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Add batch 189

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  2. 1etz/1etz_ligand.sdf +110 -0
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  12. 1jwt/1jwt_protein_processed_fix.pdb +0 -0
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  30. 1yon/1yon_protein_processed_fix.pdb +0 -0
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  32. 1z6p/1z6p_protein_processed_fix.pdb +0 -0
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  36. 2hiz/2hiz_protein_processed_fix.pdb +0 -0
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  48. 2r0y/2r0y_protein_processed_fix.pdb +0 -0
  49. 2v85/2v85_ligand.mol2 +413 -0
  50. 2v85/2v85_ligand.sdf +401 -0
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1etz/1etz_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1etz/1etz_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1guw/1guw_ligand.mol2 ADDED
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61
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62
+ 50 CG2 -1.5930 -10.7390 1.4430 C.3 1 THR -0.0346
63
+ 51 N -1.8340 -6.2130 1.7170 N.am 1 ALA -0.2639
64
+ 52 CA -2.3150 -4.9140 2.1750 C.3 1 ALA 0.1282
65
+ 53 C -3.6860 -4.5990 1.5920 C.2 1 ALA 0.2036
66
+ 54 O -3.8860 -4.6640 0.3780 O.2 1 ALA -0.3944
67
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68
+ 56 N -4.6280 -4.2510 2.4640 N.am 1 ARG -0.2637
69
+ 57 CA -5.9800 -3.9190 2.0340 C.3 1 ARG 0.1311
70
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71
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72
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73
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74
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75
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76
+ 64 CZ -8.2430 -7.1560 5.9340 C.cat 1 ARG 0.2882
77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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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
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101
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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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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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179
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180
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185
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186
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190
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191
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192
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200
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202
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205
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210
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211
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213
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228
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229
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230
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231
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232
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235
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236
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238
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239
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240
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242
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266
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+ M END
546
+ $$$$
1guw/1guw_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,614 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N HIS A 1 -37.924 4.146 14.430 1.00 0.00 N
3
+ ATOM 2 CA HIS A 1 -36.471 4.111 14.566 1.00 0.00 C
4
+ ATOM 3 C HIS A 1 -35.835 3.275 13.461 1.00 0.00 C
5
+ ATOM 4 CB HIS A 1 -36.075 3.560 15.937 1.00 0.00 C
6
+ ATOM 5 O HIS A 1 -36.110 2.080 13.344 1.00 0.00 O
7
+ ATOM 6 CG HIS A 1 -35.910 4.615 16.983 1.00 0.00 C
8
+ ATOM 7 CD2 HIS A 1 -36.656 4.910 18.074 1.00 0.00 C
9
+ ATOM 8 ND1 HIS A 1 -34.870 5.519 16.971 1.00 0.00 N
10
+ ATOM 9 CE1 HIS A 1 -34.984 6.326 18.012 1.00 0.00 C
11
+ ATOM 10 NE2 HIS A 1 -36.059 5.979 18.697 1.00 0.00 N
12
+ ATOM 11 N MET A 2 -35.843 3.691 12.174 1.00 0.00 N
13
+ ATOM 12 CA MET A 2 -35.238 2.962 11.065 1.00 0.00 C
14
+ ATOM 13 C MET A 2 -33.835 2.487 11.427 1.00 0.00 C
15
+ ATOM 14 CB MET A 2 -35.185 3.837 9.811 1.00 0.00 C
16
+ ATOM 15 O MET A 2 -32.993 3.282 11.847 1.00 0.00 O
17
+ ATOM 16 CG MET A 2 -36.552 4.150 9.225 1.00 0.00 C
18
+ ATOM 17 SD MET A 2 -37.280 2.721 8.334 1.00 0.00 S
19
+ ATOM 18 CE MET A 2 -36.251 2.717 6.840 1.00 0.00 C
20
+ ATOM 19 N VAL A 3 -33.524 1.367 12.111 1.00 0.00 N
21
+ ATOM 20 CA VAL A 3 -32.232 0.692 12.179 1.00 0.00 C
22
+ ATOM 21 C VAL A 3 -31.607 0.631 10.787 1.00 0.00 C
23
+ ATOM 22 CB VAL A 3 -32.366 -0.731 12.766 1.00 0.00 C
24
+ ATOM 23 O VAL A 3 -32.235 0.156 9.837 1.00 0.00 O
25
+ ATOM 24 CG1 VAL A 3 -30.998 -1.403 12.871 1.00 0.00 C
26
+ ATOM 25 CG2 VAL A 3 -33.048 -0.682 14.132 1.00 0.00 C
27
+ ATOM 26 N GLU A 4 -30.830 1.660 10.226 1.00 0.00 N
28
+ ATOM 27 CA GLU A 4 -29.937 1.537 9.078 1.00 0.00 C
29
+ ATOM 28 C GLU A 4 -28.952 0.386 9.263 1.00 0.00 C
30
+ ATOM 29 CB GLU A 4 -29.177 2.845 8.844 1.00 0.00 C
31
+ ATOM 30 O GLU A 4 -28.255 0.316 10.277 1.00 0.00 O
32
+ ATOM 31 CG GLU A 4 -29.955 3.872 8.033 1.00 0.00 C
33
+ ATOM 32 CD GLU A 4 -29.143 5.113 7.698 1.00 0.00 C
34
+ ATOM 33 OE1 GLU A 4 -28.003 5.245 8.198 1.00 0.00 O
35
+ ATOM 34 OE2 GLU A 4 -29.651 5.960 6.930 1.00 0.00 O
36
+ ATOM 35 N GLU A 5 -29.357 -0.895 9.048 1.00 0.00 N
37
+ ATOM 36 CA GLU A 5 -28.341 -1.929 8.871 1.00 0.00 C
38
+ ATOM 37 C GLU A 5 -27.178 -1.420 8.024 1.00 0.00 C
39
+ ATOM 38 CB GLU A 5 -28.952 -3.179 8.231 1.00 0.00 C
40
+ ATOM 39 O GLU A 5 -27.384 -0.906 6.923 1.00 0.00 O
41
+ ATOM 40 CG GLU A 5 -29.355 -4.248 9.236 1.00 0.00 C
42
+ ATOM 41 CD GLU A 5 -29.989 -5.470 8.588 1.00 0.00 C
43
+ ATOM 42 OE1 GLU A 5 -30.146 -5.485 7.346 1.00 0.00 O
44
+ ATOM 43 OE2 GLU A 5 -30.331 -6.418 9.329 1.00 0.00 O
45
+ ATOM 44 N VAL A 6 -26.206 -0.796 8.520 1.00 0.00 N
46
+ ATOM 45 CA VAL A 6 -24.941 -0.504 7.854 1.00 0.00 C
47
+ ATOM 46 C VAL A 6 -24.292 -1.804 7.385 1.00 0.00 C
48
+ ATOM 47 CB VAL A 6 -23.976 0.267 8.783 1.00 0.00 C
49
+ ATOM 48 O VAL A 6 -24.104 -2.732 8.175 1.00 0.00 O
50
+ ATOM 49 CG1 VAL A 6 -22.681 0.613 8.050 1.00 0.00 C
51
+ ATOM 50 CG2 VAL A 6 -24.647 1.534 9.314 1.00 0.00 C
52
+ ATOM 51 N LEU A 7 -24.675 -2.429 6.261 1.00 0.00 N
53
+ ATOM 52 CA LEU A 7 -23.860 -3.483 5.667 1.00 0.00 C
54
+ ATOM 53 C LEU A 7 -22.376 -3.140 5.760 1.00 0.00 C
55
+ ATOM 54 CB LEU A 7 -24.254 -3.705 4.204 1.00 0.00 C
56
+ ATOM 55 O LEU A 7 -21.973 -2.019 5.446 1.00 0.00 O
57
+ ATOM 56 CG LEU A 7 -25.628 -4.330 3.960 1.00 0.00 C
58
+ ATOM 57 CD1 LEU A 7 -26.065 -4.100 2.517 1.00 0.00 C
59
+ ATOM 58 CD2 LEU A 7 -25.603 -5.820 4.285 1.00 0.00 C
60
+ ATOM 59 N GLU A 8 -21.643 -3.584 6.825 1.00 0.00 N
61
+ ATOM 60 CA GLU A 8 -20.184 -3.562 6.832 1.00 0.00 C
62
+ ATOM 61 C GLU A 8 -19.616 -4.077 5.513 1.00 0.00 C
63
+ ATOM 62 CB GLU A 8 -19.640 -4.391 7.999 1.00 0.00 C
64
+ ATOM 63 O GLU A 8 -19.986 -5.159 5.053 1.00 0.00 O
65
+ ATOM 64 CG GLU A 8 -19.808 -3.728 9.358 1.00 0.00 C
66
+ ATOM 65 CD GLU A 8 -19.211 -4.535 10.498 1.00 0.00 C
67
+ ATOM 66 OE1 GLU A 8 -18.660 -5.630 10.243 1.00 0.00 O
68
+ ATOM 67 OE2 GLU A 8 -19.293 -4.069 11.657 1.00 0.00 O
69
+ ATOM 68 N GLU A 9 -19.474 -3.373 4.422 1.00 0.00 N
70
+ ATOM 69 CA GLU A 9 -18.710 -3.789 3.250 1.00 0.00 C
71
+ ATOM 70 C GLU A 9 -17.466 -4.575 3.653 1.00 0.00 C
72
+ ATOM 71 CB GLU A 9 -18.313 -2.573 2.408 1.00 0.00 C
73
+ ATOM 72 O GLU A 9 -16.766 -4.201 4.597 1.00 0.00 O
74
+ ATOM 73 CG GLU A 9 -19.442 -2.029 1.543 1.00 0.00 C
75
+ ATOM 74 CD GLU A 9 -19.021 -0.853 0.677 1.00 0.00 C
76
+ ATOM 75 OE1 GLU A 9 -17.834 -0.456 0.728 1.00 0.00 O
77
+ ATOM 76 OE2 GLU A 9 -19.884 -0.324 -0.058 1.00 0.00 O
78
+ ATOM 77 N GLU A 10 -17.495 -5.943 3.666 1.00 0.00 N
79
+ ATOM 78 CA GLU A 10 -16.302 -6.762 3.858 1.00 0.00 C
80
+ ATOM 79 C GLU A 10 -15.083 -6.125 3.196 1.00 0.00 C
81
+ ATOM 80 CB GLU A 10 -16.524 -8.172 3.305 1.00 0.00 C
82
+ ATOM 81 O GLU A 10 -15.145 -5.712 2.036 1.00 0.00 O
83
+ ATOM 82 CG GLU A 10 -17.470 -9.020 4.144 1.00 0.00 C
84
+ ATOM 83 CD GLU A 10 -17.537 -10.470 3.692 1.00 0.00 C
85
+ ATOM 84 OE1 GLU A 10 -16.915 -10.814 2.661 1.00 0.00 O
86
+ ATOM 85 OE2 GLU A 10 -18.218 -11.268 4.373 1.00 0.00 O
87
+ ATOM 86 N GLU A 11 -14.244 -5.602 3.899 1.00 0.00 N
88
+ ATOM 87 CA GLU A 11 -12.990 -5.064 3.378 1.00 0.00 C
89
+ ATOM 88 C GLU A 11 -12.223 -6.120 2.589 1.00 0.00 C
90
+ ATOM 89 CB GLU A 11 -12.123 -4.524 4.518 1.00 0.00 C
91
+ ATOM 90 O GLU A 11 -12.052 -7.248 3.055 1.00 0.00 O
92
+ ATOM 91 CG GLU A 11 -12.681 -3.270 5.176 1.00 0.00 C
93
+ ATOM 92 CD GLU A 11 -11.762 -2.690 6.238 1.00 0.00 C
94
+ ATOM 93 OE1 GLU A 11 -10.704 -3.295 6.523 1.00 0.00 O
95
+ ATOM 94 OE2 GLU A 11 -12.104 -1.621 6.793 1.00 0.00 O
96
+ ATOM 95 N GLU A 12 -12.106 -6.003 1.312 1.00 0.00 N
97
+ ATOM 96 CA GLU A 12 -11.325 -6.901 0.468 1.00 0.00 C
98
+ ATOM 97 C GLU A 12 -9.828 -6.704 0.689 1.00 0.00 C
99
+ ATOM 98 CB GLU A 12 -11.671 -6.690 -1.008 1.00 0.00 C
100
+ ATOM 99 O GLU A 12 -9.362 -5.575 0.845 1.00 0.00 O
101
+ ATOM 100 CG GLU A 12 -13.077 -7.141 -1.380 1.00 0.00 C
102
+ ATOM 101 CD GLU A 12 -13.383 -6.986 -2.862 1.00 0.00 C
103
+ ATOM 102 OE1 GLU A 12 -12.475 -6.600 -3.632 1.00 0.00 O
104
+ ATOM 103 OE2 GLU A 12 -14.541 -7.253 -3.255 1.00 0.00 O
105
+ ATOM 104 N GLU A 13 -9.173 -7.767 0.938 1.00 0.00 N
106
+ ATOM 105 CA GLU A 13 -7.722 -7.797 1.092 1.00 0.00 C
107
+ ATOM 106 C GLU A 13 -7.038 -8.245 -0.196 1.00 0.00 C
108
+ ATOM 107 CB GLU A 13 -7.323 -8.717 2.248 1.00 0.00 C
109
+ ATOM 108 O GLU A 13 -7.487 -9.192 -0.845 1.00 0.00 O
110
+ ATOM 109 CG GLU A 13 -7.770 -8.218 3.614 1.00 0.00 C
111
+ ATOM 110 CD GLU A 13 -7.361 -9.140 4.753 1.00 0.00 C
112
+ ATOM 111 OE1 GLU A 13 -6.789 -10.221 4.484 1.00 0.00 O
113
+ ATOM 112 OE2 GLU A 13 -7.617 -8.779 5.923 1.00 0.00 O
114
+ ATOM 113 N TYR A 14 -6.024 -7.456 -0.638 1.00 0.00 N
115
+ ATOM 114 CA TYR A 14 -5.210 -7.753 -1.812 1.00 0.00 C
116
+ ATOM 115 C TYR A 14 -3.744 -7.919 -1.430 1.00 0.00 C
117
+ ATOM 116 CB TYR A 14 -5.355 -6.646 -2.860 1.00 0.00 C
118
+ ATOM 117 O TYR A 14 -3.302 -7.407 -0.398 1.00 0.00 O
119
+ ATOM 118 CG TYR A 14 -6.761 -6.484 -3.381 1.00 0.00 C
120
+ ATOM 119 CD1 TYR A 14 -7.293 -7.386 -4.301 1.00 0.00 C
121
+ ATOM 120 CD2 TYR A 14 -7.562 -5.428 -2.958 1.00 0.00 C
122
+ ATOM 121 CE1 TYR A 14 -8.588 -7.239 -4.786 1.00 0.00 C
123
+ ATOM 122 CE2 TYR A 14 -8.859 -5.273 -3.436 1.00 0.00 C
124
+ ATOM 123 OH TYR A 14 -10.645 -6.032 -4.826 1.00 0.00 O
125
+ ATOM 124 CZ TYR A 14 -9.362 -6.182 -4.349 1.00 0.00 C
126
+ ATOM 125 N VAL A 15 -3.029 -8.631 -2.232 1.00 0.00 N
127
+ ATOM 126 CA VAL A 15 -1.609 -8.857 -1.981 1.00 0.00 C
128
+ ATOM 127 C VAL A 15 -0.788 -7.734 -2.611 1.00 0.00 C
129
+ ATOM 128 CB VAL A 15 -1.147 -10.227 -2.527 1.00 0.00 C
130
+ ATOM 129 O VAL A 15 -0.946 -7.431 -3.795 1.00 0.00 O
131
+ ATOM 130 CG1 VAL A 15 0.355 -10.410 -2.323 1.00 0.00 C
132
+ ATOM 131 CG2 VAL A 15 -1.924 -11.357 -1.855 1.00 0.00 C
133
+ ATOM 132 N VAL A 16 0.038 -7.156 -1.776 1.00 0.00 N
134
+ ATOM 133 CA VAL A 16 0.929 -6.102 -2.251 1.00 0.00 C
135
+ ATOM 134 C VAL A 16 2.123 -6.721 -2.974 1.00 0.00 C
136
+ ATOM 135 CB VAL A 16 1.414 -5.203 -1.091 1.00 0.00 C
137
+ ATOM 136 O VAL A 16 2.759 -7.643 -2.457 1.00 0.00 O
138
+ ATOM 137 CG1 VAL A 16 2.359 -4.120 -1.606 1.00 0.00 C
139
+ ATOM 138 CG2 VAL A 16 0.224 -4.580 -0.366 1.00 0.00 C
140
+ ATOM 139 N GLU A 17 2.444 -6.328 -4.146 1.00 0.00 N
141
+ ATOM 140 CA GLU A 17 3.618 -6.774 -4.890 1.00 0.00 C
142
+ ATOM 141 C GLU A 17 4.841 -5.929 -4.547 1.00 0.00 C
143
+ ATOM 142 CB GLU A 17 3.351 -6.725 -6.397 1.00 0.00 C
144
+ ATOM 143 O GLU A 17 5.935 -6.464 -4.348 1.00 0.00 O
145
+ ATOM 144 CG GLU A 17 4.513 -7.222 -7.244 1.00 0.00 C
146
+ ATOM 145 CD GLU A 17 4.242 -7.151 -8.738 1.00 0.00 C
147
+ ATOM 146 OE1 GLU A 17 3.250 -7.756 -9.204 1.00 0.00 O
148
+ ATOM 147 OE2 GLU A 17 5.027 -6.484 -9.448 1.00 0.00 O
149
+ ATOM 148 N LYS A 18 4.638 -4.618 -4.554 1.00 0.00 N
150
+ ATOM 149 CA LYS A 18 5.741 -3.676 -4.379 1.00 0.00 C
151
+ ATOM 150 C LYS A 18 5.245 -2.351 -3.808 1.00 0.00 C
152
+ ATOM 151 CB LYS A 18 6.459 -3.438 -5.707 1.00 0.00 C
153
+ ATOM 152 O LYS A 18 4.121 -1.929 -4.088 1.00 0.00 O
154
+ ATOM 153 CG LYS A 18 7.796 -2.724 -5.569 1.00 0.00 C
155
+ ATOM 154 CD LYS A 18 8.508 -2.606 -6.911 1.00 0.00 C
156
+ ATOM 155 CE LYS A 18 9.911 -2.035 -6.751 1.00 0.00 C
157
+ ATOM 156 NZ LYS A 18 10.639 -1.983 -8.054 1.00 0.00 N
158
+ ATOM 157 N VAL A 19 6.092 -1.736 -2.916 1.00 0.00 N
159
+ ATOM 158 CA VAL A 19 5.884 -0.363 -2.466 1.00 0.00 C
160
+ ATOM 159 C VAL A 19 6.639 0.601 -3.379 1.00 0.00 C
161
+ ATOM 160 CB VAL A 19 6.334 -0.172 -1.000 1.00 0.00 C
162
+ ATOM 161 O VAL A 19 7.853 0.473 -3.558 1.00 0.00 O
163
+ ATOM 162 CG1 VAL A 19 6.072 1.260 -0.537 1.00 0.00 C
164
+ ATOM 163 CG2 VAL A 19 5.621 -1.170 -0.089 1.00 0.00 C
165
+ ATOM 164 N LEU A 20 5.967 1.654 -3.967 1.00 0.00 N
166
+ ATOM 165 CA LEU A 20 6.536 2.486 -5.021 1.00 0.00 C
167
+ ATOM 166 C LEU A 20 6.870 3.878 -4.495 1.00 0.00 C
168
+ ATOM 167 CB LEU A 20 5.568 2.593 -6.202 1.00 0.00 C
169
+ ATOM 168 O LEU A 20 7.740 4.560 -5.042 1.00 0.00 O
170
+ ATOM 169 CG LEU A 20 5.178 1.278 -6.880 1.00 0.00 C
171
+ ATOM 170 CD1 LEU A 20 4.135 1.531 -7.965 1.00 0.00 C
172
+ ATOM 171 CD2 LEU A 20 6.407 0.591 -7.463 1.00 0.00 C
173
+ ATOM 172 N ASP A 21 6.142 4.344 -3.501 1.00 0.00 N
174
+ ATOM 173 CA ASP A 21 6.333 5.693 -2.975 1.00 0.00 C
175
+ ATOM 174 C ASP A 21 5.768 5.818 -1.562 1.00 0.00 C
176
+ ATOM 175 CB ASP A 21 5.680 6.725 -3.896 1.00 0.00 C
177
+ ATOM 176 O ASP A 21 5.046 4.934 -1.097 1.00 0.00 O
178
+ ATOM 177 CG ASP A 21 6.367 8.079 -3.852 1.00 0.00 C
179
+ ATOM 178 OD1 ASP A 21 7.213 8.305 -2.959 1.00 0.00 O
180
+ ATOM 179 OD2 ASP A 21 6.057 8.929 -4.714 1.00 0.00 O
181
+ ATOM 180 N ARG A 22 6.088 6.924 -0.951 1.00 0.00 N
182
+ ATOM 181 CA ARG A 22 5.655 7.251 0.404 1.00 0.00 C
183
+ ATOM 182 C ARG A 22 5.325 8.735 0.529 1.00 0.00 C
184
+ ATOM 183 CB ARG A 22 6.731 6.866 1.421 1.00 0.00 C
185
+ ATOM 184 O ARG A 22 6.015 9.581 -0.045 1.00 0.00 O
186
+ ATOM 185 CG ARG A 22 6.331 7.119 2.866 1.00 0.00 C
187
+ ATOM 186 CD ARG A 22 7.456 6.771 3.831 1.00 0.00 C
188
+ ATOM 187 NE ARG A 22 7.065 6.999 5.219 1.00 0.00 N
189
+ ATOM 188 NH1 ARG A 22 7.697 9.220 5.251 1.00 0.00 N
190
+ ATOM 189 NH2 ARG A 22 6.800 8.252 7.125 1.00 0.00 N
191
+ ATOM 190 CZ ARG A 22 7.188 8.157 5.862 1.00 0.00 C
192
+ ATOM 191 N ARG A 23 4.265 9.081 1.252 1.00 0.00 N
193
+ ATOM 192 CA ARG A 23 3.916 10.476 1.506 1.00 0.00 C
194
+ ATOM 193 C ARG A 23 3.224 10.630 2.856 1.00 0.00 C
195
+ ATOM 194 CB ARG A 23 3.018 11.017 0.391 1.00 0.00 C
196
+ ATOM 195 O ARG A 23 2.735 9.651 3.425 1.00 0.00 O
197
+ ATOM 196 CG ARG A 23 1.600 10.471 0.424 1.00 0.00 C
198
+ ATOM 197 CD ARG A 23 0.789 10.937 -0.778 1.00 0.00 C
199
+ ATOM 198 NE ARG A 23 -0.593 10.467 -0.710 1.00 0.00 N
200
+ ATOM 199 NH1 ARG A 23 -1.142 11.137 -2.852 1.00 0.00 N
201
+ ATOM 200 NH2 ARG A 23 -2.708 10.112 -1.530 1.00 0.00 N
202
+ ATOM 201 CZ ARG A 23 -1.478 10.573 -1.697 1.00 0.00 C
203
+ ATOM 202 N VAL A 24 3.267 11.837 3.403 1.00 0.00 N
204
+ ATOM 203 CA VAL A 24 2.553 12.217 4.617 1.00 0.00 C
205
+ ATOM 204 C VAL A 24 1.421 13.182 4.271 1.00 0.00 C
206
+ ATOM 205 CB VAL A 24 3.500 12.857 5.656 1.00 0.00 C
207
+ ATOM 206 O VAL A 24 1.658 14.249 3.703 1.00 0.00 O
208
+ ATOM 207 CG1 VAL A 24 2.734 13.241 6.920 1.00 0.00 C
209
+ ATOM 208 CG2 VAL A 24 4.647 11.906 5.989 1.00 0.00 C
210
+ ATOM 209 N VAL A 25 0.230 12.743 4.506 1.00 0.00 N
211
+ ATOM 210 CA VAL A 25 -0.955 13.556 4.258 1.00 0.00 C
212
+ ATOM 211 C VAL A 25 -1.710 13.782 5.565 1.00 0.00 C
213
+ ATOM 212 CB VAL A 25 -1.884 12.901 3.211 1.00 0.00 C
214
+ ATOM 213 O VAL A 25 -2.226 12.834 6.163 1.00 0.00 O
215
+ ATOM 214 CG1 VAL A 25 -3.118 13.768 2.966 1.00 0.00 C
216
+ ATOM 215 CG2 VAL A 25 -1.129 12.658 1.906 1.00 0.00 C
217
+ ATOM 216 N LYS A 26 -1.813 15.054 6.002 1.00 0.00 N
218
+ ATOM 217 CA LYS A 26 -2.479 15.427 7.246 1.00 0.00 C
219
+ ATOM 218 C LYS A 26 -1.923 14.636 8.427 1.00 0.00 C
220
+ ATOM 219 CB LYS A 26 -3.989 15.208 7.133 1.00 0.00 C
221
+ ATOM 220 O LYS A 26 -2.683 14.099 9.235 1.00 0.00 O
222
+ ATOM 221 CG LYS A 26 -4.663 16.074 6.079 1.00 0.00 C
223
+ ATOM 222 CD LYS A 26 -6.166 15.832 6.035 1.00 0.00 C
224
+ ATOM 223 CE LYS A 26 -6.832 16.648 4.935 1.00 0.00 C
225
+ ATOM 224 NZ LYS A 26 -8.286 16.327 4.810 1.00 0.00 N
226
+ ATOM 225 N GLY A 27 -0.630 14.469 8.521 1.00 0.00 N
227
+ ATOM 226 CA GLY A 27 0.047 13.837 9.643 1.00 0.00 C
228
+ ATOM 227 C GLY A 27 0.016 12.320 9.580 1.00 0.00 C
229
+ ATOM 228 O GLY A 27 0.534 11.646 10.473 1.00 0.00 O
230
+ ATOM 229 N LYS A 28 -0.629 11.792 8.498 1.00 0.00 N
231
+ ATOM 230 CA LYS A 28 -0.684 10.343 8.340 1.00 0.00 C
232
+ ATOM 231 C LYS A 28 0.157 9.886 7.151 1.00 0.00 C
233
+ ATOM 232 CB LYS A 28 -2.131 9.875 8.168 1.00 0.00 C
234
+ ATOM 233 O LYS A 28 0.164 10.535 6.103 1.00 0.00 O
235
+ ATOM 234 CG LYS A 28 -3.014 10.137 9.379 1.00 0.00 C
236
+ ATOM 235 CD LYS A 28 -4.391 9.511 9.213 1.00 0.00 C
237
+ ATOM 236 CE LYS A 28 -5.265 9.745 10.438 1.00 0.00 C
238
+ ATOM 237 NZ LYS A 28 -6.601 9.092 10.299 1.00 0.00 N
239
+ ATOM 238 N VAL A 29 0.801 8.776 7.352 1.00 0.00 N
240
+ ATOM 239 CA VAL A 29 1.663 8.216 6.316 1.00 0.00 C
241
+ ATOM 240 C VAL A 29 0.831 7.374 5.351 1.00 0.00 C
242
+ ATOM 241 CB VAL A 29 2.800 7.365 6.924 1.00 0.00 C
243
+ ATOM 242 O VAL A 29 0.005 6.564 5.778 1.00 0.00 O
244
+ ATOM 243 CG1 VAL A 29 3.640 6.721 5.822 1.00 0.00 C
245
+ ATOM 244 CG2 VAL A 29 3.677 8.220 7.836 1.00 0.00 C
246
+ ATOM 245 N GLU A 30 1.109 7.510 4.084 1.00 0.00 N
247
+ ATOM 246 CA GLU A 30 0.541 6.691 3.018 1.00 0.00 C
248
+ ATOM 247 C GLU A 30 1.629 6.171 2.082 1.00 0.00 C
249
+ ATOM 248 CB GLU A 30 -0.498 7.486 2.223 1.00 0.00 C
250
+ ATOM 249 O GLU A 30 2.669 6.812 1.914 1.00 0.00 O
251
+ ATOM 250 CG GLU A 30 -1.680 7.958 3.058 1.00 0.00 C
252
+ ATOM 251 CD GLU A 30 -2.737 8.688 2.244 1.00 0.00 C
253
+ ATOM 252 OE1 GLU A 30 -2.448 9.084 1.091 1.00 0.00 O
254
+ ATOM 253 OE2 GLU A 30 -3.861 8.867 2.764 1.00 0.00 O
255
+ ATOM 254 N TYR A 31 1.356 5.002 1.535 1.00 0.00 N
256
+ ATOM 255 CA TYR A 31 2.271 4.378 0.586 1.00 0.00 C
257
+ ATOM 256 C TYR A 31 1.584 4.125 -0.749 1.00 0.00 C
258
+ ATOM 257 CB TYR A 31 2.817 3.064 1.150 1.00 0.00 C
259
+ ATOM 258 O TYR A 31 0.401 3.775 -0.789 1.00 0.00 O
260
+ ATOM 259 CG TYR A 31 3.711 3.243 2.353 1.00 0.00 C
261
+ ATOM 260 CD1 TYR A 31 5.082 3.442 2.203 1.00 0.00 C
262
+ ATOM 261 CD2 TYR A 31 3.188 3.214 3.641 1.00 0.00 C
263
+ ATOM 262 CE1 TYR A 31 5.910 3.606 3.308 1.00 0.00 C
264
+ ATOM 263 CE2 TYR A 31 4.007 3.376 4.754 1.00 0.00 C
265
+ ATOM 264 OH TYR A 31 6.179 3.734 5.675 1.00 0.00 O
266
+ ATOM 265 CZ TYR A 31 5.363 3.572 4.578 1.00 0.00 C
267
+ ATOM 266 N LEU A 32 2.253 4.347 -1.841 1.00 0.00 N
268
+ ATOM 267 CA LEU A 32 1.791 3.933 -3.162 1.00 0.00 C
269
+ ATOM 268 C LEU A 32 2.119 2.466 -3.418 1.00 0.00 C
270
+ ATOM 269 CB LEU A 32 2.422 4.806 -4.249 1.00 0.00 C
271
+ ATOM 270 O LEU A 32 3.288 2.074 -3.392 1.00 0.00 O
272
+ ATOM 271 CG LEU A 32 1.953 4.550 -5.683 1.00 0.00 C
273
+ ATOM 272 CD1 LEU A 32 0.467 4.862 -5.818 1.00 0.00 C
274
+ ATOM 273 CD2 LEU A 32 2.770 5.377 -6.669 1.00 0.00 C
275
+ ATOM 274 N LEU A 33 1.107 1.757 -3.737 1.00 0.00 N
276
+ ATOM 275 CA LEU A 33 1.278 0.309 -3.788 1.00 0.00 C
277
+ ATOM 276 C LEU A 33 1.002 -0.220 -5.192 1.00 0.00 C
278
+ ATOM 277 CB LEU A 33 0.352 -0.377 -2.781 1.00 0.00 C
279
+ ATOM 278 O LEU A 33 0.062 0.225 -5.854 1.00 0.00 O
280
+ ATOM 279 CG LEU A 33 0.493 0.062 -1.323 1.00 0.00 C
281
+ ATOM 280 CD1 LEU A 33 -0.543 -0.645 -0.454 1.00 0.00 C
282
+ ATOM 281 CD2 LEU A 33 1.904 -0.216 -0.814 1.00 0.00 C
283
+ ATOM 282 N LYS A 34 1.814 -1.137 -5.609 1.00 0.00 N
284
+ ATOM 283 CA LYS A 34 1.546 -2.019 -6.740 1.00 0.00 C
285
+ ATOM 284 C LYS A 34 0.959 -3.349 -6.275 1.00 0.00 C
286
+ ATOM 285 CB LYS A 34 2.824 -2.264 -7.545 1.00 0.00 C
287
+ ATOM 286 O LYS A 34 1.556 -4.039 -5.445 1.00 0.00 O
288
+ ATOM 287 CG LYS A 34 2.666 -3.283 -8.664 1.00 0.00 C
289
+ ATOM 288 CD LYS A 34 1.849 -2.720 -9.821 1.00 0.00 C
290
+ ATOM 289 CE LYS A 34 1.952 -3.599 -11.060 1.00 0.00 C
291
+ ATOM 290 NZ LYS A 34 1.014 -4.760 -10.994 1.00 0.00 N
292
+ ATOM 291 N TRP A 35 -0.142 -3.678 -6.793 1.00 0.00 N
293
+ ATOM 292 CA TRP A 35 -0.863 -4.864 -6.342 1.00 0.00 C
294
+ ATOM 293 C TRP A 35 -0.555 -6.060 -7.235 1.00 0.00 C
295
+ ATOM 294 CB TRP A 35 -2.371 -4.601 -6.320 1.00 0.00 C
296
+ ATOM 295 O TRP A 35 -0.462 -5.924 -8.457 1.00 0.00 O
297
+ ATOM 296 CG TRP A 35 -2.776 -3.442 -5.459 1.00 0.00 C
298
+ ATOM 297 CD1 TRP A 35 -3.048 -2.167 -5.869 1.00 0.00 C
299
+ ATOM 298 CD2 TRP A 35 -2.948 -3.454 -4.038 1.00 0.00 C
300
+ ATOM 299 CE2 TRP A 35 -3.327 -2.148 -3.653 1.00 0.00 C
301
+ ATOM 300 CE3 TRP A 35 -2.819 -4.442 -3.053 1.00 0.00 C
302
+ ATOM 301 NE1 TRP A 35 -3.381 -1.384 -4.787 1.00 0.00 N
303
+ ATOM 302 CH2 TRP A 35 -3.446 -2.792 -1.378 1.00 0.00 C
304
+ ATOM 303 CZ2 TRP A 35 -3.579 -1.807 -2.322 1.00 0.00 C
305
+ ATOM 304 CZ3 TRP A 35 -3.071 -4.099 -1.729 1.00 0.00 C
306
+ ATOM 305 N LYS A 36 -0.412 -7.225 -6.617 1.00 0.00 N
307
+ ATOM 306 CA LYS A 36 -0.168 -8.457 -7.359 1.00 0.00 C
308
+ ATOM 307 C LYS A 36 -1.357 -8.808 -8.249 1.00 0.00 C
309
+ ATOM 308 CB LYS A 36 0.128 -9.612 -6.401 1.00 0.00 C
310
+ ATOM 309 O LYS A 36 -2.492 -8.883 -7.776 1.00 0.00 O
311
+ ATOM 310 CG LYS A 36 0.607 -10.882 -7.090 1.00 0.00 C
312
+ ATOM 311 CD LYS A 36 1.024 -11.943 -6.081 1.00 0.00 C
313
+ ATOM 312 CE LYS A 36 1.557 -13.192 -6.769 1.00 0.00 C
314
+ ATOM 313 NZ LYS A 36 2.081 -14.186 -5.785 1.00 0.00 N
315
+ ATOM 314 N GLY A 37 -1.069 -8.922 -9.510 1.00 0.00 N
316
+ ATOM 315 CA GLY A 37 -2.110 -9.323 -10.442 1.00 0.00 C
317
+ ATOM 316 C GLY A 37 -2.857 -8.147 -11.042 1.00 0.00 C
318
+ ATOM 317 O GLY A 37 -3.820 -8.334 -11.789 1.00 0.00 O
319
+ ATOM 318 N PHE A 38 -2.448 -7.016 -10.697 1.00 0.00 N
320
+ ATOM 319 CA PHE A 38 -3.119 -5.830 -11.215 1.00 0.00 C
321
+ ATOM 320 C PHE A 38 -2.146 -4.951 -11.990 1.00 0.00 C
322
+ ATOM 321 CB PHE A 38 -3.755 -5.029 -10.075 1.00 0.00 C
323
+ ATOM 322 O PHE A 38 -0.937 -4.992 -11.749 1.00 0.00 O
324
+ ATOM 323 CG PHE A 38 -4.898 -5.736 -9.398 1.00 0.00 C
325
+ ATOM 324 CD1 PHE A 38 -6.212 -5.481 -9.774 1.00 0.00 C
326
+ ATOM 325 CD2 PHE A 38 -4.660 -6.658 -8.388 1.00 0.00 C
327
+ ATOM 326 CE1 PHE A 38 -7.272 -6.135 -9.150 1.00 0.00 C
328
+ ATOM 327 CE2 PHE A 38 -5.714 -7.315 -7.759 1.00 0.00 C
329
+ ATOM 328 CZ PHE A 38 -7.019 -7.051 -8.142 1.00 0.00 C
330
+ ATOM 329 N SER A 39 -2.643 -4.178 -12.952 1.00 0.00 N
331
+ ATOM 330 CA SER A 39 -1.820 -3.267 -13.739 1.00 0.00 C
332
+ ATOM 331 C SER A 39 -1.468 -2.013 -12.946 1.00 0.00 C
333
+ ATOM 332 CB SER A 39 -2.538 -2.877 -15.032 1.00 0.00 C
334
+ ATOM 333 O SER A 39 -2.055 -1.751 -11.895 1.00 0.00 O
335
+ ATOM 334 OG SER A 39 -3.593 -1.969 -14.767 1.00 0.00 O
336
+ ATOM 335 N ASP A 40 -0.530 -1.287 -13.480 1.00 0.00 N
337
+ ATOM 336 CA ASP A 40 -0.034 -0.087 -12.812 1.00 0.00 C
338
+ ATOM 337 C ASP A 40 -1.140 0.955 -12.663 1.00 0.00 C
339
+ ATOM 338 CB ASP A 40 1.148 0.506 -13.581 1.00 0.00 C
340
+ ATOM 339 O ASP A 40 -1.096 1.790 -11.757 1.00 0.00 O
341
+ ATOM 340 CG ASP A 40 2.422 -0.304 -13.428 1.00 0.00 C
342
+ ATOM 341 OD1 ASP A 40 2.455 -1.239 -12.600 1.00 0.00 O
343
+ ATOM 342 OD2 ASP A 40 3.405 -0.003 -14.141 1.00 0.00 O
344
+ ATOM 343 N GLU A 41 -2.161 0.867 -13.559 1.00 0.00 N
345
+ ATOM 344 CA GLU A 41 -3.273 1.810 -13.488 1.00 0.00 C
346
+ ATOM 345 C GLU A 41 -4.072 1.625 -12.201 1.00 0.00 C
347
+ ATOM 346 CB GLU A 41 -4.189 1.653 -14.703 1.00 0.00 C
348
+ ATOM 347 O GLU A 41 -4.811 2.522 -11.788 1.00 0.00 O
349
+ ATOM 348 CG GLU A 41 -3.568 2.128 -16.009 1.00 0.00 C
350
+ ATOM 349 CD GLU A 41 -4.453 1.882 -17.220 1.00 0.00 C
351
+ ATOM 350 OE1 GLU A 41 -5.621 1.467 -17.045 1.00 0.00 O
352
+ ATOM 351 OE2 GLU A 41 -3.975 2.106 -18.354 1.00 0.00 O
353
+ ATOM 352 N ASP A 42 -3.858 0.492 -11.599 1.00 0.00 N
354
+ ATOM 353 CA ASP A 42 -4.636 0.179 -10.404 1.00 0.00 C
355
+ ATOM 354 C ASP A 42 -3.816 0.417 -9.137 1.00 0.00 C
356
+ ATOM 355 CB ASP A 42 -5.128 -1.269 -10.447 1.00 0.00 C
357
+ ATOM 356 O ASP A 42 -4.230 0.030 -8.042 1.00 0.00 O
358
+ ATOM 357 CG ASP A 42 -6.156 -1.514 -11.537 1.00 0.00 C
359
+ ATOM 358 OD1 ASP A 42 -7.130 -0.737 -11.643 1.00 0.00 O
360
+ ATOM 359 OD2 ASP A 42 -5.993 -2.494 -12.297 1.00 0.00 O
361
+ ATOM 360 N ASN A 43 -2.588 0.941 -9.330 1.00 0.00 N
362
+ ATOM 361 CA ASN A 43 -1.830 1.328 -8.144 1.00 0.00 C
363
+ ATOM 362 C ASN A 43 -2.597 2.337 -7.294 1.00 0.00 C
364
+ ATOM 363 CB ASN A 43 -0.465 1.895 -8.540 1.00 0.00 C
365
+ ATOM 364 O ASN A 43 -3.301 3.197 -7.827 1.00 0.00 O
366
+ ATOM 365 CG ASN A 43 0.428 0.861 -9.196 1.00 0.00 C
367
+ ATOM 366 ND2 ASN A 43 1.503 1.321 -9.826 1.00 0.00 N
368
+ ATOM 367 OD1 ASN A 43 0.156 -0.340 -9.136 1.00 0.00 O
369
+ ATOM 368 N THR A 44 -2.514 2.209 -6.055 1.00 0.00 N
370
+ ATOM 369 CA THR A 44 -3.254 3.124 -5.193 1.00 0.00 C
371
+ ATOM 370 C THR A 44 -2.411 3.534 -3.990 1.00 0.00 C
372
+ ATOM 371 CB THR A 44 -4.572 2.493 -4.708 1.00 0.00 C
373
+ ATOM 372 O THR A 44 -1.497 2.811 -3.589 1.00 0.00 O
374
+ ATOM 373 CG2 THR A 44 -5.437 2.053 -5.885 1.00 0.00 C
375
+ ATOM 374 OG1 THR A 44 -4.277 1.351 -3.894 1.00 0.00 O
376
+ ATOM 375 N TRP A 45 -2.677 4.703 -3.482 1.00 0.00 N
377
+ ATOM 376 CA TRP A 45 -2.164 5.180 -2.201 1.00 0.00 C
378
+ ATOM 377 C TRP A 45 -2.971 4.604 -1.043 1.00 0.00 C
379
+ ATOM 378 CB TRP A 45 -2.191 6.710 -2.148 1.00 0.00 C
380
+ ATOM 379 O TRP A 45 -4.197 4.728 -1.009 1.00 0.00 O
381
+ ATOM 380 CG TRP A 45 -1.183 7.369 -3.039 1.00 0.00 C
382
+ ATOM 381 CD1 TRP A 45 -1.379 7.818 -4.315 1.00 0.00 C
383
+ ATOM 382 CD2 TRP A 45 0.185 7.647 -2.722 1.00 0.00 C
384
+ ATOM 383 CE2 TRP A 45 0.758 8.268 -3.854 1.00 0.00 C
385
+ ATOM 384 CE3 TRP A 45 0.981 7.433 -1.590 1.00 0.00 C
386
+ ATOM 385 NE1 TRP A 45 -0.216 8.361 -4.811 1.00 0.00 N
387
+ ATOM 386 CH2 TRP A 45 2.851 8.455 -2.764 1.00 0.00 C
388
+ ATOM 387 CZ2 TRP A 45 2.094 8.678 -3.885 1.00 0.00 C
389
+ ATOM 388 CZ3 TRP A 45 2.310 7.840 -1.623 1.00 0.00 C
390
+ ATOM 389 N GLU A 46 -2.333 4.029 -0.139 1.00 0.00 N
391
+ ATOM 390 CA GLU A 46 -2.995 3.399 0.999 1.00 0.00 C
392
+ ATOM 391 C GLU A 46 -2.418 3.901 2.320 1.00 0.00 C
393
+ ATOM 392 CB GLU A 46 -2.873 1.875 0.918 1.00 0.00 C
394
+ ATOM 393 O GLU A 46 -1.200 4.013 2.469 1.00 0.00 O
395
+ ATOM 394 CG GLU A 46 -3.535 1.271 -0.312 1.00 0.00 C
396
+ ATOM 395 CD GLU A 46 -5.044 1.449 -0.330 1.00 0.00 C
397
+ ATOM 396 OE1 GLU A 46 -5.657 1.551 0.757 1.00 0.00 O
398
+ ATOM 397 OE2 GLU A 46 -5.620 1.487 -1.441 1.00 0.00 O
399
+ ATOM 398 N PRO A 47 -3.314 4.193 3.333 1.00 0.00 N
400
+ ATOM 399 CA PRO A 47 -2.809 4.504 4.673 1.00 0.00 C
401
+ ATOM 400 C PRO A 47 -2.034 3.344 5.296 1.00 0.00 C
402
+ ATOM 401 CB PRO A 47 -4.082 4.800 5.469 1.00 0.00 C
403
+ ATOM 402 O PRO A 47 -2.389 2.181 5.091 1.00 0.00 O
404
+ ATOM 403 CG PRO A 47 -5.142 5.002 4.434 1.00 0.00 C
405
+ ATOM 404 CD PRO A 47 -4.743 4.259 3.192 1.00 0.00 C
406
+ ATOM 405 N GLU A 48 -0.974 3.674 5.971 1.00 0.00 N
407
+ ATOM 406 CA GLU A 48 -0.100 2.682 6.591 1.00 0.00 C
408
+ ATOM 407 C GLU A 48 -0.892 1.725 7.477 1.00 0.00 C
409
+ ATOM 408 CB GLU A 48 0.998 3.368 7.408 1.00 0.00 C
410
+ ATOM 409 O GLU A 48 -0.568 0.538 7.562 1.00 0.00 O
411
+ ATOM 410 CG GLU A 48 2.010 2.405 8.011 1.00 0.00 C
412
+ ATOM 411 CD GLU A 48 3.196 3.105 8.653 1.00 0.00 C
413
+ ATOM 412 OE1 GLU A 48 2.986 3.999 9.504 1.00 0.00 O
414
+ ATOM 413 OE2 GLU A 48 4.346 2.758 8.300 1.00 0.00 O
415
+ ATOM 414 N GLU A 49 -1.983 2.163 8.097 1.00 0.00 N
416
+ ATOM 415 CA GLU A 49 -2.800 1.367 9.009 1.00 0.00 C
417
+ ATOM 416 C GLU A 49 -3.497 0.227 8.272 1.00 0.00 C
418
+ ATOM 417 CB GLU A 49 -3.835 2.250 9.712 1.00 0.00 C
419
+ ATOM 418 O GLU A 49 -3.906 -0.758 8.889 1.00 0.00 O
420
+ ATOM 419 CG GLU A 49 -4.736 3.020 8.758 1.00 0.00 C
421
+ ATOM 420 CD GLU A 49 -5.632 4.028 9.461 1.00 0.00 C
422
+ ATOM 421 OE1 GLU A 49 -5.301 4.449 10.592 1.00 0.00 O
423
+ ATOM 422 OE2 GLU A 49 -6.673 4.400 8.875 1.00 0.00 O
424
+ ATOM 423 N ASN A 50 -3.631 0.311 6.928 1.00 0.00 N
425
+ ATOM 424 CA ASN A 50 -4.311 -0.719 6.149 1.00 0.00 C
426
+ ATOM 425 C ASN A 50 -3.345 -1.812 5.700 1.00 0.00 C
427
+ ATOM 426 CB ASN A 50 -5.012 -0.101 4.938 1.00 0.00 C
428
+ ATOM 427 O ASN A 50 -3.759 -2.800 5.091 1.00 0.00 O
429
+ ATOM 428 CG ASN A 50 -6.266 0.663 5.317 1.00 0.00 C
430
+ ATOM 429 ND2 ASN A 50 -6.846 1.368 4.351 1.00 0.00 N
431
+ ATOM 430 OD1 ASN A 50 -6.710 0.622 6.467 1.00 0.00 O
432
+ ATOM 431 N LEU A 51 -2.081 -1.606 5.963 1.00 0.00 N
433
+ ATOM 432 CA LEU A 51 -1.081 -2.472 5.349 1.00 0.00 C
434
+ ATOM 433 C LEU A 51 -0.571 -3.505 6.349 1.00 0.00 C
435
+ ATOM 434 CB LEU A 51 0.089 -1.644 4.812 1.00 0.00 C
436
+ ATOM 435 O LEU A 51 -0.399 -3.199 7.531 1.00 0.00 O
437
+ ATOM 436 CG LEU A 51 -0.259 -0.570 3.780 1.00 0.00 C
438
+ ATOM 437 CD1 LEU A 51 1.000 0.171 3.342 1.00 0.00 C
439
+ ATOM 438 CD2 LEU A 51 -0.964 -1.192 2.579 1.00 0.00 C
440
+ ATOM 439 N ASP A 52 -0.396 -4.710 5.914 1.00 0.00 N
441
+ ATOM 440 CA ASP A 52 0.246 -5.792 6.654 1.00 0.00 C
442
+ ATOM 441 C ASP A 52 1.436 -6.355 5.879 1.00 0.00 C
443
+ ATOM 442 CB ASP A 52 -0.758 -6.906 6.958 1.00 0.00 C
444
+ ATOM 443 O ASP A 52 1.536 -7.568 5.680 1.00 0.00 O
445
+ ATOM 444 CG ASP A 52 -0.208 -7.959 7.903 1.00 0.00 C
446
+ ATOM 445 OD1 ASP A 52 0.801 -7.693 8.592 1.00 0.00 O
447
+ ATOM 446 OD2 ASP A 52 -0.786 -9.066 7.958 1.00 0.00 O
448
+ ATOM 447 N CYS A 53 2.338 -5.484 5.409 1.00 0.00 N
449
+ ATOM 448 CA CYS A 53 3.500 -5.908 4.636 1.00 0.00 C
450
+ ATOM 449 C CYS A 53 4.750 -5.154 5.072 1.00 0.00 C
451
+ ATOM 450 CB CYS A 53 3.258 -5.692 3.142 1.00 0.00 C
452
+ ATOM 451 O CYS A 53 5.317 -4.381 4.297 1.00 0.00 O
453
+ ATOM 452 SG CYS A 53 2.826 -3.991 2.714 1.00 0.00 S
454
+ ATOM 453 N PRO A 54 5.069 -5.332 6.363 1.00 0.00 N
455
+ ATOM 454 CA PRO A 54 6.188 -4.562 6.910 1.00 0.00 C
456
+ ATOM 455 C PRO A 54 7.504 -4.838 6.188 1.00 0.00 C
457
+ ATOM 456 CB PRO A 54 6.257 -5.028 8.367 1.00 0.00 C
458
+ ATOM 457 O PRO A 54 8.355 -3.950 6.085 1.00 0.00 O
459
+ ATOM 458 CG PRO A 54 5.580 -6.361 8.375 1.00 0.00 C
460
+ ATOM 459 CD PRO A 54 4.474 -6.339 7.359 1.00 0.00 C
461
+ ATOM 460 N ASP A 55 7.717 -6.040 5.589 1.00 0.00 N
462
+ ATOM 461 CA ASP A 55 8.942 -6.361 4.862 1.00 0.00 C
463
+ ATOM 462 C ASP A 55 9.062 -5.522 3.592 1.00 0.00 C
464
+ ATOM 463 CB ASP A 55 8.986 -7.850 4.515 1.00 0.00 C
465
+ ATOM 464 O ASP A 55 10.146 -5.036 3.263 1.00 0.00 O
466
+ ATOM 465 CG ASP A 55 9.162 -8.738 5.735 1.00 0.00 C
467
+ ATOM 466 OD1 ASP A 55 9.654 -8.253 6.777 1.00 0.00 O
468
+ ATOM 467 OD2 ASP A 55 8.807 -9.934 5.652 1.00 0.00 O
469
+ ATOM 468 N LEU A 56 8.010 -5.364 2.911 1.00 0.00 N
470
+ ATOM 469 CA LEU A 56 8.031 -4.576 1.683 1.00 0.00 C
471
+ ATOM 470 C LEU A 56 8.275 -3.103 1.987 1.00 0.00 C
472
+ ATOM 471 CB LEU A 56 6.715 -4.741 0.918 1.00 0.00 C
473
+ ATOM 472 O LEU A 56 8.987 -2.421 1.246 1.00 0.00 O
474
+ ATOM 473 CG LEU A 56 6.425 -6.136 0.360 1.00 0.00 C
475
+ ATOM 474 CD1 LEU A 56 5.085 -6.148 -0.366 1.00 0.00 C
476
+ ATOM 475 CD2 LEU A 56 7.548 -6.584 -0.570 1.00 0.00 C
477
+ ATOM 476 N ILE A 57 7.652 -2.639 3.100 1.00 0.00 N
478
+ ATOM 477 CA ILE A 57 7.856 -1.257 3.519 1.00 0.00 C
479
+ ATOM 478 C ILE A 57 9.324 -1.038 3.876 1.00 0.00 C
480
+ ATOM 479 CB ILE A 57 6.952 -0.891 4.716 1.00 0.00 C
481
+ ATOM 480 O ILE A 57 9.932 -0.052 3.453 1.00 0.00 O
482
+ ATOM 481 CG1 ILE A 57 5.483 -0.835 4.279 1.00 0.00 C
483
+ ATOM 482 CG2 ILE A 57 7.389 0.440 5.336 1.00 0.00 C
484
+ ATOM 483 CD1 ILE A 57 4.504 -0.614 5.424 1.00 0.00 C
485
+ ATOM 484 N ALA A 58 9.872 -1.955 4.643 1.00 0.00 N
486
+ ATOM 485 CA ALA A 58 11.278 -1.853 5.025 1.00 0.00 C
487
+ ATOM 486 C ALA A 58 12.182 -1.855 3.796 1.00 0.00 C
488
+ ATOM 487 CB ALA A 58 11.658 -2.995 5.964 1.00 0.00 C
489
+ ATOM 488 O ALA A 58 13.135 -1.076 3.717 1.00 0.00 O
490
+ ATOM 489 N GLU A 59 11.905 -2.718 2.859 1.00 0.00 N
491
+ ATOM 490 CA GLU A 59 12.670 -2.775 1.617 1.00 0.00 C
492
+ ATOM 491 C GLU A 59 12.621 -1.441 0.877 1.00 0.00 C
493
+ ATOM 492 CB GLU A 59 12.150 -3.896 0.714 1.00 0.00 C
494
+ ATOM 493 O GLU A 59 13.642 -0.962 0.380 1.00 0.00 O
495
+ ATOM 494 CG GLU A 59 12.945 -4.069 -0.572 1.00 0.00 C
496
+ ATOM 495 CD GLU A 59 12.366 -5.127 -1.498 1.00 0.00 C
497
+ ATOM 496 OE1 GLU A 59 11.514 -5.926 -1.048 1.00 0.00 O
498
+ ATOM 497 OE2 GLU A 59 12.767 -5.157 -2.683 1.00 0.00 O
499
+ ATOM 498 N PHE A 60 11.500 -0.921 0.806 1.00 0.00 N
500
+ ATOM 499 CA PHE A 60 11.335 0.370 0.149 1.00 0.00 C
501
+ ATOM 500 C PHE A 60 12.151 1.445 0.855 1.00 0.00 C
502
+ ATOM 501 CB PHE A 60 9.856 0.772 0.112 1.00 0.00 C
503
+ ATOM 502 O PHE A 60 12.873 2.208 0.210 1.00 0.00 O
504
+ ATOM 503 CG PHE A 60 9.625 2.192 -0.328 1.00 0.00 C
505
+ ATOM 504 CD1 PHE A 60 9.759 2.551 -1.663 1.00 0.00 C
506
+ ATOM 505 CD2 PHE A 60 9.273 3.168 0.595 1.00 0.00 C
507
+ ATOM 506 CE1 PHE A 60 9.545 3.865 -2.073 1.00 0.00 C
508
+ ATOM 507 CE2 PHE A 60 9.057 4.483 0.193 1.00 0.00 C
509
+ ATOM 508 CZ PHE A 60 9.195 4.830 -1.142 1.00 0.00 C
510
+ ATOM 509 N LEU A 61 12.021 1.523 2.181 1.00 0.00 N
511
+ ATOM 510 CA LEU A 61 12.726 2.555 2.935 1.00 0.00 C
512
+ ATOM 511 C LEU A 61 14.235 2.396 2.792 1.00 0.00 C
513
+ ATOM 512 CB LEU A 61 12.333 2.502 4.413 1.00 0.00 C
514
+ ATOM 513 O LEU A 61 14.959 3.386 2.660 1.00 0.00 O
515
+ ATOM 514 CG LEU A 61 10.885 2.866 4.744 1.00 0.00 C
516
+ ATOM 515 CD1 LEU A 61 10.601 2.624 6.222 1.00 0.00 C
517
+ ATOM 516 CD2 LEU A 61 10.600 4.317 4.370 1.00 0.00 C
518
+ ATOM 517 N GLN A 62 14.646 1.140 2.764 1.00 0.00 N
519
+ ATOM 518 CA GLN A 62 16.069 0.901 2.555 1.00 0.00 C
520
+ ATOM 519 C GLN A 62 16.506 1.361 1.167 1.00 0.00 C
521
+ ATOM 520 CB GLN A 62 16.400 -0.581 2.746 1.00 0.00 C
522
+ ATOM 521 O GLN A 62 17.584 1.939 1.009 1.00 0.00 O
523
+ ATOM 522 CG GLN A 62 17.886 -0.896 2.655 1.00 0.00 C
524
+ ATOM 523 CD GLN A 62 18.706 -0.167 3.705 1.00 0.00 C
525
+ ATOM 524 NE2 GLN A 62 19.928 0.209 3.348 1.00 0.00 N
526
+ ATOM 525 OE1 GLN A 62 18.242 0.055 4.827 1.00 0.00 O
527
+ ATOM 526 N SER A 63 15.738 1.083 0.193 1.00 0.00 N
528
+ ATOM 527 CA SER A 63 16.079 1.515 -1.159 1.00 0.00 C
529
+ ATOM 528 C SER A 63 16.159 3.036 -1.249 1.00 0.00 C
530
+ ATOM 529 CB SER A 63 15.054 0.989 -2.164 1.00 0.00 C
531
+ ATOM 530 O SER A 63 17.003 3.577 -1.966 1.00 0.00 O
532
+ ATOM 531 OG SER A 63 13.860 1.750 -2.109 1.00 0.00 O
533
+ ATOM 532 N GLN A 64 15.252 3.696 -0.577 1.00 0.00 N
534
+ ATOM 533 CA GLN A 64 15.285 5.155 -0.559 1.00 0.00 C
535
+ ATOM 534 C GLN A 64 16.553 5.668 0.119 1.00 0.00 C
536
+ ATOM 535 CB GLN A 64 14.049 5.712 0.150 1.00 0.00 C
537
+ ATOM 536 O GLN A 64 17.151 6.646 -0.332 1.00 0.00 O
538
+ ATOM 537 CG GLN A 64 12.751 5.491 -0.614 1.00 0.00 C
539
+ ATOM 538 CD GLN A 64 12.728 6.206 -1.951 1.00 0.00 C
540
+ ATOM 539 NE2 GLN A 64 12.321 5.496 -2.998 1.00 0.00 N
541
+ ATOM 540 OE1 GLN A 64 13.071 7.389 -2.044 1.00 0.00 O
542
+ ATOM 541 N LYS A 65 16.910 5.065 1.186 1.00 0.00 N
543
+ ATOM 542 CA LYS A 65 18.116 5.456 1.911 1.00 0.00 C
544
+ ATOM 543 C LYS A 65 19.356 5.304 1.036 1.00 0.00 C
545
+ ATOM 544 CB LYS A 65 18.269 4.625 3.186 1.00 0.00 C
546
+ ATOM 545 O LYS A 65 20.216 6.187 1.009 1.00 0.00 O
547
+ ATOM 546 CG LYS A 65 19.436 5.052 4.065 1.00 0.00 C
548
+ ATOM 547 CD LYS A 65 19.514 4.214 5.335 1.00 0.00 C
549
+ ATOM 548 CE LYS A 65 20.739 4.571 6.166 1.00 0.00 C
550
+ ATOM 549 NZ LYS A 65 20.836 3.731 7.398 1.00 0.00 N
551
+ ATOM 550 N THR A 66 19.459 4.180 0.397 1.00 0.00 N
552
+ ATOM 551 CA THR A 66 20.598 3.934 -0.480 1.00 0.00 C
553
+ ATOM 552 C THR A 66 20.627 4.945 -1.623 1.00 0.00 C
554
+ ATOM 553 CB THR A 66 20.562 2.506 -1.055 1.00 0.00 C
555
+ ATOM 554 O THR A 66 21.697 5.423 -2.008 1.00 0.00 O
556
+ ATOM 555 CG2 THR A 66 21.792 2.228 -1.913 1.00 0.00 C
557
+ ATOM 556 OG1 THR A 66 20.523 1.564 0.024 1.00 0.00 O
558
+ ATOM 557 N ALA A 67 19.533 5.160 -2.199 1.00 0.00 N
559
+ ATOM 558 CA ALA A 67 19.464 6.132 -3.287 1.00 0.00 C
560
+ ATOM 559 C ALA A 67 19.931 7.508 -2.824 1.00 0.00 C
561
+ ATOM 560 CB ALA A 67 18.042 6.213 -3.838 1.00 0.00 C
562
+ ATOM 561 O ALA A 67 20.639 8.208 -3.553 1.00 0.00 O
563
+ ATOM 562 N HIS A 68 19.477 7.917 -1.716 1.00 0.00 N
564
+ ATOM 563 CA HIS A 68 19.864 9.215 -1.174 1.00 0.00 C
565
+ ATOM 564 C HIS A 68 21.363 9.271 -0.897 1.00 0.00 C
566
+ ATOM 565 CB HIS A 68 19.083 9.517 0.106 1.00 0.00 C
567
+ ATOM 566 O HIS A 68 22.013 10.281 -1.178 1.00 0.00 O
568
+ ATOM 567 CG HIS A 68 19.339 10.883 0.658 1.00 0.00 C
569
+ ATOM 568 CD2 HIS A 68 19.947 11.281 1.799 1.00 0.00 C
570
+ ATOM 569 ND1 HIS A 68 18.944 12.033 0.008 1.00 0.00 N
571
+ ATOM 570 CE1 HIS A 68 19.301 13.083 0.730 1.00 0.00 C
572
+ ATOM 571 NE2 HIS A 68 19.912 12.653 1.821 1.00 0.00 N
573
+ ATOM 572 N GLU A 69 21.957 8.232 -0.284 1.00 0.00 N
574
+ ATOM 573 CA GLU A 69 23.386 8.169 0.009 1.00 0.00 C
575
+ ATOM 574 C GLU A 69 24.216 8.240 -1.269 1.00 0.00 C
576
+ ATOM 575 CB GLU A 69 23.721 6.890 0.782 1.00 0.00 C
577
+ ATOM 576 O GLU A 69 25.273 8.874 -1.295 1.00 0.00 O
578
+ ATOM 577 CG GLU A 69 23.213 6.887 2.216 1.00 0.00 C
579
+ ATOM 578 CD GLU A 69 23.404 5.552 2.918 1.00 0.00 C
580
+ ATOM 579 OE1 GLU A 69 23.850 4.581 2.265 1.00 0.00 O
581
+ ATOM 580 OE2 GLU A 69 23.106 5.476 4.131 1.00 0.00 O
582
+ ATOM 581 N THR A 70 23.725 7.515 -2.248 1.00 0.00 N
583
+ ATOM 582 CA THR A 70 24.407 7.545 -3.538 1.00 0.00 C
584
+ ATOM 583 C THR A 70 24.379 8.952 -4.131 1.00 0.00 C
585
+ ATOM 584 CB THR A 70 23.770 6.555 -4.530 1.00 0.00 C
586
+ ATOM 585 O THR A 70 25.369 9.407 -4.708 1.00 0.00 O
587
+ ATOM 586 CG2 THR A 70 24.555 6.504 -5.836 1.00 0.00 C
588
+ ATOM 587 OG1 THR A 70 23.753 5.246 -3.945 1.00 0.00 O
589
+ ATOM 588 N ASP A 71 23.294 9.607 -4.045 1.00 0.00 N
590
+ ATOM 589 CA ASP A 71 23.170 10.971 -4.550 1.00 0.00 C
591
+ ATOM 590 C ASP A 71 24.153 11.907 -3.849 1.00 0.00 C
592
+ ATOM 591 CB ASP A 71 21.739 11.481 -4.372 1.00 0.00 C
593
+ ATOM 592 O ASP A 71 24.669 12.845 -4.461 1.00 0.00 O
594
+ ATOM 593 CG ASP A 71 20.773 10.906 -5.392 1.00 0.00 C
595
+ ATOM 594 OD1 ASP A 71 21.224 10.258 -6.361 1.00 0.00 O
596
+ ATOM 595 OD2 ASP A 71 19.550 11.104 -5.227 1.00 0.00 O
597
+ ATOM 596 N LYS A 72 24.278 11.659 -2.573 1.00 0.00 N
598
+ ATOM 597 CA LYS A 72 25.175 12.515 -1.803 1.00 0.00 C
599
+ ATOM 598 C LYS A 72 26.629 12.300 -2.216 1.00 0.00 C
600
+ ATOM 599 CB LYS A 72 25.012 12.257 -0.304 1.00 0.00 C
601
+ ATOM 600 O LYS A 72 27.460 13.200 -2.076 1.00 0.00 O
602
+ ATOM 601 CG LYS A 72 23.715 12.797 0.279 1.00 0.00 C
603
+ ATOM 602 CD LYS A 72 23.655 12.599 1.787 1.00 0.00 C
604
+ ATOM 603 CE LYS A 72 22.388 13.199 2.382 1.00 0.00 C
605
+ ATOM 604 NZ LYS A 72 22.324 13.004 3.861 1.00 0.00 N
606
+ ATOM 605 N SER A 73 26.871 11.208 -2.896 1.00 0.00 N
607
+ ATOM 606 CA SER A 73 28.243 10.943 -3.315 1.00 0.00 C
608
+ ATOM 607 C SER A 73 28.491 11.431 -4.738 1.00 0.00 C
609
+ ATOM 608 CB SER A 73 28.556 9.449 -3.217 1.00 0.00 C
610
+ ATOM 609 O SER A 73 29.564 11.958 -5.041 1.00 0.00 O
611
+ ATOM 610 OG SER A 73 27.618 8.690 -3.960 1.00 0.00 O
612
+ ATOM 611 OXT SER A 73 27.396 11.046 -5.015 1.00 0.00 O
613
+ TER 612 SER A 73
614
+ END
1guw/1guw_protein_processed_fix.pdb ADDED
@@ -0,0 +1,1190 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N HIS A 1 -24.643 -13.209 13.440 1.00 0.00 N
3
+ ATOM 2 CA HIS A 1 -26.019 -13.632 13.071 1.00 0.00 C
4
+ ATOM 3 C HIS A 1 -27.060 -13.043 14.020 1.00 0.00 C
5
+ ATOM 4 O HIS A 1 -26.828 -12.932 15.225 1.00 0.00 O
6
+ ATOM 5 CB HIS A 1 -26.086 -15.165 13.075 1.00 0.00 C
7
+ ATOM 6 CG HIS A 1 -25.650 -15.812 14.361 1.00 0.00 C
8
+ ATOM 7 ND1 HIS A 1 -25.678 -17.177 14.556 1.00 0.00 N
9
+ ATOM 8 CD2 HIS A 1 -25.171 -15.282 15.514 1.00 0.00 C
10
+ ATOM 9 CE1 HIS A 1 -25.238 -17.459 15.769 1.00 0.00 C
11
+ ATOM 10 NE2 HIS A 1 -24.923 -16.328 16.370 1.00 0.00 N
12
+ ATOM 11 HA HIS A 1 -26.223 -13.298 12.184 1.00 0.00 H
13
+ ATOM 12 HB2 HIS A 1 -26.997 -15.437 12.884 1.00 0.00 H
14
+ ATOM 13 HB3 HIS A 1 -25.532 -15.502 12.354 1.00 0.00 H
15
+ ATOM 14 HD1 HIS A 1 -25.941 -17.756 13.977 1.00 0.00 H
16
+ ATOM 15 HD2 HIS A 1 -25.036 -14.379 15.692 1.00 0.00 H
17
+ ATOM 16 HE1 HIS A 1 -25.163 -18.310 16.137 1.00 0.00 H
18
+ ATOM 17 HE2 HIS A 1 -24.612 -16.257 17.169 1.00 0.00 H
19
+ ATOM 18 N MET A 2 -28.209 -12.661 13.465 1.00 0.00 N
20
+ ATOM 19 CA MET A 2 -29.291 -12.078 14.254 1.00 0.00 C
21
+ ATOM 20 C MET A 2 -28.827 -10.815 14.971 1.00 0.00 C
22
+ ATOM 21 O MET A 2 -29.014 -10.671 16.180 1.00 0.00 O
23
+ ATOM 22 CB MET A 2 -29.820 -13.094 15.269 1.00 0.00 C
24
+ ATOM 23 CG MET A 2 -30.393 -14.350 14.632 1.00 0.00 C
25
+ ATOM 24 SD MET A 2 -31.785 -14.001 13.541 1.00 0.00 S
26
+ ATOM 25 CE MET A 2 -32.204 -15.652 12.991 1.00 0.00 C
27
+ ATOM 26 H MET A 2 -28.382 -12.732 12.626 1.00 0.00 H
28
+ ATOM 27 HA MET A 2 -30.008 -11.838 13.646 1.00 0.00 H
29
+ ATOM 28 HB2 MET A 2 -29.101 -13.344 15.869 1.00 0.00 H
30
+ ATOM 29 HB3 MET A 2 -30.507 -12.673 15.809 1.00 0.00 H
31
+ ATOM 30 HG2 MET A 2 -29.697 -14.800 14.128 1.00 0.00 H
32
+ ATOM 31 HG3 MET A 2 -30.678 -14.961 15.329 1.00 0.00 H
33
+ ATOM 32 HE1 MET A 2 -32.958 -15.609 12.382 1.00 0.00 H
34
+ ATOM 33 HE2 MET A 2 -31.443 -16.044 12.536 1.00 0.00 H
35
+ ATOM 34 HE3 MET A 2 -32.439 -16.199 13.757 1.00 0.00 H
36
+ ATOM 35 N VAL A 3 -28.221 -9.901 14.220 1.00 0.00 N
37
+ ATOM 36 CA VAL A 3 -27.728 -8.650 14.784 1.00 0.00 C
38
+ ATOM 37 C VAL A 3 -27.879 -7.501 13.787 1.00 0.00 C
39
+ ATOM 38 O VAL A 3 -28.821 -7.480 12.995 1.00 0.00 O
40
+ ATOM 39 CB VAL A 3 -26.248 -8.775 15.203 1.00 0.00 C
41
+ ATOM 40 CG1 VAL A 3 -26.095 -9.769 16.344 1.00 0.00 C
42
+ ATOM 41 CG2 VAL A 3 -25.390 -9.185 14.016 1.00 0.00 C
43
+ ATOM 42 H VAL A 3 -28.085 -9.988 13.375 1.00 0.00 H
44
+ ATOM 43 HA VAL A 3 -28.263 -8.458 15.570 1.00 0.00 H
45
+ ATOM 44 HB VAL A 3 -25.945 -7.908 15.514 1.00 0.00 H
46
+ ATOM 45 HG11 VAL A 3 -25.160 -9.834 16.593 1.00 0.00 H
47
+ ATOM 46 HG12 VAL A 3 -26.612 -9.468 17.107 1.00 0.00 H
48
+ ATOM 47 HG13 VAL A 3 -26.415 -10.640 16.060 1.00 0.00 H
49
+ ATOM 48 HG21 VAL A 3 -24.464 -9.259 14.296 1.00 0.00 H
50
+ ATOM 49 HG22 VAL A 3 -25.694 -10.041 13.677 1.00 0.00 H
51
+ ATOM 50 HG23 VAL A 3 -25.464 -8.516 13.317 1.00 0.00 H
52
+ ATOM 51 N GLU A 4 -26.951 -6.547 13.830 1.00 0.00 N
53
+ ATOM 52 CA GLU A 4 -26.992 -5.401 12.930 1.00 0.00 C
54
+ ATOM 53 C GLU A 4 -26.781 -5.833 11.481 1.00 0.00 C
55
+ ATOM 54 O GLU A 4 -25.876 -6.614 11.183 1.00 0.00 O
56
+ ATOM 55 CB GLU A 4 -25.930 -4.375 13.332 1.00 0.00 C
57
+ ATOM 56 CG GLU A 4 -26.115 -3.831 14.740 1.00 0.00 C
58
+ ATOM 57 CD GLU A 4 -25.070 -2.796 15.109 1.00 0.00 C
59
+ ATOM 58 OE1 GLU A 4 -23.868 -3.134 15.092 1.00 0.00 O
60
+ ATOM 59 OE2 GLU A 4 -25.455 -1.649 15.418 1.00 0.00 O
61
+ ATOM 60 H GLU A 4 -26.287 -6.547 14.377 1.00 0.00 H
62
+ ATOM 61 HA GLU A 4 -27.870 -4.994 13.000 1.00 0.00 H
63
+ ATOM 62 HB2 GLU A 4 -25.053 -4.784 13.264 1.00 0.00 H
64
+ ATOM 63 HB3 GLU A 4 -25.949 -3.637 12.703 1.00 0.00 H
65
+ ATOM 64 HG2 GLU A 4 -26.998 -3.436 14.817 1.00 0.00 H
66
+ ATOM 65 HG3 GLU A 4 -26.077 -4.564 15.374 1.00 0.00 H
67
+ ATOM 66 N GLU A 5 -27.621 -5.322 10.587 1.00 0.00 N
68
+ ATOM 67 CA GLU A 5 -27.526 -5.656 9.170 1.00 0.00 C
69
+ ATOM 68 C GLU A 5 -26.232 -5.113 8.571 1.00 0.00 C
70
+ ATOM 69 O GLU A 5 -25.911 -3.935 8.729 1.00 0.00 O
71
+ ATOM 70 CB GLU A 5 -28.729 -5.095 8.409 1.00 0.00 C
72
+ ATOM 71 CG GLU A 5 -30.068 -5.622 8.901 1.00 0.00 C
73
+ ATOM 72 CD GLU A 5 -30.234 -7.115 8.681 1.00 0.00 C
74
+ ATOM 73 OE1 GLU A 5 -29.327 -7.736 8.088 1.00 0.00 O
75
+ ATOM 74 OE2 GLU A 5 -31.277 -7.662 9.096 1.00 0.00 O
76
+ ATOM 75 H GLU A 5 -28.257 -4.777 10.782 1.00 0.00 H
77
+ ATOM 76 HA GLU A 5 -27.523 -6.622 9.087 1.00 0.00 H
78
+ ATOM 77 HB2 GLU A 5 -28.725 -4.128 8.483 1.00 0.00 H
79
+ ATOM 78 HB3 GLU A 5 -28.633 -5.308 7.468 1.00 0.00 H
80
+ ATOM 79 HG2 GLU A 5 -30.159 -5.427 9.847 1.00 0.00 H
81
+ ATOM 80 HG3 GLU A 5 -30.783 -5.151 8.445 1.00 0.00 H
82
+ ATOM 81 N VAL A 6 -25.493 -5.978 7.883 1.00 0.00 N
83
+ ATOM 82 CA VAL A 6 -24.236 -5.581 7.262 1.00 0.00 C
84
+ ATOM 83 C VAL A 6 -24.477 -4.691 6.044 1.00 0.00 C
85
+ ATOM 84 O VAL A 6 -25.309 -4.999 5.191 1.00 0.00 O
86
+ ATOM 85 CB VAL A 6 -23.404 -6.810 6.842 1.00 0.00 C
87
+ ATOM 86 CG1 VAL A 6 -24.175 -7.674 5.853 1.00 0.00 C
88
+ ATOM 87 CG2 VAL A 6 -22.068 -6.377 6.257 1.00 0.00 C
89
+ ATOM 88 H VAL A 6 -25.704 -6.803 7.764 1.00 0.00 H
90
+ ATOM 89 HA VAL A 6 -23.739 -5.078 7.926 1.00 0.00 H
91
+ ATOM 90 HB VAL A 6 -23.230 -7.344 7.633 1.00 0.00 H
92
+ ATOM 91 HG11 VAL A 6 -23.635 -8.440 5.602 1.00 0.00 H
93
+ ATOM 92 HG12 VAL A 6 -24.999 -7.980 6.264 1.00 0.00 H
94
+ ATOM 93 HG13 VAL A 6 -24.383 -7.153 5.062 1.00 0.00 H
95
+ ATOM 94 HG21 VAL A 6 -21.558 -7.161 5.999 1.00 0.00 H
96
+ ATOM 95 HG22 VAL A 6 -22.221 -5.820 5.478 1.00 0.00 H
97
+ ATOM 96 HG23 VAL A 6 -21.572 -5.874 6.921 1.00 0.00 H
98
+ ATOM 97 N LEU A 7 -23.736 -3.586 5.973 1.00 0.00 N
99
+ ATOM 98 CA LEU A 7 -23.857 -2.648 4.861 1.00 0.00 C
100
+ ATOM 99 C LEU A 7 -22.820 -1.535 5.001 1.00 0.00 C
101
+ ATOM 100 O LEU A 7 -23.133 -0.353 4.860 1.00 0.00 O
102
+ ATOM 101 CB LEU A 7 -25.270 -2.050 4.814 1.00 0.00 C
103
+ ATOM 102 CG LEU A 7 -25.821 -1.766 3.411 1.00 0.00 C
104
+ ATOM 103 CD1 LEU A 7 -27.238 -1.219 3.497 1.00 0.00 C
105
+ ATOM 104 CD2 LEU A 7 -24.926 -0.795 2.654 1.00 0.00 C
106
+ ATOM 105 H LEU A 7 -23.153 -3.361 6.564 1.00 0.00 H
107
+ ATOM 106 HA LEU A 7 -23.697 -3.127 4.033 1.00 0.00 H
108
+ ATOM 107 HB2 LEU A 7 -25.876 -2.657 5.266 1.00 0.00 H
109
+ ATOM 108 HB3 LEU A 7 -25.271 -1.221 5.318 1.00 0.00 H
110
+ ATOM 109 HG LEU A 7 -25.837 -2.604 2.922 1.00 0.00 H
111
+ ATOM 110 HD11 LEU A 7 -27.572 -1.044 2.603 1.00 0.00 H
112
+ ATOM 111 HD12 LEU A 7 -27.810 -1.869 3.935 1.00 0.00 H
113
+ ATOM 112 HD13 LEU A 7 -27.236 -0.394 4.008 1.00 0.00 H
114
+ ATOM 113 HD21 LEU A 7 -25.297 -0.633 1.772 1.00 0.00 H
115
+ ATOM 114 HD22 LEU A 7 -24.873 0.043 3.140 1.00 0.00 H
116
+ ATOM 115 HD23 LEU A 7 -24.038 -1.175 2.566 1.00 0.00 H
117
+ ATOM 116 N GLU A 8 -21.582 -1.929 5.287 1.00 0.00 N
118
+ ATOM 117 CA GLU A 8 -20.489 -0.977 5.453 1.00 0.00 C
119
+ ATOM 118 C GLU A 8 -19.171 -1.705 5.691 1.00 0.00 C
120
+ ATOM 119 O GLU A 8 -19.129 -2.711 6.400 1.00 0.00 O
121
+ ATOM 120 CB GLU A 8 -20.776 -0.028 6.619 1.00 0.00 C
122
+ ATOM 121 CG GLU A 8 -20.967 -0.738 7.951 1.00 0.00 C
123
+ ATOM 122 CD GLU A 8 -21.240 0.227 9.089 1.00 0.00 C
124
+ ATOM 123 OE1 GLU A 8 -22.248 0.961 9.017 1.00 0.00 O
125
+ ATOM 124 OE2 GLU A 8 -20.446 0.247 10.053 1.00 0.00 O
126
+ ATOM 125 H GLU A 8 -21.353 -2.752 5.390 1.00 0.00 H
127
+ ATOM 126 HA GLU A 8 -20.416 -0.459 4.636 1.00 0.00 H
128
+ ATOM 127 HB2 GLU A 8 -20.044 0.603 6.700 1.00 0.00 H
129
+ ATOM 128 HB3 GLU A 8 -21.573 0.487 6.418 1.00 0.00 H
130
+ ATOM 129 HG2 GLU A 8 -21.704 -1.364 7.878 1.00 0.00 H
131
+ ATOM 130 HG3 GLU A 8 -20.173 -1.257 8.154 1.00 0.00 H
132
+ ATOM 131 N GLU A 9 -18.099 -1.187 5.092 1.00 0.00 N
133
+ ATOM 132 CA GLU A 9 -16.771 -1.780 5.229 1.00 0.00 C
134
+ ATOM 133 C GLU A 9 -16.707 -3.155 4.570 1.00 0.00 C
135
+ ATOM 134 O GLU A 9 -17.611 -3.977 4.730 1.00 0.00 O
136
+ ATOM 135 CB GLU A 9 -16.381 -1.890 6.707 1.00 0.00 C
137
+ ATOM 136 CG GLU A 9 -16.376 -0.556 7.435 1.00 0.00 C
138
+ ATOM 137 CD GLU A 9 -16.000 -0.690 8.898 1.00 0.00 C
139
+ ATOM 138 OE1 GLU A 9 -16.714 -1.405 9.633 1.00 0.00 O
140
+ ATOM 139 OE2 GLU A 9 -14.991 -0.078 9.311 1.00 0.00 O
141
+ ATOM 140 H GLU A 9 -18.122 -0.484 4.597 1.00 0.00 H
142
+ ATOM 141 HA GLU A 9 -16.141 -1.197 4.778 1.00 0.00 H
143
+ ATOM 142 HB2 GLU A 9 -16.998 -2.491 7.153 1.00 0.00 H
144
+ ATOM 143 HB3 GLU A 9 -15.499 -2.289 6.772 1.00 0.00 H
145
+ ATOM 144 HG2 GLU A 9 -15.752 0.044 6.998 1.00 0.00 H
146
+ ATOM 145 HG3 GLU A 9 -17.255 -0.151 7.366 1.00 0.00 H
147
+ ATOM 146 N GLU A 10 -15.631 -3.397 3.828 1.00 0.00 N
148
+ ATOM 147 CA GLU A 10 -15.440 -4.672 3.142 1.00 0.00 C
149
+ ATOM 148 C GLU A 10 -14.024 -4.763 2.573 1.00 0.00 C
150
+ ATOM 149 O GLU A 10 -13.817 -5.217 1.447 1.00 0.00 O
151
+ ATOM 150 CB GLU A 10 -16.477 -4.833 2.023 1.00 0.00 C
152
+ ATOM 151 CG GLU A 10 -16.494 -6.220 1.394 1.00 0.00 C
153
+ ATOM 152 CD GLU A 10 -16.942 -7.302 2.359 1.00 0.00 C
154
+ ATOM 153 OE1 GLU A 10 -17.282 -6.969 3.514 1.00 0.00 O
155
+ ATOM 154 OE2 GLU A 10 -16.957 -8.484 1.956 1.00 0.00 O
156
+ ATOM 155 H GLU A 10 -14.995 -2.831 3.708 1.00 0.00 H
157
+ ATOM 156 HA GLU A 10 -15.561 -5.390 3.783 1.00 0.00 H
158
+ ATOM 157 HB2 GLU A 10 -17.358 -4.638 2.380 1.00 0.00 H
159
+ ATOM 158 HB3 GLU A 10 -16.299 -4.176 1.332 1.00 0.00 H
160
+ ATOM 159 HG2 GLU A 10 -17.085 -6.214 0.625 1.00 0.00 H
161
+ ATOM 160 HG3 GLU A 10 -15.606 -6.432 1.067 1.00 0.00 H
162
+ ATOM 161 N GLU A 11 -13.052 -4.323 3.364 1.00 0.00 N
163
+ ATOM 162 CA GLU A 11 -11.653 -4.349 2.953 1.00 0.00 C
164
+ ATOM 163 C GLU A 11 -11.115 -5.776 2.923 1.00 0.00 C
165
+ ATOM 164 O GLU A 11 -11.452 -6.595 3.777 1.00 0.00 O
166
+ ATOM 165 CB GLU A 11 -10.805 -3.492 3.886 1.00 0.00 C
167
+ ATOM 166 CG GLU A 11 -11.130 -2.007 3.831 1.00 0.00 C
168
+ ATOM 167 CD GLU A 11 -12.540 -1.695 4.294 1.00 0.00 C
169
+ ATOM 168 OE1 GLU A 11 -12.862 -1.999 5.462 1.00 0.00 O
170
+ ATOM 169 OE2 GLU A 11 -13.322 -1.147 3.489 1.00 0.00 O
171
+ ATOM 170 H GLU A 11 -13.184 -4.002 4.151 1.00 0.00 H
172
+ ATOM 171 HA GLU A 11 -11.601 -3.984 2.056 1.00 0.00 H
173
+ ATOM 172 HB2 GLU A 11 -10.924 -3.806 4.796 1.00 0.00 H
174
+ ATOM 173 HB3 GLU A 11 -9.869 -3.617 3.663 1.00 0.00 H
175
+ ATOM 174 HG2 GLU A 11 -10.498 -1.521 4.384 1.00 0.00 H
176
+ ATOM 175 HG3 GLU A 11 -11.015 -1.689 2.922 1.00 0.00 H
177
+ ATOM 176 N GLU A 12 -10.273 -6.064 1.934 1.00 0.00 N
178
+ ATOM 177 CA GLU A 12 -9.684 -7.391 1.791 1.00 0.00 C
179
+ ATOM 178 C GLU A 12 -8.175 -7.297 1.585 1.00 0.00 C
180
+ ATOM 179 O GLU A 12 -7.684 -6.376 0.933 1.00 0.00 O
181
+ ATOM 180 CB GLU A 12 -10.331 -8.140 0.627 1.00 0.00 C
182
+ ATOM 181 CG GLU A 12 -11.816 -8.397 0.819 1.00 0.00 C
183
+ ATOM 182 CD GLU A 12 -12.428 -9.158 -0.340 1.00 0.00 C
184
+ ATOM 183 OE1 GLU A 12 -12.386 -8.642 -1.477 1.00 0.00 O
185
+ ATOM 184 OE2 GLU A 12 -12.948 -10.269 -0.112 1.00 0.00 O
186
+ ATOM 185 H GLU A 12 -10.029 -5.500 1.332 1.00 0.00 H
187
+ ATOM 186 HA GLU A 12 -9.850 -7.884 2.610 1.00 0.00 H
188
+ ATOM 187 HB2 GLU A 12 -10.201 -7.630 -0.188 1.00 0.00 H
189
+ ATOM 188 HB3 GLU A 12 -9.877 -8.988 0.506 1.00 0.00 H
190
+ ATOM 189 HG2 GLU A 12 -11.951 -8.898 1.638 1.00 0.00 H
191
+ ATOM 190 HG3 GLU A 12 -12.277 -7.550 0.925 1.00 0.00 H
192
+ ATOM 191 N GLU A 13 -7.450 -8.248 2.164 1.00 0.00 N
193
+ ATOM 192 CA GLU A 13 -5.992 -8.283 2.070 1.00 0.00 C
194
+ ATOM 193 C GLU A 13 -5.511 -8.664 0.669 1.00 0.00 C
195
+ ATOM 194 O GLU A 13 -4.956 -9.746 0.471 1.00 0.00 O
196
+ ATOM 195 CB GLU A 13 -5.423 -9.269 3.095 1.00 0.00 C
197
+ ATOM 196 CG GLU A 13 -5.755 -8.912 4.534 1.00 0.00 C
198
+ ATOM 197 CD GLU A 13 -5.203 -9.918 5.525 1.00 0.00 C
199
+ ATOM 198 OE1 GLU A 13 -3.967 -10.097 5.562 1.00 0.00 O
200
+ ATOM 199 OE2 GLU A 13 -6.006 -10.526 6.262 1.00 0.00 O
201
+ ATOM 200 H GLU A 13 -7.788 -8.892 2.623 1.00 0.00 H
202
+ ATOM 201 HA GLU A 13 -5.671 -7.387 2.258 1.00 0.00 H
203
+ ATOM 202 HB2 GLU A 13 -5.765 -10.156 2.903 1.00 0.00 H
204
+ ATOM 203 HB3 GLU A 13 -4.459 -9.308 2.994 1.00 0.00 H
205
+ ATOM 204 HG2 GLU A 13 -5.397 -8.033 4.737 1.00 0.00 H
206
+ ATOM 205 HG3 GLU A 13 -6.718 -8.857 4.636 1.00 0.00 H
207
+ ATOM 206 N TYR A 14 -5.707 -7.771 -0.298 1.00 0.00 N
208
+ ATOM 207 CA TYR A 14 -5.266 -8.026 -1.666 1.00 0.00 C
209
+ ATOM 208 C TYR A 14 -3.753 -8.203 -1.715 1.00 0.00 C
210
+ ATOM 209 O TYR A 14 -3.013 -7.474 -1.053 1.00 0.00 O
211
+ ATOM 210 CB TYR A 14 -5.685 -6.888 -2.602 1.00 0.00 C
212
+ ATOM 211 CG TYR A 14 -7.138 -6.935 -3.025 1.00 0.00 C
213
+ ATOM 212 CD1 TYR A 14 -8.159 -6.982 -2.085 1.00 0.00 C
214
+ ATOM 213 CD2 TYR A 14 -7.486 -6.935 -4.371 1.00 0.00 C
215
+ ATOM 214 CE1 TYR A 14 -9.485 -7.025 -2.474 1.00 0.00 C
216
+ ATOM 215 CE2 TYR A 14 -8.810 -6.978 -4.766 1.00 0.00 C
217
+ ATOM 216 CZ TYR A 14 -9.805 -7.023 -3.814 1.00 0.00 C
218
+ ATOM 217 OH TYR A 14 -11.124 -7.067 -4.203 1.00 0.00 O
219
+ ATOM 218 H TYR A 14 -6.093 -7.011 -0.182 1.00 0.00 H
220
+ ATOM 219 HA TYR A 14 -5.692 -8.844 -1.966 1.00 0.00 H
221
+ ATOM 220 HB2 TYR A 14 -5.514 -6.041 -2.161 1.00 0.00 H
222
+ ATOM 221 HB3 TYR A 14 -5.127 -6.913 -3.395 1.00 0.00 H
223
+ ATOM 222 HD1 TYR A 14 -7.947 -6.985 -1.179 1.00 0.00 H
224
+ ATOM 223 HD2 TYR A 14 -6.817 -6.906 -5.016 1.00 0.00 H
225
+ ATOM 224 HE1 TYR A 14 -10.159 -7.055 -1.833 1.00 0.00 H
226
+ ATOM 225 HE2 TYR A 14 -9.028 -6.977 -5.670 1.00 0.00 H
227
+ ATOM 226 HH TYR A 14 -11.586 -7.407 -3.590 1.00 0.00 H
228
+ ATOM 227 N VAL A 15 -3.300 -9.177 -2.499 1.00 0.00 N
229
+ ATOM 228 CA VAL A 15 -1.876 -9.454 -2.634 1.00 0.00 C
230
+ ATOM 229 C VAL A 15 -1.112 -8.210 -3.078 1.00 0.00 C
231
+ ATOM 230 O VAL A 15 -1.535 -7.503 -3.993 1.00 0.00 O
232
+ ATOM 231 CB VAL A 15 -1.624 -10.588 -3.645 1.00 0.00 C
233
+ ATOM 232 CG1 VAL A 15 -0.144 -10.931 -3.710 1.00 0.00 C
234
+ ATOM 233 CG2 VAL A 15 -2.449 -11.814 -3.284 1.00 0.00 C
235
+ ATOM 234 H VAL A 15 -3.807 -9.692 -2.965 1.00 0.00 H
236
+ ATOM 235 HA VAL A 15 -1.556 -9.729 -1.761 1.00 0.00 H
237
+ ATOM 236 HB VAL A 15 -1.900 -10.283 -4.524 1.00 0.00 H
238
+ ATOM 237 HG11 VAL A 15 -0.005 -11.646 -4.351 1.00 0.00 H
239
+ ATOM 238 HG12 VAL A 15 0.358 -10.148 -3.986 1.00 0.00 H
240
+ ATOM 239 HG13 VAL A 15 0.161 -11.218 -2.835 1.00 0.00 H
241
+ ATOM 240 HG21 VAL A 15 -2.280 -12.519 -3.929 1.00 0.00 H
242
+ ATOM 241 HG22 VAL A 15 -2.202 -12.121 -2.398 1.00 0.00 H
243
+ ATOM 242 HG23 VAL A 15 -3.391 -11.585 -3.295 1.00 0.00 H
244
+ ATOM 243 N VAL A 16 0.013 -7.947 -2.420 1.00 0.00 N
245
+ ATOM 244 CA VAL A 16 0.836 -6.787 -2.743 1.00 0.00 C
246
+ ATOM 245 C VAL A 16 2.217 -7.209 -3.229 1.00 0.00 C
247
+ ATOM 246 O VAL A 16 2.880 -8.036 -2.602 1.00 0.00 O
248
+ ATOM 247 CB VAL A 16 0.996 -5.861 -1.523 1.00 0.00 C
249
+ ATOM 248 CG1 VAL A 16 1.818 -4.633 -1.880 1.00 0.00 C
250
+ ATOM 249 CG2 VAL A 16 -0.366 -5.464 -0.979 1.00 0.00 C
251
+ ATOM 250 H VAL A 16 0.319 -8.432 -1.779 1.00 0.00 H
252
+ ATOM 251 HA VAL A 16 0.381 -6.306 -3.452 1.00 0.00 H
253
+ ATOM 252 HB VAL A 16 1.472 -6.345 -0.830 1.00 0.00 H
254
+ ATOM 253 HG11 VAL A 16 1.906 -4.064 -1.099 1.00 0.00 H
255
+ ATOM 254 HG12 VAL A 16 2.698 -4.909 -2.180 1.00 0.00 H
256
+ ATOM 255 HG13 VAL A 16 1.374 -4.141 -2.589 1.00 0.00 H
257
+ ATOM 256 HG21 VAL A 16 -0.251 -4.882 -0.212 1.00 0.00 H
258
+ ATOM 257 HG22 VAL A 16 -0.866 -4.997 -1.667 1.00 0.00 H
259
+ ATOM 258 HG23 VAL A 16 -0.852 -6.259 -0.711 1.00 0.00 H
260
+ ATOM 259 N GLU A 17 2.645 -6.634 -4.347 1.00 0.00 N
261
+ ATOM 260 CA GLU A 17 3.949 -6.950 -4.914 1.00 0.00 C
262
+ ATOM 261 C GLU A 17 5.064 -6.255 -4.138 1.00 0.00 C
263
+ ATOM 262 O GLU A 17 6.008 -6.898 -3.680 1.00 0.00 O
264
+ ATOM 263 CB GLU A 17 4.002 -6.535 -6.385 1.00 0.00 C
265
+ ATOM 264 CG GLU A 17 5.239 -7.040 -7.106 1.00 0.00 C
266
+ ATOM 265 CD GLU A 17 5.218 -8.540 -7.326 1.00 0.00 C
267
+ ATOM 266 OE1 GLU A 17 5.193 -9.288 -6.325 1.00 0.00 O
268
+ ATOM 267 OE2 GLU A 17 5.224 -8.968 -8.499 1.00 0.00 O
269
+ ATOM 268 H GLU A 17 2.193 -6.055 -4.794 1.00 0.00 H
270
+ ATOM 269 HA GLU A 17 4.081 -7.909 -4.849 1.00 0.00 H
271
+ ATOM 270 HB2 GLU A 17 3.212 -6.869 -6.838 1.00 0.00 H
272
+ ATOM 271 HB3 GLU A 17 3.974 -5.567 -6.443 1.00 0.00 H
273
+ ATOM 272 HG2 GLU A 17 5.314 -6.592 -7.963 1.00 0.00 H
274
+ ATOM 273 HG3 GLU A 17 6.027 -6.803 -6.592 1.00 0.00 H
275
+ ATOM 274 N LYS A 18 4.944 -4.934 -3.996 1.00 0.00 N
276
+ ATOM 275 CA LYS A 18 5.939 -4.137 -3.280 1.00 0.00 C
277
+ ATOM 276 C LYS A 18 5.573 -2.659 -3.320 1.00 0.00 C
278
+ ATOM 277 O LYS A 18 5.080 -2.167 -4.336 1.00 0.00 O
279
+ ATOM 278 CB LYS A 18 7.324 -4.325 -3.901 1.00 0.00 C
280
+ ATOM 279 CG LYS A 18 8.428 -3.583 -3.163 1.00 0.00 C
281
+ ATOM 280 CD LYS A 18 9.770 -3.720 -3.867 1.00 0.00 C
282
+ ATOM 281 CE LYS A 18 9.755 -3.060 -5.238 1.00 0.00 C
283
+ ATOM 282 NZ LYS A 18 9.438 -1.608 -5.152 1.00 0.00 N
284
+ ATOM 283 H LYS A 18 4.287 -4.478 -4.311 1.00 0.00 H
285
+ ATOM 284 HA LYS A 18 5.954 -4.439 -2.358 1.00 0.00 H
286
+ ATOM 285 HB2 LYS A 18 7.536 -5.271 -3.919 1.00 0.00 H
287
+ ATOM 286 HB3 LYS A 18 7.301 -4.022 -4.822 1.00 0.00 H
288
+ ATOM 287 HG2 LYS A 18 8.195 -2.644 -3.091 1.00 0.00 H
289
+ ATOM 288 HG3 LYS A 18 8.500 -3.927 -2.259 1.00 0.00 H
290
+ ATOM 289 HD2 LYS A 18 10.464 -3.318 -3.322 1.00 0.00 H
291
+ ATOM 290 HD3 LYS A 18 9.992 -4.660 -3.962 1.00 0.00 H
292
+ ATOM 291 HE2 LYS A 18 10.619 -3.177 -5.662 1.00 0.00 H
293
+ ATOM 292 HE3 LYS A 18 9.100 -3.501 -5.802 1.00 0.00 H
294
+ ATOM 293 HZ1 LYS A 18 9.495 -1.243 -5.962 1.00 0.00 H
295
+ ATOM 294 HZ2 LYS A 18 8.613 -1.502 -4.836 1.00 0.00 H
296
+ ATOM 295 HZ3 LYS A 18 10.017 -1.209 -4.606 1.00 0.00 H
297
+ ATOM 296 N VAL A 19 5.822 -1.945 -2.225 1.00 0.00 N
298
+ ATOM 297 CA VAL A 19 5.518 -0.522 -2.178 1.00 0.00 C
299
+ ATOM 298 C VAL A 19 6.409 0.231 -3.164 1.00 0.00 C
300
+ ATOM 299 O VAL A 19 7.626 0.037 -3.190 1.00 0.00 O
301
+ ATOM 300 CB VAL A 19 5.681 0.063 -0.753 1.00 0.00 C
302
+ ATOM 301 CG1 VAL A 19 5.113 -0.882 0.288 1.00 0.00 C
303
+ ATOM 302 CG2 VAL A 19 7.121 0.373 -0.441 1.00 0.00 C
304
+ ATOM 303 H VAL A 19 6.165 -2.265 -1.504 1.00 0.00 H
305
+ ATOM 304 HA VAL A 19 4.588 -0.411 -2.429 1.00 0.00 H
306
+ ATOM 305 HB VAL A 19 5.182 0.895 -0.726 1.00 0.00 H
307
+ ATOM 306 HG11 VAL A 19 5.226 -0.497 1.171 1.00 0.00 H
308
+ ATOM 307 HG12 VAL A 19 4.169 -1.024 0.116 1.00 0.00 H
309
+ ATOM 308 HG13 VAL A 19 5.581 -1.731 0.244 1.00 0.00 H
310
+ ATOM 309 HG21 VAL A 19 7.187 0.736 0.456 1.00 0.00 H
311
+ ATOM 310 HG22 VAL A 19 7.647 -0.440 -0.500 1.00 0.00 H
312
+ ATOM 311 HG23 VAL A 19 7.458 1.022 -1.078 1.00 0.00 H
313
+ ATOM 312 N LEU A 20 5.799 1.063 -3.997 1.00 0.00 N
314
+ ATOM 313 CA LEU A 20 6.547 1.811 -4.996 1.00 0.00 C
315
+ ATOM 314 C LEU A 20 7.252 3.016 -4.389 1.00 0.00 C
316
+ ATOM 315 O LEU A 20 8.406 3.293 -4.720 1.00 0.00 O
317
+ ATOM 316 CB LEU A 20 5.637 2.262 -6.143 1.00 0.00 C
318
+ ATOM 317 CG LEU A 20 5.039 1.136 -6.994 1.00 0.00 C
319
+ ATOM 318 CD1 LEU A 20 4.029 0.329 -6.194 1.00 0.00 C
320
+ ATOM 319 CD2 LEU A 20 4.397 1.700 -8.252 1.00 0.00 C
321
+ ATOM 320 H LEU A 20 4.951 1.209 -4.000 1.00 0.00 H
322
+ ATOM 321 HA LEU A 20 7.223 1.212 -5.349 1.00 0.00 H
323
+ ATOM 322 HB2 LEU A 20 4.910 2.786 -5.771 1.00 0.00 H
324
+ ATOM 323 HB3 LEU A 20 6.143 2.851 -6.724 1.00 0.00 H
325
+ ATOM 324 HG LEU A 20 5.759 0.542 -7.257 1.00 0.00 H
326
+ ATOM 325 HD11 LEU A 20 3.664 -0.376 -6.751 1.00 0.00 H
327
+ ATOM 326 HD12 LEU A 20 4.466 -0.063 -5.422 1.00 0.00 H
328
+ ATOM 327 HD13 LEU A 20 3.311 0.911 -5.898 1.00 0.00 H
329
+ ATOM 328 HD21 LEU A 20 4.024 0.975 -8.778 1.00 0.00 H
330
+ ATOM 329 HD22 LEU A 20 3.690 2.317 -8.006 1.00 0.00 H
331
+ ATOM 330 HD23 LEU A 20 5.066 2.168 -8.775 1.00 0.00 H
332
+ ATOM 331 N ASP A 21 6.562 3.742 -3.510 1.00 0.00 N
333
+ ATOM 332 CA ASP A 21 7.156 4.925 -2.888 1.00 0.00 C
334
+ ATOM 333 C ASP A 21 6.539 5.228 -1.522 1.00 0.00 C
335
+ ATOM 334 O ASP A 21 6.172 4.319 -0.776 1.00 0.00 O
336
+ ATOM 335 CB ASP A 21 6.994 6.138 -3.810 1.00 0.00 C
337
+ ATOM 336 CG ASP A 21 7.741 5.986 -5.121 1.00 0.00 C
338
+ ATOM 337 OD1 ASP A 21 8.984 5.867 -5.086 1.00 0.00 O
339
+ ATOM 338 OD2 ASP A 21 7.083 5.982 -6.182 1.00 0.00 O
340
+ ATOM 339 H ASP A 21 5.757 3.569 -3.262 1.00 0.00 H
341
+ ATOM 340 HA ASP A 21 8.098 4.739 -2.750 1.00 0.00 H
342
+ ATOM 341 HB2 ASP A 21 6.052 6.275 -3.994 1.00 0.00 H
343
+ ATOM 342 HB3 ASP A 21 7.312 6.932 -3.352 1.00 0.00 H
344
+ ATOM 343 N ARG A 22 6.446 6.520 -1.199 1.00 0.00 N
345
+ ATOM 344 CA ARG A 22 5.894 6.968 0.074 1.00 0.00 C
346
+ ATOM 345 C ARG A 22 5.650 8.475 0.052 1.00 0.00 C
347
+ ATOM 346 O ARG A 22 6.528 9.245 -0.340 1.00 0.00 O
348
+ ATOM 347 CB ARG A 22 6.858 6.627 1.212 1.00 0.00 C
349
+ ATOM 348 CG ARG A 22 6.452 7.213 2.553 1.00 0.00 C
350
+ ATOM 349 CD ARG A 22 7.555 7.049 3.588 1.00 0.00 C
351
+ ATOM 350 NE ARG A 22 8.791 7.716 3.183 1.00 0.00 N
352
+ ATOM 351 CZ ARG A 22 8.899 9.031 2.998 1.00 0.00 C
353
+ ATOM 352 NH1 ARG A 22 7.852 9.824 3.191 1.00 0.00 N
354
+ ATOM 353 NH2 ARG A 22 10.057 9.555 2.624 1.00 0.00 N
355
+ ATOM 354 H ARG A 22 6.702 7.159 -1.715 1.00 0.00 H
356
+ ATOM 355 HA ARG A 22 5.049 6.513 0.217 1.00 0.00 H
357
+ ATOM 356 HB2 ARG A 22 6.919 5.663 1.295 1.00 0.00 H
358
+ ATOM 357 HB3 ARG A 22 7.744 6.949 0.982 1.00 0.00 H
359
+ ATOM 358 HG2 ARG A 22 6.243 8.154 2.447 1.00 0.00 H
360
+ ATOM 359 HG3 ARG A 22 5.644 6.777 2.867 1.00 0.00 H
361
+ ATOM 360 HD2 ARG A 22 7.257 7.411 4.437 1.00 0.00 H
362
+ ATOM 361 HD3 ARG A 22 7.729 6.105 3.727 1.00 0.00 H
363
+ ATOM 362 HE ARG A 22 9.490 7.231 3.057 1.00 0.00 H
364
+ ATOM 363 HH11 ARG A 22 7.099 9.490 3.437 1.00 0.00 H
365
+ ATOM 364 HH12 ARG A 22 7.927 10.672 3.070 1.00 0.00 H
366
+ ATOM 365 HH21 ARG A 22 10.739 9.046 2.501 1.00 0.00 H
367
+ ATOM 366 HH22 ARG A 22 10.126 10.404 2.505 1.00 0.00 H
368
+ ATOM 367 N ARG A 23 4.463 8.893 0.480 1.00 0.00 N
369
+ ATOM 368 CA ARG A 23 4.131 10.315 0.508 1.00 0.00 C
370
+ ATOM 369 C ARG A 23 3.046 10.614 1.538 1.00 0.00 C
371
+ ATOM 370 O ARG A 23 2.054 9.893 1.640 1.00 0.00 O
372
+ ATOM 371 CB ARG A 23 3.682 10.793 -0.876 1.00 0.00 C
373
+ ATOM 372 CG ARG A 23 2.360 10.204 -1.338 1.00 0.00 C
374
+ ATOM 373 CD ARG A 23 1.991 10.697 -2.729 1.00 0.00 C
375
+ ATOM 374 NE ARG A 23 0.703 10.172 -3.176 1.00 0.00 N
376
+ ATOM 375 CZ ARG A 23 0.123 10.517 -4.321 1.00 0.00 C
377
+ ATOM 376 NH1 ARG A 23 0.707 11.393 -5.130 1.00 0.00 N
378
+ ATOM 377 NH2 ARG A 23 -1.046 9.991 -4.658 1.00 0.00 N
379
+ ATOM 378 H ARG A 23 3.837 8.372 0.758 1.00 0.00 H
380
+ ATOM 379 HA ARG A 23 4.934 10.796 0.764 1.00 0.00 H
381
+ ATOM 380 HB2 ARG A 23 3.608 11.760 -0.865 1.00 0.00 H
382
+ ATOM 381 HB3 ARG A 23 4.369 10.569 -1.523 1.00 0.00 H
383
+ ATOM 382 HG2 ARG A 23 2.418 9.236 -1.341 1.00 0.00 H
384
+ ATOM 383 HG3 ARG A 23 1.660 10.444 -0.711 1.00 0.00 H
385
+ ATOM 384 HD2 ARG A 23 1.961 11.667 -2.730 1.00 0.00 H
386
+ ATOM 385 HD3 ARG A 23 2.681 10.434 -3.357 1.00 0.00 H
387
+ ATOM 386 HE ARG A 23 0.297 9.608 -2.670 1.00 0.00 H
388
+ ATOM 387 HH11 ARG A 23 1.464 11.740 -4.914 1.00 0.00 H
389
+ ATOM 388 HH12 ARG A 23 0.328 11.614 -5.870 1.00 0.00 H
390
+ ATOM 389 HH21 ARG A 23 -1.430 9.426 -4.136 1.00 0.00 H
391
+ ATOM 390 HH22 ARG A 23 -1.421 10.215 -5.399 1.00 0.00 H
392
+ ATOM 391 N VAL A 24 3.239 11.693 2.290 1.00 0.00 N
393
+ ATOM 392 CA VAL A 24 2.273 12.106 3.301 1.00 0.00 C
394
+ ATOM 393 C VAL A 24 1.507 13.340 2.842 1.00 0.00 C
395
+ ATOM 394 O VAL A 24 2.062 14.224 2.190 1.00 0.00 O
396
+ ATOM 395 CB VAL A 24 2.945 12.391 4.661 1.00 0.00 C
397
+ ATOM 396 CG1 VAL A 24 1.986 13.104 5.604 1.00 0.00 C
398
+ ATOM 397 CG2 VAL A 24 3.427 11.098 5.292 1.00 0.00 C
399
+ ATOM 398 H VAL A 24 3.929 12.203 2.229 1.00 0.00 H
400
+ ATOM 399 HA VAL A 24 1.655 11.367 3.419 1.00 0.00 H
401
+ ATOM 400 HB VAL A 24 3.707 12.970 4.504 1.00 0.00 H
402
+ ATOM 401 HG11 VAL A 24 2.429 13.272 6.450 1.00 0.00 H
403
+ ATOM 402 HG12 VAL A 24 1.711 13.947 5.210 1.00 0.00 H
404
+ ATOM 403 HG13 VAL A 24 1.205 12.548 5.753 1.00 0.00 H
405
+ ATOM 404 HG21 VAL A 24 3.847 11.291 6.145 1.00 0.00 H
406
+ ATOM 405 HG22 VAL A 24 2.673 10.504 5.430 1.00 0.00 H
407
+ ATOM 406 HG23 VAL A 24 4.070 10.671 4.705 1.00 0.00 H
408
+ ATOM 407 N VAL A 25 0.228 13.390 3.190 1.00 0.00 N
409
+ ATOM 408 CA VAL A 25 -0.625 14.509 2.823 1.00 0.00 C
410
+ ATOM 409 C VAL A 25 -1.727 14.692 3.857 1.00 0.00 C
411
+ ATOM 410 O VAL A 25 -2.346 13.722 4.287 1.00 0.00 O
412
+ ATOM 411 CB VAL A 25 -1.246 14.308 1.425 1.00 0.00 C
413
+ ATOM 412 CG1 VAL A 25 -1.938 12.956 1.333 1.00 0.00 C
414
+ ATOM 413 CG2 VAL A 25 -2.214 15.436 1.098 1.00 0.00 C
415
+ ATOM 414 H VAL A 25 -0.169 12.777 3.645 1.00 0.00 H
416
+ ATOM 415 HA VAL A 25 -0.073 15.306 2.797 1.00 0.00 H
417
+ ATOM 416 HB VAL A 25 -0.531 14.326 0.770 1.00 0.00 H
418
+ ATOM 417 HG11 VAL A 25 -2.322 12.848 0.449 1.00 0.00 H
419
+ ATOM 418 HG12 VAL A 25 -1.292 12.250 1.493 1.00 0.00 H
420
+ ATOM 419 HG13 VAL A 25 -2.642 12.907 1.998 1.00 0.00 H
421
+ ATOM 420 HG21 VAL A 25 -2.593 15.292 0.217 1.00 0.00 H
422
+ ATOM 421 HG22 VAL A 25 -2.926 15.453 1.757 1.00 0.00 H
423
+ ATOM 422 HG23 VAL A 25 -1.741 16.283 1.111 1.00 0.00 H
424
+ ATOM 423 N LYS A 26 -1.943 15.942 4.263 1.00 0.00 N
425
+ ATOM 424 CA LYS A 26 -2.951 16.279 5.269 1.00 0.00 C
426
+ ATOM 425 C LYS A 26 -2.461 15.908 6.669 1.00 0.00 C
427
+ ATOM 426 O LYS A 26 -2.727 16.618 7.637 1.00 0.00 O
428
+ ATOM 427 CB LYS A 26 -4.287 15.577 4.983 1.00 0.00 C
429
+ ATOM 428 CG LYS A 26 -4.779 15.740 3.554 1.00 0.00 C
430
+ ATOM 429 CD LYS A 26 -6.206 15.244 3.396 1.00 0.00 C
431
+ ATOM 430 CE LYS A 26 -6.700 15.404 1.966 1.00 0.00 C
432
+ ATOM 431 NZ LYS A 26 -6.657 16.824 1.516 1.00 0.00 N
433
+ ATOM 432 H LYS A 26 -1.508 16.620 3.962 1.00 0.00 H
434
+ ATOM 433 HA LYS A 26 -3.095 17.237 5.226 1.00 0.00 H
435
+ ATOM 434 HB2 LYS A 26 -4.193 14.631 5.177 1.00 0.00 H
436
+ ATOM 435 HB3 LYS A 26 -4.960 15.925 5.589 1.00 0.00 H
437
+ ATOM 436 HG2 LYS A 26 -4.730 16.674 3.298 1.00 0.00 H
438
+ ATOM 437 HG3 LYS A 26 -4.197 15.250 2.952 1.00 0.00 H
439
+ ATOM 438 HD2 LYS A 26 -6.255 14.310 3.653 1.00 0.00 H
440
+ ATOM 439 HD3 LYS A 26 -6.788 15.735 3.997 1.00 0.00 H
441
+ ATOM 440 HE2 LYS A 26 -6.156 14.861 1.374 1.00 0.00 H
442
+ ATOM 441 HE3 LYS A 26 -7.609 15.072 1.900 1.00 0.00 H
443
+ ATOM 442 HZ1 LYS A 26 -7.132 16.913 0.769 1.00 0.00 H
444
+ ATOM 443 HZ2 LYS A 26 -7.000 17.347 2.149 1.00 0.00 H
445
+ ATOM 444 HZ3 LYS A 26 -5.813 17.061 1.361 1.00 0.00 H
446
+ ATOM 445 N GLY A 27 -1.747 14.787 6.766 1.00 0.00 N
447
+ ATOM 446 CA GLY A 27 -1.236 14.334 8.046 1.00 0.00 C
448
+ ATOM 447 C GLY A 27 -1.242 12.823 8.148 1.00 0.00 C
449
+ ATOM 448 O GLY A 27 -0.659 12.246 9.067 1.00 0.00 O
450
+ ATOM 449 H GLY A 27 -1.551 14.279 6.100 1.00 0.00 H
451
+ ATOM 450 HA2 GLY A 27 -0.332 14.663 8.169 1.00 0.00 H
452
+ ATOM 451 HA3 GLY A 27 -1.774 14.709 8.761 1.00 0.00 H
453
+ ATOM 452 N LYS A 28 -1.915 12.188 7.195 1.00 0.00 N
454
+ ATOM 453 CA LYS A 28 -2.025 10.738 7.152 1.00 0.00 C
455
+ ATOM 454 C LYS A 28 -0.767 10.106 6.570 1.00 0.00 C
456
+ ATOM 455 O LYS A 28 0.308 10.706 6.580 1.00 0.00 O
457
+ ATOM 456 CB LYS A 28 -3.251 10.353 6.320 1.00 0.00 C
458
+ ATOM 457 CG LYS A 28 -3.302 11.053 4.970 1.00 0.00 C
459
+ ATOM 458 CD LYS A 28 -4.616 10.803 4.245 1.00 0.00 C
460
+ ATOM 459 CE LYS A 28 -4.761 9.348 3.829 1.00 0.00 C
461
+ ATOM 460 NZ LYS A 28 -6.053 9.095 3.133 1.00 0.00 N
462
+ ATOM 461 H LYS A 28 -2.322 12.589 6.553 1.00 0.00 H
463
+ ATOM 462 HA LYS A 28 -2.127 10.404 8.057 1.00 0.00 H
464
+ ATOM 463 HB2 LYS A 28 -3.252 9.393 6.180 1.00 0.00 H
465
+ ATOM 464 HB3 LYS A 28 -4.054 10.567 6.820 1.00 0.00 H
466
+ ATOM 465 HG2 LYS A 28 -3.180 12.007 5.097 1.00 0.00 H
467
+ ATOM 466 HG3 LYS A 28 -2.566 10.744 4.419 1.00 0.00 H
468
+ ATOM 467 HD2 LYS A 28 -5.356 11.050 4.821 1.00 0.00 H
469
+ ATOM 468 HD3 LYS A 28 -4.666 11.371 3.460 1.00 0.00 H
470
+ ATOM 469 HE2 LYS A 28 -4.026 9.104 3.245 1.00 0.00 H
471
+ ATOM 470 HE3 LYS A 28 -4.700 8.780 4.613 1.00 0.00 H
472
+ ATOM 471 HZ1 LYS A 28 -6.428 8.358 3.461 1.00 0.00 H
473
+ ATOM 472 HZ2 LYS A 28 -6.599 9.787 3.259 1.00 0.00 H
474
+ ATOM 473 HZ3 LYS A 28 -5.905 8.989 2.262 1.00 0.00 H
475
+ ATOM 474 N VAL A 29 -0.917 8.889 6.061 1.00 0.00 N
476
+ ATOM 475 CA VAL A 29 0.192 8.151 5.466 1.00 0.00 C
477
+ ATOM 476 C VAL A 29 -0.319 7.248 4.350 1.00 0.00 C
478
+ ATOM 477 O VAL A 29 -1.364 6.620 4.490 1.00 0.00 O
479
+ ATOM 478 CB VAL A 29 0.925 7.276 6.507 1.00 0.00 C
480
+ ATOM 479 CG1 VAL A 29 2.124 6.586 5.879 1.00 0.00 C
481
+ ATOM 480 CG2 VAL A 29 1.354 8.097 7.712 1.00 0.00 C
482
+ ATOM 481 H VAL A 29 -1.666 8.466 6.050 1.00 0.00 H
483
+ ATOM 482 HA VAL A 29 0.815 8.806 5.115 1.00 0.00 H
484
+ ATOM 483 HB VAL A 29 0.304 6.597 6.813 1.00 0.00 H
485
+ ATOM 484 HG11 VAL A 29 2.571 6.042 6.546 1.00 0.00 H
486
+ ATOM 485 HG12 VAL A 29 1.827 6.021 5.149 1.00 0.00 H
487
+ ATOM 486 HG13 VAL A 29 2.741 7.253 5.540 1.00 0.00 H
488
+ ATOM 487 HG21 VAL A 29 1.811 7.524 8.348 1.00 0.00 H
489
+ ATOM 488 HG22 VAL A 29 1.953 8.804 7.425 1.00 0.00 H
490
+ ATOM 489 HG23 VAL A 29 0.572 8.488 8.133 1.00 0.00 H
491
+ ATOM 490 N GLU A 30 0.417 7.186 3.244 1.00 0.00 N
492
+ ATOM 491 CA GLU A 30 0.015 6.351 2.116 1.00 0.00 C
493
+ ATOM 492 C GLU A 30 1.221 5.896 1.298 1.00 0.00 C
494
+ ATOM 493 O GLU A 30 2.072 6.701 0.917 1.00 0.00 O
495
+ ATOM 494 CB GLU A 30 -0.977 7.102 1.226 1.00 0.00 C
496
+ ATOM 495 CG GLU A 30 -0.429 8.398 0.656 1.00 0.00 C
497
+ ATOM 496 CD GLU A 30 -1.475 9.183 -0.110 1.00 0.00 C
498
+ ATOM 497 OE1 GLU A 30 -2.494 9.570 0.502 1.00 0.00 O
499
+ ATOM 498 OE2 GLU A 30 -1.277 9.411 -1.322 1.00 0.00 O
500
+ ATOM 499 H GLU A 30 1.151 7.619 3.127 1.00 0.00 H
501
+ ATOM 500 HA GLU A 30 -0.417 5.559 2.473 1.00 0.00 H
502
+ ATOM 501 HB2 GLU A 30 -1.244 6.524 0.494 1.00 0.00 H
503
+ ATOM 502 HB3 GLU A 30 -1.776 7.297 1.740 1.00 0.00 H
504
+ ATOM 503 HG2 GLU A 30 -0.083 8.945 1.379 1.00 0.00 H
505
+ ATOM 504 HG3 GLU A 30 0.317 8.200 0.068 1.00 0.00 H
506
+ ATOM 505 N TYR A 31 1.277 4.594 1.028 1.00 0.00 N
507
+ ATOM 506 CA TYR A 31 2.365 4.008 0.249 1.00 0.00 C
508
+ ATOM 507 C TYR A 31 1.852 3.438 -1.065 1.00 0.00 C
509
+ ATOM 508 O TYR A 31 0.893 2.665 -1.084 1.00 0.00 O
510
+ ATOM 509 CB TYR A 31 3.064 2.899 1.038 1.00 0.00 C
511
+ ATOM 510 CG TYR A 31 3.966 3.401 2.142 1.00 0.00 C
512
+ ATOM 511 CD1 TYR A 31 3.454 4.105 3.223 1.00 0.00 C
513
+ ATOM 512 CD2 TYR A 31 5.335 3.168 2.098 1.00 0.00 C
514
+ ATOM 513 CE1 TYR A 31 4.281 4.561 4.232 1.00 0.00 C
515
+ ATOM 514 CE2 TYR A 31 6.168 3.622 3.102 1.00 0.00 C
516
+ ATOM 515 CZ TYR A 31 5.636 4.316 4.167 1.00 0.00 C
517
+ ATOM 516 OH TYR A 31 6.460 4.765 5.173 1.00 0.00 O
518
+ ATOM 517 H TYR A 31 0.687 4.027 1.291 1.00 0.00 H
519
+ ATOM 518 HA TYR A 31 3.000 4.717 0.061 1.00 0.00 H
520
+ ATOM 519 HB2 TYR A 31 2.391 2.316 1.423 1.00 0.00 H
521
+ ATOM 520 HB3 TYR A 31 3.588 2.360 0.425 1.00 0.00 H
522
+ ATOM 521 HD1 TYR A 31 2.540 4.272 3.269 1.00 0.00 H
523
+ ATOM 522 HD2 TYR A 31 5.696 2.699 1.381 1.00 0.00 H
524
+ ATOM 523 HE1 TYR A 31 3.925 5.031 4.951 1.00 0.00 H
525
+ ATOM 524 HE2 TYR A 31 7.083 3.460 3.059 1.00 0.00 H
526
+ ATOM 525 HH TYR A 31 6.081 4.656 5.915 1.00 0.00 H
527
+ ATOM 526 N LEU A 32 2.509 3.804 -2.158 1.00 0.00 N
528
+ ATOM 527 CA LEU A 32 2.131 3.303 -3.468 1.00 0.00 C
529
+ ATOM 528 C LEU A 32 2.302 1.791 -3.488 1.00 0.00 C
530
+ ATOM 529 O LEU A 32 3.250 1.270 -2.905 1.00 0.00 O
531
+ ATOM 530 CB LEU A 32 2.981 3.974 -4.552 1.00 0.00 C
532
+ ATOM 531 CG LEU A 32 2.601 3.631 -5.994 1.00 0.00 C
533
+ ATOM 532 CD1 LEU A 32 1.097 3.638 -6.170 1.00 0.00 C
534
+ ATOM 533 CD2 LEU A 32 3.245 4.617 -6.954 1.00 0.00 C
535
+ ATOM 534 H LEU A 32 3.179 4.344 -2.161 1.00 0.00 H
536
+ ATOM 535 HA LEU A 32 1.202 3.514 -3.650 1.00 0.00 H
537
+ ATOM 536 HB2 LEU A 32 2.922 4.935 -4.438 1.00 0.00 H
538
+ ATOM 537 HB3 LEU A 32 3.909 3.729 -4.411 1.00 0.00 H
539
+ ATOM 538 HG LEU A 32 2.927 2.739 -6.191 1.00 0.00 H
540
+ ATOM 539 HD11 LEU A 32 0.878 3.419 -7.089 1.00 0.00 H
541
+ ATOM 540 HD12 LEU A 32 0.699 2.982 -5.577 1.00 0.00 H
542
+ ATOM 541 HD13 LEU A 32 0.750 4.518 -5.957 1.00 0.00 H
543
+ ATOM 542 HD21 LEU A 32 2.998 4.391 -7.864 1.00 0.00 H
544
+ ATOM 543 HD22 LEU A 32 2.939 5.515 -6.750 1.00 0.00 H
545
+ ATOM 544 HD23 LEU A 32 4.210 4.576 -6.861 1.00 0.00 H
546
+ ATOM 545 N LEU A 33 1.369 1.077 -4.113 1.00 0.00 N
547
+ ATOM 546 CA LEU A 33 1.442 -0.381 -4.131 1.00 0.00 C
548
+ ATOM 547 C LEU A 33 0.961 -0.983 -5.443 1.00 0.00 C
549
+ ATOM 548 O LEU A 33 -0.125 -0.668 -5.928 1.00 0.00 O
550
+ ATOM 549 CB LEU A 33 0.617 -0.942 -2.971 1.00 0.00 C
551
+ ATOM 550 CG LEU A 33 1.154 -0.585 -1.587 1.00 0.00 C
552
+ ATOM 551 CD1 LEU A 33 0.191 -0.992 -0.494 1.00 0.00 C
553
+ ATOM 552 CD2 LEU A 33 2.488 -1.253 -1.363 1.00 0.00 C
554
+ ATOM 553 H LEU A 33 0.694 1.412 -4.527 1.00 0.00 H
555
+ ATOM 554 HA LEU A 33 2.376 -0.625 -4.036 1.00 0.00 H
556
+ ATOM 555 HB2 LEU A 33 -0.293 -0.615 -3.047 1.00 0.00 H
557
+ ATOM 556 HB3 LEU A 33 0.579 -1.908 -3.052 1.00 0.00 H
558
+ ATOM 557 HG LEU A 33 1.260 0.379 -1.551 1.00 0.00 H
559
+ ATOM 558 HD11 LEU A 33 0.561 -0.752 0.370 1.00 0.00 H
560
+ ATOM 559 HD12 LEU A 33 -0.655 -0.535 -0.621 1.00 0.00 H
561
+ ATOM 560 HD13 LEU A 33 0.048 -1.951 -0.529 1.00 0.00 H
562
+ ATOM 561 HD21 LEU A 33 2.822 -1.021 -0.482 1.00 0.00 H
563
+ ATOM 562 HD22 LEU A 33 2.383 -2.215 -1.426 1.00 0.00 H
564
+ ATOM 563 HD23 LEU A 33 3.118 -0.952 -2.037 1.00 0.00 H
565
+ ATOM 564 N LYS A 34 1.777 -1.881 -5.996 1.00 0.00 N
566
+ ATOM 565 CA LYS A 34 1.435 -2.564 -7.236 1.00 0.00 C
567
+ ATOM 566 C LYS A 34 0.541 -3.758 -6.922 1.00 0.00 C
568
+ ATOM 567 O LYS A 34 0.908 -4.618 -6.121 1.00 0.00 O
569
+ ATOM 568 CB LYS A 34 2.704 -3.027 -7.956 1.00 0.00 C
570
+ ATOM 569 CG LYS A 34 2.456 -3.548 -9.364 1.00 0.00 C
571
+ ATOM 570 CD LYS A 34 1.947 -2.449 -10.287 1.00 0.00 C
572
+ ATOM 571 CE LYS A 34 2.960 -1.322 -10.429 1.00 0.00 C
573
+ ATOM 572 NZ LYS A 34 2.458 -0.228 -11.307 1.00 0.00 N
574
+ ATOM 573 H LYS A 34 2.537 -2.108 -5.664 1.00 0.00 H
575
+ ATOM 574 HA LYS A 34 0.961 -1.951 -7.819 1.00 0.00 H
576
+ ATOM 575 HB2 LYS A 34 3.329 -2.287 -8.000 1.00 0.00 H
577
+ ATOM 576 HB3 LYS A 34 3.127 -3.725 -7.432 1.00 0.00 H
578
+ ATOM 577 HG2 LYS A 34 3.278 -3.918 -9.722 1.00 0.00 H
579
+ ATOM 578 HG3 LYS A 34 1.810 -4.271 -9.333 1.00 0.00 H
580
+ ATOM 579 HD2 LYS A 34 1.754 -2.823 -11.161 1.00 0.00 H
581
+ ATOM 580 HD3 LYS A 34 1.114 -2.094 -9.940 1.00 0.00 H
582
+ ATOM 581 HE2 LYS A 34 3.168 -0.963 -9.552 1.00 0.00 H
583
+ ATOM 582 HE3 LYS A 34 3.786 -1.675 -10.794 1.00 0.00 H
584
+ ATOM 583 HZ1 LYS A 34 2.962 -0.179 -12.039 1.00 0.00 H
585
+ ATOM 584 HZ2 LYS A 34 1.615 -0.396 -11.539 1.00 0.00 H
586
+ ATOM 585 HZ3 LYS A 34 2.496 0.546 -10.869 1.00 0.00 H
587
+ ATOM 586 N TRP A 35 -0.637 -3.797 -7.530 1.00 0.00 N
588
+ ATOM 587 CA TRP A 35 -1.578 -4.882 -7.278 1.00 0.00 C
589
+ ATOM 588 C TRP A 35 -1.554 -5.916 -8.400 1.00 0.00 C
590
+ ATOM 589 O TRP A 35 -1.603 -5.574 -9.580 1.00 0.00 O
591
+ ATOM 590 CB TRP A 35 -2.984 -4.309 -7.093 1.00 0.00 C
592
+ ATOM 591 CG TRP A 35 -2.989 -3.096 -6.213 1.00 0.00 C
593
+ ATOM 592 CD1 TRP A 35 -3.001 -1.793 -6.618 1.00 0.00 C
594
+ ATOM 593 CD2 TRP A 35 -2.934 -3.072 -4.781 1.00 0.00 C
595
+ ATOM 594 NE1 TRP A 35 -2.975 -0.960 -5.526 1.00 0.00 N
596
+ ATOM 595 CE2 TRP A 35 -2.932 -1.721 -4.387 1.00 0.00 C
597
+ ATOM 596 CE3 TRP A 35 -2.894 -4.062 -3.795 1.00 0.00 C
598
+ ATOM 597 CZ2 TRP A 35 -2.887 -1.335 -3.049 1.00 0.00 C
599
+ ATOM 598 CZ3 TRP A 35 -2.849 -3.676 -2.468 1.00 0.00 C
600
+ ATOM 599 CH2 TRP A 35 -2.847 -2.324 -2.105 1.00 0.00 C
601
+ ATOM 600 H TRP A 35 -0.912 -3.206 -8.092 1.00 0.00 H
602
+ ATOM 601 HA TRP A 35 -1.311 -5.338 -6.464 1.00 0.00 H
603
+ ATOM 602 HB2 TRP A 35 -3.355 -4.080 -7.960 1.00 0.00 H
604
+ ATOM 603 HB3 TRP A 35 -3.560 -4.988 -6.709 1.00 0.00 H
605
+ ATOM 604 HD1 TRP A 35 -3.023 -1.510 -7.504 1.00 0.00 H
606
+ ATOM 605 HE1 TRP A 35 -2.984 -0.100 -5.553 1.00 0.00 H
607
+ ATOM 606 HE3 TRP A 35 -2.898 -4.963 -4.027 1.00 0.00 H
608
+ ATOM 607 HZ2 TRP A 35 -2.884 -0.437 -2.806 1.00 0.00 H
609
+ ATOM 608 HZ3 TRP A 35 -2.820 -4.327 -1.804 1.00 0.00 H
610
+ ATOM 609 HH2 TRP A 35 -2.818 -2.094 -1.204 1.00 0.00 H
611
+ ATOM 610 N LYS A 36 -1.465 -7.185 -8.011 1.00 0.00 N
612
+ ATOM 611 CA LYS A 36 -1.420 -8.288 -8.965 1.00 0.00 C
613
+ ATOM 612 C LYS A 36 -2.733 -8.419 -9.732 1.00 0.00 C
614
+ ATOM 613 O LYS A 36 -3.811 -8.185 -9.185 1.00 0.00 O
615
+ ATOM 614 CB LYS A 36 -1.109 -9.599 -8.241 1.00 0.00 C
616
+ ATOM 615 CG LYS A 36 -1.020 -10.803 -9.166 1.00 0.00 C
617
+ ATOM 616 CD LYS A 36 -0.745 -12.092 -8.401 1.00 0.00 C
618
+ ATOM 617 CE LYS A 36 0.660 -12.124 -7.814 1.00 0.00 C
619
+ ATOM 618 NZ LYS A 36 0.848 -11.117 -6.732 1.00 0.00 N
620
+ ATOM 619 H LYS A 36 -1.429 -7.430 -7.187 1.00 0.00 H
621
+ ATOM 620 HA LYS A 36 -0.716 -8.097 -9.604 1.00 0.00 H
622
+ ATOM 621 HB2 LYS A 36 -0.269 -9.505 -7.765 1.00 0.00 H
623
+ ATOM 622 HB3 LYS A 36 -1.796 -9.762 -7.576 1.00 0.00 H
624
+ ATOM 623 HG2 LYS A 36 -1.850 -10.892 -9.660 1.00 0.00 H
625
+ ATOM 624 HG3 LYS A 36 -0.316 -10.658 -9.817 1.00 0.00 H
626
+ ATOM 625 HD2 LYS A 36 -1.394 -12.187 -7.687 1.00 0.00 H
627
+ ATOM 626 HD3 LYS A 36 -0.863 -12.850 -8.995 1.00 0.00 H
628
+ ATOM 627 HE2 LYS A 36 0.841 -13.010 -7.463 1.00 0.00 H
629
+ ATOM 628 HE3 LYS A 36 1.306 -11.961 -8.519 1.00 0.00 H
630
+ ATOM 629 HZ1 LYS A 36 1.380 -11.453 -6.103 1.00 0.00 H
631
+ ATOM 630 HZ2 LYS A 36 1.217 -10.382 -7.071 1.00 0.00 H
632
+ ATOM 631 HZ3 LYS A 36 0.059 -10.914 -6.375 1.00 0.00 H
633
+ ATOM 632 N GLY A 37 -2.627 -8.804 -11.000 1.00 0.00 N
634
+ ATOM 633 CA GLY A 37 -3.802 -8.970 -11.834 1.00 0.00 C
635
+ ATOM 634 C GLY A 37 -4.324 -7.656 -12.381 1.00 0.00 C
636
+ ATOM 635 O GLY A 37 -4.576 -7.535 -13.579 1.00 0.00 O
637
+ ATOM 636 H GLY A 37 -1.881 -8.973 -11.393 1.00 0.00 H
638
+ ATOM 637 HA2 GLY A 37 -3.588 -9.561 -12.573 1.00 0.00 H
639
+ ATOM 638 HA3 GLY A 37 -4.501 -9.402 -11.318 1.00 0.00 H
640
+ ATOM 639 N PHE A 38 -4.484 -6.672 -11.504 1.00 0.00 N
641
+ ATOM 640 CA PHE A 38 -4.977 -5.363 -11.912 1.00 0.00 C
642
+ ATOM 641 C PHE A 38 -3.900 -4.587 -12.662 1.00 0.00 C
643
+ ATOM 642 O PHE A 38 -2.726 -4.618 -12.291 1.00 0.00 O
644
+ ATOM 643 CB PHE A 38 -5.461 -4.562 -10.700 1.00 0.00 C
645
+ ATOM 644 CG PHE A 38 -6.620 -5.198 -9.982 1.00 0.00 C
646
+ ATOM 645 CD1 PHE A 38 -6.471 -6.410 -9.327 1.00 0.00 C
647
+ ATOM 646 CD2 PHE A 38 -7.863 -4.586 -9.972 1.00 0.00 C
648
+ ATOM 647 CE1 PHE A 38 -7.538 -6.999 -8.674 1.00 0.00 C
649
+ ATOM 648 CE2 PHE A 38 -8.934 -5.169 -9.320 1.00 0.00 C
650
+ ATOM 649 CZ PHE A 38 -8.770 -6.377 -8.671 1.00 0.00 C
651
+ ATOM 650 H PHE A 38 -4.312 -6.743 -10.664 1.00 0.00 H
652
+ ATOM 651 HA PHE A 38 -5.728 -5.501 -12.510 1.00 0.00 H
653
+ ATOM 652 HB2 PHE A 38 -4.725 -4.454 -10.078 1.00 0.00 H
654
+ ATOM 653 HB3 PHE A 38 -5.719 -3.673 -10.991 1.00 0.00 H
655
+ ATOM 654 HD1 PHE A 38 -5.643 -6.833 -9.327 1.00 0.00 H
656
+ ATOM 655 HD2 PHE A 38 -7.978 -3.773 -10.409 1.00 0.00 H
657
+ ATOM 656 HE1 PHE A 38 -7.426 -7.813 -8.238 1.00 0.00 H
658
+ ATOM 657 HE2 PHE A 38 -9.763 -4.748 -9.319 1.00 0.00 H
659
+ ATOM 658 HZ PHE A 38 -9.489 -6.771 -8.232 1.00 0.00 H
660
+ ATOM 659 N SER A 39 -4.311 -3.895 -13.720 1.00 0.00 N
661
+ ATOM 660 CA SER A 39 -3.389 -3.110 -14.532 1.00 0.00 C
662
+ ATOM 661 C SER A 39 -2.605 -2.123 -13.673 1.00 0.00 C
663
+ ATOM 662 O SER A 39 -3.132 -1.572 -12.708 1.00 0.00 O
664
+ ATOM 663 CB SER A 39 -4.153 -2.357 -15.623 1.00 0.00 C
665
+ ATOM 664 OG SER A 39 -5.107 -1.474 -15.060 1.00 0.00 O
666
+ ATOM 665 H SER A 39 -5.128 -3.867 -13.986 1.00 0.00 H
667
+ ATOM 666 HA SER A 39 -2.760 -3.721 -14.946 1.00 0.00 H
668
+ ATOM 667 HB2 SER A 39 -3.529 -1.857 -16.172 1.00 0.00 H
669
+ ATOM 668 HB3 SER A 39 -4.599 -2.991 -16.206 1.00 0.00 H
670
+ ATOM 669 HG SER A 39 -4.929 -1.349 -14.249 1.00 0.00 H
671
+ ATOM 670 N ASP A 40 -1.343 -1.910 -14.033 1.00 0.00 N
672
+ ATOM 671 CA ASP A 40 -0.479 -0.991 -13.300 1.00 0.00 C
673
+ ATOM 672 C ASP A 40 -1.106 0.398 -13.204 1.00 0.00 C
674
+ ATOM 673 O ASP A 40 -0.893 1.119 -12.230 1.00 0.00 O
675
+ ATOM 674 CB ASP A 40 0.898 -0.904 -13.964 1.00 0.00 C
676
+ ATOM 675 CG ASP A 40 0.828 -0.514 -15.431 1.00 0.00 C
677
+ ATOM 676 OD1 ASP A 40 -0.294 -0.355 -15.956 1.00 0.00 O
678
+ ATOM 677 OD2 ASP A 40 1.899 -0.373 -16.057 1.00 0.00 O
679
+ ATOM 678 H ASP A 40 -0.965 -2.292 -14.705 1.00 0.00 H
680
+ ATOM 679 HA ASP A 40 -0.372 -1.338 -12.400 1.00 0.00 H
681
+ ATOM 680 HB2 ASP A 40 1.440 -0.256 -13.488 1.00 0.00 H
682
+ ATOM 681 HB3 ASP A 40 1.345 -1.761 -13.884 1.00 0.00 H
683
+ ATOM 682 N GLU A 41 -1.878 0.768 -14.221 1.00 0.00 N
684
+ ATOM 683 CA GLU A 41 -2.533 2.067 -14.254 1.00 0.00 C
685
+ ATOM 684 C GLU A 41 -3.442 2.258 -13.042 1.00 0.00 C
686
+ ATOM 685 O GLU A 41 -3.653 3.382 -12.586 1.00 0.00 O
687
+ ATOM 686 CB GLU A 41 -3.341 2.210 -15.544 1.00 0.00 C
688
+ ATOM 687 CG GLU A 41 -2.499 2.099 -16.805 1.00 0.00 C
689
+ ATOM 688 CD GLU A 41 -3.319 2.262 -18.071 1.00 0.00 C
690
+ ATOM 689 OE1 GLU A 41 -3.937 3.333 -18.244 1.00 0.00 O
691
+ ATOM 690 OE2 GLU A 41 -3.341 1.319 -18.889 1.00 0.00 O
692
+ ATOM 691 H GLU A 41 -2.035 0.274 -14.907 1.00 0.00 H
693
+ ATOM 692 HA GLU A 41 -1.848 2.753 -14.226 1.00 0.00 H
694
+ ATOM 693 HB2 GLU A 41 -4.030 1.527 -15.563 1.00 0.00 H
695
+ ATOM 694 HB3 GLU A 41 -3.793 3.068 -15.540 1.00 0.00 H
696
+ ATOM 695 HG2 GLU A 41 -1.803 2.774 -16.785 1.00 0.00 H
697
+ ATOM 696 HG3 GLU A 41 -2.056 1.236 -16.819 1.00 0.00 H
698
+ ATOM 697 N ASP A 42 -3.988 1.155 -12.538 1.00 0.00 N
699
+ ATOM 698 CA ASP A 42 -4.886 1.196 -11.385 1.00 0.00 C
700
+ ATOM 699 C ASP A 42 -4.117 1.396 -10.074 1.00 0.00 C
701
+ ATOM 700 O ASP A 42 -4.426 0.769 -9.061 1.00 0.00 O
702
+ ATOM 701 CB ASP A 42 -5.711 -0.094 -11.320 1.00 0.00 C
703
+ ATOM 702 CG ASP A 42 -6.802 -0.033 -10.269 1.00 0.00 C
704
+ ATOM 703 OD1 ASP A 42 -7.674 0.855 -10.369 1.00 0.00 O
705
+ ATOM 704 OD2 ASP A 42 -6.786 -0.875 -9.347 1.00 0.00 O
706
+ ATOM 705 H ASP A 42 -3.850 0.366 -12.852 1.00 0.00 H
707
+ ATOM 706 HA ASP A 42 -5.479 1.955 -11.497 1.00 0.00 H
708
+ ATOM 707 HB2 ASP A 42 -6.111 -0.263 -12.188 1.00 0.00 H
709
+ ATOM 708 HB3 ASP A 42 -5.123 -0.841 -11.128 1.00 0.00 H
710
+ ATOM 709 N ASN A 43 -3.120 2.277 -10.096 1.00 0.00 N
711
+ ATOM 710 CA ASN A 43 -2.323 2.562 -8.905 1.00 0.00 C
712
+ ATOM 711 C ASN A 43 -3.134 3.333 -7.870 1.00 0.00 C
713
+ ATOM 712 O ASN A 43 -3.941 4.197 -8.216 1.00 0.00 O
714
+ ATOM 713 CB ASN A 43 -1.068 3.360 -9.272 1.00 0.00 C
715
+ ATOM 714 CG ASN A 43 0.036 2.496 -9.859 1.00 0.00 C
716
+ ATOM 715 OD1 ASN A 43 1.011 3.009 -10.407 1.00 0.00 O
717
+ ATOM 716 ND2 ASN A 43 -0.094 1.181 -9.721 1.00 0.00 N
718
+ ATOM 717 H ASN A 43 -2.888 2.722 -10.794 1.00 0.00 H
719
+ ATOM 718 HA ASN A 43 -2.059 1.711 -8.521 1.00 0.00 H
720
+ ATOM 719 HB2 ASN A 43 -1.305 4.050 -9.911 1.00 0.00 H
721
+ ATOM 720 HB3 ASN A 43 -0.734 3.809 -8.480 1.00 0.00 H
722
+ ATOM 721 HD21 ASN A 43 0.517 0.655 -10.020 1.00 0.00 H
723
+ ATOM 722 HD22 ASN A 43 -0.789 0.856 -9.332 1.00 0.00 H
724
+ ATOM 723 N THR A 44 -2.906 3.024 -6.599 1.00 0.00 N
725
+ ATOM 724 CA THR A 44 -3.604 3.696 -5.511 1.00 0.00 C
726
+ ATOM 725 C THR A 44 -2.825 3.571 -4.206 1.00 0.00 C
727
+ ATOM 726 O THR A 44 -2.547 2.469 -3.732 1.00 0.00 O
728
+ ATOM 727 CB THR A 44 -5.030 3.140 -5.315 1.00 0.00 C
729
+ ATOM 728 OG1 THR A 44 -5.666 3.801 -4.215 1.00 0.00 O
730
+ ATOM 729 CG2 THR A 44 -5.008 1.638 -5.065 1.00 0.00 C
731
+ ATOM 730 H THR A 44 -2.346 2.423 -6.344 1.00 0.00 H
732
+ ATOM 731 HA THR A 44 -3.672 4.632 -5.756 1.00 0.00 H
733
+ ATOM 732 HB THR A 44 -5.530 3.306 -6.129 1.00 0.00 H
734
+ ATOM 733 HG1 THR A 44 -5.817 3.245 -3.603 1.00 0.00 H
735
+ ATOM 734 HG21 THR A 44 -5.915 1.316 -4.946 1.00 0.00 H
736
+ ATOM 735 HG22 THR A 44 -4.604 1.189 -5.824 1.00 0.00 H
737
+ ATOM 736 HG23 THR A 44 -4.491 1.450 -4.266 1.00 0.00 H
738
+ ATOM 737 N TRP A 45 -2.470 4.716 -3.637 1.00 0.00 N
739
+ ATOM 738 CA TRP A 45 -1.717 4.760 -2.395 1.00 0.00 C
740
+ ATOM 739 C TRP A 45 -2.629 4.474 -1.208 1.00 0.00 C
741
+ ATOM 740 O TRP A 45 -3.517 5.266 -0.891 1.00 0.00 O
742
+ ATOM 741 CB TRP A 45 -1.058 6.128 -2.249 1.00 0.00 C
743
+ ATOM 742 CG TRP A 45 -0.204 6.497 -3.428 1.00 0.00 C
744
+ ATOM 743 CD1 TRP A 45 -0.589 6.579 -4.738 1.00 0.00 C
745
+ ATOM 744 CD2 TRP A 45 1.186 6.817 -3.402 1.00 0.00 C
746
+ ATOM 745 NE1 TRP A 45 0.481 6.931 -5.523 1.00 0.00 N
747
+ ATOM 746 CE2 TRP A 45 1.581 7.088 -4.725 1.00 0.00 C
748
+ ATOM 747 CE3 TRP A 45 2.133 6.903 -2.386 1.00 0.00 C
749
+ ATOM 748 CZ2 TRP A 45 2.887 7.441 -5.052 1.00 0.00 C
750
+ ATOM 749 CZ3 TRP A 45 3.425 7.250 -2.710 1.00 0.00 C
751
+ ATOM 750 CH2 TRP A 45 3.794 7.516 -4.033 1.00 0.00 C
752
+ ATOM 751 H TRP A 45 -2.660 5.489 -3.962 1.00 0.00 H
753
+ ATOM 752 HA TRP A 45 -1.028 4.077 -2.415 1.00 0.00 H
754
+ ATOM 753 HB2 TRP A 45 -1.746 6.802 -2.131 1.00 0.00 H
755
+ ATOM 754 HB3 TRP A 45 -0.513 6.135 -1.447 1.00 0.00 H
756
+ ATOM 755 HD1 TRP A 45 -1.450 6.420 -5.051 1.00 0.00 H
757
+ ATOM 756 HE1 TRP A 45 0.463 7.036 -6.376 1.00 0.00 H
758
+ ATOM 757 HE3 TRP A 45 1.897 6.729 -1.503 1.00 0.00 H
759
+ ATOM 758 HZ2 TRP A 45 3.133 7.619 -5.931 1.00 0.00 H
760
+ ATOM 759 HZ3 TRP A 45 4.064 7.309 -2.037 1.00 0.00 H
761
+ ATOM 760 HH2 TRP A 45 4.674 7.749 -4.223 1.00 0.00 H
762
+ ATOM 761 N GLU A 46 -2.415 3.334 -0.561 1.00 0.00 N
763
+ ATOM 762 CA GLU A 46 -3.229 2.939 0.582 1.00 0.00 C
764
+ ATOM 763 C GLU A 46 -2.573 3.340 1.900 1.00 0.00 C
765
+ ATOM 764 O GLU A 46 -1.348 3.325 2.022 1.00 0.00 O
766
+ ATOM 765 CB GLU A 46 -3.474 1.430 0.562 1.00 0.00 C
767
+ ATOM 766 CG GLU A 46 -4.080 0.928 -0.739 1.00 0.00 C
768
+ ATOM 767 CD GLU A 46 -5.427 1.557 -1.050 1.00 0.00 C
769
+ ATOM 768 OE1 GLU A 46 -5.944 2.319 -0.204 1.00 0.00 O
770
+ ATOM 769 OE2 GLU A 46 -5.972 1.278 -2.138 1.00 0.00 O
771
+ ATOM 770 H GLU A 46 -1.799 2.772 -0.770 1.00 0.00 H
772
+ ATOM 771 HA GLU A 46 -4.078 3.404 0.514 1.00 0.00 H
773
+ ATOM 772 HB2 GLU A 46 -2.633 0.972 0.716 1.00 0.00 H
774
+ ATOM 773 HB3 GLU A 46 -4.064 1.196 1.296 1.00 0.00 H
775
+ ATOM 774 HG2 GLU A 46 -3.467 1.113 -1.468 1.00 0.00 H
776
+ ATOM 775 HG3 GLU A 46 -4.182 -0.035 -0.691 1.00 0.00 H
777
+ ATOM 776 N PRO A 47 -3.385 3.698 2.912 1.00 0.00 N
778
+ ATOM 777 CA PRO A 47 -2.875 4.094 4.226 1.00 0.00 C
779
+ ATOM 778 C PRO A 47 -2.008 3.006 4.850 1.00 0.00 C
780
+ ATOM 779 O PRO A 47 -2.358 1.826 4.819 1.00 0.00 O
781
+ ATOM 780 CB PRO A 47 -4.139 4.327 5.065 1.00 0.00 C
782
+ ATOM 781 CG PRO A 47 -5.246 3.677 4.306 1.00 0.00 C
783
+ ATOM 782 CD PRO A 47 -4.855 3.737 2.860 1.00 0.00 C
784
+ ATOM 783 HA PRO A 47 -2.307 4.878 4.171 1.00 0.00 H
785
+ ATOM 784 HB2 PRO A 47 -4.047 3.940 5.950 1.00 0.00 H
786
+ ATOM 785 HB3 PRO A 47 -4.308 5.274 5.186 1.00 0.00 H
787
+ ATOM 786 HG2 PRO A 47 -5.370 2.759 4.593 1.00 0.00 H
788
+ ATOM 787 HG3 PRO A 47 -6.086 4.138 4.457 1.00 0.00 H
789
+ ATOM 788 HD2 PRO A 47 -5.217 2.989 2.359 1.00 0.00 H
790
+ ATOM 789 HD3 PRO A 47 -5.178 4.546 2.434 1.00 0.00 H
791
+ ATOM 790 N GLU A 48 -0.870 3.413 5.402 1.00 0.00 N
792
+ ATOM 791 CA GLU A 48 0.064 2.480 6.023 1.00 0.00 C
793
+ ATOM 792 C GLU A 48 -0.620 1.627 7.088 1.00 0.00 C
794
+ ATOM 793 O GLU A 48 -0.383 0.422 7.173 1.00 0.00 O
795
+ ATOM 794 CB GLU A 48 1.240 3.245 6.637 1.00 0.00 C
796
+ ATOM 795 CG GLU A 48 2.267 2.351 7.312 1.00 0.00 C
797
+ ATOM 796 CD GLU A 48 3.394 3.137 7.952 1.00 0.00 C
798
+ ATOM 797 OE1 GLU A 48 4.093 3.873 7.226 1.00 0.00 O
799
+ ATOM 798 OE2 GLU A 48 3.576 3.017 9.183 1.00 0.00 O
800
+ ATOM 799 H GLU A 48 -0.618 4.235 5.427 1.00 0.00 H
801
+ ATOM 800 HA GLU A 48 0.393 1.884 5.332 1.00 0.00 H
802
+ ATOM 801 HB2 GLU A 48 1.679 3.760 5.942 1.00 0.00 H
803
+ ATOM 802 HB3 GLU A 48 0.899 3.879 7.287 1.00 0.00 H
804
+ ATOM 803 HG2 GLU A 48 1.827 1.813 7.989 1.00 0.00 H
805
+ ATOM 804 HG3 GLU A 48 2.636 1.737 6.658 1.00 0.00 H
806
+ ATOM 805 N GLU A 49 -1.465 2.256 7.901 1.00 0.00 N
807
+ ATOM 806 CA GLU A 49 -2.176 1.545 8.960 1.00 0.00 C
808
+ ATOM 807 C GLU A 49 -2.953 0.360 8.392 1.00 0.00 C
809
+ ATOM 808 O GLU A 49 -2.939 -0.733 8.959 1.00 0.00 O
810
+ ATOM 809 CB GLU A 49 -3.123 2.494 9.698 1.00 0.00 C
811
+ ATOM 810 CG GLU A 49 -4.147 3.165 8.796 1.00 0.00 C
812
+ ATOM 811 CD GLU A 49 -5.066 4.102 9.555 1.00 0.00 C
813
+ ATOM 812 OE1 GLU A 49 -4.558 5.066 10.165 1.00 0.00 O
814
+ ATOM 813 OE2 GLU A 49 -6.293 3.871 9.539 1.00 0.00 O
815
+ ATOM 814 H GLU A 49 -1.641 3.097 7.856 1.00 0.00 H
816
+ ATOM 815 HA GLU A 49 -1.520 1.206 9.589 1.00 0.00 H
817
+ ATOM 816 HB2 GLU A 49 -3.589 1.999 10.390 1.00 0.00 H
818
+ ATOM 817 HB3 GLU A 49 -2.599 3.178 10.143 1.00 0.00 H
819
+ ATOM 818 HG2 GLU A 49 -3.686 3.661 8.102 1.00 0.00 H
820
+ ATOM 819 HG3 GLU A 49 -4.678 2.485 8.353 1.00 0.00 H
821
+ ATOM 820 N ASN A 50 -3.620 0.584 7.265 1.00 0.00 N
822
+ ATOM 821 CA ASN A 50 -4.396 -0.463 6.609 1.00 0.00 C
823
+ ATOM 822 C ASN A 50 -3.488 -1.571 6.090 1.00 0.00 C
824
+ ATOM 823 O ASN A 50 -3.845 -2.750 6.132 1.00 0.00 O
825
+ ATOM 824 CB ASN A 50 -5.207 0.124 5.451 1.00 0.00 C
826
+ ATOM 825 CG ASN A 50 -6.300 1.063 5.920 1.00 0.00 C
827
+ ATOM 826 OD1 ASN A 50 -6.047 1.998 6.679 1.00 0.00 O
828
+ ATOM 827 ND2 ASN A 50 -7.522 0.826 5.458 1.00 0.00 N
829
+ ATOM 828 H ASN A 50 -3.636 1.343 6.861 1.00 0.00 H
830
+ ATOM 829 HA ASN A 50 -5.002 -0.842 7.265 1.00 0.00 H
831
+ ATOM 830 HB2 ASN A 50 -4.611 0.601 4.853 1.00 0.00 H
832
+ ATOM 831 HB3 ASN A 50 -5.604 -0.599 4.940 1.00 0.00 H
833
+ ATOM 832 HD21 ASN A 50 -8.175 1.336 5.688 1.00 0.00 H
834
+ ATOM 833 HD22 ASN A 50 -7.660 0.162 4.929 1.00 0.00 H
835
+ ATOM 834 N LEU A 51 -2.319 -1.185 5.585 1.00 0.00 N
836
+ ATOM 835 CA LEU A 51 -1.366 -2.146 5.040 1.00 0.00 C
837
+ ATOM 836 C LEU A 51 -0.980 -3.193 6.079 1.00 0.00 C
838
+ ATOM 837 O LEU A 51 -0.587 -2.859 7.197 1.00 0.00 O
839
+ ATOM 838 CB LEU A 51 -0.106 -1.430 4.544 1.00 0.00 C
840
+ ATOM 839 CG LEU A 51 -0.350 -0.173 3.706 1.00 0.00 C
841
+ ATOM 840 CD1 LEU A 51 0.956 0.337 3.118 1.00 0.00 C
842
+ ATOM 841 CD2 LEU A 51 -1.357 -0.440 2.600 1.00 0.00 C
843
+ ATOM 842 H LEU A 51 -2.058 -0.366 5.549 1.00 0.00 H
844
+ ATOM 843 HA LEU A 51 -1.797 -2.594 4.295 1.00 0.00 H
845
+ ATOM 844 HB2 LEU A 51 0.433 -1.188 5.313 1.00 0.00 H
846
+ ATOM 845 HB3 LEU A 51 0.416 -2.055 4.017 1.00 0.00 H
847
+ ATOM 846 HG LEU A 51 -0.717 0.509 4.290 1.00 0.00 H
848
+ ATOM 847 HD11 LEU A 51 0.785 1.133 2.590 1.00 0.00 H
849
+ ATOM 848 HD12 LEU A 51 1.572 0.552 3.836 1.00 0.00 H
850
+ ATOM 849 HD13 LEU A 51 1.346 -0.348 2.552 1.00 0.00 H
851
+ ATOM 850 HD21 LEU A 51 -1.494 0.370 2.084 1.00 0.00 H
852
+ ATOM 851 HD22 LEU A 51 -1.021 -1.140 2.018 1.00 0.00 H
853
+ ATOM 852 HD23 LEU A 51 -2.200 -0.721 2.990 1.00 0.00 H
854
+ ATOM 853 N ASP A 52 -1.083 -4.459 5.692 1.00 0.00 N
855
+ ATOM 854 CA ASP A 52 -0.734 -5.565 6.576 1.00 0.00 C
856
+ ATOM 855 C ASP A 52 0.529 -6.254 6.066 1.00 0.00 C
857
+ ATOM 856 O ASP A 52 0.570 -7.475 5.913 1.00 0.00 O
858
+ ATOM 857 CB ASP A 52 -1.891 -6.567 6.657 1.00 0.00 C
859
+ ATOM 858 CG ASP A 52 -1.660 -7.649 7.696 1.00 0.00 C
860
+ ATOM 859 OD1 ASP A 52 -0.607 -7.617 8.368 1.00 0.00 O
861
+ ATOM 860 OD2 ASP A 52 -2.535 -8.529 7.839 1.00 0.00 O
862
+ ATOM 861 H ASP A 52 -1.356 -4.701 4.913 1.00 0.00 H
863
+ ATOM 862 HA ASP A 52 -0.567 -5.217 7.466 1.00 0.00 H
864
+ ATOM 863 HB2 ASP A 52 -2.710 -6.092 6.867 1.00 0.00 H
865
+ ATOM 864 HB3 ASP A 52 -2.017 -6.980 5.788 1.00 0.00 H
866
+ ATOM 865 N CYS A 53 1.554 -5.454 5.791 1.00 0.00 N
867
+ ATOM 866 CA CYS A 53 2.818 -5.975 5.281 1.00 0.00 C
868
+ ATOM 867 C CYS A 53 3.984 -5.067 5.674 1.00 0.00 C
869
+ ATOM 868 O CYS A 53 4.661 -4.504 4.814 1.00 0.00 O
870
+ ATOM 869 CB CYS A 53 2.752 -6.113 3.758 1.00 0.00 C
871
+ ATOM 870 SG CYS A 53 2.381 -4.572 2.889 1.00 0.00 S
872
+ ATOM 871 H CYS A 53 1.537 -4.600 5.894 1.00 0.00 H
873
+ ATOM 872 HA CYS A 53 2.967 -6.849 5.675 1.00 0.00 H
874
+ ATOM 873 HB2 CYS A 53 3.600 -6.457 3.438 1.00 0.00 H
875
+ ATOM 874 HB3 CYS A 53 2.076 -6.771 3.532 1.00 0.00 H
876
+ ATOM 875 HG CYS A 53 3.011 -3.675 3.377 1.00 0.00 H
877
+ ATOM 876 N PRO A 54 4.236 -4.914 6.989 1.00 0.00 N
878
+ ATOM 877 CA PRO A 54 5.328 -4.074 7.492 1.00 0.00 C
879
+ ATOM 878 C PRO A 54 6.676 -4.468 6.899 1.00 0.00 C
880
+ ATOM 879 O PRO A 54 7.542 -3.621 6.686 1.00 0.00 O
881
+ ATOM 880 CB PRO A 54 5.315 -4.311 9.009 1.00 0.00 C
882
+ ATOM 881 CG PRO A 54 4.478 -5.529 9.216 1.00 0.00 C
883
+ ATOM 882 CD PRO A 54 3.491 -5.550 8.086 1.00 0.00 C
884
+ ATOM 883 HA PRO A 54 5.204 -3.143 7.250 1.00 0.00 H
885
+ ATOM 884 HB2 PRO A 54 6.214 -4.443 9.349 1.00 0.00 H
886
+ ATOM 885 HB3 PRO A 54 4.943 -3.548 9.478 1.00 0.00 H
887
+ ATOM 886 HG2 PRO A 54 5.025 -6.330 9.214 1.00 0.00 H
888
+ ATOM 887 HG3 PRO A 54 4.024 -5.497 10.073 1.00 0.00 H
889
+ ATOM 888 HD2 PRO A 54 3.221 -6.454 7.861 1.00 0.00 H
890
+ ATOM 889 HD3 PRO A 54 2.683 -5.059 8.305 1.00 0.00 H
891
+ ATOM 890 N ASP A 55 6.845 -5.760 6.635 1.00 0.00 N
892
+ ATOM 891 CA ASP A 55 8.089 -6.269 6.065 1.00 0.00 C
893
+ ATOM 892 C ASP A 55 8.405 -5.577 4.742 1.00 0.00 C
894
+ ATOM 893 O ASP A 55 9.545 -5.181 4.498 1.00 0.00 O
895
+ ATOM 894 CB ASP A 55 8.000 -7.781 5.855 1.00 0.00 C
896
+ ATOM 895 CG ASP A 55 9.265 -8.353 5.242 1.00 0.00 C
897
+ ATOM 896 OD1 ASP A 55 10.342 -8.203 5.855 1.00 0.00 O
898
+ ATOM 897 OD2 ASP A 55 9.176 -8.953 4.150 1.00 0.00 O
899
+ ATOM 898 H ASP A 55 6.248 -6.362 6.780 1.00 0.00 H
900
+ ATOM 899 HA ASP A 55 8.806 -6.079 6.690 1.00 0.00 H
901
+ ATOM 900 HB2 ASP A 55 7.831 -8.214 6.706 1.00 0.00 H
902
+ ATOM 901 HB3 ASP A 55 7.245 -7.982 5.280 1.00 0.00 H
903
+ ATOM 902 N LEU A 56 7.391 -5.430 3.892 1.00 0.00 N
904
+ ATOM 903 CA LEU A 56 7.575 -4.779 2.600 1.00 0.00 C
905
+ ATOM 904 C LEU A 56 7.973 -3.323 2.789 1.00 0.00 C
906
+ ATOM 905 O LEU A 56 8.863 -2.820 2.104 1.00 0.00 O
907
+ ATOM 906 CB LEU A 56 6.299 -4.858 1.762 1.00 0.00 C
908
+ ATOM 907 CG LEU A 56 5.773 -6.269 1.491 1.00 0.00 C
909
+ ATOM 908 CD1 LEU A 56 4.594 -6.208 0.537 1.00 0.00 C
910
+ ATOM 909 CD2 LEU A 56 6.868 -7.162 0.925 1.00 0.00 C
911
+ ATOM 910 H LEU A 56 6.589 -5.701 4.046 1.00 0.00 H
912
+ ATOM 911 HA LEU A 56 8.285 -5.245 2.131 1.00 0.00 H
913
+ ATOM 912 HB2 LEU A 56 5.604 -4.352 2.211 1.00 0.00 H
914
+ ATOM 913 HB3 LEU A 56 6.462 -4.422 0.911 1.00 0.00 H
915
+ ATOM 914 HG LEU A 56 5.480 -6.653 2.332 1.00 0.00 H
916
+ ATOM 915 HD11 LEU A 56 4.266 -7.105 0.370 1.00 0.00 H
917
+ ATOM 916 HD12 LEU A 56 3.886 -5.674 0.930 1.00 0.00 H
918
+ ATOM 917 HD13 LEU A 56 4.875 -5.806 -0.300 1.00 0.00 H
919
+ ATOM 918 HD21 LEU A 56 6.511 -8.049 0.762 1.00 0.00 H
920
+ ATOM 919 HD22 LEU A 56 7.193 -6.787 0.092 1.00 0.00 H
921
+ ATOM 920 HD23 LEU A 56 7.599 -7.220 1.560 1.00 0.00 H
922
+ ATOM 921 N ILE A 57 7.309 -2.651 3.726 1.00 0.00 N
923
+ ATOM 922 CA ILE A 57 7.603 -1.253 4.006 1.00 0.00 C
924
+ ATOM 923 C ILE A 57 9.081 -1.082 4.324 1.00 0.00 C
925
+ ATOM 924 O ILE A 57 9.776 -0.297 3.684 1.00 0.00 O
926
+ ATOM 925 CB ILE A 57 6.764 -0.723 5.188 1.00 0.00 C
927
+ ATOM 926 CG1 ILE A 57 5.267 -0.874 4.895 1.00 0.00 C
928
+ ATOM 927 CG2 ILE A 57 7.110 0.732 5.478 1.00 0.00 C
929
+ ATOM 928 CD1 ILE A 57 4.790 -0.068 3.704 1.00 0.00 C
930
+ ATOM 929 H ILE A 57 6.684 -2.989 4.210 1.00 0.00 H
931
+ ATOM 930 HA ILE A 57 7.374 -0.742 3.214 1.00 0.00 H
932
+ ATOM 931 HB ILE A 57 6.975 -1.250 5.975 1.00 0.00 H
933
+ ATOM 932 HG12 ILE A 57 5.070 -1.811 4.740 1.00 0.00 H
934
+ ATOM 933 HG13 ILE A 57 4.764 -0.604 5.679 1.00 0.00 H
935
+ ATOM 934 HG21 ILE A 57 6.575 1.050 6.222 1.00 0.00 H
936
+ ATOM 935 HG22 ILE A 57 8.051 0.802 5.703 1.00 0.00 H
937
+ ATOM 936 HG23 ILE A 57 6.925 1.271 4.693 1.00 0.00 H
938
+ ATOM 937 HD11 ILE A 57 3.839 -0.210 3.577 1.00 0.00 H
939
+ ATOM 938 HD12 ILE A 57 4.958 0.874 3.863 1.00 0.00 H
940
+ ATOM 939 HD13 ILE A 57 5.268 -0.352 2.909 1.00 0.00 H
941
+ ATOM 940 N ALA A 58 9.558 -1.841 5.305 1.00 0.00 N
942
+ ATOM 941 CA ALA A 58 10.960 -1.789 5.699 1.00 0.00 C
943
+ ATOM 942 C ALA A 58 11.863 -2.042 4.499 1.00 0.00 C
944
+ ATOM 943 O ALA A 58 12.930 -1.444 4.373 1.00 0.00 O
945
+ ATOM 944 CB ALA A 58 11.237 -2.809 6.795 1.00 0.00 C
946
+ ATOM 945 H ALA A 58 9.082 -2.396 5.757 1.00 0.00 H
947
+ ATOM 946 HA ALA A 58 11.150 -0.902 6.043 1.00 0.00 H
948
+ ATOM 947 HB1 ALA A 58 12.172 -2.765 7.049 1.00 0.00 H
949
+ ATOM 948 HB2 ALA A 58 10.683 -2.613 7.567 1.00 0.00 H
950
+ ATOM 949 HB3 ALA A 58 11.032 -3.699 6.468 1.00 0.00 H
951
+ ATOM 950 N GLU A 59 11.419 -2.934 3.619 1.00 0.00 N
952
+ ATOM 951 CA GLU A 59 12.169 -3.282 2.419 1.00 0.00 C
953
+ ATOM 952 C GLU A 59 12.407 -2.056 1.538 1.00 0.00 C
954
+ ATOM 953 O GLU A 59 13.456 -1.928 0.908 1.00 0.00 O
955
+ ATOM 954 CB GLU A 59 11.418 -4.369 1.632 1.00 0.00 C
956
+ ATOM 955 CG GLU A 59 12.159 -4.872 0.399 1.00 0.00 C
957
+ ATOM 956 CD GLU A 59 12.016 -3.954 -0.802 1.00 0.00 C
958
+ ATOM 957 OE1 GLU A 59 11.210 -3.003 -0.735 1.00 0.00 O
959
+ ATOM 958 OE2 GLU A 59 12.699 -4.201 -1.819 1.00 0.00 O
960
+ ATOM 959 H GLU A 59 10.673 -3.355 3.702 1.00 0.00 H
961
+ ATOM 960 HA GLU A 59 13.036 -3.624 2.690 1.00 0.00 H
962
+ ATOM 961 HB2 GLU A 59 11.245 -5.120 2.222 1.00 0.00 H
963
+ ATOM 962 HB3 GLU A 59 10.556 -4.019 1.358 1.00 0.00 H
964
+ ATOM 963 HG2 GLU A 59 13.100 -4.971 0.613 1.00 0.00 H
965
+ ATOM 964 HG3 GLU A 59 11.827 -5.753 0.166 1.00 0.00 H
966
+ ATOM 965 N PHE A 60 11.419 -1.167 1.488 1.00 0.00 N
967
+ ATOM 966 CA PHE A 60 11.508 0.038 0.670 1.00 0.00 C
968
+ ATOM 967 C PHE A 60 12.513 1.043 1.234 1.00 0.00 C
969
+ ATOM 968 O PHE A 60 13.395 1.514 0.516 1.00 0.00 O
970
+ ATOM 969 CB PHE A 60 10.122 0.676 0.544 1.00 0.00 C
971
+ ATOM 970 CG PHE A 60 10.121 2.052 -0.056 1.00 0.00 C
972
+ ATOM 971 CD1 PHE A 60 10.594 2.269 -1.340 1.00 0.00 C
973
+ ATOM 972 CD2 PHE A 60 9.642 3.129 0.669 1.00 0.00 C
974
+ ATOM 973 CE1 PHE A 60 10.587 3.538 -1.888 1.00 0.00 C
975
+ ATOM 974 CE2 PHE A 60 9.633 4.398 0.130 1.00 0.00 C
976
+ ATOM 975 CZ PHE A 60 10.106 4.605 -1.152 1.00 0.00 C
977
+ ATOM 976 H PHE A 60 10.682 -1.245 1.925 1.00 0.00 H
978
+ ATOM 977 HA PHE A 60 11.829 -0.219 -0.209 1.00 0.00 H
979
+ ATOM 978 HB2 PHE A 60 9.561 0.099 0.002 1.00 0.00 H
980
+ ATOM 979 HB3 PHE A 60 9.717 0.719 1.425 1.00 0.00 H
981
+ ATOM 980 HD1 PHE A 60 10.919 1.554 -1.838 1.00 0.00 H
982
+ ATOM 981 HD2 PHE A 60 9.322 2.995 1.532 1.00 0.00 H
983
+ ATOM 982 HE1 PHE A 60 10.906 3.674 -2.751 1.00 0.00 H
984
+ ATOM 983 HE2 PHE A 60 9.309 5.113 0.628 1.00 0.00 H
985
+ ATOM 984 HZ PHE A 60 10.101 5.460 -1.519 1.00 0.00 H
986
+ ATOM 985 N LEU A 61 12.370 1.382 2.513 1.00 0.00 N
987
+ ATOM 986 CA LEU A 61 13.256 2.338 3.151 1.00 0.00 C
988
+ ATOM 987 C LEU A 61 14.634 1.738 3.402 1.00 0.00 C
989
+ ATOM 988 O LEU A 61 15.599 2.460 3.635 1.00 0.00 O
990
+ ATOM 989 CB LEU A 61 12.641 2.817 4.466 1.00 0.00 C
991
+ ATOM 990 CG LEU A 61 11.267 3.479 4.338 1.00 0.00 C
992
+ ATOM 991 CD1 LEU A 61 11.289 4.568 3.281 1.00 0.00 C
993
+ ATOM 992 CD2 LEU A 61 10.185 2.459 4.025 1.00 0.00 C
994
+ ATOM 993 H LEU A 61 11.759 1.064 3.029 1.00 0.00 H
995
+ ATOM 994 HA LEU A 61 13.367 3.093 2.553 1.00 0.00 H
996
+ ATOM 995 HB2 LEU A 61 12.564 2.059 5.066 1.00 0.00 H
997
+ ATOM 996 HB3 LEU A 61 13.251 3.447 4.881 1.00 0.00 H
998
+ ATOM 997 HG LEU A 61 11.058 3.883 5.195 1.00 0.00 H
999
+ ATOM 998 HD11 LEU A 61 10.410 4.974 3.216 1.00 0.00 H
1000
+ ATOM 999 HD12 LEU A 61 11.940 5.244 3.526 1.00 0.00 H
1001
+ ATOM 1000 HD13 LEU A 61 11.531 4.183 2.424 1.00 0.00 H
1002
+ ATOM 1001 HD21 LEU A 61 9.328 2.908 3.950 1.00 0.00 H
1003
+ ATOM 1002 HD22 LEU A 61 10.391 2.015 3.188 1.00 0.00 H
1004
+ ATOM 1003 HD23 LEU A 61 10.144 1.802 4.737 1.00 0.00 H
1005
+ ATOM 1004 N GLN A 62 14.710 0.416 3.364 1.00 0.00 N
1006
+ ATOM 1005 CA GLN A 62 15.965 -0.288 3.599 1.00 0.00 C
1007
+ ATOM 1006 C GLN A 62 17.038 0.133 2.596 1.00 0.00 C
1008
+ ATOM 1007 O GLN A 62 18.214 0.240 2.942 1.00 0.00 O
1009
+ ATOM 1008 CB GLN A 62 15.740 -1.796 3.517 1.00 0.00 C
1010
+ ATOM 1009 CG GLN A 62 16.962 -2.608 3.892 1.00 0.00 C
1011
+ ATOM 1010 CD GLN A 62 16.716 -4.102 3.821 1.00 0.00 C
1012
+ ATOM 1011 OE1 GLN A 62 16.390 -4.640 2.763 1.00 0.00 O
1013
+ ATOM 1012 NE2 GLN A 62 16.872 -4.781 4.952 1.00 0.00 N
1014
+ ATOM 1013 H GLN A 62 14.040 -0.098 3.202 1.00 0.00 H
1015
+ ATOM 1014 HA GLN A 62 16.277 -0.054 4.487 1.00 0.00 H
1016
+ ATOM 1015 HB2 GLN A 62 15.006 -2.039 4.103 1.00 0.00 H
1017
+ ATOM 1016 HB3 GLN A 62 15.471 -2.027 2.614 1.00 0.00 H
1018
+ ATOM 1017 HG2 GLN A 62 17.694 -2.376 3.299 1.00 0.00 H
1019
+ ATOM 1018 HG3 GLN A 62 17.239 -2.372 4.791 1.00 0.00 H
1020
+ ATOM 1019 HE21 GLN A 62 17.101 -4.370 5.672 1.00 0.00 H
1021
+ ATOM 1020 HE22 GLN A 62 16.744 -5.631 4.964 1.00 0.00 H
1022
+ ATOM 1021 N SER A 63 16.632 0.358 1.353 1.00 0.00 N
1023
+ ATOM 1022 CA SER A 63 17.567 0.760 0.308 1.00 0.00 C
1024
+ ATOM 1023 C SER A 63 17.880 2.253 0.388 1.00 0.00 C
1025
+ ATOM 1024 O SER A 63 19.036 2.664 0.282 1.00 0.00 O
1026
+ ATOM 1025 CB SER A 63 16.996 0.415 -1.069 1.00 0.00 C
1027
+ ATOM 1026 OG SER A 63 15.713 0.989 -1.246 1.00 0.00 O
1028
+ ATOM 1027 H SER A 63 15.816 0.283 1.092 1.00 0.00 H
1029
+ ATOM 1028 HA SER A 63 18.395 0.273 0.442 1.00 0.00 H
1030
+ ATOM 1029 HB2 SER A 63 17.596 0.736 -1.761 1.00 0.00 H
1031
+ ATOM 1030 HB3 SER A 63 16.939 -0.548 -1.167 1.00 0.00 H
1032
+ ATOM 1031 HG SER A 63 15.771 1.654 -1.755 1.00 0.00 H
1033
+ ATOM 1032 N GLN A 64 16.839 3.058 0.568 1.00 0.00 N
1034
+ ATOM 1033 CA GLN A 64 16.986 4.510 0.654 1.00 0.00 C
1035
+ ATOM 1034 C GLN A 64 17.693 4.946 1.934 1.00 0.00 C
1036
+ ATOM 1035 O GLN A 64 18.282 6.027 1.978 1.00 0.00 O
1037
+ ATOM 1036 CB GLN A 64 15.617 5.187 0.566 1.00 0.00 C
1038
+ ATOM 1037 CG GLN A 64 15.076 5.321 -0.852 1.00 0.00 C
1039
+ ATOM 1038 CD GLN A 64 15.031 4.004 -1.603 1.00 0.00 C
1040
+ ATOM 1039 OE1 GLN A 64 16.067 3.430 -1.938 1.00 0.00 O
1041
+ ATOM 1040 NE2 GLN A 64 13.824 3.519 -1.872 1.00 0.00 N
1042
+ ATOM 1041 H GLN A 64 16.028 2.781 0.644 1.00 0.00 H
1043
+ ATOM 1042 HA GLN A 64 17.538 4.785 -0.095 1.00 0.00 H
1044
+ ATOM 1043 HB2 GLN A 64 14.982 4.681 1.097 1.00 0.00 H
1045
+ ATOM 1044 HB3 GLN A 64 15.678 6.070 0.963 1.00 0.00 H
1046
+ ATOM 1045 HG2 GLN A 64 14.182 5.697 -0.817 1.00 0.00 H
1047
+ ATOM 1046 HG3 GLN A 64 15.628 5.948 -1.344 1.00 0.00 H
1048
+ ATOM 1047 HE21 GLN A 64 13.122 3.949 -1.622 1.00 0.00 H
1049
+ ATOM 1048 HE22 GLN A 64 13.744 2.775 -2.296 1.00 0.00 H
1050
+ ATOM 1049 N LYS A 65 17.619 4.125 2.981 1.00 0.00 N
1051
+ ATOM 1050 CA LYS A 65 18.249 4.475 4.251 1.00 0.00 C
1052
+ ATOM 1051 C LYS A 65 19.772 4.522 4.126 1.00 0.00 C
1053
+ ATOM 1052 O LYS A 65 20.294 4.980 3.111 1.00 0.00 O
1054
+ ATOM 1053 CB LYS A 65 17.823 3.518 5.365 1.00 0.00 C
1055
+ ATOM 1054 CG LYS A 65 18.290 2.085 5.169 1.00 0.00 C
1056
+ ATOM 1055 CD LYS A 65 17.883 1.194 6.334 1.00 0.00 C
1057
+ ATOM 1056 CE LYS A 65 18.548 1.626 7.633 1.00 0.00 C
1058
+ ATOM 1057 NZ LYS A 65 20.034 1.589 7.537 1.00 0.00 N
1059
+ ATOM 1058 H LYS A 65 17.212 3.367 2.976 1.00 0.00 H
1060
+ ATOM 1059 HA LYS A 65 17.944 5.365 4.489 1.00 0.00 H
1061
+ ATOM 1060 HB2 LYS A 65 18.168 3.847 6.210 1.00 0.00 H
1062
+ ATOM 1061 HB3 LYS A 65 16.855 3.526 5.432 1.00 0.00 H
1063
+ ATOM 1062 HG2 LYS A 65 17.916 1.733 4.346 1.00 0.00 H
1064
+ ATOM 1063 HG3 LYS A 65 19.255 2.070 5.072 1.00 0.00 H
1065
+ ATOM 1064 HD2 LYS A 65 16.919 1.219 6.440 1.00 0.00 H
1066
+ ATOM 1065 HD3 LYS A 65 18.123 0.275 6.138 1.00 0.00 H
1067
+ ATOM 1066 HE2 LYS A 65 18.261 2.525 7.859 1.00 0.00 H
1068
+ ATOM 1067 HE3 LYS A 65 18.256 1.046 8.353 1.00 0.00 H
1069
+ ATOM 1068 HZ1 LYS A 65 20.370 1.220 8.274 1.00 0.00 H
1070
+ ATOM 1069 HZ2 LYS A 65 20.274 1.108 6.828 1.00 0.00 H
1071
+ ATOM 1070 HZ3 LYS A 65 20.347 2.418 7.452 1.00 0.00 H
1072
+ ATOM 1071 N THR A 66 20.483 4.085 5.172 1.00 0.00 N
1073
+ ATOM 1072 CA THR A 66 21.944 4.128 5.170 1.00 0.00 C
1074
+ ATOM 1073 C THR A 66 22.393 5.524 4.764 1.00 0.00 C
1075
+ ATOM 1074 O THR A 66 23.486 5.725 4.234 1.00 0.00 O
1076
+ ATOM 1075 CB THR A 66 22.560 3.084 4.215 1.00 0.00 C
1077
+ ATOM 1076 OG1 THR A 66 22.150 3.339 2.866 1.00 0.00 O
1078
+ ATOM 1077 CG2 THR A 66 22.148 1.676 4.615 1.00 0.00 C
1079
+ ATOM 1078 H THR A 66 20.136 3.761 5.889 1.00 0.00 H
1080
+ ATOM 1079 HA THR A 66 22.253 3.914 6.064 1.00 0.00 H
1081
+ ATOM 1080 HB THR A 66 23.525 3.156 4.275 1.00 0.00 H
1082
+ ATOM 1081 HG1 THR A 66 21.764 4.084 2.826 1.00 0.00 H
1083
+ ATOM 1082 HG21 THR A 66 22.545 1.036 4.003 1.00 0.00 H
1084
+ ATOM 1083 HG22 THR A 66 22.454 1.493 5.517 1.00 0.00 H
1085
+ ATOM 1084 HG23 THR A 66 21.182 1.599 4.580 1.00 0.00 H
1086
+ ATOM 1085 N ALA A 67 21.497 6.472 5.014 1.00 0.00 N
1087
+ ATOM 1086 CA ALA A 67 21.698 7.875 4.690 1.00 0.00 C
1088
+ ATOM 1087 C ALA A 67 20.437 8.651 5.047 1.00 0.00 C
1089
+ ATOM 1088 O ALA A 67 20.477 9.850 5.315 1.00 0.00 O
1090
+ ATOM 1089 CB ALA A 67 22.020 8.042 3.211 1.00 0.00 C
1091
+ ATOM 1090 H ALA A 67 20.738 6.312 5.385 1.00 0.00 H
1092
+ ATOM 1091 HA ALA A 67 22.448 8.219 5.201 1.00 0.00 H
1093
+ ATOM 1092 HB1 ALA A 67 22.151 8.982 3.012 1.00 0.00 H
1094
+ ATOM 1093 HB2 ALA A 67 22.829 7.551 2.998 1.00 0.00 H
1095
+ ATOM 1094 HB3 ALA A 67 21.285 7.699 2.679 1.00 0.00 H
1096
+ ATOM 1095 N HIS A 68 19.310 7.937 5.036 1.00 0.00 N
1097
+ ATOM 1096 CA HIS A 68 18.013 8.524 5.347 1.00 0.00 C
1098
+ ATOM 1097 C HIS A 68 17.990 9.121 6.752 1.00 0.00 C
1099
+ ATOM 1098 O HIS A 68 18.360 8.457 7.722 1.00 0.00 O
1100
+ ATOM 1099 CB HIS A 68 16.913 7.467 5.219 1.00 0.00 C
1101
+ ATOM 1100 CG HIS A 68 15.540 7.989 5.512 1.00 0.00 C
1102
+ ATOM 1101 ND1 HIS A 68 14.947 8.999 4.785 1.00 0.00 N
1103
+ ATOM 1102 CD2 HIS A 68 14.644 7.637 6.464 1.00 0.00 C
1104
+ ATOM 1103 CE1 HIS A 68 13.746 9.245 5.275 1.00 0.00 C
1105
+ ATOM 1104 NE2 HIS A 68 13.538 8.432 6.294 1.00 0.00 N
1106
+ ATOM 1105 H HIS A 68 19.280 7.098 4.847 1.00 0.00 H
1107
+ ATOM 1106 HA HIS A 68 17.854 9.240 4.712 1.00 0.00 H
1108
+ ATOM 1107 HB2 HIS A 68 16.927 7.104 4.320 1.00 0.00 H
1109
+ ATOM 1108 HB3 HIS A 68 17.108 6.734 5.824 1.00 0.00 H
1110
+ ATOM 1109 HD1 HIS A 68 15.304 9.406 4.116 1.00 0.00 H
1111
+ ATOM 1110 HD2 HIS A 68 14.757 6.979 7.112 1.00 0.00 H
1112
+ ATOM 1111 HE1 HIS A 68 13.148 9.882 4.957 1.00 0.00 H
1113
+ ATOM 1112 HE2 HIS A 68 12.825 8.405 6.774 1.00 0.00 H
1114
+ ATOM 1113 N GLU A 69 17.533 10.371 6.847 1.00 0.00 N
1115
+ ATOM 1114 CA GLU A 69 17.431 11.079 8.126 1.00 0.00 C
1116
+ ATOM 1115 C GLU A 69 18.801 11.448 8.701 1.00 0.00 C
1117
+ ATOM 1116 O GLU A 69 18.923 12.443 9.415 1.00 0.00 O
1118
+ ATOM 1117 CB GLU A 69 16.648 10.239 9.140 1.00 0.00 C
1119
+ ATOM 1118 CG GLU A 69 16.445 10.932 10.479 1.00 0.00 C
1120
+ ATOM 1119 CD GLU A 69 15.652 10.089 11.460 1.00 0.00 C
1121
+ ATOM 1120 OE1 GLU A 69 15.268 8.956 11.096 1.00 0.00 O
1122
+ ATOM 1121 OE2 GLU A 69 15.416 10.561 12.592 1.00 0.00 O
1123
+ ATOM 1122 H GLU A 69 17.273 10.833 6.170 1.00 0.00 H
1124
+ ATOM 1123 HA GLU A 69 16.956 11.907 7.953 1.00 0.00 H
1125
+ ATOM 1124 HB2 GLU A 69 15.781 10.018 8.764 1.00 0.00 H
1126
+ ATOM 1125 HB3 GLU A 69 17.116 9.402 9.285 1.00 0.00 H
1127
+ ATOM 1126 HG2 GLU A 69 17.310 11.142 10.864 1.00 0.00 H
1128
+ ATOM 1127 HG3 GLU A 69 15.985 11.774 10.337 1.00 0.00 H
1129
+ ATOM 1128 N THR A 70 19.819 10.641 8.404 1.00 0.00 N
1130
+ ATOM 1129 CA THR A 70 21.171 10.882 8.909 1.00 0.00 C
1131
+ ATOM 1130 C THR A 70 21.169 11.022 10.428 1.00 0.00 C
1132
+ ATOM 1131 O THR A 70 21.819 11.909 10.982 1.00 0.00 O
1133
+ ATOM 1132 CB THR A 70 21.818 12.138 8.284 1.00 0.00 C
1134
+ ATOM 1133 OG1 THR A 70 21.077 13.311 8.637 1.00 0.00 O
1135
+ ATOM 1134 CG2 THR A 70 21.888 12.017 6.770 1.00 0.00 C
1136
+ ATOM 1135 H THR A 70 19.747 9.943 7.907 1.00 0.00 H
1137
+ ATOM 1136 HA THR A 70 21.699 10.110 8.652 1.00 0.00 H
1138
+ ATOM 1137 HB THR A 70 22.720 12.212 8.633 1.00 0.00 H
1139
+ ATOM 1138 HG1 THR A 70 20.560 13.135 9.275 1.00 0.00 H
1140
+ ATOM 1139 HG21 THR A 70 22.297 12.815 6.400 1.00 0.00 H
1141
+ ATOM 1140 HG22 THR A 70 22.420 11.242 6.531 1.00 0.00 H
1142
+ ATOM 1141 HG23 THR A 70 20.992 11.917 6.411 1.00 0.00 H
1143
+ ATOM 1142 N ASP A 71 20.434 10.136 11.092 1.00 0.00 N
1144
+ ATOM 1143 CA ASP A 71 20.336 10.146 12.549 1.00 0.00 C
1145
+ ATOM 1144 C ASP A 71 20.009 8.746 13.072 1.00 0.00 C
1146
+ ATOM 1145 O ASP A 71 20.627 7.766 12.658 1.00 0.00 O
1147
+ ATOM 1146 CB ASP A 71 19.269 11.148 13.008 1.00 0.00 C
1148
+ ATOM 1147 CG ASP A 71 19.620 12.582 12.663 1.00 0.00 C
1149
+ ATOM 1148 OD1 ASP A 71 20.672 13.066 13.133 1.00 0.00 O
1150
+ ATOM 1149 OD2 ASP A 71 18.841 13.223 11.926 1.00 0.00 O
1151
+ ATOM 1150 H ASP A 71 19.979 9.513 10.712 1.00 0.00 H
1152
+ ATOM 1151 HA ASP A 71 21.193 10.419 12.912 1.00 0.00 H
1153
+ ATOM 1152 HB2 ASP A 71 18.420 10.920 12.598 1.00 0.00 H
1154
+ ATOM 1153 HB3 ASP A 71 19.151 11.071 13.968 1.00 0.00 H
1155
+ ATOM 1154 N LYS A 72 19.039 8.656 13.983 1.00 0.00 N
1156
+ ATOM 1155 CA LYS A 72 18.643 7.373 14.553 1.00 0.00 C
1157
+ ATOM 1156 C LYS A 72 17.956 6.496 13.504 1.00 0.00 C
1158
+ ATOM 1157 O LYS A 72 18.364 6.472 12.343 1.00 0.00 O
1159
+ ATOM 1158 CB LYS A 72 17.714 7.599 15.749 1.00 0.00 C
1160
+ ATOM 1159 CG LYS A 72 18.334 8.451 16.845 1.00 0.00 C
1161
+ ATOM 1160 CD LYS A 72 17.369 8.664 18.003 1.00 0.00 C
1162
+ ATOM 1161 CE LYS A 72 17.017 7.353 18.688 1.00 0.00 C
1163
+ ATOM 1162 NZ LYS A 72 16.074 7.555 19.822 1.00 0.00 N
1164
+ ATOM 1163 H LYS A 72 18.598 9.330 14.284 1.00 0.00 H
1165
+ ATOM 1164 HA LYS A 72 19.441 6.911 14.853 1.00 0.00 H
1166
+ ATOM 1165 HB2 LYS A 72 16.899 8.025 15.440 1.00 0.00 H
1167
+ ATOM 1166 HB3 LYS A 72 17.462 6.739 16.121 1.00 0.00 H
1168
+ ATOM 1167 HG2 LYS A 72 19.142 8.023 17.170 1.00 0.00 H
1169
+ ATOM 1168 HG3 LYS A 72 18.596 9.310 16.479 1.00 0.00 H
1170
+ ATOM 1169 HD2 LYS A 72 17.765 9.270 18.648 1.00 0.00 H
1171
+ ATOM 1170 HD3 LYS A 72 16.559 9.087 17.677 1.00 0.00 H
1172
+ ATOM 1171 HE2 LYS A 72 16.621 6.747 18.042 1.00 0.00 H
1173
+ ATOM 1172 HE3 LYS A 72 17.827 6.931 19.013 1.00 0.00 H
1174
+ ATOM 1173 HZ1 LYS A 72 15.565 6.831 19.918 1.00 0.00 H
1175
+ ATOM 1174 HZ2 LYS A 72 16.535 7.694 20.571 1.00 0.00 H
1176
+ ATOM 1175 HZ3 LYS A 72 15.558 8.261 19.657 1.00 0.00 H
1177
+ ATOM 1176 N SER A 73 16.913 5.776 13.920 1.00 0.00 N
1178
+ ATOM 1177 CA SER A 73 16.172 4.898 13.017 1.00 0.00 C
1179
+ ATOM 1178 C SER A 73 17.090 3.846 12.403 1.00 0.00 C
1180
+ ATOM 1179 O SER A 73 17.295 2.794 13.046 1.00 0.00 O
1181
+ ATOM 1180 CB SER A 73 15.496 5.716 11.913 1.00 0.00 C
1182
+ ATOM 1181 OG SER A 73 14.574 6.644 12.458 1.00 0.00 O
1183
+ ATOM 1182 OXT SER A 73 17.597 4.080 11.284 1.00 0.00 O
1184
+ ATOM 1183 H SER A 73 16.618 5.783 14.728 1.00 0.00 H
1185
+ ATOM 1184 HA SER A 73 15.489 4.443 13.534 1.00 0.00 H
1186
+ ATOM 1185 HB2 SER A 73 16.169 6.188 11.398 1.00 0.00 H
1187
+ ATOM 1186 HB3 SER A 73 15.036 5.121 11.300 1.00 0.00 H
1188
+ ATOM 1187 HG SER A 73 14.110 6.974 11.840 1.00 0.00 H
1189
+ TER 1188 SER A 73
1190
+ END
1jwt/1jwt_ligand.mol2 ADDED
@@ -0,0 +1,153 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1jwt_ligand
7
+ 67 70 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N1 17.7350 -13.9960 22.2350 N.am 1 BLI -0.2458
14
+ 2 C1 18.8210 -14.6480 21.5290 C.3 1 BLI 0.0651
15
+ 3 C2 19.7850 -15.3630 22.4630 C.3 1 BLI 0.0553
16
+ 4 N3 19.0680 -16.2000 23.4190 N.am 1 BLI -0.2157
17
+ 5 C4 17.6270 -15.9660 23.5790 C.3 1 BLI 0.1188
18
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1jwt/1jwt_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jwt/1jwt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ntk/1ntk_ligand.mol2 ADDED
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1pxm/1pxm_protein_esmfold_aligned_tr_fix.pdb ADDED
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1pxm/1pxm_protein_processed_fix.pdb ADDED
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1
+ ATOM 1 C LYS A 1 21.956 23.688 5.580 1.00 83.74 C
2
+ ATOM 2 CA LYS A 1 22.368 23.760 7.048 1.00 83.16 C
3
+ ATOM 3 CB LYS A 1 22.241 25.196 7.558 1.00 78.72 C
4
+ ATOM 4 CD LYS A 1 20.790 26.962 8.613 1.00 68.71 C
5
+ ATOM 5 CE LYS A 1 19.381 27.336 9.053 1.00 66.06 C
6
+ ATOM 6 CG LYS A 1 20.825 25.591 7.951 1.00 71.18 C
7
+ ATOM 7 N LYS A 1 23.729 23.267 7.237 1.00 81.80 N
8
+ ATOM 8 NZ LYS A 1 19.346 28.669 9.726 1.00 58.91 N
9
+ ATOM 9 O LYS A 1 22.726 24.066 4.695 1.00 79.71 O
10
+ ATOM 10 C TYR A 2 18.887 23.612 3.770 1.00 91.48 C
11
+ ATOM 11 CA TYR A 2 20.268 22.975 3.867 1.00 91.69 C
12
+ ATOM 12 CB TYR A 2 20.200 21.513 3.414 1.00 87.13 C
13
+ ATOM 13 CD1 TYR A 2 22.377 20.866 2.306 1.00 60.81 C
14
+ ATOM 14 CD2 TYR A 2 21.966 20.099 4.532 1.00 62.07 C
15
+ ATOM 15 CE1 TYR A 2 23.609 20.222 2.305 1.00 53.46 C
16
+ ATOM 16 CE2 TYR A 2 23.197 19.452 4.540 1.00 52.90 C
17
+ ATOM 17 CG TYR A 2 21.539 20.813 3.417 1.00 70.21 C
18
+ ATOM 18 CZ TYR A 2 24.011 19.518 3.424 1.00 58.89 C
19
+ ATOM 19 N TYR A 2 20.792 23.066 5.225 1.00 90.04 N
20
+ ATOM 20 O TYR A 2 18.149 23.662 4.757 1.00 89.84 O
21
+ ATOM 21 OH TYR A 2 25.230 18.879 3.428 1.00 34.79 O
22
+ ATOM 22 C PHE A 3 16.481 24.134 1.216 1.00 89.09 C
23
+ ATOM 23 CA PHE A 3 17.252 24.780 2.362 1.00 91.23 C
24
+ ATOM 24 CB PHE A 3 17.517 26.256 2.049 1.00 88.94 C
25
+ ATOM 25 CD1 PHE A 3 17.570 27.407 4.286 1.00 83.77 C
26
+ ATOM 26 CD2 PHE A 3 19.602 27.256 3.034 1.00 85.85 C
27
+ ATOM 27 CE1 PHE A 3 18.240 28.084 5.302 1.00 88.14 C
28
+ ATOM 28 CE2 PHE A 3 20.278 27.933 4.046 1.00 88.28 C
29
+ ATOM 29 CG PHE A 3 18.244 26.988 3.145 1.00 87.80 C
30
+ ATOM 30 CZ PHE A 3 19.595 28.346 5.179 1.00 87.34 C
31
+ ATOM 31 N PHE A 3 18.504 24.074 2.606 1.00 88.71 N
32
+ ATOM 32 O PHE A 3 17.077 23.700 0.228 1.00 85.94 O
33
+ ATOM 33 C MET A 4 13.127 24.401 0.140 1.00 91.31 C
34
+ ATOM 34 CA MET A 4 14.361 23.515 0.282 1.00 91.28 C
35
+ ATOM 35 CB MET A 4 13.939 22.078 0.592 1.00 88.02 C
36
+ ATOM 36 CE MET A 4 11.332 20.117 1.178 1.00 62.33 C
37
+ ATOM 37 CG MET A 4 13.135 21.422 -0.519 1.00 74.09 C
38
+ ATOM 38 N MET A 4 15.250 24.025 1.322 1.00 90.38 N
39
+ ATOM 39 O MET A 4 12.496 24.759 1.136 1.00 90.08 O
40
+ ATOM 40 SD MET A 4 12.581 19.728 -0.080 1.00 66.38 S
41
+ ATOM 41 C SER A 5 10.412 24.678 -1.650 1.00 89.77 C
42
+ ATOM 42 CA SER A 5 11.636 25.513 -1.293 1.00 90.69 C
43
+ ATOM 43 CB SER A 5 11.937 26.500 -2.422 1.00 88.08 C
44
+ ATOM 44 N SER A 5 12.795 24.667 -1.031 1.00 90.01 N
45
+ ATOM 45 O SER A 5 10.535 23.622 -2.275 1.00 87.26 O
46
+ ATOM 46 OG SER A 5 10.801 27.299 -2.708 1.00 75.16 O
47
+ ATOM 47 C SER A 6 7.679 25.005 -3.124 1.00 84.60 C
48
+ ATOM 48 CA SER A 6 8.013 24.631 -1.683 1.00 85.47 C
49
+ ATOM 49 CB SER A 6 6.885 25.083 -0.756 1.00 83.26 C
50
+ ATOM 50 N SER A 6 9.284 25.214 -1.266 1.00 86.26 N
51
+ ATOM 51 O SER A 6 8.330 25.871 -3.712 1.00 80.75 O
52
+ ATOM 52 OG SER A 6 6.532 26.431 -1.014 1.00 74.74 O
53
+ ATOM 53 C VAL A 7 4.896 25.501 -4.900 1.00 84.19 C
54
+ ATOM 54 CA VAL A 7 6.187 24.691 -5.012 1.00 85.19 C
55
+ ATOM 55 CB VAL A 7 5.946 23.417 -5.852 1.00 80.49 C
56
+ ATOM 56 CG1 VAL A 7 7.273 22.785 -6.267 1.00 65.58 C
57
+ ATOM 57 CG2 VAL A 7 5.095 22.418 -5.071 1.00 62.61 C
58
+ ATOM 58 N VAL A 7 6.684 24.368 -3.679 1.00 85.24 N
59
+ ATOM 59 O VAL A 7 4.512 26.200 -5.840 1.00 80.53 O
60
+ ATOM 60 C ARG A 8 2.978 27.152 -2.563 1.00 90.62 C
61
+ ATOM 61 CA ARG A 8 2.909 26.047 -3.611 1.00 89.59 C
62
+ ATOM 62 CB ARG A 8 1.835 25.026 -3.227 1.00 86.31 C
63
+ ATOM 63 CD ARG A 8 0.411 23.066 -3.912 1.00 71.28 C
64
+ ATOM 64 CG ARG A 8 1.541 24.003 -4.311 1.00 74.80 C
65
+ ATOM 65 CZ ARG A 8 -0.820 21.157 -4.891 1.00 62.95 C
66
+ ATOM 66 N ARG A 8 4.205 25.393 -3.769 1.00 89.26 N
67
+ ATOM 67 NE ARG A 8 0.162 22.053 -4.933 1.00 64.65 N
68
+ ATOM 68 NH1 ARG A 8 -1.671 21.133 -3.871 1.00 51.84 N
69
+ ATOM 69 NH2 ARG A 8 -0.954 20.281 -5.875 1.00 46.65 N
70
+ ATOM 70 O ARG A 8 3.696 27.029 -1.569 1.00 89.86 O
71
+ ATOM 71 C ARG A 9 1.086 28.886 -0.815 1.00 93.74 C
72
+ ATOM 72 CA ARG A 9 2.078 29.243 -1.917 1.00 93.97 C
73
+ ATOM 73 CB ARG A 9 1.633 30.523 -2.628 1.00 92.39 C
74
+ ATOM 74 CD ARG A 9 2.066 32.216 -4.442 1.00 84.99 C
75
+ ATOM 75 CG ARG A 9 2.606 31.008 -3.691 1.00 86.99 C
76
+ ATOM 76 CZ ARG A 9 3.262 34.074 -5.552 1.00 79.96 C
77
+ ATOM 77 N ARG A 9 2.216 28.148 -2.873 1.00 93.42 N
78
+ ATOM 78 NE ARG A 9 3.060 32.774 -5.353 1.00 83.05 N
79
+ ATOM 79 NH1 ARG A 9 2.537 34.980 -4.904 1.00 72.62 N
80
+ ATOM 80 NH2 ARG A 9 4.194 34.472 -6.405 1.00 70.03 N
81
+ ATOM 81 O ARG A 9 0.070 28.236 -1.074 1.00 92.98 O
82
+ ATOM 82 C MET A 10 0.777 30.014 2.636 1.00 94.10 C
83
+ ATOM 83 CA MET A 10 0.584 28.996 1.517 1.00 93.94 C
84
+ ATOM 84 CB MET A 10 0.880 27.587 2.035 1.00 92.83 C
85
+ ATOM 85 CE MET A 10 2.972 25.170 1.079 1.00 80.97 C
86
+ ATOM 86 CG MET A 10 2.285 27.422 2.592 1.00 88.31 C
87
+ ATOM 87 N MET A 10 1.433 29.311 0.372 1.00 93.51 N
88
+ ATOM 88 O MET A 10 1.797 30.703 2.683 1.00 93.62 O
89
+ ATOM 89 SD MET A 10 2.753 25.662 2.812 1.00 87.90 S
90
+ ATOM 90 C PRO A 11 0.961 30.385 5.679 1.00 94.62 C
91
+ ATOM 91 CA PRO A 11 -0.059 30.967 4.703 1.00 94.50 C
92
+ ATOM 92 CB PRO A 11 -1.450 31.030 5.339 1.00 93.68 C
93
+ ATOM 93 CD PRO A 11 -1.574 29.807 3.240 1.00 90.83 C
94
+ ATOM 94 CG PRO A 11 -2.379 30.538 4.277 1.00 91.80 C
95
+ ATOM 95 N PRO A 11 -0.264 30.118 3.526 1.00 94.18 N
96
+ ATOM 96 O PRO A 11 1.329 29.214 5.568 1.00 94.32 O
97
+ ATOM 97 C LEU A 12 2.164 29.558 8.334 1.00 93.93 C
98
+ ATOM 98 CA LEU A 12 2.519 30.803 7.528 1.00 94.25 C
99
+ ATOM 99 CB LEU A 12 2.882 31.951 8.474 1.00 93.46 C
100
+ ATOM 100 CD1 LEU A 12 5.315 31.408 8.743 1.00 86.55 C
101
+ ATOM 101 CD2 LEU A 12 4.156 32.843 10.444 1.00 86.51 C
102
+ ATOM 102 CG LEU A 12 4.005 31.675 9.475 1.00 91.03 C
103
+ ATOM 103 N LEU A 12 1.417 31.189 6.654 1.00 94.11 N
104
+ ATOM 104 O LEU A 12 3.020 28.701 8.569 1.00 93.08 O
105
+ ATOM 105 C ASN A 13 0.715 26.976 8.862 1.00 94.08 C
106
+ ATOM 106 CA ASN A 13 0.549 28.278 9.641 1.00 94.10 C
107
+ ATOM 107 CB ASN A 13 -0.886 28.408 10.157 1.00 92.11 C
108
+ ATOM 108 CG ASN A 13 -1.024 29.459 11.240 1.00 78.38 C
109
+ ATOM 109 N ASN A 13 0.910 29.436 8.831 1.00 94.23 N
110
+ ATOM 110 ND2 ASN A 13 -2.255 29.879 11.507 1.00 64.73 N
111
+ ATOM 111 O ASN A 13 1.205 25.982 9.401 1.00 93.21 O
112
+ ATOM 112 OD1 ASN A 13 -0.031 29.893 11.832 1.00 66.20 O
113
+ ATOM 113 C ARG A 14 2.004 25.633 6.507 1.00 94.60 C
114
+ ATOM 114 CA ARG A 14 0.532 25.848 6.842 1.00 94.36 C
115
+ ATOM 115 CB ARG A 14 -0.286 25.977 5.555 1.00 92.49 C
116
+ ATOM 116 CD ARG A 14 -2.519 25.590 4.456 1.00 72.34 C
117
+ ATOM 117 CG ARG A 14 -1.788 25.857 5.763 1.00 78.11 C
118
+ ATOM 118 CZ ARG A 14 -4.856 25.417 3.668 1.00 63.98 C
119
+ ATOM 119 N ARG A 14 0.352 27.027 7.683 1.00 94.45 N
120
+ ATOM 120 NE ARG A 14 -3.966 25.551 4.647 1.00 67.83 N
121
+ ATOM 121 NH1 ARG A 14 -4.463 25.306 2.404 1.00 51.86 N
122
+ ATOM 122 NH2 ARG A 14 -6.150 25.393 3.953 1.00 45.98 N
123
+ ATOM 123 O ARG A 14 2.459 24.493 6.392 1.00 93.99 O
124
+ ATOM 124 C ALA A 15 4.876 25.952 7.207 1.00 94.11 C
125
+ ATOM 125 CA ALA A 15 4.133 26.627 6.058 1.00 94.10 C
126
+ ATOM 126 CB ALA A 15 4.692 28.027 5.815 1.00 93.25 C
127
+ ATOM 127 N ALA A 15 2.698 26.692 6.327 1.00 93.67 N
128
+ ATOM 128 O ALA A 15 5.751 25.113 6.980 1.00 93.59 O
129
+ ATOM 129 C LYS A 16 4.836 24.207 9.638 1.00 93.66 C
130
+ ATOM 130 CA LYS A 16 5.114 25.707 9.611 1.00 94.08 C
131
+ ATOM 131 CB LYS A 16 4.586 26.361 10.889 1.00 93.05 C
132
+ ATOM 132 CD LYS A 16 4.439 28.418 12.333 1.00 85.16 C
133
+ ATOM 133 CE LYS A 16 4.893 27.748 13.623 1.00 79.55 C
134
+ ATOM 134 CG LYS A 16 5.090 27.779 11.112 1.00 88.06 C
135
+ ATOM 135 N LYS A 16 4.519 26.330 8.433 1.00 94.16 N
136
+ ATOM 136 NZ LYS A 16 4.284 28.393 14.825 1.00 71.98 N
137
+ ATOM 137 O LYS A 16 5.730 23.410 9.930 1.00 92.71 O
138
+ ATOM 138 C ALA A 17 3.967 21.708 8.276 1.00 93.69 C
139
+ ATOM 139 CA ALA A 17 3.212 22.485 9.351 1.00 93.83 C
140
+ ATOM 140 CB ALA A 17 1.706 22.351 9.140 1.00 92.95 C
141
+ ATOM 141 N ALA A 17 3.603 23.893 9.354 1.00 93.89 N
142
+ ATOM 142 O ALA A 17 4.434 20.593 8.521 1.00 92.96 O
143
+ ATOM 143 C LEU A 18 6.236 21.306 6.398 1.00 93.29 C
144
+ ATOM 144 CA LEU A 18 4.784 21.582 6.023 1.00 93.35 C
145
+ ATOM 145 CB LEU A 18 4.727 22.451 4.765 1.00 92.74 C
146
+ ATOM 146 CD1 LEU A 18 4.963 20.634 3.053 1.00 87.02 C
147
+ ATOM 147 CD2 LEU A 18 5.531 23.002 2.451 1.00 86.90 C
148
+ ATOM 148 CG LEU A 18 5.529 21.956 3.560 1.00 90.63 C
149
+ ATOM 149 N LEU A 18 4.077 22.228 7.123 1.00 93.31 N
150
+ ATOM 150 O LEU A 18 6.725 20.186 6.224 1.00 92.63 O
151
+ ATOM 151 C CYS A 19 8.557 21.165 8.361 1.00 92.99 C
152
+ ATOM 152 CA CYS A 19 8.382 22.147 7.209 1.00 93.28 C
153
+ ATOM 153 CB CYS A 19 9.004 23.493 7.577 1.00 92.84 C
154
+ ATOM 154 N CYS A 19 6.972 22.310 6.872 1.00 93.14 N
155
+ ATOM 155 O CYS A 19 9.489 20.357 8.358 1.00 92.14 O
156
+ ATOM 156 SG CYS A 19 9.173 24.624 6.178 1.00 93.33 S
157
+ ATOM 157 C SER A 20 7.441 18.791 9.961 1.00 92.53 C
158
+ ATOM 158 CA SER A 20 7.634 20.228 10.438 1.00 92.78 C
159
+ ATOM 159 CB SER A 20 6.560 20.579 11.469 1.00 91.67 C
160
+ ATOM 160 N SER A 20 7.597 21.165 9.321 1.00 93.04 N
161
+ ATOM 161 O SER A 20 8.110 17.876 10.444 1.00 91.57 O
162
+ ATOM 162 OG SER A 20 6.626 19.704 12.582 1.00 78.06 O
163
+ ATOM 163 C GLU A 21 7.631 16.729 7.765 1.00 91.94 C
164
+ ATOM 164 CA GLU A 21 6.361 17.265 8.417 1.00 92.17 C
165
+ ATOM 165 CB GLU A 21 5.221 17.306 7.395 1.00 90.44 C
166
+ ATOM 166 CD GLU A 21 2.717 17.448 6.996 1.00 73.73 C
167
+ ATOM 167 CG GLU A 21 3.835 17.347 8.021 1.00 79.63 C
168
+ ATOM 168 N GLU A 21 6.580 18.588 8.994 1.00 92.50 N
169
+ ATOM 169 O GLU A 21 7.878 15.521 7.774 1.00 90.64 O
170
+ ATOM 170 OE1 GLU A 21 3.005 17.414 5.778 1.00 69.63 O
171
+ ATOM 171 OE2 GLU A 21 1.543 17.564 7.414 1.00 66.83 O
172
+ ATOM 172 C LEU A 22 10.818 17.292 7.662 1.00 90.14 C
173
+ ATOM 173 CA LEU A 22 9.668 17.315 6.661 1.00 90.51 C
174
+ ATOM 174 CB LEU A 22 9.984 18.289 5.522 1.00 89.84 C
175
+ ATOM 175 CD1 LEU A 22 9.368 19.412 3.367 1.00 85.83 C
176
+ ATOM 176 CD2 LEU A 22 8.977 16.950 3.653 1.00 85.88 C
177
+ ATOM 177 CG LEU A 22 9.001 18.306 4.351 1.00 88.44 C
178
+ ATOM 178 N LEU A 22 8.416 17.683 7.314 1.00 90.49 N
179
+ ATOM 179 O LEU A 22 11.981 17.160 7.274 1.00 88.84 O
180
+ ATOM 180 C GLN A 23 12.458 18.663 9.981 1.00 91.37 C
181
+ ATOM 181 CA GLN A 23 11.504 17.474 10.056 1.00 91.57 C
182
+ ATOM 182 CB GLN A 23 12.294 16.165 10.033 1.00 90.07 C
183
+ ATOM 183 CD GLN A 23 12.254 13.649 10.309 1.00 80.77 C
184
+ ATOM 184 CG GLN A 23 11.436 14.925 10.244 1.00 84.84 C
185
+ ATOM 185 N GLN A 23 10.536 17.508 8.966 1.00 91.82 N
186
+ ATOM 186 NE2 GLN A 23 11.744 12.654 11.028 1.00 72.53 N
187
+ ATOM 187 O GLN A 23 13.640 18.539 10.310 1.00 89.81 O
188
+ ATOM 188 OE1 GLN A 23 13.335 13.558 9.719 1.00 77.24 O
189
+ ATOM 189 C GLY A 24 11.758 22.133 10.062 1.00 92.33 C
190
+ ATOM 190 CA GLY A 24 12.587 20.999 9.490 1.00 92.18 C
191
+ ATOM 191 N GLY A 24 11.887 19.724 9.492 1.00 92.19 N
192
+ ATOM 192 O GLY A 24 10.742 21.899 10.720 1.00 91.54 O
193
+ ATOM 193 C THR A 25 11.515 25.621 9.157 1.00 93.45 C
194
+ ATOM 194 CA THR A 25 11.466 24.589 10.280 1.00 93.18 C
195
+ ATOM 195 CB THR A 25 12.061 25.196 11.565 1.00 91.97 C
196
+ ATOM 196 CG2 THR A 25 13.481 25.698 11.330 1.00 80.10 C
197
+ ATOM 197 N THR A 25 12.171 23.372 9.893 1.00 92.94 N
198
+ ATOM 198 O THR A 25 12.328 25.510 8.238 1.00 93.02 O
199
+ ATOM 199 OG1 THR A 25 11.243 26.293 11.991 1.00 82.17 O
200
+ ATOM 200 C VAL A 26 11.975 28.342 8.317 1.00 94.79 C
201
+ ATOM 201 CA VAL A 26 10.646 27.598 8.204 1.00 94.69 C
202
+ ATOM 202 CB VAL A 26 9.467 28.577 8.406 1.00 94.19 C
203
+ ATOM 203 CG1 VAL A 26 9.508 29.694 7.365 1.00 92.59 C
204
+ ATOM 204 CG2 VAL A 26 8.136 27.830 8.341 1.00 92.48 C
205
+ ATOM 205 N VAL A 26 10.607 26.505 9.171 1.00 94.41 N
206
+ ATOM 206 O VAL A 26 12.441 28.626 9.423 1.00 94.50 O
207
+ ATOM 207 C ALA A 27 14.043 30.558 7.877 1.00 94.90 C
208
+ ATOM 208 CA ALA A 27 13.964 29.197 7.193 1.00 94.94 C
209
+ ATOM 209 CB ALA A 27 14.447 29.302 5.749 1.00 94.32 C
210
+ ATOM 210 N ALA A 27 12.603 28.666 7.237 1.00 94.83 N
211
+ ATOM 211 O ALA A 27 13.165 31.404 7.696 1.00 94.47 O
212
+ ATOM 212 C THR A 28 16.817 32.438 9.080 1.00 94.40 C
213
+ ATOM 213 CA THR A 28 15.361 32.038 9.307 1.00 94.54 C
214
+ ATOM 214 CB THR A 28 15.088 31.921 10.818 1.00 93.38 C
215
+ ATOM 215 CG2 THR A 28 15.303 33.257 11.520 1.00 84.48 C
216
+ ATOM 216 N THR A 28 15.054 30.791 8.615 1.00 94.55 N
217
+ ATOM 217 O THR A 28 17.730 31.808 9.617 1.00 93.72 O
218
+ ATOM 218 OG1 THR A 28 13.734 31.499 11.022 1.00 84.75 O
219
+ ATOM 219 C PRO A 29 19.085 34.408 9.304 1.00 93.66 C
220
+ ATOM 220 CA PRO A 29 18.453 33.781 8.064 1.00 94.09 C
221
+ ATOM 221 CB PRO A 29 18.372 34.795 6.920 1.00 93.66 C
222
+ ATOM 222 CD PRO A 29 16.084 34.358 7.619 1.00 91.83 C
223
+ ATOM 223 CG PRO A 29 17.005 35.388 7.030 1.00 92.67 C
224
+ ATOM 224 N PRO A 29 17.055 33.398 8.273 1.00 94.12 N
225
+ ATOM 225 O PRO A 29 18.453 35.226 9.977 1.00 92.76 O
226
+ ATOM 226 C ARG A 30 22.262 35.528 10.312 1.00 93.25 C
227
+ ATOM 227 CA ARG A 30 21.115 34.614 10.732 1.00 93.36 C
228
+ ATOM 228 CB ARG A 30 21.648 33.469 11.596 1.00 91.82 C
229
+ ATOM 229 CD ARG A 30 21.145 31.380 12.911 1.00 77.21 C
230
+ ATOM 230 CG ARG A 30 20.560 32.581 12.179 1.00 83.15 C
231
+ ATOM 231 CZ ARG A 30 20.323 29.317 14.000 1.00 69.68 C
232
+ ATOM 232 N ARG A 30 20.408 34.091 9.566 1.00 93.50 N
233
+ ATOM 233 NE ARG A 30 20.101 30.467 13.369 1.00 70.88 N
234
+ ATOM 234 NH1 ARG A 30 21.562 28.916 14.260 1.00 50.84 N
235
+ ATOM 235 NH2 ARG A 30 19.299 28.564 14.373 1.00 45.48 N
236
+ ATOM 236 O ARG A 30 22.991 36.047 11.160 1.00 92.15 O
237
+ ATOM 237 C ASN A 31 23.194 36.690 6.939 1.00 93.90 C
238
+ ATOM 238 CA ASN A 31 23.457 36.486 8.427 1.00 93.64 C
239
+ ATOM 239 CB ASN A 31 24.873 35.949 8.648 1.00 93.00 C
240
+ ATOM 240 CG ASN A 31 25.052 34.541 8.114 1.00 91.46 C
241
+ ATOM 241 N ASN A 31 22.471 35.594 9.029 1.00 93.42 N
242
+ ATOM 242 ND2 ASN A 31 25.545 33.645 8.960 1.00 90.15 N
243
+ ATOM 243 O ASN A 31 22.270 36.095 6.380 1.00 93.54 O
244
+ ATOM 244 OD1 ASN A 31 24.753 34.263 6.949 1.00 89.95 O
245
+ ATOM 245 C ALA A 32 23.942 36.631 4.039 1.00 94.31 C
246
+ ATOM 246 CA ALA A 32 23.796 37.849 4.944 1.00 94.45 C
247
+ ATOM 247 CB ALA A 32 24.795 38.931 4.540 1.00 93.46 C
248
+ ATOM 248 N ALA A 32 23.979 37.487 6.347 1.00 94.36 N
249
+ ATOM 249 O ALA A 32 23.249 36.516 3.025 1.00 93.62 O
250
+ ATOM 250 C GLU A 33 23.863 33.650 3.594 1.00 94.00 C
251
+ ATOM 251 CA GLU A 33 25.096 34.549 3.614 1.00 93.78 C
252
+ ATOM 252 CB GLU A 33 26.303 33.772 4.145 1.00 92.55 C
253
+ ATOM 253 CD GLU A 33 27.952 31.876 3.773 1.00 77.01 C
254
+ ATOM 254 CG GLU A 33 26.708 32.594 3.273 1.00 83.70 C
255
+ ATOM 255 N GLU A 33 24.863 35.746 4.415 1.00 93.70 N
256
+ ATOM 256 O GLU A 33 23.454 33.172 2.533 1.00 93.48 O
257
+ ATOM 257 OE1 GLU A 33 28.530 32.306 4.796 1.00 73.06 O
258
+ ATOM 258 OE2 GLU A 33 28.351 30.875 3.136 1.00 68.76 O
259
+ ATOM 259 C GLU A 34 20.940 33.361 4.133 1.00 94.29 C
260
+ ATOM 260 CA GLU A 34 22.101 32.681 4.853 1.00 94.07 C
261
+ ATOM 261 CB GLU A 34 21.732 32.415 6.313 1.00 93.37 C
262
+ ATOM 262 CD GLU A 34 22.224 31.102 8.431 1.00 88.89 C
263
+ ATOM 263 CG GLU A 34 22.668 31.444 7.018 1.00 90.90 C
264
+ ATOM 264 N GLU A 34 23.318 33.484 4.768 1.00 93.81 N
265
+ ATOM 265 O GLU A 34 20.140 32.698 3.470 1.00 93.96 O
266
+ ATOM 266 OE1 GLU A 34 21.114 31.516 8.836 1.00 87.15 O
267
+ ATOM 267 OE2 GLU A 34 22.993 30.414 9.140 1.00 87.00 O
268
+ ATOM 268 C ASN A 35 19.898 35.172 1.996 1.00 94.92 C
269
+ ATOM 269 CA ASN A 35 19.815 35.400 3.502 1.00 95.21 C
270
+ ATOM 270 CB ASN A 35 19.911 36.894 3.820 1.00 94.82 C
271
+ ATOM 271 CG ASN A 35 18.690 37.667 3.363 1.00 93.82 C
272
+ ATOM 272 N ASN A 35 20.850 34.658 4.214 1.00 95.08 N
273
+ ATOM 273 ND2 ASN A 35 18.851 38.465 2.314 1.00 92.89 N
274
+ ATOM 274 O ASN A 35 18.881 34.925 1.345 1.00 94.30 O
275
+ ATOM 275 OD1 ASN A 35 17.611 37.551 3.951 1.00 91.64 O
276
+ ATOM 276 C ARG A 36 21.042 33.547 -0.317 1.00 94.77 C
277
+ ATOM 277 CA ARG A 36 21.343 34.986 0.092 1.00 94.85 C
278
+ ATOM 278 CB ARG A 36 22.780 35.349 -0.287 1.00 93.59 C
279
+ ATOM 279 CD ARG A 36 24.435 35.886 -2.108 1.00 75.93 C
280
+ ATOM 280 CG ARG A 36 23.020 35.428 -1.787 1.00 82.53 C
281
+ ATOM 281 CZ ARG A 36 25.801 37.933 -1.855 1.00 66.04 C
282
+ ATOM 282 N ARG A 36 21.124 35.181 1.521 1.00 94.92 N
283
+ ATOM 283 NE ARG A 36 24.678 37.251 -1.648 1.00 71.02 N
284
+ ATOM 284 NH1 ARG A 36 26.813 37.387 -2.522 1.00 51.72 N
285
+ ATOM 285 NH2 ARG A 36 25.915 39.169 -1.392 1.00 46.01 N
286
+ ATOM 286 O ARG A 36 20.486 33.305 -1.389 1.00 94.13 O
287
+ ATOM 287 C ALA A 37 19.639 30.990 0.157 1.00 94.38 C
288
+ ATOM 288 CA ALA A 37 21.138 31.256 0.238 1.00 94.27 C
289
+ ATOM 289 CB ALA A 37 21.777 30.363 1.299 1.00 93.69 C
290
+ ATOM 290 N ALA A 37 21.408 32.662 0.526 1.00 94.26 N
291
+ ATOM 291 O ALA A 37 19.173 30.294 -0.749 1.00 93.96 O
292
+ ATOM 292 C ILE A 38 16.816 31.992 -0.129 1.00 94.43 C
293
+ ATOM 293 CA ILE A 38 17.422 31.330 1.106 1.00 94.74 C
294
+ ATOM 294 CB ILE A 38 16.804 31.926 2.391 1.00 94.47 C
295
+ ATOM 295 CD1 ILE A 38 17.023 31.865 4.944 1.00 92.60 C
296
+ ATOM 296 CG1 ILE A 38 17.288 31.154 3.624 1.00 93.88 C
297
+ ATOM 297 CG2 ILE A 38 15.275 31.921 2.308 1.00 93.74 C
298
+ ATOM 298 N ILE A 38 18.873 31.488 1.089 1.00 94.53 N
299
+ ATOM 299 O ILE A 38 15.935 31.423 -0.777 1.00 93.79 O
300
+ ATOM 300 C GLN A 39 17.068 33.045 -2.934 1.00 94.02 C
301
+ ATOM 301 CA GLN A 39 16.849 33.871 -1.669 1.00 94.66 C
302
+ ATOM 302 CB GLN A 39 17.562 35.218 -1.792 1.00 93.84 C
303
+ ATOM 303 CD GLN A 39 17.983 37.243 -3.251 1.00 86.63 C
304
+ ATOM 304 CG GLN A 39 17.065 36.073 -2.950 1.00 90.07 C
305
+ ATOM 305 N GLN A 39 17.311 33.152 -0.486 1.00 94.85 N
306
+ ATOM 306 NE2 GLN A 39 17.517 38.161 -4.090 1.00 84.81 N
307
+ ATOM 307 O GLN A 39 16.197 32.991 -3.804 1.00 92.76 O
308
+ ATOM 308 OE1 GLN A 39 19.101 37.322 -2.733 1.00 85.09 O
309
+ ATOM 309 C ASN A 40 17.695 30.340 -4.315 1.00 93.21 C
310
+ ATOM 310 CA ASN A 40 18.584 31.572 -4.176 1.00 93.40 C
311
+ ATOM 311 CB ASN A 40 20.057 31.162 -4.122 1.00 92.10 C
312
+ ATOM 312 CG ASN A 40 20.996 32.319 -4.398 1.00 84.22 C
313
+ ATOM 313 N ASN A 40 18.228 32.360 -3.001 1.00 93.66 N
314
+ ATOM 314 ND2 ASN A 40 22.237 32.198 -3.941 1.00 74.25 N
315
+ ATOM 315 O ASN A 40 17.343 29.946 -5.428 1.00 92.26 O
316
+ ATOM 316 OD1 ASN A 40 20.610 33.315 -5.016 1.00 76.04 O
317
+ ATOM 317 C VAL A 41 15.019 28.897 -3.461 1.00 92.58 C
318
+ ATOM 318 CA VAL A 41 16.476 28.536 -3.184 1.00 92.95 C
319
+ ATOM 319 CB VAL A 41 16.590 27.766 -1.849 1.00 91.81 C
320
+ ATOM 320 CG1 VAL A 41 15.542 26.657 -1.774 1.00 82.94 C
321
+ ATOM 321 CG2 VAL A 41 17.996 27.189 -1.685 1.00 82.37 C
322
+ ATOM 322 N VAL A 41 17.293 29.744 -3.178 1.00 93.16 N
323
+ ATOM 323 O VAL A 41 14.320 28.178 -4.178 1.00 91.46 O
324
+ ATOM 324 C ALA A 42 12.780 30.809 -4.516 1.00 90.35 C
325
+ ATOM 325 CA ALA A 42 13.117 30.396 -3.086 1.00 92.00 C
326
+ ATOM 326 CB ALA A 42 12.780 31.527 -2.116 1.00 91.31 C
327
+ ATOM 327 N ALA A 42 14.524 30.024 -2.965 1.00 92.61 N
328
+ ATOM 328 O ALA A 42 11.740 30.420 -5.053 1.00 87.20 O
329
+ ATOM 329 C LYS A 43 12.277 32.947 -6.670 1.00 87.15 C
330
+ ATOM 330 CA LYS A 43 13.518 32.067 -6.557 1.00 86.72 C
331
+ ATOM 331 CB LYS A 43 13.461 30.945 -7.594 1.00 82.97 C
332
+ ATOM 332 CD LYS A 43 14.683 29.131 -8.839 1.00 70.22 C
333
+ ATOM 333 CE LYS A 43 15.959 28.303 -8.928 1.00 62.24 C
334
+ ATOM 334 CG LYS A 43 14.729 30.107 -7.672 1.00 73.53 C
335
+ ATOM 335 N LYS A 43 13.651 31.514 -5.211 1.00 88.06 N
336
+ ATOM 336 NZ LYS A 43 15.892 27.298 -10.031 1.00 56.87 N
337
+ ATOM 337 O LYS A 43 11.927 33.399 -7.761 1.00 84.11 O
338
+ ATOM 338 C ASP A 44 10.192 34.574 -4.043 1.00 93.02 C
339
+ ATOM 339 CA ASP A 44 10.362 34.127 -5.493 1.00 92.58 C
340
+ ATOM 340 CB ASP A 44 9.085 33.444 -5.985 1.00 91.06 C
341
+ ATOM 341 CG ASP A 44 8.044 34.426 -6.491 1.00 85.18 C
342
+ ATOM 342 N ASP A 44 11.508 33.233 -5.636 1.00 92.51 N
343
+ ATOM 343 O ASP A 44 10.933 34.135 -3.160 1.00 92.52 O
344
+ ATOM 344 OD1 ASP A 44 8.161 35.638 -6.207 1.00 82.13 O
345
+ ATOM 345 OD2 ASP A 44 7.096 33.985 -7.177 1.00 82.41 O
346
+ ATOM 346 C VAL A 45 8.489 34.761 -1.579 1.00 95.63 C
347
+ ATOM 347 CA VAL A 45 8.842 35.953 -2.465 1.00 95.61 C
348
+ ATOM 348 CB VAL A 45 7.704 36.999 -2.432 1.00 94.81 C
349
+ ATOM 349 CG1 VAL A 45 7.469 37.494 -1.006 1.00 90.72 C
350
+ ATOM 350 CG2 VAL A 45 8.027 38.168 -3.361 1.00 90.79 C
351
+ ATOM 351 N VAL A 45 9.109 35.496 -3.826 1.00 95.28 N
352
+ ATOM 352 O VAL A 45 7.653 33.933 -1.947 1.00 95.32 O
353
+ ATOM 353 C ALA A 46 8.869 33.945 1.921 1.00 96.08 C
354
+ ATOM 354 CA ALA A 46 8.942 33.519 0.458 1.00 95.91 C
355
+ ATOM 355 CB ALA A 46 10.072 32.513 0.255 1.00 95.33 C
356
+ ATOM 356 N ALA A 46 9.126 34.674 -0.417 1.00 95.72 N
357
+ ATOM 357 O ALA A 46 9.490 34.934 2.318 1.00 95.92 O
358
+ ATOM 358 C PHE A 47 9.407 33.158 4.789 1.00 96.04 C
359
+ ATOM 359 CA PHE A 47 8.044 33.416 4.159 1.00 96.01 C
360
+ ATOM 360 CB PHE A 47 6.987 32.518 4.810 1.00 95.55 C
361
+ ATOM 361 CD1 PHE A 47 5.368 34.302 5.534 1.00 89.20 C
362
+ ATOM 362 CD2 PHE A 47 4.556 32.515 4.168 1.00 88.93 C
363
+ ATOM 363 CE1 PHE A 47 4.094 34.865 5.563 1.00 89.50 C
364
+ ATOM 364 CE2 PHE A 47 3.281 33.072 4.192 1.00 88.95 C
365
+ ATOM 365 CG PHE A 47 5.609 33.123 4.839 1.00 93.61 C
366
+ ATOM 366 CZ PHE A 47 3.052 34.246 4.891 1.00 88.12 C
367
+ ATOM 367 N PHE A 47 8.088 33.195 2.719 1.00 95.86 N
368
+ ATOM 368 O PHE A 47 10.120 32.238 4.383 1.00 95.72 O
369
+ ATOM 369 C LEU A 48 10.186 33.238 8.086 1.00 96.09 C
370
+ ATOM 370 CA LEU A 48 10.783 33.659 6.748 1.00 96.28 C
371
+ ATOM 371 CB LEU A 48 11.675 34.889 6.939 1.00 95.99 C
372
+ ATOM 372 CD1 LEU A 48 13.276 36.599 6.045 1.00 92.86 C
373
+ ATOM 373 CD2 LEU A 48 13.346 34.245 5.179 1.00 92.44 C
374
+ ATOM 374 CG LEU A 48 12.452 35.361 5.708 1.00 95.00 C
375
+ ATOM 375 N LEU A 48 9.734 33.936 5.774 1.00 96.27 N
376
+ ATOM 376 O LEU A 48 9.089 33.673 8.445 1.00 95.63 O
377
+ ATOM 377 C GLY A 49 10.555 32.943 11.242 1.00 95.24 C
378
+ ATOM 378 CA GLY A 49 10.415 31.886 10.163 1.00 95.37 C
379
+ ATOM 379 N GLY A 49 10.854 32.343 8.854 1.00 95.35 N
380
+ ATOM 380 O GLY A 49 11.081 32.669 12.323 1.00 94.43 O
381
+ ATOM 381 C ILE A 50 8.767 35.976 11.872 1.00 95.26 C
382
+ ATOM 382 CA ILE A 50 10.131 35.304 11.745 1.00 95.54 C
383
+ ATOM 383 CB ILE A 50 11.178 36.309 11.217 1.00 95.18 C
384
+ ATOM 384 CD1 ILE A 50 13.574 36.467 10.322 1.00 91.74 C
385
+ ATOM 385 CG1 ILE A 50 12.545 35.630 11.069 1.00 93.69 C
386
+ ATOM 386 CG2 ILE A 50 11.269 37.528 12.141 1.00 93.48 C
387
+ ATOM 387 N ILE A 50 10.027 34.136 10.876 1.00 95.51 N
388
+ ATOM 388 O ILE A 50 8.061 36.156 10.876 1.00 94.66 O
389
+ ATOM 389 C THR A 51 7.334 37.989 14.537 1.00 94.69 C
390
+ ATOM 390 CA THR A 51 7.214 36.989 13.390 1.00 94.94 C
391
+ ATOM 391 CB THR A 51 6.124 35.953 13.723 1.00 93.78 C
392
+ ATOM 392 CG2 THR A 51 6.595 34.991 14.809 1.00 81.62 C
393
+ ATOM 393 N THR A 51 8.496 36.345 13.129 1.00 95.00 N
394
+ ATOM 394 O THR A 51 8.253 37.897 15.355 1.00 93.80 O
395
+ ATOM 395 OG1 THR A 51 4.949 36.633 14.179 1.00 81.05 O
396
+ ATOM 396 C ASP A 52 4.744 39.818 16.201 1.00 91.59 C
397
+ ATOM 397 CA ASP A 52 6.163 39.892 15.642 1.00 93.13 C
398
+ ATOM 398 CB ASP A 52 6.499 41.333 15.250 1.00 92.32 C
399
+ ATOM 399 CG ASP A 52 5.489 41.937 14.290 1.00 92.15 C
400
+ ATOM 400 N ASP A 52 6.325 38.999 14.499 1.00 93.39 N
401
+ ATOM 401 O ASP A 52 4.181 40.831 16.618 1.00 87.96 O
402
+ ATOM 402 OD1 ASP A 52 4.635 41.195 13.757 1.00 90.05 O
403
+ ATOM 403 OD2 ASP A 52 5.550 43.164 14.062 1.00 89.21 O
404
+ ATOM 404 C GLN A 53 2.703 38.594 18.193 1.00 90.25 C
405
+ ATOM 405 CA GLN A 53 2.824 38.427 16.681 1.00 91.31 C
406
+ ATOM 406 CB GLN A 53 2.351 37.033 16.266 1.00 89.92 C
407
+ ATOM 407 CD GLN A 53 1.577 35.514 14.395 1.00 82.66 C
408
+ ATOM 408 CG GLN A 53 2.002 36.916 14.788 1.00 85.41 C
409
+ ATOM 409 N GLN A 53 4.195 38.656 16.234 1.00 91.75 N
410
+ ATOM 410 NE2 GLN A 53 0.611 35.420 13.488 1.00 79.61 N
411
+ ATOM 411 O GLN A 53 1.668 39.039 18.692 1.00 88.08 O
412
+ ATOM 412 OE1 GLN A 53 2.113 34.523 14.902 1.00 80.40 O
413
+ ATOM 413 C ARG A 54 3.712 39.854 20.808 1.00 90.49 C
414
+ ATOM 414 CA ARG A 54 3.624 38.398 20.364 1.00 90.64 C
415
+ ATOM 415 CB ARG A 54 4.739 37.581 21.021 1.00 88.67 C
416
+ ATOM 416 CD ARG A 54 5.589 36.468 23.114 1.00 74.88 C
417
+ ATOM 417 CG ARG A 54 4.633 37.501 22.536 1.00 79.18 C
418
+ ATOM 418 CZ ARG A 54 8.032 36.115 23.263 1.00 68.21 C
419
+ ATOM 419 N ARG A 54 3.697 38.289 18.911 1.00 90.96 N
420
+ ATOM 420 NE ARG A 54 6.979 36.785 22.802 1.00 69.23 N
421
+ ATOM 421 NH1 ARG A 54 7.872 35.071 24.068 1.00 54.86 N
422
+ ATOM 422 NH2 ARG A 54 9.255 36.490 22.915 1.00 49.65 N
423
+ ATOM 423 O ARG A 54 2.930 40.300 21.651 1.00 89.06 O
424
+ ATOM 424 C THR A 55 5.237 42.693 19.232 1.00 90.46 C
425
+ ATOM 425 CA THR A 55 4.898 41.942 20.516 1.00 90.10 C
426
+ ATOM 426 CB THR A 55 6.020 42.153 21.549 1.00 89.00 C
427
+ ATOM 427 CG2 THR A 55 6.120 43.617 21.961 1.00 84.99 C
428
+ ATOM 428 N THR A 55 4.686 40.524 20.247 1.00 89.53 N
429
+ ATOM 429 O THR A 55 6.240 42.395 18.580 1.00 89.85 O
430
+ ATOM 430 OG1 THR A 55 5.748 41.358 22.710 1.00 85.80 O
431
+ ATOM 431 C GLU A 56 6.046 45.005 17.699 1.00 90.05 C
432
+ ATOM 432 CA GLU A 56 4.641 44.411 17.743 1.00 89.98 C
433
+ ATOM 433 CB GLU A 56 3.595 45.525 17.655 1.00 88.01 C
434
+ ATOM 434 CD GLU A 56 3.371 45.549 15.124 1.00 77.94 C
435
+ ATOM 435 CG GLU A 56 3.682 46.349 16.379 1.00 81.79 C
436
+ ATOM 436 N GLU A 56 4.444 43.616 18.953 1.00 89.46 N
437
+ ATOM 437 O GLU A 56 6.504 45.602 18.674 1.00 88.54 O
438
+ ATOM 438 OE1 GLU A 56 2.774 44.454 15.236 1.00 78.03 O
439
+ ATOM 439 OE2 GLU A 56 3.727 46.019 14.021 1.00 75.86 O
440
+ ATOM 440 C ASN A 57 9.120 44.634 16.994 1.00 90.51 C
441
+ ATOM 441 CA ASN A 57 8.002 45.354 16.245 1.00 90.40 C
442
+ ATOM 442 CB ASN A 57 8.042 46.854 16.543 1.00 87.76 C
443
+ ATOM 443 CG ASN A 57 7.132 47.655 15.633 1.00 78.91 C
444
+ ATOM 444 N ASN A 57 6.693 44.801 16.576 1.00 90.09 N
445
+ ATOM 445 ND2 ASN A 57 6.423 48.620 16.204 1.00 71.43 N
446
+ ATOM 446 O ASN A 57 10.269 45.080 16.981 1.00 89.30 O
447
+ ATOM 447 OD1 ASN A 57 7.067 47.407 14.426 1.00 71.99 O
448
+ ATOM 448 C VAL A 58 9.686 41.443 17.445 1.00 92.35 C
449
+ ATOM 449 CA VAL A 58 9.690 42.744 18.244 1.00 92.36 C
450
+ ATOM 450 CB VAL A 58 9.432 42.453 19.739 1.00 91.25 C
451
+ ATOM 451 CG1 VAL A 58 10.490 41.500 20.294 1.00 86.82 C
452
+ ATOM 452 CG2 VAL A 58 9.409 43.754 20.539 1.00 86.16 C
453
+ ATOM 453 N VAL A 58 8.695 43.662 17.698 1.00 92.34 N
454
+ ATOM 454 O VAL A 58 8.854 40.563 17.683 1.00 91.37 O
455
+ ATOM 455 C PHE A 59 11.411 39.101 16.287 1.00 93.66 C
456
+ ATOM 456 CA PHE A 59 10.621 40.257 15.687 1.00 94.23 C
457
+ ATOM 457 CB PHE A 59 11.236 40.675 14.348 1.00 93.80 C
458
+ ATOM 458 CD1 PHE A 59 9.438 41.097 12.639 1.00 91.37 C
459
+ ATOM 459 CD2 PHE A 59 10.473 42.979 13.691 1.00 91.16 C
460
+ ATOM 460 CE1 PHE A 59 8.631 41.952 11.892 1.00 91.46 C
461
+ ATOM 461 CE2 PHE A 59 9.669 43.840 12.948 1.00 91.54 C
462
+ ATOM 462 CG PHE A 59 10.365 41.602 13.543 1.00 93.26 C
463
+ ATOM 463 CZ PHE A 59 8.750 43.324 12.048 1.00 90.88 C
464
+ ATOM 464 N PHE A 59 10.578 41.388 16.608 1.00 93.82 N
465
+ ATOM 465 O PHE A 59 12.566 39.271 16.684 1.00 92.62 O
466
+ ATOM 466 C GLU A 60 11.223 35.564 15.952 1.00 94.33 C
467
+ ATOM 467 CA GLU A 60 11.322 36.729 16.933 1.00 94.45 C
468
+ ATOM 468 CB GLU A 60 10.588 36.387 18.232 1.00 93.41 C
469
+ ATOM 469 CD GLU A 60 9.794 37.220 20.496 1.00 85.24 C
470
+ ATOM 470 CG GLU A 60 10.716 37.453 19.310 1.00 88.36 C
471
+ ATOM 471 N GLU A 60 10.788 37.957 16.349 1.00 94.49 N
472
+ ATOM 472 O GLU A 60 10.356 35.555 15.076 1.00 93.70 O
473
+ ATOM 473 OE1 GLU A 60 8.791 36.485 20.351 1.00 82.36 O
474
+ ATOM 474 OE2 GLU A 60 10.076 37.778 21.580 1.00 82.30 O
475
+ ATOM 475 C ASP A 61 10.977 32.575 15.914 1.00 93.10 C
476
+ ATOM 476 CA ASP A 61 12.054 33.468 15.303 1.00 93.49 C
477
+ ATOM 477 CB ASP A 61 13.381 32.710 15.221 1.00 92.53 C
478
+ ATOM 478 CG ASP A 61 13.891 32.260 16.579 1.00 89.69 C
479
+ ATOM 479 N ASP A 61 12.214 34.699 16.070 1.00 93.46 N
480
+ ATOM 480 O ASP A 61 10.391 32.916 16.943 1.00 92.10 O
481
+ ATOM 481 OD1 ASP A 61 13.075 32.084 17.509 1.00 87.62 O
482
+ ATOM 482 OD2 ASP A 61 15.120 32.083 16.721 1.00 87.23 O
483
+ ATOM 483 C LEU A 62 9.837 29.919 16.985 1.00 91.28 C
484
+ ATOM 484 CA LEU A 62 9.604 30.640 15.661 1.00 92.45 C
485
+ ATOM 485 CB LEU A 62 9.310 29.623 14.557 1.00 91.61 C
486
+ ATOM 486 CD1 LEU A 62 8.623 29.069 12.209 1.00 85.77 C
487
+ ATOM 487 CD2 LEU A 62 7.613 31.048 13.377 1.00 85.68 C
488
+ ATOM 488 CG LEU A 62 8.866 30.194 13.209 1.00 89.79 C
489
+ ATOM 489 N LEU A 62 10.757 31.461 15.308 1.00 92.70 N
490
+ ATOM 490 O LEU A 62 8.936 29.254 17.501 1.00 88.75 O
491
+ ATOM 491 C THR A 63 11.277 30.664 19.983 1.00 89.27 C
492
+ ATOM 492 CA THR A 63 11.298 29.576 18.914 1.00 89.60 C
493
+ ATOM 493 CB THR A 63 12.661 28.861 18.929 1.00 87.79 C
494
+ ATOM 494 CG2 THR A 63 12.733 27.788 17.847 1.00 76.30 C
495
+ ATOM 495 N THR A 63 11.010 30.138 17.599 1.00 90.31 N
496
+ ATOM 496 O THR A 63 11.499 30.385 21.163 1.00 87.47 O
497
+ ATOM 497 OG1 THR A 63 13.700 29.822 18.703 1.00 78.45 O
498
+ ATOM 498 C GLY A 64 12.091 33.693 20.831 1.00 90.04 C
499
+ ATOM 499 CA GLY A 64 10.843 32.868 20.582 1.00 90.11 C
500
+ ATOM 500 N GLY A 64 11.040 31.815 19.600 1.00 90.05 N
501
+ ATOM 501 O GLY A 64 12.110 34.550 21.719 1.00 88.68 O
502
+ ATOM 502 C ASN A 65 14.318 35.438 19.357 1.00 92.32 C
503
+ ATOM 503 CA ASN A 65 14.349 34.183 20.224 1.00 91.92 C
504
+ ATOM 504 CB ASN A 65 15.565 33.325 19.871 1.00 90.33 C
505
+ ATOM 505 CG ASN A 65 15.747 32.152 20.815 1.00 82.45 C
506
+ ATOM 506 N ASN A 65 13.119 33.409 20.093 1.00 91.71 N
507
+ ATOM 507 ND2 ASN A 65 15.974 30.970 20.256 1.00 75.36 N
508
+ ATOM 508 O ASN A 65 13.938 35.379 18.185 1.00 91.73 O
509
+ ATOM 509 OD1 ASN A 65 15.682 32.308 22.038 1.00 76.17 O
510
+ ATOM 510 C ARG A 66 15.822 37.562 18.012 1.00 92.04 C
511
+ ATOM 511 CA ARG A 66 14.825 37.683 19.160 1.00 91.94 C
512
+ ATOM 512 CB ARG A 66 15.221 38.845 20.075 1.00 89.77 C
513
+ ATOM 513 CD ARG A 66 15.241 41.337 20.444 1.00 75.55 C
514
+ ATOM 514 CG ARG A 66 15.081 40.214 19.428 1.00 79.22 C
515
+ ATOM 515 CZ ARG A 66 15.173 43.808 20.467 1.00 66.33 C
516
+ ATOM 516 N ARG A 66 14.744 36.439 19.918 1.00 91.87 N
517
+ ATOM 517 NE ARG A 66 15.149 42.650 19.813 1.00 70.39 N
518
+ ATOM 518 NH1 ARG A 66 15.285 43.838 21.790 1.00 55.70 N
519
+ ATOM 519 NH2 ARG A 66 15.084 44.946 19.793 1.00 51.30 N
520
+ ATOM 520 O ARG A 66 16.924 37.039 18.192 1.00 91.08 O
521
+ ATOM 521 C VAL A 67 17.328 39.080 15.862 1.00 91.83 C
522
+ ATOM 522 CA VAL A 67 16.289 37.970 15.728 1.00 92.71 C
523
+ ATOM 523 CB VAL A 67 15.515 38.121 14.399 1.00 90.76 C
524
+ ATOM 524 CG1 VAL A 67 14.571 36.939 14.187 1.00 74.45 C
525
+ ATOM 525 CG2 VAL A 67 14.741 39.438 14.380 1.00 75.17 C
526
+ ATOM 526 N VAL A 67 15.390 37.994 16.878 1.00 92.93 N
527
+ ATOM 527 O VAL A 67 17.015 40.180 16.324 1.00 89.71 O
528
+ ATOM 528 C ARG A 68 20.017 40.354 14.209 1.00 92.21 C
529
+ ATOM 529 CA ARG A 68 19.674 39.797 15.587 1.00 92.02 C
530
+ ATOM 530 CB ARG A 68 20.912 39.150 16.212 1.00 89.46 C
531
+ ATOM 531 CD ARG A 68 22.013 38.197 18.267 1.00 75.20 C
532
+ ATOM 532 CG ARG A 68 20.726 38.743 17.666 1.00 78.76 C
533
+ ATOM 533 CZ ARG A 68 22.783 37.299 20.439 1.00 65.95 C
534
+ ATOM 534 N ARG A 68 18.578 38.837 15.507 1.00 92.23 N
535
+ ATOM 535 NE ARG A 68 21.816 37.741 19.639 1.00 69.04 N
536
+ ATOM 536 NH1 ARG A 68 24.041 37.245 20.015 1.00 55.58 N
537
+ ATOM 537 NH2 ARG A 68 22.492 36.908 21.670 1.00 49.98 N
538
+ ATOM 538 O ARG A 68 20.362 41.530 14.077 1.00 91.04 O
539
+ ATOM 539 C TYR A 69 18.808 40.361 11.176 1.00 94.20 C
540
+ ATOM 540 CA TYR A 69 20.108 39.937 11.849 1.00 94.38 C
541
+ ATOM 541 CB TYR A 69 20.756 38.796 11.059 1.00 94.18 C
542
+ ATOM 542 CD1 TYR A 69 21.856 39.900 9.072 1.00 93.45 C
543
+ ATOM 543 CD2 TYR A 69 19.968 38.489 8.682 1.00 93.27 C
544
+ ATOM 544 CE1 TYR A 69 21.956 40.154 7.707 1.00 92.94 C
545
+ ATOM 545 CE2 TYR A 69 20.059 38.736 7.316 1.00 93.04 C
546
+ ATOM 546 CG TYR A 69 20.862 39.066 9.578 1.00 94.13 C
547
+ ATOM 547 CZ TYR A 69 21.055 39.567 6.839 1.00 92.54 C
548
+ ATOM 548 N TYR A 69 19.874 39.535 13.231 1.00 93.91 N
549
+ ATOM 549 O TYR A 69 17.792 39.670 11.284 1.00 93.71 O
550
+ ATOM 550 OH TYR A 69 21.150 39.816 5.488 1.00 90.67 O
551
+ ATOM 551 C THR A 70 18.205 42.558 8.360 1.00 94.71 C
552
+ ATOM 552 CA THR A 70 17.741 41.991 9.698 1.00 95.06 C
553
+ ATOM 553 CB THR A 70 16.939 43.061 10.462 1.00 93.78 C
554
+ ATOM 554 CG2 THR A 70 16.493 42.544 11.826 1.00 84.87 C
555
+ ATOM 555 N THR A 70 18.878 41.522 10.482 1.00 94.90 N
556
+ ATOM 556 O THR A 70 19.349 42.998 8.229 1.00 93.83 O
557
+ ATOM 557 OG1 THR A 70 17.756 44.222 10.647 1.00 82.54 O
558
+ ATOM 558 C ASN A 71 16.372 43.611 5.482 1.00 95.62 C
559
+ ATOM 559 CA ASN A 71 17.622 42.989 6.098 1.00 95.81 C
560
+ ATOM 560 CB ASN A 71 18.179 41.898 5.179 1.00 95.29 C
561
+ ATOM 561 CG ASN A 71 18.904 42.464 3.974 1.00 93.62 C
562
+ ATOM 562 N ASN A 71 17.355 42.451 7.427 1.00 95.80 N
563
+ ATOM 563 ND2 ASN A 71 19.040 41.654 2.930 1.00 91.31 N
564
+ ATOM 564 O ASN A 71 15.926 43.191 4.414 1.00 94.81 O
565
+ ATOM 565 OD1 ASN A 71 19.338 43.619 3.980 1.00 90.12 O
566
+ ATOM 566 C TRP A 72 14.634 46.038 4.408 1.00 95.51 C
567
+ ATOM 567 CA TRP A 72 14.533 45.233 5.700 1.00 96.23 C
568
+ ATOM 568 CB TRP A 72 14.009 46.122 6.830 1.00 95.77 C
569
+ ATOM 569 CD1 TRP A 72 14.452 45.450 9.267 1.00 88.65 C
570
+ ATOM 570 CD2 TRP A 72 12.662 44.467 8.347 1.00 89.40 C
571
+ ATOM 571 CE2 TRP A 72 12.793 44.013 9.679 1.00 90.46 C
572
+ ATOM 572 CE3 TRP A 72 11.603 43.984 7.567 1.00 90.10 C
573
+ ATOM 573 CG TRP A 72 13.733 45.384 8.107 1.00 93.78 C
574
+ ATOM 574 CH2 TRP A 72 10.876 42.642 9.462 1.00 89.60 C
575
+ ATOM 575 CZ2 TRP A 72 11.903 43.098 10.247 1.00 91.08 C
576
+ ATOM 576 CZ3 TRP A 72 10.718 43.074 8.134 1.00 90.02 C
577
+ ATOM 577 N TRP A 72 15.825 44.657 6.057 1.00 95.87 N
578
+ ATOM 578 NE1 TRP A 72 13.892 44.626 10.217 1.00 92.75 N
579
+ ATOM 579 O TRP A 72 15.653 46.685 4.151 1.00 94.24 O
580
+ ATOM 580 C ASN A 73 13.202 48.313 3.043 1.00 95.48 C
581
+ ATOM 581 CA ASN A 73 13.464 46.888 2.564 1.00 96.01 C
582
+ ATOM 582 CB ASN A 73 12.332 46.420 1.647 1.00 95.30 C
583
+ ATOM 583 CG ASN A 73 12.444 46.986 0.245 1.00 90.05 C
584
+ ATOM 584 N ASN A 73 13.630 45.968 3.684 1.00 96.21 N
585
+ ATOM 585 ND2 ASN A 73 11.308 47.340 -0.343 1.00 85.15 N
586
+ ATOM 586 O ASN A 73 12.720 48.520 4.157 1.00 94.36 O
587
+ ATOM 587 OD1 ASN A 73 13.543 47.103 -0.305 1.00 83.67 O
588
+ ATOM 588 C GLU A 74 11.857 50.920 2.896 1.00 93.71 C
589
+ ATOM 589 CA GLU A 74 13.309 50.675 2.497 1.00 94.37 C
590
+ ATOM 590 CB GLU A 74 13.694 51.585 1.327 1.00 92.36 C
591
+ ATOM 591 CD GLU A 74 14.188 53.949 0.541 1.00 77.98 C
592
+ ATOM 592 CG GLU A 74 13.683 53.067 1.672 1.00 83.18 C
593
+ ATOM 593 N GLU A 74 13.533 49.275 2.152 1.00 94.48 N
594
+ ATOM 594 O GLU A 74 10.935 50.529 2.176 1.00 92.19 O
595
+ ATOM 595 OE1 GLU A 74 14.562 53.413 -0.527 1.00 78.83 O
596
+ ATOM 596 OE2 GLU A 74 14.212 55.187 0.725 1.00 77.36 O
597
+ ATOM 597 C GLY A 75 9.671 50.745 5.301 1.00 93.28 C
598
+ ATOM 598 CA GLY A 75 10.326 51.870 4.522 1.00 93.91 C
599
+ ATOM 599 N GLY A 75 11.661 51.538 4.050 1.00 93.81 N
600
+ ATOM 600 O GLY A 75 8.540 50.885 5.769 1.00 91.72 O
601
+ ATOM 601 C GLU A 76 10.542 48.149 7.494 1.00 92.68 C
602
+ ATOM 602 CA GLU A 76 9.773 48.360 6.193 1.00 94.36 C
603
+ ATOM 603 CB GLU A 76 9.829 47.093 5.336 1.00 91.92 C
604
+ ATOM 604 CD GLU A 76 7.586 47.372 4.176 1.00 74.55 C
605
+ ATOM 605 CG GLU A 76 9.089 47.212 4.012 1.00 83.57 C
606
+ ATOM 606 N GLU A 76 10.295 49.504 5.451 1.00 93.50 N
607
+ ATOM 607 O GLU A 76 11.688 48.584 7.621 1.00 89.10 O
608
+ ATOM 608 OE1 GLU A 76 7.057 47.045 5.262 1.00 82.74 O
609
+ ATOM 609 OE2 GLU A 76 6.933 47.829 3.212 1.00 82.80 O
610
+ ATOM 610 C PRO A 77 7.593 48.217 8.712 1.00 91.91 C
611
+ ATOM 611 CA PRO A 77 8.534 47.047 8.432 1.00 93.96 C
612
+ ATOM 612 CB PRO A 77 8.567 46.077 9.615 1.00 92.95 C
613
+ ATOM 613 CD PRO A 77 10.744 47.160 9.603 1.00 89.76 C
614
+ ATOM 614 CG PRO A 77 9.680 46.570 10.483 1.00 91.76 C
615
+ ATOM 615 N PRO A 77 9.932 47.465 8.298 1.00 93.36 N
616
+ ATOM 616 O PRO A 77 7.950 49.139 9.449 1.00 88.37 O
617
+ ATOM 617 C ASN A 78 4.218 49.035 8.905 1.00 89.38 C
618
+ ATOM 618 CA ASN A 78 5.583 49.426 8.348 1.00 91.73 C
619
+ ATOM 619 CB ASN A 78 5.421 50.178 7.024 1.00 90.13 C
620
+ ATOM 620 CG ASN A 78 4.881 49.296 5.915 1.00 87.47 C
621
+ ATOM 621 N ASN A 78 6.446 48.262 8.173 1.00 92.20 N
622
+ ATOM 622 ND2 ASN A 78 4.858 49.824 4.697 1.00 84.42 N
623
+ ATOM 623 O ASN A 78 3.369 49.895 9.142 1.00 85.38 O
624
+ ATOM 624 OD1 ASN A 78 4.488 48.150 6.151 1.00 83.35 O
625
+ ATOM 625 C ASN A 79 1.554 48.082 8.891 1.00 77.55 C
626
+ ATOM 626 CA ASN A 79 2.699 47.375 9.611 1.00 87.23 C
627
+ ATOM 627 CB ASN A 79 2.610 47.623 11.119 1.00 80.31 C
628
+ ATOM 628 CG ASN A 79 1.511 46.815 11.779 1.00 70.04 C
629
+ ATOM 629 N ASN A 79 3.997 47.799 9.099 1.00 88.13 N
630
+ ATOM 630 ND2 ASN A 79 0.912 47.372 12.825 1.00 62.03 N
631
+ ATOM 631 O ASN A 79 0.617 48.564 9.529 1.00 66.89 O
632
+ ATOM 632 OD1 ASN A 79 1.203 45.699 11.354 1.00 59.61 O
633
+ ATOM 633 C VAL A 80 -0.803 48.114 6.881 1.00 73.00 C
634
+ ATOM 634 CA VAL A 80 0.506 48.897 6.803 1.00 79.34 C
635
+ ATOM 635 CB VAL A 80 0.923 49.091 5.328 1.00 72.85 C
636
+ ATOM 636 CG1 VAL A 80 -0.215 49.712 4.521 1.00 60.95 C
637
+ ATOM 637 CG2 VAL A 80 2.179 49.956 5.239 1.00 58.88 C
638
+ ATOM 638 N VAL A 80 1.540 48.207 7.567 1.00 81.08 N
639
+ ATOM 639 O VAL A 80 -0.834 46.915 6.596 1.00 64.39 O
640
+ ATOM 640 C GLY A 81 -3.201 47.027 9.503 1.00 67.92 C
641
+ ATOM 641 CA GLY A 81 -3.068 47.705 8.153 1.00 67.84 C
642
+ ATOM 642 N GLY A 81 -1.743 48.253 7.916 1.00 68.47 N
643
+ ATOM 643 O GLY A 81 -4.184 46.328 9.759 1.00 63.04 O
644
+ ATOM 644 C SER A 82 -2.390 45.256 11.843 1.00 74.08 C
645
+ ATOM 645 CA SER A 82 -2.295 46.778 11.812 1.00 76.33 C
646
+ ATOM 646 CB SER A 82 -3.443 47.385 12.619 1.00 65.77 C
647
+ ATOM 647 N SER A 82 -2.310 47.280 10.442 1.00 76.31 N
648
+ ATOM 648 O SER A 82 -2.653 44.667 12.894 1.00 65.84 O
649
+ ATOM 649 OG SER A 82 -4.689 47.131 11.992 1.00 51.21 O
650
+ ATOM 650 C GLY A 83 -0.857 42.451 10.084 1.00 86.40 C
651
+ ATOM 651 CA GLY A 83 -2.054 43.140 10.712 1.00 84.58 C
652
+ ATOM 652 N GLY A 83 -1.943 44.590 10.716 1.00 83.84 N
653
+ ATOM 653 O GLY A 83 -0.891 41.246 9.829 1.00 84.27 O
654
+ ATOM 654 C GLU A 84 2.302 42.206 10.182 1.00 91.85 C
655
+ ATOM 655 CA GLU A 84 1.305 42.675 9.128 1.00 92.54 C
656
+ ATOM 656 CB GLU A 84 1.965 43.697 8.198 1.00 90.52 C
657
+ ATOM 657 CD GLU A 84 1.796 45.055 6.058 1.00 84.00 C
658
+ ATOM 658 CG GLU A 84 1.099 44.099 7.013 1.00 86.96 C
659
+ ATOM 659 N GLU A 84 0.110 43.241 9.746 1.00 91.12 N
660
+ ATOM 660 O GLU A 84 3.220 42.943 10.550 1.00 90.07 O
661
+ ATOM 661 OE1 GLU A 84 2.689 45.813 6.501 1.00 86.57 O
662
+ ATOM 662 OE2 GLU A 84 1.446 45.045 4.856 1.00 87.80 O
663
+ ATOM 663 C ASN A 85 4.052 39.376 11.181 1.00 94.35 C
664
+ ATOM 664 CA ASN A 85 3.062 40.444 11.638 1.00 94.18 C
665
+ ATOM 665 CB ASN A 85 2.139 39.884 12.723 1.00 92.75 C
666
+ ATOM 666 CG ASN A 85 1.284 40.955 13.371 1.00 86.83 C
667
+ ATOM 667 N ASN A 85 2.282 40.965 10.521 1.00 93.73 N
668
+ ATOM 668 ND2 ASN A 85 0.041 40.610 13.686 1.00 78.21 N
669
+ ATOM 669 O ASN A 85 4.776 38.805 11.999 1.00 93.70 O
670
+ ATOM 670 OD1 ASN A 85 1.736 42.082 13.587 1.00 78.75 O
671
+ ATOM 671 C CYS A 86 5.896 38.564 8.468 1.00 95.21 C
672
+ ATOM 672 CA CYS A 86 4.902 37.949 9.446 1.00 95.01 C
673
+ ATOM 673 CB CYS A 86 4.121 36.831 8.757 1.00 93.89 C
674
+ ATOM 674 N CYS A 86 3.992 38.962 9.969 1.00 94.78 N
675
+ ATOM 675 O CYS A 86 5.676 39.666 7.962 1.00 94.88 O
676
+ ATOM 676 SG CYS A 86 3.129 35.832 9.888 1.00 84.10 S
677
+ ATOM 677 C VAL A 87 8.260 37.606 6.174 1.00 96.09 C
678
+ ATOM 678 CA VAL A 87 8.067 38.428 7.446 1.00 96.08 C
679
+ ATOM 679 CB VAL A 87 9.382 38.473 8.256 1.00 95.76 C
680
+ ATOM 680 CG1 VAL A 87 10.508 39.087 7.426 1.00 94.91 C
681
+ ATOM 681 CG2 VAL A 87 9.183 39.256 9.553 1.00 94.82 C
682
+ ATOM 682 N VAL A 87 6.972 37.871 8.233 1.00 95.92 N
683
+ ATOM 683 O VAL A 87 8.250 36.373 6.217 1.00 95.86 O
684
+ ATOM 684 C VAL A 88 10.136 38.170 3.299 1.00 96.43 C
685
+ ATOM 685 CA VAL A 88 8.814 37.637 3.845 1.00 96.42 C
686
+ ATOM 686 CB VAL A 88 7.693 37.819 2.799 1.00 96.06 C
687
+ ATOM 687 CG1 VAL A 88 6.413 37.118 3.251 1.00 94.52 C
688
+ ATOM 688 CG2 VAL A 88 7.434 39.303 2.548 1.00 94.51 C
689
+ ATOM 689 N VAL A 88 8.491 38.309 5.099 1.00 96.40 N
690
+ ATOM 690 O VAL A 88 10.520 39.307 3.583 1.00 96.16 O
691
+ ATOM 691 C LEU A 89 11.566 37.962 0.347 1.00 96.37 C
692
+ ATOM 692 CA LEU A 89 11.965 37.635 1.781 1.00 96.57 C
693
+ ATOM 693 CB LEU A 89 12.955 36.467 1.793 1.00 96.16 C
694
+ ATOM 694 CD1 LEU A 89 15.141 37.692 1.904 1.00 87.51 C
695
+ ATOM 695 CD2 LEU A 89 15.042 35.393 0.901 1.00 86.60 C
696
+ ATOM 696 CG LEU A 89 14.297 36.709 1.099 1.00 93.81 C
697
+ ATOM 697 N LEU A 89 10.792 37.317 2.588 1.00 96.65 N
698
+ ATOM 698 O LEU A 89 11.026 37.109 -0.363 1.00 95.79 O
699
+ ATOM 699 C LEU A 90 12.595 39.092 -2.460 1.00 95.52 C
700
+ ATOM 700 CA LEU A 90 11.557 39.609 -1.470 1.00 95.80 C
701
+ ATOM 701 CB LEU A 90 11.489 41.137 -1.536 1.00 95.26 C
702
+ ATOM 702 CD1 LEU A 90 10.642 43.329 -0.663 1.00 89.76 C
703
+ ATOM 703 CD2 LEU A 90 9.071 41.389 -0.911 1.00 89.17 C
704
+ ATOM 704 CG LEU A 90 10.499 41.813 -0.586 1.00 93.35 C
705
+ ATOM 705 N LEU A 90 11.866 39.169 -0.115 1.00 95.93 N
706
+ ATOM 706 O LEU A 90 13.645 38.585 -2.057 1.00 94.85 O
707
+ ATOM 707 C THR A 91 14.525 39.526 -4.765 1.00 93.19 C
708
+ ATOM 708 CA THR A 91 13.202 38.768 -4.742 1.00 93.88 C
709
+ ATOM 709 CB THR A 91 12.537 38.850 -6.129 1.00 92.54 C
710
+ ATOM 710 CG2 THR A 91 11.322 37.931 -6.211 1.00 85.05 C
711
+ ATOM 711 N THR A 91 12.323 39.292 -3.702 1.00 94.18 N
712
+ ATOM 712 O THR A 91 15.520 39.033 -5.302 1.00 91.69 O
713
+ ATOM 713 OG1 THR A 91 12.118 40.199 -6.373 1.00 86.11 O
714
+ ATOM 714 C ASN A 92 16.595 41.145 -2.839 1.00 93.92 C
715
+ ATOM 715 CA ASN A 92 15.791 41.481 -4.092 1.00 93.95 C
716
+ ATOM 716 CB ASN A 92 15.503 42.982 -4.152 1.00 93.21 C
717
+ ATOM 717 CG ASN A 92 14.703 43.471 -2.961 1.00 91.01 C
718
+ ATOM 718 N ASN A 92 14.549 40.718 -4.152 1.00 94.03 N
719
+ ATOM 719 ND2 ASN A 92 14.399 44.764 -2.942 1.00 89.44 N
720
+ ATOM 720 O ASN A 92 17.633 41.755 -2.580 1.00 93.17 O
721
+ ATOM 721 OD1 ASN A 92 14.361 42.695 -2.066 1.00 88.91 O
722
+ ATOM 722 C GLY A 93 16.486 40.598 0.393 1.00 94.72 C
723
+ ATOM 723 CA GLY A 93 16.834 39.820 -0.861 1.00 94.74 C
724
+ ATOM 724 N GLY A 93 16.097 40.266 -2.034 1.00 94.46 N
725
+ ATOM 725 O GLY A 93 16.983 40.290 1.479 1.00 94.15 O
726
+ ATOM 726 C LYS A 94 13.917 41.930 1.967 1.00 96.56 C
727
+ ATOM 727 CA LYS A 94 15.193 42.483 1.341 1.00 96.45 C
728
+ ATOM 728 CB LYS A 94 14.975 43.929 0.895 1.00 95.77 C
729
+ ATOM 729 CD LYS A 94 17.258 44.852 1.415 1.00 85.29 C
730
+ ATOM 730 CE LYS A 94 18.420 45.688 0.894 1.00 77.89 C
731
+ ATOM 731 CG LYS A 94 16.219 44.598 0.330 1.00 90.48 C
732
+ ATOM 732 N LYS A 94 15.628 41.660 0.215 1.00 96.43 N
733
+ ATOM 733 NZ LYS A 94 19.308 46.154 2.001 1.00 71.87 N
734
+ ATOM 734 O LYS A 94 13.236 41.096 1.366 1.00 96.38 O
735
+ ATOM 735 C TRP A 95 11.277 42.818 3.954 1.00 95.99 C
736
+ ATOM 736 CA TRP A 95 12.459 41.856 3.979 1.00 96.42 C
737
+ ATOM 737 CB TRP A 95 12.869 41.568 5.425 1.00 96.24 C
738
+ ATOM 738 CD1 TRP A 95 14.625 39.916 4.545 1.00 92.47 C
739
+ ATOM 739 CD2 TRP A 95 14.623 40.163 6.770 1.00 92.70 C
740
+ ATOM 740 CE2 TRP A 95 15.626 39.233 6.420 1.00 93.33 C
741
+ ATOM 741 CE3 TRP A 95 14.434 40.480 8.122 1.00 95.01 C
742
+ ATOM 742 CG TRP A 95 13.996 40.587 5.555 1.00 95.26 C
743
+ ATOM 743 CH2 TRP A 95 16.233 38.945 8.689 1.00 93.75 C
744
+ ATOM 744 CZ2 TRP A 95 16.439 38.617 7.374 1.00 94.37 C
745
+ ATOM 745 CZ3 TRP A 95 15.244 39.866 9.070 1.00 94.27 C
746
+ ATOM 746 N TRP A 95 13.586 42.393 3.224 1.00 96.31 N
747
+ ATOM 747 NE1 TRP A 95 15.607 39.100 5.057 1.00 95.43 N
748
+ ATOM 748 O TRP A 95 11.461 44.037 3.895 1.00 95.04 O
749
+ ATOM 749 C ASN A 96 7.971 42.309 5.203 1.00 95.83 C
750
+ ATOM 750 CA ASN A 96 8.872 42.990 4.176 1.00 95.98 C
751
+ ATOM 751 CB ASN A 96 8.149 43.113 2.834 1.00 95.35 C
752
+ ATOM 752 CG ASN A 96 6.951 44.041 2.899 1.00 91.68 C
753
+ ATOM 753 N ASN A 96 10.134 42.277 4.015 1.00 96.06 N
754
+ ATOM 754 ND2 ASN A 96 5.929 43.746 2.105 1.00 87.17 N
755
+ ATOM 755 O ASN A 96 7.890 41.080 5.246 1.00 95.34 O
756
+ ATOM 756 OD1 ASN A 96 6.947 45.016 3.656 1.00 86.53 O
757
+ ATOM 757 C ASP A 97 4.915 42.425 6.233 1.00 94.40 C
758
+ ATOM 758 CA ASP A 97 6.266 42.512 6.937 1.00 95.19 C
759
+ ATOM 759 CB ASP A 97 6.132 43.308 8.236 1.00 94.75 C
760
+ ATOM 760 CG ASP A 97 5.680 44.740 8.011 1.00 94.33 C
761
+ ATOM 761 N ASP A 97 7.273 43.115 6.069 1.00 95.14 N
762
+ ATOM 762 O ASP A 97 4.498 43.369 5.558 1.00 93.14 O
763
+ ATOM 763 OD1 ASP A 97 6.072 45.350 6.992 1.00 93.22 O
764
+ ATOM 764 OD2 ASP A 97 4.929 45.265 8.860 1.00 92.70 O
765
+ ATOM 765 C VAL A 98 1.999 40.360 6.662 1.00 94.36 C
766
+ ATOM 766 CA VAL A 98 2.969 41.043 5.701 1.00 94.63 C
767
+ ATOM 767 CB VAL A 98 3.205 40.152 4.460 1.00 94.16 C
768
+ ATOM 768 CG1 VAL A 98 4.102 40.862 3.448 1.00 91.76 C
769
+ ATOM 769 CG2 VAL A 98 3.813 38.814 4.872 1.00 91.58 C
770
+ ATOM 770 N VAL A 98 4.220 41.342 6.389 1.00 94.68 N
771
+ ATOM 771 O VAL A 98 2.396 39.918 7.743 1.00 93.64 O
772
+ ATOM 772 C PRO A 99 0.198 37.970 7.027 1.00 93.83 C
773
+ ATOM 773 CA PRO A 99 -0.185 39.448 7.049 1.00 93.75 C
774
+ ATOM 774 CB PRO A 99 -1.540 39.670 6.373 1.00 92.91 C
775
+ ATOM 775 CD PRO A 99 0.008 41.106 5.164 1.00 89.86 C
776
+ ATOM 776 CG PRO A 99 -1.402 40.980 5.665 1.00 90.83 C
777
+ ATOM 777 N PRO A 99 0.728 40.280 6.259 1.00 93.57 N
778
+ ATOM 778 O PRO A 99 0.612 37.450 5.988 1.00 93.37 O
779
+ ATOM 779 C CYS A 100 -0.506 35.093 7.442 1.00 93.49 C
780
+ ATOM 780 CA CYS A 100 0.418 35.984 8.262 1.00 94.05 C
781
+ ATOM 781 CB CYS A 100 0.374 35.563 9.731 1.00 93.28 C
782
+ ATOM 782 N CYS A 100 0.049 37.388 8.122 1.00 93.88 N
783
+ ATOM 783 O CYS A 100 -0.197 33.925 7.201 1.00 92.34 O
784
+ ATOM 784 SG CYS A 100 1.520 36.479 10.785 1.00 93.29 S
785
+ ATOM 785 C SER A 101 -2.479 34.980 4.819 1.00 93.44 C
786
+ ATOM 786 CA SER A 101 -2.714 34.924 6.324 1.00 93.57 C
787
+ ATOM 787 CB SER A 101 -4.107 35.462 6.652 1.00 92.43 C
788
+ ATOM 788 N SER A 101 -1.692 35.673 7.048 1.00 93.70 N
789
+ ATOM 789 O SER A 101 -3.150 34.285 4.054 1.00 92.59 O
790
+ ATOM 790 OG SER A 101 -4.232 36.814 6.243 1.00 83.44 O
791
+ ATOM 791 C ASP A 102 -0.494 34.610 2.538 1.00 93.77 C
792
+ ATOM 792 CA ASP A 102 -1.258 35.863 2.959 1.00 93.70 C
793
+ ATOM 793 CB ASP A 102 -0.426 37.111 2.657 1.00 92.82 C
794
+ ATOM 794 CG ASP A 102 -1.257 38.382 2.622 1.00 88.77 C
795
+ ATOM 795 N ASP A 102 -1.610 35.812 4.375 1.00 93.65 N
796
+ ATOM 796 O ASP A 102 0.046 33.892 3.383 1.00 93.28 O
797
+ ATOM 797 OD1 ASP A 102 -2.489 38.312 2.826 1.00 85.35 O
798
+ ATOM 798 OD2 ASP A 102 -0.676 39.463 2.384 1.00 85.51 O
799
+ ATOM 799 C SER A 103 1.407 33.485 -0.017 1.00 94.25 C
800
+ ATOM 800 CA SER A 103 0.134 33.181 0.765 1.00 94.46 C
801
+ ATOM 801 CB SER A 103 -0.845 32.407 -0.120 1.00 93.09 C
802
+ ATOM 802 N SER A 103 -0.485 34.404 1.266 1.00 94.28 N
803
+ ATOM 803 O SER A 103 1.393 34.297 -0.945 1.00 93.53 O
804
+ ATOM 804 OG SER A 103 -1.942 31.930 0.641 1.00 81.13 O
805
+ ATOM 805 C PHE A 104 4.447 31.578 -0.320 1.00 95.04 C
806
+ ATOM 806 CA PHE A 104 3.753 32.933 -0.266 1.00 95.31 C
807
+ ATOM 807 CB PHE A 104 4.641 33.949 0.458 1.00 95.03 C
808
+ ATOM 808 CD1 PHE A 104 4.174 36.196 -0.575 1.00 92.67 C
809
+ ATOM 809 CD2 PHE A 104 3.394 35.781 1.646 1.00 92.40 C
810
+ ATOM 810 CE1 PHE A 104 3.636 37.480 -0.530 1.00 92.31 C
811
+ ATOM 811 CE2 PHE A 104 2.854 37.063 1.699 1.00 92.46 C
812
+ ATOM 812 CG PHE A 104 4.059 35.336 0.511 1.00 94.32 C
813
+ ATOM 813 CZ PHE A 104 2.977 37.911 0.610 1.00 91.65 C
814
+ ATOM 814 N PHE A 104 2.455 32.825 0.391 1.00 95.06 N
815
+ ATOM 815 O PHE A 104 3.997 30.619 0.308 1.00 94.42 O
816
+ ATOM 816 C LEU A 105 6.919 30.149 0.305 1.00 95.27 C
817
+ ATOM 817 CA LEU A 105 6.293 30.310 -1.077 1.00 95.27 C
818
+ ATOM 818 CB LEU A 105 7.391 30.369 -2.142 1.00 94.27 C
819
+ ATOM 819 CD1 LEU A 105 8.121 30.430 -4.540 1.00 80.30 C
820
+ ATOM 820 CD2 LEU A 105 6.069 29.140 -3.887 1.00 80.00 C
821
+ ATOM 821 CG LEU A 105 6.923 30.371 -3.598 1.00 88.72 C
822
+ ATOM 822 N LEU A 105 5.460 31.506 -1.134 1.00 95.26 N
823
+ ATOM 823 O LEU A 105 6.944 31.096 1.094 1.00 94.77 O
824
+ ATOM 824 C VAL A 106 9.396 28.008 1.634 1.00 93.73 C
825
+ ATOM 825 CA VAL A 106 8.050 28.680 1.900 1.00 93.91 C
826
+ ATOM 826 CB VAL A 106 7.185 27.792 2.823 1.00 91.81 C
827
+ ATOM 827 CG1 VAL A 106 6.915 26.436 2.171 1.00 69.48 C
828
+ ATOM 828 CG2 VAL A 106 7.865 27.610 4.178 1.00 69.65 C
829
+ ATOM 829 N VAL A 106 7.377 28.954 0.635 1.00 93.97 N
830
+ ATOM 830 O VAL A 106 9.515 27.179 0.729 1.00 92.67 O
831
+ ATOM 831 C VAL A 107 11.832 27.019 3.708 1.00 94.22 C
832
+ ATOM 832 CA VAL A 107 11.641 27.697 2.353 1.00 94.32 C
833
+ ATOM 833 CB VAL A 107 12.803 28.679 2.080 1.00 93.54 C
834
+ ATOM 834 CG1 VAL A 107 14.150 27.965 2.190 1.00 89.71 C
835
+ ATOM 835 CG2 VAL A 107 12.646 29.322 0.704 1.00 89.42 C
836
+ ATOM 836 N VAL A 107 10.349 28.373 2.316 1.00 94.18 N
837
+ ATOM 837 O VAL A 107 11.727 27.666 4.753 1.00 93.64 O
838
+ ATOM 838 C CYS A 108 13.822 24.811 5.134 1.00 93.73 C
839
+ ATOM 839 CA CYS A 108 12.323 24.958 4.907 1.00 94.01 C
840
+ ATOM 840 CB CYS A 108 11.669 23.578 4.839 1.00 93.14 C
841
+ ATOM 841 N CYS A 108 12.050 25.713 3.690 1.00 93.88 N
842
+ ATOM 842 O CYS A 108 14.587 24.668 4.178 1.00 92.96 O
843
+ ATOM 843 SG CYS A 108 9.879 23.629 4.613 1.00 91.52 S
844
+ ATOM 844 C GLU A 109 15.834 23.511 7.555 1.00 93.37 C
845
+ ATOM 845 CA GLU A 109 15.649 24.765 6.705 1.00 93.76 C
846
+ ATOM 846 CB GLU A 109 16.180 25.990 7.451 1.00 92.80 C
847
+ ATOM 847 CD GLU A 109 16.127 27.388 9.572 1.00 86.50 C
848
+ ATOM 848 CG GLU A 109 15.567 26.185 8.830 1.00 88.88 C
849
+ ATOM 849 N GLU A 109 14.247 24.953 6.342 1.00 93.88 N
850
+ ATOM 850 O GLU A 109 14.973 23.173 8.369 1.00 92.40 O
851
+ ATOM 851 OE1 GLU A 109 16.640 28.322 8.914 1.00 83.72 O
852
+ ATOM 852 OE2 GLU A 109 16.053 27.397 10.821 1.00 83.82 O
853
+ ATOM 853 C PHE A 110 18.718 21.721 8.607 1.00 90.52 C
854
+ ATOM 854 CA PHE A 110 17.315 21.620 8.021 1.00 92.19 C
855
+ ATOM 855 CB PHE A 110 17.239 20.449 7.036 1.00 91.32 C
856
+ ATOM 856 CD1 PHE A 110 14.870 19.642 6.787 1.00 87.57 C
857
+ ATOM 857 CD2 PHE A 110 15.785 21.031 5.070 1.00 87.69 C
858
+ ATOM 858 CE1 PHE A 110 13.665 19.568 6.091 1.00 88.19 C
859
+ ATOM 859 CE2 PHE A 110 14.585 20.962 4.369 1.00 88.81 C
860
+ ATOM 860 CG PHE A 110 15.939 20.372 6.283 1.00 90.07 C
861
+ ATOM 861 CZ PHE A 110 13.526 20.230 4.881 1.00 87.08 C
862
+ ATOM 862 N PHE A 110 16.935 22.866 7.366 1.00 92.09 N
863
+ ATOM 863 O PHE A 110 19.595 22.361 8.022 1.00 88.24 O
864
+ ATOM 864 C SER A 111 21.010 19.949 10.186 1.00 83.60 C
865
+ ATOM 865 CA SER A 111 20.196 21.188 10.545 1.00 84.78 C
866
+ ATOM 866 CB SER A 111 20.030 21.278 12.063 1.00 81.29 C
867
+ ATOM 867 N SER A 111 18.894 21.175 9.887 1.00 85.80 N
868
+ ATOM 868 O SER A 111 20.445 18.888 9.911 1.00 79.50 O
869
+ ATOM 869 OG SER A 111 19.374 22.481 12.427 1.00 72.09 O
870
+ TER 870 SER A 111
871
+ END
1rdl/1rdl_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1yon/1yon_ligand.mol2 ADDED
@@ -0,0 +1,139 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1yon_ligand
7
+ 60 63 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 PM 20.0290 0.1890 8.2920 P.3 1 A2R 0.2972
14
+ 2 O6M 21.1230 1.1800 8.1700 O.co2 1 A2R -0.6127
15
+ 3 O7M 19.8040 -0.9490 7.3830 O.co2 1 A2R -0.6127
16
+ 4 O3N 18.6890 0.9120 8.5990 O.3 1 A2R -0.1319
17
+ 5 O5M 20.2770 -0.5870 9.6280 O.3 1 A2R -0.2476
18
+ 6 C5M 19.8200 -1.9210 9.5530 C.3 1 A2R 0.1128
19
+ 7 C4M 20.9020 -2.9240 9.8720 C.3 1 A2R 0.1184
20
+ 8 O4M 22.2330 -2.4630 10.3750 O.3 1 A2R -0.3403
21
+ 9 C3M 20.1300 -3.3540 11.0870 C.3 1 A2R 0.1144
22
+ 10 O3M 20.5730 -4.6710 11.4580 O.3 1 A2R -0.3864
23
+ 11 C2M 20.5530 -2.2270 12.0620 C.3 1 A2R 0.1339
24
+ 12 O2M 20.4080 -2.6290 13.4280 O.3 1 A2R -0.3841
25
+ 13 C1M 22.0260 -1.9100 11.7060 C.3 1 A2R 0.1854
26
+ 14 O1N 22.3280 -0.4490 11.6890 O.3 1 A2R -0.3649
27
+ 15 PA 17.1960 0.4650 8.2290 P.3 1 A2R 0.2972
28
+ 16 O6B 16.9920 0.4180 6.7790 O.co2 1 A2R -0.6127
29
+ 17 O7B 16.8740 -0.7520 9.0820 O.co2 1 A2R -0.6127
30
+ 18 O5B 16.4200 1.6470 8.8870 O.3 1 A2R -0.2476
31
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32
+ 20 C4B 15.6100 3.9410 9.1550 C.3 1 A2R 0.1192
33
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34
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35
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36
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37
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38
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39
+ 27 N9A 12.5280 2.2000 9.4810 N.pl3 1 A2R -0.1916
40
+ 28 C4A 11.2470 2.5090 9.3650 C.ar 1 A2R 0.1613
41
+ 29 N3A 10.5870 3.7060 9.4070 N.ar 1 A2R -0.2714
42
+ 30 C2A 9.2640 3.8080 9.2570 C.ar 1 A2R 0.0533
43
+ 31 N1A 8.5870 2.5910 9.0370 N.ar 1 A2R -0.2698
44
+ 32 C6A 9.2570 1.3240 8.9740 C.ar 1 A2R 0.1298
45
+ 33 C5A 10.6120 1.2950 9.1430 C.ar 1 A2R 0.1045
46
+ 34 N7A 11.5070 0.3080 9.1030 N.2 1 A2R -0.2958
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+ 35 C8A 12.6890 0.8780 9.3320 C.2 1 A2R 0.1123
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+ 36 N6A 8.6260 0.1640 8.7590 N.pl3 1 A2R -0.3152
49
+ 37 P2 14.6140 1.7960 13.3650 P.3 1 A2R 0.2015
50
+ 38 OP1 13.5230 1.8510 14.5170 O.co2 1 A2R -0.5537
51
+ 39 OP2 14.6920 0.3550 12.8570 O.co2 1 A2R -0.5537
52
+ 40 OP3 15.9620 2.4270 13.6560 O.co2 1 A2R -0.5537
53
+ 41 H1 19.4531 -2.1109 8.5336 H 1 A2R 0.0648
54
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55
+ 43 H3 21.0359 -3.6792 9.0835 H 1 A2R 0.0651
56
+ 44 H4 19.0421 -3.3591 10.9242 H 1 A2R 0.0648
57
+ 45 H5 20.0947 -4.9601 12.2262 H 1 A2R 0.2100
58
+ 46 H6 19.9306 -1.3359 11.8931 H 1 A2R 0.0671
59
+ 47 H7 19.4992 -2.8474 13.5979 H 1 A2R 0.2101
60
+ 48 H8 22.6926 -2.4002 12.4308 H 1 A2R 0.0935
61
+ 49 H9 21.7513 -0.0147 11.0715 H 1 A2R 0.2126
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+ 50 H10 16.5198 3.0478 7.3715 H 1 A2R 0.0648
63
+ 51 H11 17.6617 3.2915 8.7365 H 1 A2R 0.0648
64
+ 52 H12 15.8386 4.9875 8.9048 H 1 A2R 0.0651
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+ 53 H13 16.4856 3.5301 11.1241 H 1 A2R 0.0651
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+ 54 H14 14.9232 4.8829 12.2390 H 1 A2R 0.2100
67
+ 55 H15 14.9467 1.6713 10.5928 H 1 A2R 0.0732
68
+ 56 H16 13.0403 4.0950 10.1260 H 1 A2R 0.1000
69
+ 57 H17 8.7469 4.7597 9.3013 H 1 A2R 0.0996
70
+ 58 H18 13.6401 0.3507 9.3893 H 1 A2R 0.1349
71
+ 59 H19 9.1618 -0.7150 8.7243 H 1 A2R 0.1820
72
+ 60 H20 7.6044 0.1500 8.6282 H 1 A2R 0.1820
73
+ @<TRIPOS>BOND
74
+ 1 1 2 ar
75
+ 2 1 3 ar
76
+ 3 1 4 1
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+ 4 1 5 1
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91
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92
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96
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104
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132
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133
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134
+ 61 35 58 1
135
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136
+ 63 36 60 1
137
+ @<TRIPOS>SUBSTRUCTURE
138
+ 1 A2R 1
139
+
1yon/1yon_ligand.sdf ADDED
@@ -0,0 +1,137 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1yon_ligand
2
+ -I-interpret-
3
+
4
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1yon/1yon_protein_processed_fix.pdb ADDED
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1z6p/1z6p_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1z6p/1z6p_protein_processed_fix.pdb ADDED
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2i3z/2i3z_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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2p3a/2p3a_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2p3a/2p3a_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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2r0y/2r0y_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2r0y/2r0y_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ M END
401
+ $$$$