767 1.00 0.00 O
454
+ ATOM 454 H ALA A 31 3.526 -13.611 6.086 1.00 0.00 H
455
+ ATOM 455 HA ALA A 31 5.236 -15.635 6.066 1.00 0.00 H
456
+ ATOM 456 HB1 ALA A 31 4.042 -16.389 7.922 1.00 0.00 H
457
+ ATOM 457 HB2 ALA A 31 4.378 -14.850 8.089 1.00 0.00 H
458
+ ATOM 458 HB3 ALA A 31 2.924 -15.301 7.653 1.00 0.00 H
459
+ ATOM 459 C PHE A 32 3.354 -16.794 1.553 1.00 0.00 C
460
+ ATOM 460 CA PHE A 32 3.017 -17.173 2.996 1.00 0.00 C
461
+ ATOM 461 CB PHE A 32 1.508 -17.035 3.208 1.00 0.00 C
462
+ ATOM 462 CD1 PHE A 32 0.806 -19.275 4.078 1.00 0.00 C
463
+ ATOM 463 CD2 PHE A 32 -0.013 -18.598 1.977 1.00 0.00 C
464
+ ATOM 464 CE1 PHE A 32 0.091 -20.498 3.964 1.00 0.00 C
465
+ ATOM 465 CE2 PHE A 32 -0.726 -19.819 1.861 1.00 0.00 C
466
+ ATOM 466 CG PHE A 32 0.739 -18.351 3.084 1.00 0.00 C
467
+ ATOM 467 CZ PHE A 32 -0.660 -20.743 2.857 1.00 0.00 C
468
+ ATOM 468 N PHE A 32 3.663 -16.273 3.936 1.00 0.00 N
469
+ ATOM 469 O PHE A 32 2.535 -16.973 0.653 1.00 0.00 O
470
+ ATOM 470 H PHE A 32 4.105 -15.631 3.573 1.00 0.00 H
471
+ ATOM 471 HA PHE A 32 3.322 -18.082 3.146 1.00 0.00 H
472
+ ATOM 472 HB2 PHE A 32 1.347 -16.659 4.088 1.00 0.00 H
473
+ ATOM 473 HB3 PHE A 32 1.156 -16.404 2.561 1.00 0.00 H
474
+ ATOM 474 HD1 PHE A 32 1.321 -19.107 4.834 1.00 0.00 H
475
+ ATOM 475 HD2 PHE A 32 -0.060 -17.966 1.296 1.00 0.00 H
476
+ ATOM 476 HE1 PHE A 32 0.137 -21.130 4.645 1.00 0.00 H
477
+ ATOM 477 HE2 PHE A 32 -1.239 -19.988 1.104 1.00 0.00 H
478
+ ATOM 478 HZ PHE A 32 -1.129 -21.543 2.781 1.00 0.00 H
479
+ ATOM 479 C CYS A 33 4.763 -17.020 -0.914 1.00 0.00 C
480
+ ATOM 480 CA CYS A 33 5.016 -15.867 0.060 1.00 0.00 C
481
+ ATOM 481 CB CYS A 33 6.486 -15.444 0.074 1.00 0.00 C
482
+ ATOM 482 N CYS A 33 4.561 -16.273 1.378 1.00 0.00 N
483
+ ATOM 483 O CYS A 33 4.809 -16.834 -2.129 1.00 0.00 O
484
+ ATOM 484 SG CYS A 33 7.090 -14.707 -1.488 1.00 0.00 S
485
+ ATOM 485 H CYS A 33 5.131 -16.147 2.010 1.00 0.00 H
486
+ ATOM 486 HA CYS A 33 4.518 -15.086 -0.229 1.00 0.00 H
487
+ ATOM 487 HB2 CYS A 33 6.618 -14.804 0.791 1.00 0.00 H
488
+ ATOM 488 HB3 CYS A 33 7.030 -16.219 0.282 1.00 0.00 H
489
+ ATOM 489 C SER A 34 2.956 -19.183 -1.953 1.00 0.00 C
490
+ ATOM 490 CA SER A 34 4.241 -19.370 -1.144 1.00 0.00 C
491
+ ATOM 491 CB SER A 34 4.138 -20.618 -0.266 1.00 0.00 C
492
+ ATOM 492 N SER A 34 4.501 -18.186 -0.343 1.00 0.00 N
493
+ ATOM 493 O SER A 34 2.908 -19.516 -3.136 1.00 0.00 O
494
+ ATOM 494 OG SER A 34 4.786 -21.743 -0.858 1.00 0.00 O
495
+ ATOM 495 H SER A 34 4.469 -18.313 0.507 1.00 0.00 H
496
+ ATOM 496 HA SER A 34 4.985 -19.494 -1.754 1.00 0.00 H
497
+ ATOM 497 HB2 SER A 34 4.534 -20.436 0.600 1.00 0.00 H
498
+ ATOM 498 HB3 SER A 34 3.204 -20.828 -0.112 1.00 0.00 H
499
+ ATOM 499 HG SER A 34 4.712 -22.408 -0.351 1.00 0.00 H
500
+ ATOM 500 C SER A 35 0.316 -16.925 -1.868 1.00 0.00 C
501
+ ATOM 501 CA SER A 35 0.663 -18.413 -1.923 1.00 0.00 C
502
+ ATOM 502 CB SER A 35 -0.443 -19.241 -1.264 1.00 0.00 C
503
+ ATOM 503 N SER A 35 1.945 -18.650 -1.282 1.00 0.00 N
504
+ ATOM 504 O SER A 35 -0.100 -16.342 -2.869 1.00 0.00 O
505
+ ATOM 505 OG SER A 35 -1.461 -19.607 -2.192 1.00 0.00 O
506
+ ATOM 506 H SER A 35 1.981 -18.419 -0.455 1.00 0.00 H
507
+ ATOM 507 HA SER A 35 0.732 -18.688 -2.851 1.00 0.00 H
508
+ ATOM 508 HB2 SER A 35 -0.058 -20.042 -0.875 1.00 0.00 H
509
+ ATOM 509 HB3 SER A 35 -0.836 -18.733 -0.537 1.00 0.00 H
510
+ ATOM 510 HG SER A 35 -2.049 -20.060 -1.799 1.00 0.00 H
511
+ ATOM 511 C ARG A 36 1.464 -14.099 -0.760 1.00 0.00 C
512
+ ATOM 512 CA ARG A 36 0.214 -14.940 -0.490 1.00 0.00 C
513
+ ATOM 513 CB ARG A 36 -0.273 -14.672 0.935 1.00 0.00 C
514
+ ATOM 514 CD ARG A 36 -2.469 -14.937 2.146 1.00 0.00 C
515
+ ATOM 515 CG ARG A 36 -1.390 -15.643 1.325 1.00 0.00 C
516
+ ATOM 516 CZ ARG A 36 -3.898 -16.641 3.289 1.00 0.00 C
517
+ ATOM 517 N ARG A 36 0.502 -16.349 -0.689 1.00 0.00 N
518
+ ATOM 518 NE ARG A 36 -2.859 -15.780 3.299 1.00 0.00 N
519
+ ATOM 519 NH1 ARG A 36 -4.661 -16.783 2.184 1.00 0.00 N
520
+ ATOM 520 NH2 ARG A 36 -4.156 -17.345 4.375 1.00 0.00 N
521
+ ATOM 521 O ARG A 36 1.719 -13.706 -1.898 1.00 0.00 O
522
+ ATOM 522 H ARG A 36 0.795 -16.758 0.009 1.00 0.00 H
523
+ ATOM 523 HA ARG A 36 -0.488 -14.692 -1.112 1.00 0.00 H
524
+ ATOM 524 HB2 ARG A 36 0.468 -14.760 1.555 1.00 0.00 H
525
+ ATOM 525 HB3 ARG A 36 -0.594 -13.759 1.004 1.00 0.00 H
526
+ ATOM 526 HG2 ARG A 36 -1.785 -16.024 0.525 1.00 0.00 H
527
+ ATOM 527 HG3 ARG A 36 -1.019 -16.379 1.837 1.00 0.00 H
528
+ ATOM 528 HD2 ARG A 36 -2.139 -14.080 2.459 1.00 0.00 H
529
+ ATOM 529 HD3 ARG A 36 -3.243 -14.757 1.590 1.00 0.00 H
530
+ ATOM 530 HE ARG A 36 -2.394 -15.717 4.020 1.00 0.00 H
531
+ ATOM 531 HH11 ARG A 36 -4.486 -16.323 1.479 1.00 0.00 H
532
+ ATOM 532 HH12 ARG A 36 -5.321 -17.334 2.185 1.00 0.00 H
533
+ ATOM 533 HH21 ARG A 36 -3.665 -17.251 5.075 1.00 0.00 H
534
+ ATOM 534 HH22 ARG A 36 -4.815 -17.897 4.383 1.00 0.00 H
535
+ ATOM 535 C GLY A 37 3.140 -11.684 -0.399 1.00 0.00 C
536
+ ATOM 536 CA GLY A 37 3.430 -13.063 0.198 1.00 0.00 C
537
+ ATOM 537 N GLY A 37 2.212 -13.849 0.304 1.00 0.00 N
538
+ ATOM 538 O GLY A 37 2.099 -11.477 -1.021 1.00 0.00 O
539
+ ATOM 539 H GLY A 37 2.032 -14.126 1.098 1.00 0.00 H
540
+ ATOM 540 HA2 GLY A 37 3.831 -12.962 1.075 1.00 0.00 H
541
+ ATOM 541 HA3 GLY A 37 4.074 -13.531 -0.356 1.00 0.00 H
542
+ ATOM 542 C LYS A 38 2.677 -8.787 -0.108 1.00 0.00 C
543
+ ATOM 543 CA LYS A 38 3.940 -9.421 -0.697 1.00 0.00 C
544
+ ATOM 544 CB LYS A 38 3.974 -9.417 -2.226 1.00 0.00 C
545
+ ATOM 545 CD LYS A 38 5.154 -10.460 -4.195 1.00 0.00 C
546
+ ATOM 546 CE LYS A 38 6.668 -10.239 -4.226 1.00 0.00 C
547
+ ATOM 547 CG LYS A 38 4.661 -10.675 -2.763 1.00 0.00 C
548
+ ATOM 548 N LYS A 38 4.081 -10.774 -0.188 1.00 0.00 N
549
+ ATOM 549 NZ LYS A 38 7.100 -9.796 -5.570 1.00 0.00 N
550
+ ATOM 550 O LYS A 38 1.622 -8.798 -0.737 1.00 0.00 O
551
+ ATOM 551 H LYS A 38 4.808 -10.921 0.247 1.00 0.00 H
552
+ ATOM 552 HA LYS A 38 4.690 -8.874 -0.416 1.00 0.00 H
553
+ ATOM 553 HB2 LYS A 38 3.070 -9.365 -2.573 1.00 0.00 H
554
+ ATOM 554 HB3 LYS A 38 4.444 -8.629 -2.540 1.00 0.00 H
555
+ ATOM 555 HG2 LYS A 38 5.409 -10.908 -2.191 1.00 0.00 H
556
+ ATOM 556 HG3 LYS A 38 4.042 -11.421 -2.739 1.00 0.00 H
557
+ ATOM 557 HD2 LYS A 38 4.925 -11.230 -4.739 1.00 0.00 H
558
+ ATOM 558 HD3 LYS A 38 4.704 -9.694 -4.584 1.00 0.00 H
559
+ ATOM 559 HE2 LYS A 38 6.917 -9.574 -3.565 1.00 0.00 H
560
+ ATOM 560 HE3 LYS A 38 7.125 -11.061 -3.988 1.00 0.00 H
561
+ ATOM 561 HZ1 LYS A 38 7.888 -9.387 -5.509 1.00 0.00 H
562
+ ATOM 562 HZ2 LYS A 38 7.173 -10.502 -6.106 1.00 0.00 H
563
+ ATOM 563 HZ3 LYS A 38 6.499 -9.231 -5.904 1.00 0.00 H
564
+ ATOM 564 C VAL A 39 1.677 -6.130 1.405 1.00 0.00 C
565
+ ATOM 565 CA VAL A 39 1.715 -7.615 1.775 1.00 0.00 C
566
+ ATOM 566 CB VAL A 39 1.819 -7.852 3.284 1.00 0.00 C
567
+ ATOM 567 CG1 VAL A 39 0.471 -7.619 3.969 1.00 0.00 C
568
+ ATOM 568 CG2 VAL A 39 2.351 -9.254 3.582 1.00 0.00 C
569
+ ATOM 569 N VAL A 39 2.829 -8.251 1.095 1.00 0.00 N
570
+ ATOM 570 O VAL A 39 2.537 -5.359 1.828 1.00 0.00 O
571
+ ATOM 571 H VAL A 39 3.569 -8.246 1.533 1.00 0.00 H
572
+ ATOM 572 HA VAL A 39 0.875 -8.006 1.489 1.00 0.00 H
573
+ ATOM 573 HB VAL A 39 2.451 -7.211 3.645 1.00 0.00 H
574
+ ATOM 574 HG11 VAL A 39 0.561 -7.775 4.922 1.00 0.00 H
575
+ ATOM 575 HG12 VAL A 39 0.184 -6.705 3.817 1.00 0.00 H
576
+ ATOM 576 HG13 VAL A 39 -0.188 -8.229 3.603 1.00 0.00 H
577
+ ATOM 577 HG21 VAL A 39 2.408 -9.381 4.542 1.00 0.00 H
578
+ ATOM 578 HG22 VAL A 39 1.751 -9.915 3.204 1.00 0.00 H
579
+ ATOM 579 HG23 VAL A 39 3.232 -9.356 3.190 1.00 0.00 H
580
+ ATOM 580 C VAL A 40 -0.321 -3.636 1.223 1.00 0.00 C
581
+ ATOM 581 CA VAL A 40 0.511 -4.397 0.187 1.00 0.00 C
582
+ ATOM 582 CB VAL A 40 -0.099 -4.356 -1.216 1.00 0.00 C
583
+ ATOM 583 CG1 VAL A 40 -0.993 -3.126 -1.390 1.00 0.00 C
584
+ ATOM 584 CG2 VAL A 40 0.990 -4.398 -2.288 1.00 0.00 C
585
+ ATOM 585 N VAL A 40 0.672 -5.775 0.619 1.00 0.00 N
586
+ ATOM 586 O VAL A 40 -1.509 -3.906 1.388 1.00 0.00 O
587
+ ATOM 587 H VAL A 40 0.072 -6.317 0.325 1.00 0.00 H
588
+ ATOM 588 HA VAL A 40 1.373 -3.957 0.128 1.00 0.00 H
589
+ ATOM 589 HB VAL A 40 -0.653 -5.145 -1.323 1.00 0.00 H
590
+ ATOM 590 HG11 VAL A 40 -1.367 -3.122 -2.285 1.00 0.00 H
591
+ ATOM 591 HG12 VAL A 40 -1.712 -3.154 -0.739 1.00 0.00 H
592
+ ATOM 592 HG13 VAL A 40 -0.467 -2.322 -1.256 1.00 0.00 H
593
+ ATOM 593 HG21 VAL A 40 0.580 -4.371 -3.167 1.00 0.00 H
594
+ ATOM 594 HG22 VAL A 40 1.578 -3.634 -2.182 1.00 0.00 H
595
+ ATOM 595 HG23 VAL A 40 1.503 -5.216 -2.196 1.00 0.00 H
596
+ ATOM 596 C GLU A 41 -0.808 -0.578 2.307 1.00 0.00 C
597
+ ATOM 597 CA GLU A 41 -0.325 -1.900 2.905 1.00 0.00 C
598
+ ATOM 598 CB GLU A 41 0.598 -1.655 4.101 1.00 0.00 C
599
+ ATOM 599 CD GLU A 41 0.854 -0.290 6.207 1.00 0.00 C
600
+ ATOM 600 CG GLU A 41 -0.137 -0.910 5.218 1.00 0.00 C
601
+ ATOM 601 N GLU A 41 0.339 -2.701 1.892 1.00 0.00 N
602
+ ATOM 602 O GLU A 41 -0.509 0.492 2.834 1.00 0.00 O
603
+ ATOM 603 OE1 GLU A 41 2.061 -0.557 6.125 1.00 0.00 O
604
+ ATOM 604 OE2 GLU A 41 0.327 0.497 7.082 1.00 0.00 O
605
+ ATOM 605 H GLU A 41 1.170 -2.516 1.774 1.00 0.00 H
606
+ ATOM 606 HA GLU A 41 -1.098 -2.391 3.224 1.00 0.00 H
607
+ ATOM 607 HB2 GLU A 41 0.930 -2.502 4.437 1.00 0.00 H
608
+ ATOM 608 HB3 GLU A 41 1.370 -1.140 3.818 1.00 0.00 H
609
+ ATOM 609 HG2 GLU A 41 -0.695 -0.215 4.835 1.00 0.00 H
610
+ ATOM 610 HG3 GLU A 41 -0.727 -1.522 5.686 1.00 0.00 H
611
+ ATOM 611 C LEU A 42 -2.239 1.613 1.547 1.00 0.00 C
612
+ ATOM 612 CA LEU A 42 -2.073 0.477 0.535 1.00 0.00 C
613
+ ATOM 613 CB LEU A 42 -3.361 0.130 -0.214 1.00 0.00 C
614
+ ATOM 614 CD1 LEU A 42 -1.940 -0.006 -2.292 1.00 0.00 C
615
+ ATOM 615 CD2 LEU A 42 -4.426 -0.498 -2.412 1.00 0.00 C
616
+ ATOM 616 CG LEU A 42 -3.326 0.319 -1.732 1.00 0.00 C
617
+ ATOM 617 N LEU A 42 -1.547 -0.695 1.214 1.00 0.00 N
618
+ ATOM 618 O LEU A 42 -2.638 1.381 2.687 1.00 0.00 O
619
+ ATOM 619 H LEU A 42 -1.756 -1.445 0.849 1.00 0.00 H
620
+ ATOM 620 HA LEU A 42 -1.450 0.785 -0.142 1.00 0.00 H
621
+ ATOM 621 HB2 LEU A 42 -3.584 -0.795 -0.026 1.00 0.00 H
622
+ ATOM 622 HB3 LEU A 42 -4.080 0.674 0.145 1.00 0.00 H
623
+ ATOM 623 HG LEU A 42 -3.502 1.253 -1.927 1.00 0.00 H
624
+ ATOM 624 HD11 LEU A 42 -1.942 0.121 -3.254 1.00 0.00 H
625
+ ATOM 625 HD12 LEU A 42 -1.282 0.583 -1.890 1.00 0.00 H
626
+ ATOM 626 HD13 LEU A 42 -1.716 -0.928 -2.088 1.00 0.00 H
627
+ ATOM 627 HD21 LEU A 42 -4.384 -0.362 -3.372 1.00 0.00 H
628
+ ATOM 628 HD22 LEU A 42 -4.300 -1.439 -2.213 1.00 0.00 H
629
+ ATOM 629 HD23 LEU A 42 -5.292 -0.211 -2.083 1.00 0.00 H
630
+ ATOM 630 C GLY A 43 -1.569 5.247 1.206 1.00 0.00 C
631
+ ATOM 631 CA GLY A 43 -2.031 3.990 1.945 1.00 0.00 C
632
+ ATOM 632 N GLY A 43 -1.923 2.818 1.093 1.00 0.00 N
633
+ ATOM 633 O GLY A 43 -1.496 5.259 -0.022 1.00 0.00 O
634
+ ATOM 634 H GLY A 43 -1.644 2.978 0.295 1.00 0.00 H
635
+ ATOM 635 HA2 GLY A 43 -2.950 4.100 2.235 1.00 0.00 H
636
+ ATOM 636 HA3 GLY A 43 -1.495 3.864 2.744 1.00 0.00 H
637
+ ATOM 637 C CYS A 44 0.447 7.970 2.165 1.00 0.00 C
638
+ ATOM 638 CA CYS A 44 -0.816 7.537 1.420 1.00 0.00 C
639
+ ATOM 639 CB CYS A 44 -1.909 8.607 1.477 1.00 0.00 C
640
+ ATOM 640 N CYS A 44 -1.269 6.277 1.985 1.00 0.00 N
641
+ ATOM 641 O CYS A 44 0.799 7.388 3.189 1.00 0.00 O
642
+ ATOM 642 SG CYS A 44 -2.226 9.292 3.144 1.00 0.00 S
643
+ ATOM 643 H CYS A 44 -1.321 6.266 2.843 1.00 0.00 H
644
+ ATOM 644 HA CYS A 44 -0.610 7.418 0.480 1.00 0.00 H
645
+ ATOM 645 HB2 CYS A 44 -1.664 9.334 0.884 1.00 0.00 H
646
+ ATOM 646 HB3 CYS A 44 -2.734 8.228 1.135 1.00 0.00 H
647
+ ATOM 647 HG CYS A 44 -1.585 10.295 3.293 1.00 0.00 H
648
+ ATOM 648 C ALA A 45 2.735 10.783 1.487 1.00 0.00 C
649
+ ATOM 649 CA ALA A 45 2.313 9.509 2.220 1.00 0.00 C
650
+ ATOM 650 CB ALA A 45 3.398 8.430 2.189 1.00 0.00 C
651
+ ATOM 651 N ALA A 45 1.095 8.990 1.620 1.00 0.00 N
652
+ ATOM 652 O ALA A 45 2.198 11.100 0.427 1.00 0.00 O
653
+ ATOM 653 H ALA A 45 0.846 9.395 0.903 1.00 0.00 H
654
+ ATOM 654 HA ALA A 45 2.163 9.742 3.150 1.00 0.00 H
655
+ ATOM 655 HB1 ALA A 45 4.211 8.776 2.589 1.00 0.00 H
656
+ ATOM 656 HB2 ALA A 45 3.098 7.654 2.688 1.00 0.00 H
657
+ ATOM 657 HB3 ALA A 45 3.574 8.174 1.270 1.00 0.00 H
658
+ ATOM 658 C ALA A 46 5.457 12.409 0.683 1.00 0.00 C
659
+ ATOM 659 CA ALA A 46 4.196 12.710 1.495 1.00 0.00 C
660
+ ATOM 660 CB ALA A 46 4.447 13.735 2.602 1.00 0.00 C
661
+ ATOM 661 N ALA A 46 3.694 11.478 2.079 1.00 0.00 N
662
+ ATOM 662 O ALA A 46 5.962 13.274 -0.032 1.00 0.00 O
663
+ ATOM 663 H ALA A 46 4.068 11.253 2.820 1.00 0.00 H
664
+ ATOM 664 HA ALA A 46 3.541 13.091 0.889 1.00 0.00 H
665
+ ATOM 665 HB1 ALA A 46 4.782 14.557 2.212 1.00 0.00 H
666
+ ATOM 666 HB2 ALA A 46 3.617 13.915 3.071 1.00 0.00 H
667
+ ATOM 667 HB3 ALA A 46 5.101 13.384 3.226 1.00 0.00 H
668
+ ATOM 668 C THR A 47 7.462 9.301 0.455 1.00 0.00 C
669
+ ATOM 669 CA THR A 47 7.123 10.752 0.108 1.00 0.00 C
670
+ ATOM 670 CB THR A 47 8.249 11.735 0.440 1.00 0.00 C
671
+ ATOM 671 CG2 THR A 47 8.341 12.882 -0.569 1.00 0.00 C
672
+ ATOM 672 N THR A 47 5.931 11.180 0.820 1.00 0.00 N
673
+ ATOM 673 O THR A 47 6.636 8.585 1.018 1.00 0.00 O
674
+ ATOM 674 OG1 THR A 47 7.816 12.363 1.644 1.00 0.00 O
675
+ ATOM 675 H THR A 47 5.576 10.578 1.321 1.00 0.00 H
676
+ ATOM 676 HA THR A 47 6.983 10.764 -0.852 1.00 0.00 H
677
+ ATOM 677 HB THR A 47 9.095 11.261 0.467 1.00 0.00 H
678
+ ATOM 678 HG1 THR A 47 8.318 13.013 1.817 1.00 0.00 H
679
+ ATOM 679 HG21 THR A 47 9.065 13.476 -0.318 1.00 0.00 H
680
+ ATOM 680 HG22 THR A 47 8.510 12.522 -1.454 1.00 0.00 H
681
+ ATOM 681 HG23 THR A 47 7.506 13.376 -0.575 1.00 0.00 H
682
+ ATOM 682 C CYS A 48 10.435 7.640 1.177 1.00 0.00 C
683
+ ATOM 683 CA CYS A 48 9.135 7.558 0.372 1.00 0.00 C
684
+ ATOM 684 CB CYS A 48 9.314 6.756 -0.917 1.00 0.00 C
685
+ ATOM 685 N CYS A 48 8.679 8.911 0.106 1.00 0.00 N
686
+ ATOM 686 O CYS A 48 11.460 8.088 0.664 1.00 0.00 O
687
+ ATOM 687 SG CYS A 48 9.002 7.695 -2.456 1.00 0.00 S
688
+ ATOM 688 H CYS A 48 9.256 9.415 -0.286 1.00 0.00 H
689
+ ATOM 689 HA CYS A 48 8.464 7.084 0.887 1.00 0.00 H
690
+ ATOM 690 HB2 CYS A 48 10.219 6.408 -0.943 1.00 0.00 H
691
+ ATOM 691 HB3 CYS A 48 8.717 5.992 -0.893 1.00 0.00 H
692
+ ATOM 692 C PRO A 49 12.486 6.093 2.975 1.00 0.00 C
693
+ ATOM 693 CA PRO A 49 11.505 7.208 3.338 1.00 0.00 C
694
+ ATOM 694 CB PRO A 49 10.934 7.066 4.740 1.00 0.00 C
695
+ ATOM 695 CD PRO A 49 9.152 6.654 3.099 1.00 0.00 C
696
+ ATOM 696 CG PRO A 49 9.531 6.508 4.563 1.00 0.00 C
697
+ ATOM 697 N PRO A 49 10.348 7.190 2.458 1.00 0.00 N
698
+ ATOM 698 O PRO A 49 12.474 5.590 1.853 1.00 0.00 O
699
+ ATOM 699 HA PRO A 49 12.023 8.024 3.260 1.00 0.00 H
700
+ ATOM 700 HB2 PRO A 49 11.479 6.472 5.279 1.00 0.00 H
701
+ ATOM 701 HB3 PRO A 49 10.913 7.922 5.195 1.00 0.00 H
702
+ ATOM 702 HG2 PRO A 49 9.500 5.576 4.831 1.00 0.00 H
703
+ ATOM 703 HG3 PRO A 49 8.902 6.986 5.126 1.00 0.00 H
704
+ ATOM 704 HD2 PRO A 49 8.898 5.801 2.714 1.00 0.00 H
705
+ ATOM 705 HD3 PRO A 49 8.396 7.251 2.989 1.00 0.00 H
706
+ ATOM 706 C SER A 50 13.611 3.393 3.334 1.00 0.00 C
707
+ ATOM 707 CA SER A 50 14.303 4.693 3.745 1.00 0.00 C
708
+ ATOM 708 CB SER A 50 15.139 4.474 5.007 1.00 0.00 C
709
+ ATOM 709 N SER A 50 13.316 5.740 3.947 1.00 0.00 N
710
+ ATOM 710 O SER A 50 13.696 2.978 2.178 1.00 0.00 O
711
+ ATOM 711 OG SER A 50 16.530 4.373 4.715 1.00 0.00 O
712
+ ATOM 712 H SER A 50 13.323 6.095 4.730 1.00 0.00 H
713
+ ATOM 713 HA SER A 50 14.901 4.972 3.034 1.00 0.00 H
714
+ ATOM 714 HB2 SER A 50 14.991 5.208 5.623 1.00 0.00 H
715
+ ATOM 715 HB3 SER A 50 14.843 3.665 5.453 1.00 0.00 H
716
+ ATOM 716 HG SER A 50 16.958 4.255 5.428 1.00 0.00 H
717
+ ATOM 717 C LYS A 51 13.083 0.369 4.552 1.00 0.00 C
718
+ ATOM 718 CA LYS A 51 12.232 1.540 4.055 1.00 0.00 C
719
+ ATOM 719 CB LYS A 51 11.839 1.432 2.580 1.00 0.00 C
720
+ ATOM 720 CD LYS A 51 10.068 2.241 0.977 1.00 0.00 C
721
+ ATOM 721 CE LYS A 51 10.642 2.766 -0.339 1.00 0.00 C
722
+ ATOM 722 CG LYS A 51 10.968 2.616 2.156 1.00 0.00 C
723
+ ATOM 723 N LYS A 51 12.941 2.785 4.302 1.00 0.00 N
724
+ ATOM 724 NZ LYS A 51 10.234 4.172 -0.559 1.00 0.00 N
725
+ ATOM 725 O LYS A 51 14.275 0.528 4.809 1.00 0.00 O
726
+ ATOM 726 H LYS A 51 12.884 3.077 5.109 1.00 0.00 H
727
+ ATOM 727 HA LYS A 51 11.399 1.518 4.552 1.00 0.00 H
728
+ ATOM 728 HB2 LYS A 51 12.638 1.401 2.031 1.00 0.00 H
729
+ ATOM 729 HB3 LYS A 51 11.359 0.603 2.430 1.00 0.00 H
730
+ ATOM 730 HG2 LYS A 51 10.423 2.905 2.904 1.00 0.00 H
731
+ ATOM 731 HG3 LYS A 51 11.533 3.366 1.910 1.00 0.00 H
732
+ ATOM 732 HD2 LYS A 51 9.974 1.277 0.931 1.00 0.00 H
733
+ ATOM 733 HD3 LYS A 51 9.180 2.606 1.115 1.00 0.00 H
734
+ ATOM 734 HE2 LYS A 51 11.610 2.703 -0.324 1.00 0.00 H
735
+ ATOM 735 HE3 LYS A 51 10.333 2.215 -1.075 1.00 0.00 H
736
+ ATOM 736 HZ1 LYS A 51 10.818 4.569 -1.101 1.00 0.00 H
737
+ ATOM 737 HZ2 LYS A 51 9.425 4.192 -0.929 1.00 0.00 H
738
+ ATOM 738 HZ3 LYS A 51 10.214 4.601 0.221 1.00 0.00 H
739
+ ATOM 739 C LYS A 52 13.579 -2.796 3.926 1.00 0.00 C
740
+ ATOM 740 CA LYS A 52 13.117 -1.978 5.135 1.00 0.00 C
741
+ ATOM 741 CB LYS A 52 12.227 -2.760 6.103 1.00 0.00 C
742
+ ATOM 742 CD LYS A 52 11.404 -2.516 8.473 1.00 0.00 C
743
+ ATOM 743 CE LYS A 52 10.720 -1.147 8.520 1.00 0.00 C
744
+ ATOM 744 CG LYS A 52 12.626 -2.488 7.556 1.00 0.00 C
745
+ ATOM 745 N LYS A 52 12.436 -0.781 4.672 1.00 0.00 N
746
+ ATOM 746 NZ LYS A 52 10.310 -0.819 9.903 1.00 0.00 N
747
+ ATOM 747 O LYS A 52 13.203 -2.501 2.793 1.00 0.00 O
748
+ ATOM 748 H LYS A 52 11.602 -0.889 4.490 1.00 0.00 H
749
+ ATOM 749 HA LYS A 52 13.911 -1.743 5.640 1.00 0.00 H
750
+ ATOM 750 HB2 LYS A 52 11.299 -2.512 5.967 1.00 0.00 H
751
+ ATOM 751 HB3 LYS A 52 12.297 -3.709 5.917 1.00 0.00 H
752
+ ATOM 752 HG2 LYS A 52 13.269 -3.153 7.848 1.00 0.00 H
753
+ ATOM 753 HG3 LYS A 52 13.062 -1.624 7.619 1.00 0.00 H
754
+ ATOM 754 HD2 LYS A 52 10.775 -3.185 8.159 1.00 0.00 H
755
+ ATOM 755 HD3 LYS A 52 11.673 -2.778 9.368 1.00 0.00 H
756
+ ATOM 756 HE2 LYS A 52 11.325 -0.466 8.186 1.00 0.00 H
757
+ ATOM 757 HE3 LYS A 52 9.944 -1.147 7.938 1.00 0.00 H
758
+ ATOM 758 HZ1 LYS A 52 9.492 -0.468 9.895 1.00 0.00 H
759
+ ATOM 759 HZ2 LYS A 52 10.310 -1.560 10.396 1.00 0.00 H
760
+ ATOM 760 HZ3 LYS A 52 10.881 -0.231 10.251 1.00 0.00 H
761
+ ATOM 761 C PRO A 53 13.844 -5.655 2.665 1.00 0.00 C
762
+ ATOM 762 CA PRO A 53 14.925 -4.695 3.168 1.00 0.00 C
763
+ ATOM 763 CB PRO A 53 16.110 -5.412 3.794 1.00 0.00 C
764
+ ATOM 764 CD PRO A 53 14.874 -4.212 5.547 1.00 0.00 C
765
+ ATOM 765 CG PRO A 53 15.930 -5.276 5.298 1.00 0.00 C
766
+ ATOM 766 N PRO A 53 14.407 -3.834 4.217 1.00 0.00 N
767
+ ATOM 767 O PRO A 53 13.824 -6.011 1.488 1.00 0.00 O
768
+ ATOM 768 HA PRO A 53 15.202 -4.200 2.381 1.00 0.00 H
769
+ ATOM 769 HB2 PRO A 53 16.132 -6.345 3.529 1.00 0.00 H
770
+ ATOM 770 HB3 PRO A 53 16.948 -5.016 3.507 1.00 0.00 H
771
+ ATOM 771 HG2 PRO A 53 15.657 -6.122 5.685 1.00 0.00 H
772
+ ATOM 772 HG3 PRO A 53 16.768 -5.028 5.719 1.00 0.00 H
773
+ ATOM 773 HD2 PRO A 53 14.148 -4.556 6.090 1.00 0.00 H
774
+ ATOM 774 HD3 PRO A 53 15.246 -3.451 6.019 1.00 0.00 H
775
+ ATOM 775 C TYR A 54 10.555 -6.216 3.163 1.00 0.00 C
776
+ ATOM 776 CA TYR A 54 11.890 -6.957 3.246 1.00 0.00 C
777
+ ATOM 777 CB TYR A 54 11.825 -7.973 4.388 1.00 0.00 C
778
+ ATOM 778 CD1 TYR A 54 11.308 -9.822 2.753 1.00 0.00 C
779
+ ATOM 779 CD2 TYR A 54 10.344 -9.940 4.937 1.00 0.00 C
780
+ ATOM 780 CE1 TYR A 54 10.660 -11.057 2.400 1.00 0.00 C
781
+ ATOM 781 CE2 TYR A 54 9.695 -11.175 4.585 1.00 0.00 C
782
+ ATOM 782 CG TYR A 54 11.137 -9.287 4.014 1.00 0.00 C
783
+ ATOM 783 CZ TYR A 54 9.886 -11.674 3.334 1.00 0.00 C
784
+ ATOM 784 N TYR A 54 12.971 -6.046 3.582 1.00 0.00 N
785
+ ATOM 785 O TYR A 54 9.750 -6.478 2.271 1.00 0.00 O
786
+ ATOM 786 OH TYR A 54 9.273 -12.841 3.001 1.00 0.00 O
787
+ ATOM 787 H TYR A 54 12.987 -5.795 4.404 1.00 0.00 H
788
+ ATOM 788 HA TYR A 54 12.050 -7.374 2.385 1.00 0.00 H
789
+ ATOM 789 HB2 TYR A 54 12.727 -8.165 4.689 1.00 0.00 H
790
+ ATOM 790 HB3 TYR A 54 11.355 -7.574 5.137 1.00 0.00 H
791
+ ATOM 791 HD1 TYR A 54 11.843 -9.384 2.131 1.00 0.00 H
792
+ ATOM 792 HD2 TYR A 54 10.229 -9.581 5.787 1.00 0.00 H
793
+ ATOM 793 HE1 TYR A 54 10.768 -11.425 1.553 1.00 0.00 H
794
+ ATOM 794 HE2 TYR A 54 9.157 -11.622 5.198 1.00 0.00 H
795
+ ATOM 795 HH TYR A 54 8.541 -12.900 3.409 1.00 0.00 H
796
+ ATOM 796 C GLU A 55 9.378 -3.124 3.586 1.00 0.00 C
797
+ ATOM 797 CA GLU A 55 9.134 -4.526 4.151 1.00 0.00 C
798
+ ATOM 798 CB GLU A 55 8.581 -4.455 5.576 1.00 0.00 C
799
+ ATOM 799 CD GLU A 55 6.167 -4.860 4.969 1.00 0.00 C
800
+ ATOM 800 CG GLU A 55 7.378 -5.384 5.744 1.00 0.00 C
801
+ ATOM 801 N GLU A 55 10.358 -5.306 4.107 1.00 0.00 N
802
+ ATOM 802 O GLU A 55 9.901 -2.255 4.281 1.00 0.00 O
803
+ ATOM 803 OE1 GLU A 55 5.156 -4.485 5.580 1.00 0.00 O
804
+ ATOM 804 OE2 GLU A 55 6.302 -4.849 3.686 1.00 0.00 O
805
+ ATOM 805 H GLU A 55 10.922 -5.126 4.731 1.00 0.00 H
806
+ ATOM 806 HA GLU A 55 8.469 -4.967 3.599 1.00 0.00 H
807
+ ATOM 807 HB2 GLU A 55 9.274 -4.701 6.208 1.00 0.00 H
808
+ ATOM 808 HB3 GLU A 55 8.321 -3.543 5.781 1.00 0.00 H
809
+ ATOM 809 HG2 GLU A 55 7.606 -6.273 5.431 1.00 0.00 H
810
+ ATOM 810 HG3 GLU A 55 7.155 -5.463 6.685 1.00 0.00 H
811
+ ATOM 811 C GLU A 56 7.795 -1.105 1.249 1.00 0.00 C
812
+ ATOM 812 CA GLU A 56 9.155 -1.669 1.668 1.00 0.00 C
813
+ ATOM 813 CB GLU A 56 10.091 -1.795 0.465 1.00 0.00 C
814
+ ATOM 814 CD GLU A 56 12.557 -2.209 0.139 1.00 0.00 C
815
+ ATOM 815 CG GLU A 56 11.504 -1.331 0.819 1.00 0.00 C
816
+ ATOM 816 N GLU A 56 8.985 -2.949 2.333 1.00 0.00 N
817
+ ATOM 817 O GLU A 56 6.879 -1.859 0.925 1.00 0.00 O
818
+ ATOM 818 OE1 GLU A 56 12.411 -3.440 0.108 1.00 0.00 O
819
+ ATOM 819 OE2 GLU A 56 13.554 -1.569 -0.371 1.00 0.00 O
820
+ ATOM 820 H GLU A 56 8.618 -3.559 1.851 1.00 0.00 H
821
+ ATOM 821 HA GLU A 56 9.564 -1.051 2.294 1.00 0.00 H
822
+ ATOM 822 HB2 GLU A 56 10.115 -2.717 0.165 1.00 0.00 H
823
+ ATOM 823 HB3 GLU A 56 9.748 -1.266 -0.272 1.00 0.00 H
824
+ ATOM 824 HG2 GLU A 56 11.623 -0.408 0.546 1.00 0.00 H
825
+ ATOM 825 HG3 GLU A 56 11.626 -1.360 1.781 1.00 0.00 H
826
+ ATOM 826 C VAL A 57 6.723 1.742 -0.352 1.00 0.00 C
827
+ ATOM 827 CA VAL A 57 6.475 0.890 0.893 1.00 0.00 C
828
+ ATOM 828 CB VAL A 57 5.941 1.702 2.076 1.00 0.00 C
829
+ ATOM 829 CG1 VAL A 57 4.898 0.906 2.861 1.00 0.00 C
830
+ ATOM 830 CG2 VAL A 57 7.082 2.157 2.988 1.00 0.00 C
831
+ ATOM 831 N VAL A 57 7.707 0.217 1.268 1.00 0.00 N
832
+ ATOM 832 O VAL A 57 7.667 2.529 -0.393 1.00 0.00 O
833
+ ATOM 833 H VAL A 57 8.349 0.742 1.495 1.00 0.00 H
834
+ ATOM 834 HA VAL A 57 5.789 0.242 0.668 1.00 0.00 H
835
+ ATOM 835 HB VAL A 57 5.507 2.494 1.722 1.00 0.00 H
836
+ ATOM 836 HG11 VAL A 57 4.575 1.440 3.604 1.00 0.00 H
837
+ ATOM 837 HG12 VAL A 57 4.156 0.681 2.278 1.00 0.00 H
838
+ ATOM 838 HG13 VAL A 57 5.300 0.091 3.200 1.00 0.00 H
839
+ ATOM 839 HG21 VAL A 57 6.720 2.668 3.729 1.00 0.00 H
840
+ ATOM 840 HG22 VAL A 57 7.552 1.381 3.331 1.00 0.00 H
841
+ ATOM 841 HG23 VAL A 57 7.698 2.711 2.484 1.00 0.00 H
842
+ ATOM 842 C THR A 58 5.737 3.790 -2.339 1.00 0.00 C
843
+ ATOM 843 CA THR A 58 5.970 2.299 -2.583 1.00 0.00 C
844
+ ATOM 844 CB THR A 58 4.993 1.687 -3.589 1.00 0.00 C
845
+ ATOM 845 CG2 THR A 58 5.415 1.932 -5.038 1.00 0.00 C
846
+ ATOM 846 N THR A 58 5.858 1.556 -1.339 1.00 0.00 N
847
+ ATOM 847 O THR A 58 5.644 4.228 -1.192 1.00 0.00 O
848
+ ATOM 848 OG1 THR A 58 5.150 0.281 -3.416 1.00 0.00 O
849
+ ATOM 849 H THR A 58 5.199 1.004 -1.308 1.00 0.00 H
850
+ ATOM 850 HA THR A 58 6.865 2.233 -2.952 1.00 0.00 H
851
+ ATOM 851 HB THR A 58 4.108 2.055 -3.443 1.00 0.00 H
852
+ ATOM 852 HG1 THR A 58 4.564 -0.003 -2.886 1.00 0.00 H
853
+ ATOM 853 HG21 THR A 58 4.768 1.527 -5.637 1.00 0.00 H
854
+ ATOM 854 HG22 THR A 58 5.457 2.886 -5.206 1.00 0.00 H
855
+ ATOM 855 HG23 THR A 58 6.288 1.538 -5.192 1.00 0.00 H
856
+ ATOM 856 C CYS A 59 4.924 6.450 -4.712 1.00 0.00 C
857
+ ATOM 857 CA CYS A 59 5.427 5.964 -3.352 1.00 0.00 C
858
+ ATOM 858 CB CYS A 59 6.690 6.708 -2.911 1.00 0.00 C
859
+ ATOM 859 N CYS A 59 5.648 4.530 -3.433 1.00 0.00 N
860
+ ATOM 860 O CYS A 59 5.241 5.859 -5.744 1.00 0.00 O
861
+ ATOM 861 SG CYS A 59 8.260 5.931 -3.439 1.00 0.00 S
862
+ ATOM 862 H CYS A 59 5.713 4.221 -4.233 1.00 0.00 H
863
+ ATOM 863 HA CYS A 59 4.759 6.153 -2.675 1.00 0.00 H
864
+ ATOM 864 HB2 CYS A 59 6.657 7.612 -3.261 1.00 0.00 H
865
+ ATOM 865 HB3 CYS A 59 6.688 6.779 -1.944 1.00 0.00 H
866
+ ATOM 866 C CYS A 60 3.097 9.506 -5.571 1.00 0.00 C
867
+ ATOM 867 CA CYS A 60 3.595 8.096 -5.888 1.00 0.00 C
868
+ ATOM 868 CB CYS A 60 2.489 7.217 -6.476 1.00 0.00 C
869
+ ATOM 869 N CYS A 60 4.147 7.523 -4.671 1.00 0.00 N
870
+ ATOM 870 O CYS A 60 2.841 9.833 -4.414 1.00 0.00 O
871
+ ATOM 871 SG CYS A 60 2.502 7.089 -8.302 1.00 0.00 S
872
+ ATOM 872 H CYS A 60 3.927 7.934 -3.948 1.00 0.00 H
873
+ ATOM 873 HA CYS A 60 4.285 8.144 -6.569 1.00 0.00 H
874
+ ATOM 874 HB2 CYS A 60 2.567 6.326 -6.101 1.00 0.00 H
875
+ ATOM 875 HB3 CYS A 60 1.630 7.568 -6.195 1.00 0.00 H
876
+ ATOM 876 HG CYS A 60 1.374 7.098 -8.712 1.00 0.00 H
877
+ ATOM 877 C SER A 61 1.191 11.866 -7.222 1.00 0.00 C
878
+ ATOM 878 CA SER A 61 2.509 11.674 -6.470 1.00 0.00 C
879
+ ATOM 879 CB SER A 61 3.558 12.670 -6.973 1.00 0.00 C
880
+ ATOM 880 N SER A 61 2.974 10.305 -6.621 1.00 0.00 N
881
+ ATOM 881 O SER A 61 1.008 12.863 -7.919 1.00 0.00 O
882
+ ATOM 882 OG SER A 61 3.266 14.003 -6.563 1.00 0.00 O
883
+ ATOM 883 H SER A 61 3.155 10.074 -7.429 1.00 0.00 H
884
+ ATOM 884 HA SER A 61 2.363 11.843 -5.526 1.00 0.00 H
885
+ ATOM 885 HB2 SER A 61 4.432 12.414 -6.640 1.00 0.00 H
886
+ ATOM 886 HB3 SER A 61 3.601 12.632 -7.941 1.00 0.00 H
887
+ ATOM 887 HG SER A 61 2.457 14.171 -6.712 1.00 0.00 H
888
+ ATOM 888 C THR A 62 -2.003 10.080 -6.954 1.00 0.00 C
889
+ ATOM 889 CA THR A 62 -0.991 10.943 -7.709 1.00 0.00 C
890
+ ATOM 890 CB THR A 62 -0.801 10.522 -9.168 1.00 0.00 C
891
+ ATOM 891 CG2 THR A 62 -1.812 11.185 -10.106 1.00 0.00 C
892
+ ATOM 892 N THR A 62 0.305 10.895 -7.055 1.00 0.00 N
893
+ ATOM 893 O THR A 62 -1.623 9.154 -6.239 1.00 0.00 O
894
+ ATOM 894 OG1 THR A 62 0.447 11.101 -9.537 1.00 0.00 O
895
+ ATOM 895 H THR A 62 0.435 10.199 -6.567 1.00 0.00 H
896
+ ATOM 896 HA THR A 62 -1.356 11.842 -7.699 1.00 0.00 H
897
+ ATOM 897 HB THR A 62 -0.880 9.558 -9.238 1.00 0.00 H
898
+ ATOM 898 HG1 THR A 62 0.470 11.902 -9.285 1.00 0.00 H
899
+ ATOM 899 HG21 THR A 62 -1.652 10.889 -11.016 1.00 0.00 H
900
+ ATOM 900 HG22 THR A 62 -2.711 10.938 -9.839 1.00 0.00 H
901
+ ATOM 901 HG23 THR A 62 -1.714 12.149 -10.059 1.00 0.00 H
902
+ ATOM 902 C ASP A 63 -4.456 8.288 -7.105 1.00 0.00 C
903
+ ATOM 903 CA ASP A 63 -4.341 9.680 -6.482 1.00 0.00 C
904
+ ATOM 904 CB ASP A 63 -5.686 10.389 -6.659 1.00 0.00 C
905
+ ATOM 905 CG ASP A 63 -6.876 9.694 -5.998 1.00 0.00 C
906
+ ATOM 906 N ASP A 63 -3.273 10.414 -7.137 1.00 0.00 N
907
+ ATOM 907 O ASP A 63 -4.191 8.113 -8.294 1.00 0.00 O
908
+ ATOM 908 OD1 ASP A 63 -8.040 9.969 -6.327 1.00 0.00 O
909
+ ATOM 909 OD2 ASP A 63 -6.567 8.825 -5.096 1.00 0.00 O
910
+ ATOM 910 H ASP A 63 -3.536 11.063 -7.637 1.00 0.00 H
911
+ ATOM 911 HA ASP A 63 -4.129 9.623 -5.537 1.00 0.00 H
912
+ ATOM 912 HB2 ASP A 63 -5.613 11.287 -6.299 1.00 0.00 H
913
+ ATOM 913 HB3 ASP A 63 -5.867 10.478 -7.608 1.00 0.00 H
914
+ ATOM 914 C LYS A 64 -3.846 5.609 -7.670 1.00 0.00 C
915
+ ATOM 915 CA LYS A 64 -5.002 5.961 -6.732 1.00 0.00 C
916
+ ATOM 916 CB LYS A 64 -6.384 5.754 -7.354 1.00 0.00 C
917
+ ATOM 917 CD LYS A 64 -7.782 6.335 -5.337 1.00 0.00 C
918
+ ATOM 918 CE LYS A 64 -9.141 6.922 -4.948 1.00 0.00 C
919
+ ATOM 919 CG LYS A 64 -7.403 6.732 -6.765 1.00 0.00 C
920
+ ATOM 920 N LYS A 64 -4.849 7.332 -6.276 1.00 0.00 N
921
+ ATOM 921 NZ LYS A 64 -10.234 6.194 -5.628 1.00 0.00 N
922
+ ATOM 922 O LYS A 64 -4.060 5.032 -8.736 1.00 0.00 O
923
+ ATOM 923 H LYS A 64 -5.032 7.457 -5.445 1.00 0.00 H
924
+ ATOM 924 HA LYS A 64 -4.957 5.347 -5.982 1.00 0.00 H
925
+ ATOM 925 HB2 LYS A 64 -6.331 5.876 -8.315 1.00 0.00 H
926
+ ATOM 926 HB3 LYS A 64 -6.679 4.843 -7.200 1.00 0.00 H
927
+ ATOM 927 HG2 LYS A 64 -7.034 7.629 -6.768 1.00 0.00 H
928
+ ATOM 928 HG3 LYS A 64 -8.198 6.750 -7.321 1.00 0.00 H
929
+ ATOM 929 HD2 LYS A 64 -7.810 5.368 -5.263 1.00 0.00 H
930
+ ATOM 930 HD3 LYS A 64 -7.102 6.647 -4.719 1.00 0.00 H
931
+ ATOM 931 HE2 LYS A 64 -9.259 6.869 -3.987 1.00 0.00 H
932
+ ATOM 932 HE3 LYS A 64 -9.174 7.862 -5.186 1.00 0.00 H
933
+ ATOM 933 HZ1 LYS A 64 -11.008 6.379 -5.229 1.00 0.00 H
934
+ ATOM 934 HZ2 LYS A 64 -10.273 6.445 -6.481 1.00 0.00 H
935
+ ATOM 935 HZ3 LYS A 64 -10.080 5.318 -5.584 1.00 0.00 H
936
+ ATOM 936 C CYS A 65 -0.674 4.574 -7.348 1.00 0.00 C
937
+ ATOM 937 CA CYS A 65 -1.456 5.699 -8.030 1.00 0.00 C
938
+ ATOM 938 CB CYS A 65 -0.602 6.955 -8.215 1.00 0.00 C
939
+ ATOM 939 N CYS A 65 -2.645 5.970 -7.240 1.00 0.00 N
940
+ ATOM 940 O CYS A 65 0.363 4.141 -7.849 1.00 0.00 O
941
+ ATOM 941 SG CYS A 65 1.169 6.637 -8.547 1.00 0.00 S
942
+ ATOM 942 H CYS A 65 -2.498 6.372 -6.494 1.00 0.00 H
943
+ ATOM 943 HA CYS A 65 -1.714 5.419 -8.922 1.00 0.00 H
944
+ ATOM 944 HB2 CYS A 65 -0.967 7.474 -8.948 1.00 0.00 H
945
+ ATOM 945 HB3 CYS A 65 -0.675 7.501 -7.417 1.00 0.00 H
946
+ ATOM 946 HG CYS A 65 1.800 7.637 -8.345 1.00 0.00 H
947
+ ATOM 947 C ASN A 66 -1.624 2.040 -5.046 1.00 0.00 C
948
+ ATOM 948 CA ASN A 66 -0.566 3.064 -5.461 1.00 0.00 C
949
+ ATOM 949 CB ASN A 66 0.091 3.605 -4.190 1.00 0.00 C
950
+ ATOM 950 CG ASN A 66 1.588 3.847 -4.408 1.00 0.00 C
951
+ ATOM 951 N ASN A 66 -1.201 4.131 -6.216 1.00 0.00 N
952
+ ATOM 952 ND2 ASN A 66 2.375 3.046 -3.694 1.00 0.00 N
953
+ ATOM 953 O ASN A 66 -1.841 1.811 -3.858 1.00 0.00 O
954
+ ATOM 954 OD1 ASN A 66 1.998 4.704 -5.171 1.00 0.00 O
955
+ ATOM 955 H ASN A 66 -1.926 4.435 -5.868 1.00 0.00 H
956
+ ATOM 956 HA ASN A 66 0.111 2.659 -6.025 1.00 0.00 H
957
+ ATOM 957 HB2 ASN A 66 -0.339 4.433 -3.927 1.00 0.00 H
958
+ ATOM 958 HB3 ASN A 66 -0.036 2.976 -3.463 1.00 0.00 H
959
+ ATOM 959 HD21 ASN A 66 3.230 3.116 -3.756 1.00 0.00 H
960
+ ATOM 960 HD22 ASN A 66 2.029 2.458 -3.171 1.00 0.00 H
961
+ ATOM 961 C PRO A 67 -2.686 -0.892 -5.391 1.00 0.00 C
962
+ ATOM 962 CA PRO A 67 -3.301 0.438 -5.832 1.00 0.00 C
963
+ ATOM 963 CB PRO A 67 -4.067 0.332 -7.140 1.00 0.00 C
964
+ ATOM 964 CD PRO A 67 -2.041 1.678 -7.497 1.00 0.00 C
965
+ ATOM 965 CG PRO A 67 -3.156 0.924 -8.205 1.00 0.00 C
966
+ ATOM 966 N PRO A 67 -2.271 1.433 -6.077 1.00 0.00 N
967
+ ATOM 967 O PRO A 67 -1.468 -1.000 -5.252 1.00 0.00 O
968
+ ATOM 968 HA PRO A 67 -3.895 0.687 -5.106 1.00 0.00 H
969
+ ATOM 969 HB2 PRO A 67 -4.284 -0.592 -7.342 1.00 0.00 H
970
+ ATOM 970 HB3 PRO A 67 -4.906 0.816 -7.092 1.00 0.00 H
971
+ ATOM 971 HG2 PRO A 67 -2.789 0.223 -8.766 1.00 0.00 H
972
+ ATOM 972 HG3 PRO A 67 -3.654 1.520 -8.785 1.00 0.00 H
973
+ ATOM 973 HD2 PRO A 67 -1.168 1.357 -7.773 1.00 0.00 H
974
+ ATOM 974 HD3 PRO A 67 -2.072 2.626 -7.701 1.00 0.00 H
975
+ ATOM 975 C HIS A 68 -2.728 -4.019 -5.991 1.00 0.00 C
976
+ ATOM 976 CA HIS A 68 -3.110 -3.189 -4.764 1.00 0.00 C
977
+ ATOM 977 CB HIS A 68 -4.171 -3.868 -3.896 1.00 0.00 C
978
+ ATOM 978 CD2 HIS A 68 -4.076 -6.473 -3.717 1.00 0.00 C
979
+ ATOM 979 CE1 HIS A 68 -2.704 -6.619 -2.018 1.00 0.00 C
980
+ ATOM 980 CG HIS A 68 -3.745 -5.205 -3.338 1.00 0.00 C
981
+ ATOM 981 N HIS A 68 -3.554 -1.870 -5.186 1.00 0.00 N
982
+ ATOM 982 ND1 HIS A 68 -2.880 -5.330 -2.266 1.00 0.00 N
983
+ ATOM 983 NE2 HIS A 68 -3.445 -7.326 -2.918 1.00 0.00 N
984
+ ATOM 984 O HIS A 68 -3.289 -3.833 -7.070 1.00 0.00 O
985
+ ATOM 985 H HIS A 68 -4.405 -1.792 -5.285 1.00 0.00 H
986
+ ATOM 986 HA HIS A 68 -2.319 -3.105 -4.210 1.00 0.00 H
987
+ ATOM 987 HB2 HIS A 68 -4.399 -3.279 -3.160 1.00 0.00 H
988
+ ATOM 988 HB3 HIS A 68 -4.977 -3.990 -4.422 1.00 0.00 H
989
+ ATOM 989 HD1 HIS A 68 -2.518 -4.681 -1.834 1.00 0.00 H
990
+ ATOM 990 HD2 HIS A 68 -4.646 -6.701 -4.415 1.00 0.00 H
991
+ ATOM 991 HE1 HIS A 68 -2.169 -6.979 -1.348 1.00 0.00 H
992
+ ATOM 992 HE2 HIS A 68 -3.496 -8.183 -2.961 1.00 0.00 H
993
+ ATOM 993 C PRO A 69 -2.307 -6.900 -7.159 1.00 0.00 C
994
+ ATOM 994 CA PRO A 69 -1.287 -5.801 -6.857 1.00 0.00 C
995
+ ATOM 995 CB PRO A 69 0.049 -6.345 -6.377 1.00 0.00 C
996
+ ATOM 996 CD PRO A 69 -1.065 -5.190 -4.516 1.00 0.00 C
997
+ ATOM 997 CG PRO A 69 0.064 -6.143 -4.871 1.00 0.00 C
998
+ ATOM 998 N PRO A 69 -1.751 -4.941 -5.780 1.00 0.00 N
999
+ ATOM 999 O PRO A 69 -2.044 -7.793 -7.962 1.00 0.00 O
1000
+ ATOM 1000 HA PRO A 69 -1.182 -5.327 -7.697 1.00 0.00 H
1001
+ ATOM 1001 HB2 PRO A 69 0.143 -7.284 -6.603 1.00 0.00 H
1002
+ ATOM 1002 HB3 PRO A 69 0.787 -5.876 -6.798 1.00 0.00 H
1003
+ ATOM 1003 HG2 PRO A 69 -0.051 -6.991 -4.414 1.00 0.00 H
1004
+ ATOM 1004 HG3 PRO A 69 0.917 -5.780 -4.586 1.00 0.00 H
1005
+ ATOM 1005 HD2 PRO A 69 -1.664 -5.582 -3.861 1.00 0.00 H
1006
+ ATOM 1006 HD3 PRO A 69 -0.724 -4.367 -4.132 1.00 0.00 H
1007
+ ATOM 1007 C LYS A 70 -5.866 -7.103 -6.432 1.00 0.00 C
1008
+ ATOM 1008 CA LYS A 70 -4.513 -7.774 -6.685 1.00 0.00 C
1009
+ ATOM 1009 CB LYS A 70 -4.266 -9.007 -5.817 1.00 0.00 C
1010
+ ATOM 1010 CD LYS A 70 -6.521 -10.127 -5.671 1.00 0.00 C
1011
+ ATOM 1011 CE LYS A 70 -6.316 -11.624 -5.426 1.00 0.00 C
1012
+ ATOM 1012 CG LYS A 70 -5.473 -9.300 -4.923 1.00 0.00 C
1013
+ ATOM 1013 N LYS A 70 -3.452 -6.799 -6.498 1.00 0.00 N
1014
+ ATOM 1014 NZ LYS A 70 -7.461 -12.189 -4.678 1.00 0.00 N
1015
+ ATOM 1015 O LYS A 70 -6.885 -7.781 -6.312 1.00 0.00 O
1016
+ ATOM 1016 H LYS A 70 -3.634 -6.173 -5.937 1.00 0.00 H
1017
+ ATOM 1017 HA LYS A 70 -4.522 -8.095 -7.600 1.00 0.00 H
1018
+ ATOM 1018 HB2 LYS A 70 -4.085 -9.774 -6.383 1.00 0.00 H
1019
+ ATOM 1019 HB3 LYS A 70 -3.479 -8.867 -5.268 1.00 0.00 H
1020
+ ATOM 1020 HG2 LYS A 70 -5.184 -9.778 -4.130 1.00 0.00 H
1021
+ ATOM 1021 HG3 LYS A 70 -5.868 -8.466 -4.623 1.00 0.00 H
1022
+ ATOM 1022 HD2 LYS A 70 -7.410 -9.867 -5.382 1.00 0.00 H
1023
+ ATOM 1023 HD3 LYS A 70 -6.467 -9.941 -6.621 1.00 0.00 H
1024
+ ATOM 1024 HE2 LYS A 70 -6.217 -12.085 -6.274 1.00 0.00 H
1025
+ ATOM 1025 HE3 LYS A 70 -5.496 -11.766 -4.928 1.00 0.00 H
1026
+ ATOM 1026 HZ1 LYS A 70 -7.183 -12.480 -3.884 1.00 0.00 H
1027
+ ATOM 1027 HZ2 LYS A 70 -8.080 -11.560 -4.563 1.00 0.00 H
1028
+ ATOM 1028 HZ3 LYS A 70 -7.810 -12.868 -5.136 1.00 0.00 H
1029
+ ATOM 1029 C GLN A 71 -8.276 -5.850 -6.460 1.00 0.00 C
1030
+ ATOM 1030 CA GLN A 71 -7.040 -5.012 -6.122 1.00 0.00 C
1031
+ ATOM 1031 CB GLN A 71 -7.027 -3.708 -6.923 1.00 0.00 C
1032
+ ATOM 1032 CD GLN A 71 -7.438 -3.340 -9.383 1.00 0.00 C
1033
+ ATOM 1033 CG GLN A 71 -6.495 -3.939 -8.339 1.00 0.00 C
1034
+ ATOM 1034 N GLN A 71 -5.831 -5.781 -6.359 1.00 0.00 N
1035
+ ATOM 1035 NE2 GLN A 71 -6.821 -2.870 -10.464 1.00 0.00 N
1036
+ ATOM 1036 O GLN A 71 -8.340 -6.468 -7.522 1.00 0.00 O
1037
+ ATOM 1037 OE1 GLN A 71 -8.647 -3.307 -9.219 1.00 0.00 O
1038
+ ATOM 1038 H GLN A 71 -5.116 -5.310 -6.444 1.00 0.00 H
1039
+ ATOM 1039 HA GLN A 71 -7.075 -4.779 -5.181 1.00 0.00 H
1040
+ ATOM 1040 HB2 GLN A 71 -7.924 -3.343 -6.967 1.00 0.00 H
1041
+ ATOM 1041 HB3 GLN A 71 -6.475 -3.052 -6.470 1.00 0.00 H
1042
+ ATOM 1042 HG2 GLN A 71 -5.615 -3.540 -8.427 1.00 0.00 H
1043
+ ATOM 1043 HG3 GLN A 71 -6.393 -4.890 -8.499 1.00 0.00 H
1044
+ ATOM 1044 HE21 GLN A 71 -5.965 -2.920 -10.526 1.00 0.00 H
1045
+ ATOM 1045 HE22 GLN A 71 -7.278 -2.516 -11.101 1.00 0.00 H
1046
+ ATOM 1046 C ARG A 72 -11.242 -6.658 -4.413 1.00 0.00 C
1047
+ ATOM 1047 CA ARG A 72 -10.455 -6.595 -5.723 1.00 0.00 C
1048
+ ATOM 1048 CB ARG A 72 -10.163 -8.018 -6.204 1.00 0.00 C
1049
+ ATOM 1049 CD ARG A 72 -11.157 -10.332 -6.346 1.00 0.00 C
1050
+ ATOM 1050 CG ARG A 72 -11.455 -8.831 -6.324 1.00 0.00 C
1051
+ ATOM 1051 CZ ARG A 72 -10.308 -10.808 -8.649 1.00 0.00 C
1052
+ ATOM 1052 N ARG A 72 -9.225 -5.844 -5.537 1.00 0.00 N
1053
+ ATOM 1053 NE ARG A 72 -11.291 -10.853 -7.724 1.00 0.00 N
1054
+ ATOM 1054 NH1 ARG A 72 -9.110 -10.262 -8.350 1.00 0.00 N
1055
+ ATOM 1055 NH2 ARG A 72 -10.537 -11.306 -9.850 1.00 0.00 N
1056
+ ATOM 1056 O ARG A 72 -10.658 -6.796 -3.339 1.00 0.00 O
1057
+ ATOM 1057 H ARG A 72 -9.177 -5.411 -4.795 1.00 0.00 H
1058
+ ATOM 1058 HA ARG A 72 -10.981 -6.138 -6.398 1.00 0.00 H
1059
+ ATOM 1059 HB2 ARG A 72 -9.715 -7.987 -7.064 1.00 0.00 H
1060
+ ATOM 1060 HB3 ARG A 72 -9.558 -8.455 -5.584 1.00 0.00 H
1061
+ ATOM 1061 HG2 ARG A 72 -12.041 -8.625 -5.579 1.00 0.00 H
1062
+ ATOM 1062 HG3 ARG A 72 -11.926 -8.579 -7.134 1.00 0.00 H
1063
+ ATOM 1063 HD2 ARG A 72 -10.260 -10.496 -6.016 1.00 0.00 H
1064
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1tg5/1tg5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ M END
115
+ $$$$
1u9q/1u9q_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1u9q/1u9q_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ung/1ung_ligand.mol2 ADDED
@@ -0,0 +1,92 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
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+ 1ung_ligand
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+
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+ 7 CAF 2.1080 68.5970 -0.3450 C.ar 1 ALH -0.0323
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+ 9 NAS 4.6370 65.4420 -0.9710 N.pl3 1 ALH -0.2597
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+ 10 CAR 5.4840 64.4360 -0.8390 C.ar 1 ALH 0.1603
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+
1ung/1ung_ligand.sdf ADDED
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1
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+ M END
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+ $$$$