USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 CYS SG : rot -22:sc= 0.0549 USER MOD Set 1.2: A 136 THR OG1 : rot 85:sc= 0.554 USER MOD Set 2.1: A 102 MET CE :methyl 146:sc=-0.00134 (180deg=-0.271) USER MOD Set 2.2: A 118 GLN : amide:sc= 0 X(o=-0.0013,f=-0.0094) USER MOD Single : A 89 GLN : amide:sc= -1.79! C(o=-1.8!,f=-6.1!) USER MOD Single : A 92 THR OG1 : rot 109:sc= 1.21 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.83) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -86:sc= 0.564 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.62 K(o=-0.62,f=-1.7) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-5.3!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -122:sc= -0.596 (180deg=-4.77!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl -157:sc= -0.415 (180deg=-1.31) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.573 K(o=-0.57,f=-1.7) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 10.242 -0.560 10.880 1.00 0.00 N ATOM 109 CA TRP A 87 9.788 -0.756 9.508 1.00 0.00 C ATOM 110 C TRP A 87 10.763 -0.131 8.516 1.00 0.00 C ATOM 111 O TRP A 87 11.286 0.959 8.749 1.00 0.00 O ATOM 112 CB TRP A 87 8.394 -0.156 9.320 1.00 0.00 C ATOM 113 CG TRP A 87 7.293 -1.041 9.822 1.00 0.00 C ATOM 114 CD1 TRP A 87 7.078 -1.429 11.113 1.00 0.00 C ATOM 115 CD2 TRP A 87 6.259 -1.650 9.040 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.972 -2.242 11.182 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.451 -2.392 9.924 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.936 -1.638 7.681 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.344 -3.115 9.490 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.836 -2.356 7.252 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.050 -3.086 8.154 1.00 0.00 C ATOM 0 HA TRP A 87 9.743 -1.828 9.317 1.00 0.00 H new ATOM 0 HB2 TRP A 87 8.346 0.802 9.839 1.00 0.00 H new ATOM 0 HB3 TRP A 87 8.233 0.046 8.261 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.687 -1.140 11.956 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.600 -2.665 12.032 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.535 -1.078 6.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.738 -3.679 10.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.577 -2.355 6.203 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.196 -3.636 7.788 1.00 0.00 H new ATOM 132 N VAL A 88 11.002 -0.826 7.409 1.00 0.00 N ATOM 133 CA VAL A 88 11.913 -0.337 6.381 1.00 0.00 C ATOM 134 C VAL A 88 11.151 0.337 5.246 1.00 0.00 C ATOM 135 O VAL A 88 9.920 0.324 5.220 1.00 0.00 O ATOM 136 CB VAL A 88 12.771 -1.478 5.803 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.626 -2.109 6.891 1.00 0.00 C ATOM 138 CG2 VAL A 88 11.887 -2.522 5.135 1.00 0.00 C ATOM 0 H VAL A 88 10.577 -1.730 7.201 1.00 0.00 H new ATOM 0 HA VAL A 88 12.567 0.393 6.859 1.00 0.00 H new ATOM 0 HB VAL A 88 13.438 -1.061 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.225 -2.913 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.285 -1.354 7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.982 -2.513 7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.509 -3.321 4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.195 -2.936 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.323 -2.058 4.326 1.00 0.00 H new ATOM 148 N GLN A 89 11.890 0.923 4.311 1.00 0.00 N ATOM 149 CA GLN A 89 11.282 1.603 3.172 1.00 0.00 C ATOM 150 C GLN A 89 10.558 0.610 2.269 1.00 0.00 C ATOM 151 O GLN A 89 9.501 0.916 1.716 1.00 0.00 O ATOM 152 CB GLN A 89 12.348 2.355 2.373 1.00 0.00 C ATOM 153 CG GLN A 89 13.455 1.459 1.842 1.00 0.00 C ATOM 154 CD GLN A 89 14.546 1.212 2.865 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.502 0.235 3.613 1.00 0.00 O ATOM 156 NE2 GLN A 89 15.534 2.099 2.904 1.00 0.00 N ATOM 0 H GLN A 89 12.910 0.941 4.318 1.00 0.00 H new ATOM 0 HA GLN A 89 10.552 2.317 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.871 2.864 1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.788 3.126 3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.028 0.505 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.892 1.915 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.531 2.894 2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.296 1.985 3.572 1.00 0.00 H new ATOM 165 N ASP A 90 11.132 -0.578 2.124 1.00 0.00 N ATOM 166 CA ASP A 90 10.541 -1.617 1.288 1.00 0.00 C ATOM 167 C ASP A 90 9.209 -2.086 1.866 1.00 0.00 C ATOM 168 O ASP A 90 8.159 -1.915 1.248 1.00 0.00 O ATOM 169 CB ASP A 90 11.499 -2.801 1.155 1.00 0.00 C ATOM 170 CG ASP A 90 12.931 -2.364 0.921 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.515 -1.737 1.829 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.469 -2.648 -0.170 1.00 0.00 O ATOM 0 H ASP A 90 12.007 -0.847 2.575 1.00 0.00 H new ATOM 0 HA ASP A 90 10.359 -1.195 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.451 -3.407 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.176 -3.435 0.329 1.00 0.00 H new ATOM 177 N GLU A 91 9.262 -2.679 3.055 1.00 0.00 N ATOM 178 CA GLU A 91 8.059 -3.175 3.714 1.00 0.00 C ATOM 179 C GLU A 91 6.962 -2.115 3.713 1.00 0.00 C ATOM 180 O GLU A 91 5.777 -2.430 3.598 1.00 0.00 O ATOM 181 CB GLU A 91 8.375 -3.596 5.151 1.00 0.00 C ATOM 182 CG GLU A 91 9.428 -4.688 5.248 1.00 0.00 C ATOM 183 CD GLU A 91 10.157 -4.679 6.577 1.00 0.00 C ATOM 184 OE1 GLU A 91 9.566 -4.214 7.574 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.318 -5.137 6.621 1.00 0.00 O ATOM 0 H GLU A 91 10.123 -2.827 3.581 1.00 0.00 H new ATOM 0 HA GLU A 91 7.703 -4.043 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.715 -2.724 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.459 -3.943 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.953 -5.659 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.150 -4.564 4.441 1.00 0.00 H new ATOM 192 N THR A 92 7.365 -0.854 3.843 1.00 0.00 N ATOM 193 CA THR A 92 6.417 0.253 3.859 1.00 0.00 C ATOM 194 C THR A 92 5.817 0.483 2.477 1.00 0.00 C ATOM 195 O THR A 92 4.625 0.260 2.263 1.00 0.00 O ATOM 196 CB THR A 92 7.084 1.556 4.340 1.00 0.00 C ATOM 197 OG1 THR A 92 7.595 1.384 5.667 1.00 0.00 O ATOM 198 CG2 THR A 92 6.093 2.711 4.318 1.00 0.00 C ATOM 0 H THR A 92 8.341 -0.575 3.939 1.00 0.00 H new ATOM 0 HA THR A 92 5.624 -0.020 4.555 1.00 0.00 H new ATOM 0 HB THR A 92 7.905 1.790 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.574 1.355 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.586 3.620 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.728 2.858 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.254 2.483 4.975 1.00 0.00 H new ATOM 206 N ARG A 93 6.649 0.929 1.542 1.00 0.00 N ATOM 207 CA ARG A 93 6.199 1.190 0.180 1.00 0.00 C ATOM 208 C ARG A 93 5.395 0.012 -0.361 1.00 0.00 C ATOM 209 O ARG A 93 4.301 0.189 -0.898 1.00 0.00 O ATOM 210 CB ARG A 93 7.397 1.465 -0.731 1.00 0.00 C ATOM 211 CG ARG A 93 7.782 2.933 -0.804 1.00 0.00 C ATOM 212 CD ARG A 93 8.154 3.480 0.565 1.00 0.00 C ATOM 213 NE ARG A 93 7.945 4.923 0.654 1.00 0.00 N ATOM 214 CZ ARG A 93 8.725 5.817 0.057 1.00 0.00 C ATOM 215 NH1 ARG A 93 9.761 5.418 -0.669 1.00 0.00 N ATOM 216 NH2 ARG A 93 8.470 7.113 0.184 1.00 0.00 N ATOM 0 H ARG A 93 7.639 1.117 1.703 1.00 0.00 H new ATOM 0 HA ARG A 93 5.555 2.070 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.253 0.891 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.169 1.108 -1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.623 3.056 -1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.952 3.508 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.559 2.980 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.199 3.252 0.775 1.00 0.00 H new ATOM 0 HE ARG A 93 7.157 5.263 1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.960 4.423 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.359 6.106 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.674 7.424 0.741 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.070 7.798 -0.275 1.00 0.00 H new ATOM 230 N SER A 94 5.944 -1.190 -0.216 1.00 0.00 N ATOM 231 CA SER A 94 5.279 -2.397 -0.694 1.00 0.00 C ATOM 232 C SER A 94 3.907 -2.554 -0.047 1.00 0.00 C ATOM 233 O SER A 94 2.884 -2.593 -0.733 1.00 0.00 O ATOM 234 CB SER A 94 6.139 -3.628 -0.400 1.00 0.00 C ATOM 235 OG SER A 94 7.220 -3.725 -1.311 1.00 0.00 O ATOM 0 H SER A 94 6.847 -1.354 0.228 1.00 0.00 H new ATOM 0 HA SER A 94 5.144 -2.306 -1.772 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.522 -3.573 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.526 -4.527 -0.462 1.00 0.00 H new ATOM 0 HG SER A 94 7.755 -4.519 -1.101 1.00 0.00 H new ATOM 241 N LEU A 95 3.892 -2.645 1.278 1.00 0.00 N ATOM 242 CA LEU A 95 2.645 -2.798 2.021 1.00 0.00 C ATOM 243 C LEU A 95 1.527 -1.982 1.381 1.00 0.00 C ATOM 244 O LEU A 95 0.448 -2.505 1.098 1.00 0.00 O ATOM 245 CB LEU A 95 2.839 -2.365 3.475 1.00 0.00 C ATOM 246 CG LEU A 95 1.563 -2.049 4.257 1.00 0.00 C ATOM 247 CD1 LEU A 95 0.692 -3.290 4.380 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.904 -1.496 5.633 1.00 0.00 C ATOM 0 H LEU A 95 4.729 -2.616 1.860 1.00 0.00 H new ATOM 0 HA LEU A 95 2.362 -3.850 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.377 -3.155 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.477 -1.482 3.488 1.00 0.00 H new ATOM 0 HG LEU A 95 1.003 -1.290 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.211 -3.047 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.419 -3.643 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.243 -4.071 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.984 -1.277 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.485 -2.233 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.487 -0.582 5.523 1.00 0.00 H new ATOM 260 N ILE A 96 1.791 -0.700 1.153 1.00 0.00 N ATOM 261 CA ILE A 96 0.808 0.186 0.543 1.00 0.00 C ATOM 262 C ILE A 96 0.369 -0.336 -0.821 1.00 0.00 C ATOM 263 O ILE A 96 -0.818 -0.328 -1.147 1.00 0.00 O ATOM 264 CB ILE A 96 1.362 1.614 0.380 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.798 2.173 1.735 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.318 2.516 -0.261 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.615 3.442 1.631 1.00 0.00 C ATOM 0 H ILE A 96 2.678 -0.252 1.382 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.052 0.213 1.213 1.00 0.00 H new ATOM 0 HB ILE A 96 2.234 1.578 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.913 2.369 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.382 1.417 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.724 3.522 -0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.052 2.124 -1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.570 2.549 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.889 3.781 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.519 3.247 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.027 4.214 1.135 1.00 0.00 H new ATOM 279 N MET A 97 1.334 -0.791 -1.613 1.00 0.00 N ATOM 280 CA MET A 97 1.046 -1.321 -2.941 1.00 0.00 C ATOM 281 C MET A 97 -0.002 -2.427 -2.870 1.00 0.00 C ATOM 282 O MET A 97 -1.130 -2.258 -3.332 1.00 0.00 O ATOM 283 CB MET A 97 2.325 -1.854 -3.589 1.00 0.00 C ATOM 284 CG MET A 97 2.254 -1.924 -5.106 1.00 0.00 C ATOM 285 SD MET A 97 3.863 -2.220 -5.863 1.00 0.00 S ATOM 286 CE MET A 97 4.030 -3.987 -5.624 1.00 0.00 C ATOM 0 H MET A 97 2.322 -0.803 -1.359 1.00 0.00 H new ATOM 0 HA MET A 97 0.650 -0.509 -3.551 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.161 -1.216 -3.302 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.534 -2.849 -3.197 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.568 -2.719 -5.397 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.842 -0.991 -5.490 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.979 -4.322 -6.041 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.001 -4.214 -4.558 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.211 -4.501 -6.127 1.00 0.00 H new ATOM 296 N PHE A 98 0.379 -3.560 -2.287 1.00 0.00 N ATOM 297 CA PHE A 98 -0.528 -4.694 -2.157 1.00 0.00 C ATOM 298 C PHE A 98 -1.928 -4.230 -1.765 1.00 0.00 C ATOM 299 O PHE A 98 -2.925 -4.693 -2.319 1.00 0.00 O ATOM 300 CB PHE A 98 0.003 -5.682 -1.116 1.00 0.00 C ATOM 301 CG PHE A 98 1.429 -6.092 -1.352 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.806 -6.682 -2.548 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.393 -5.886 -0.378 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.117 -7.060 -2.767 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.706 -6.263 -0.592 1.00 0.00 C ATOM 306 CZ PHE A 98 4.068 -6.849 -1.788 1.00 0.00 C ATOM 0 H PHE A 98 1.309 -3.716 -1.898 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.587 -5.192 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.079 -5.233 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.627 -6.571 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.067 -6.848 -3.318 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.116 -5.426 0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.398 -7.520 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.447 -6.099 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.093 -7.142 -1.958 1.00 0.00 H new ATOM 316 N ARG A 99 -1.993 -3.311 -0.807 1.00 0.00 N ATOM 317 CA ARG A 99 -3.270 -2.785 -0.339 1.00 0.00 C ATOM 318 C ARG A 99 -4.074 -2.201 -1.497 1.00 0.00 C ATOM 319 O ARG A 99 -5.186 -2.646 -1.780 1.00 0.00 O ATOM 320 CB ARG A 99 -3.044 -1.715 0.730 1.00 0.00 C ATOM 321 CG ARG A 99 -2.944 -2.274 2.140 1.00 0.00 C ATOM 322 CD ARG A 99 -4.284 -2.803 2.626 1.00 0.00 C ATOM 323 NE ARG A 99 -5.108 -1.750 3.214 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.952 -1.000 2.514 1.00 0.00 C ATOM 325 NH1 ARG A 99 -6.083 -1.186 1.208 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.667 -0.061 3.121 1.00 0.00 N ATOM 0 H ARG A 99 -1.177 -2.915 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.837 -3.609 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.129 -1.170 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -3.862 -0.996 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.205 -3.075 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.592 -1.496 2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.818 -3.258 1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.118 -3.588 3.364 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.031 -1.581 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.535 -1.907 0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.732 -0.609 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.569 0.085 4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.315 0.514 2.583 1.00 0.00 H new ATOM 340 N ARG A 100 -3.504 -1.201 -2.162 1.00 0.00 N ATOM 341 CA ARG A 100 -4.168 -0.555 -3.287 1.00 0.00 C ATOM 342 C ARG A 100 -4.800 -1.590 -4.213 1.00 0.00 C ATOM 343 O ARG A 100 -5.869 -1.362 -4.778 1.00 0.00 O ATOM 344 CB ARG A 100 -3.172 0.304 -4.069 1.00 0.00 C ATOM 345 CG ARG A 100 -2.512 1.387 -3.231 1.00 0.00 C ATOM 346 CD ARG A 100 -3.473 2.529 -2.940 1.00 0.00 C ATOM 347 NE ARG A 100 -3.588 3.448 -4.069 1.00 0.00 N ATOM 348 CZ ARG A 100 -3.974 4.713 -3.951 1.00 0.00 C ATOM 349 NH1 ARG A 100 -4.280 5.208 -2.759 1.00 0.00 N ATOM 350 NH2 ARG A 100 -4.055 5.487 -5.026 1.00 0.00 N ATOM 0 H ARG A 100 -2.584 -0.821 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.958 0.084 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.399 -0.341 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.688 0.770 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.160 0.959 -2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.637 1.771 -3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.456 2.124 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.131 3.075 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.359 3.099 -5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.219 4.617 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.576 6.180 -2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.821 5.110 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.352 6.459 -4.934 1.00 0.00 H new ATOM 364 N GLY A 101 -4.130 -2.729 -4.364 1.00 0.00 N ATOM 365 CA GLY A 101 -4.641 -3.782 -5.222 1.00 0.00 C ATOM 366 C GLY A 101 -5.936 -4.375 -4.705 1.00 0.00 C ATOM 367 O GLY A 101 -6.922 -4.464 -5.436 1.00 0.00 O ATOM 0 H GLY A 101 -3.243 -2.941 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.802 -3.384 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.893 -4.570 -5.309 1.00 0.00 H new ATOM 371 N MET A 102 -5.935 -4.782 -3.440 1.00 0.00 N ATOM 372 CA MET A 102 -7.120 -5.370 -2.825 1.00 0.00 C ATOM 373 C MET A 102 -7.889 -4.327 -2.021 1.00 0.00 C ATOM 374 O MET A 102 -8.651 -4.667 -1.115 1.00 0.00 O ATOM 375 CB MET A 102 -6.724 -6.539 -1.921 1.00 0.00 C ATOM 376 CG MET A 102 -6.202 -7.747 -2.682 1.00 0.00 C ATOM 377 SD MET A 102 -5.014 -8.710 -1.727 1.00 0.00 S ATOM 378 CE MET A 102 -5.930 -8.966 -0.208 1.00 0.00 C ATOM 0 H MET A 102 -5.127 -4.716 -2.821 1.00 0.00 H new ATOM 0 HA MET A 102 -7.767 -5.739 -3.621 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.959 -6.203 -1.221 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.589 -6.839 -1.329 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.040 -8.385 -2.961 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.733 -7.413 -3.608 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.681 -9.943 0.206 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.667 -8.190 0.510 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.999 -8.921 -0.416 1.00 0.00 H new ATOM 388 N ASP A 103 -7.685 -3.059 -2.357 1.00 0.00 N ATOM 389 CA ASP A 103 -8.361 -1.967 -1.667 1.00 0.00 C ATOM 390 C ASP A 103 -9.869 -2.032 -1.891 1.00 0.00 C ATOM 391 O ASP A 103 -10.649 -2.040 -0.940 1.00 0.00 O ATOM 392 CB ASP A 103 -7.819 -0.619 -2.146 1.00 0.00 C ATOM 393 CG ASP A 103 -8.266 0.531 -1.265 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.287 0.358 -0.029 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.597 1.604 -1.812 1.00 0.00 O ATOM 0 H ASP A 103 -7.057 -2.761 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.166 -2.069 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.730 -0.655 -2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.151 -0.440 -3.169 1.00 0.00 H new ATOM 400 N GLY A 104 -10.272 -2.077 -3.158 1.00 0.00 N ATOM 401 CA GLY A 104 -11.684 -2.139 -3.485 1.00 0.00 C ATOM 402 C GLY A 104 -12.469 -2.992 -2.507 1.00 0.00 C ATOM 403 O GLY A 104 -13.600 -2.660 -2.150 1.00 0.00 O ATOM 0 H GLY A 104 -9.645 -2.072 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.096 -1.130 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.804 -2.542 -4.491 1.00 0.00 H new ATOM 407 N LEU A 105 -11.869 -4.095 -2.073 1.00 0.00 N ATOM 408 CA LEU A 105 -12.519 -5.000 -1.132 1.00 0.00 C ATOM 409 C LEU A 105 -12.749 -4.315 0.212 1.00 0.00 C ATOM 410 O LEU A 105 -13.885 -4.187 0.670 1.00 0.00 O ATOM 411 CB LEU A 105 -11.673 -6.259 -0.937 1.00 0.00 C ATOM 412 CG LEU A 105 -11.690 -7.264 -2.089 1.00 0.00 C ATOM 413 CD1 LEU A 105 -10.575 -8.285 -1.923 1.00 0.00 C ATOM 414 CD2 LEU A 105 -13.042 -7.956 -2.174 1.00 0.00 C ATOM 0 H LEU A 105 -10.933 -4.384 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.487 -5.281 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.641 -5.955 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.014 -6.766 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 105 -11.523 -6.723 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.603 -8.992 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.612 -7.774 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.710 -8.822 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.035 -8.668 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.240 -8.484 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.821 -7.213 -2.342 1.00 0.00 H new ATOM 426 N PHE A 106 -11.663 -3.873 0.838 1.00 0.00 N ATOM 427 CA PHE A 106 -11.746 -3.199 2.128 1.00 0.00 C ATOM 428 C PHE A 106 -12.921 -2.226 2.159 1.00 0.00 C ATOM 429 O PHE A 106 -13.523 -1.997 3.208 1.00 0.00 O ATOM 430 CB PHE A 106 -10.443 -2.451 2.421 1.00 0.00 C ATOM 431 CG PHE A 106 -9.343 -3.340 2.929 1.00 0.00 C ATOM 432 CD1 PHE A 106 -8.539 -4.041 2.045 1.00 0.00 C ATOM 433 CD2 PHE A 106 -9.114 -3.473 4.288 1.00 0.00 C ATOM 434 CE1 PHE A 106 -7.527 -4.860 2.509 1.00 0.00 C ATOM 435 CE2 PHE A 106 -8.103 -4.291 4.759 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.308 -4.984 3.868 1.00 0.00 C ATOM 0 H PHE A 106 -10.716 -3.970 0.473 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.904 -3.956 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.106 -1.953 1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.639 -1.671 3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.705 -3.946 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.732 -2.932 4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.908 -5.403 1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.936 -4.387 5.822 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.516 -5.622 4.232 1.00 0.00 H new ATOM 446 N ASN A 107 -13.241 -1.657 1.002 1.00 0.00 N ATOM 447 CA ASN A 107 -14.344 -0.708 0.896 1.00 0.00 C ATOM 448 C ASN A 107 -15.683 -1.401 1.131 1.00 0.00 C ATOM 449 O ASN A 107 -16.399 -1.086 2.082 1.00 0.00 O ATOM 450 CB ASN A 107 -14.338 -0.040 -0.480 1.00 0.00 C ATOM 451 CG ASN A 107 -13.020 0.645 -0.785 1.00 0.00 C ATOM 452 OD1 ASN A 107 -12.339 1.134 0.116 1.00 0.00 O ATOM 453 ND2 ASN A 107 -12.654 0.683 -2.061 1.00 0.00 N ATOM 0 H ASN A 107 -12.753 -1.836 0.125 1.00 0.00 H new ATOM 0 HA ASN A 107 -14.210 0.054 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -14.540 -0.789 -1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.144 0.692 -0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.777 1.131 -2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -13.250 0.265 -2.775 1.00 0.00 H new ATOM 460 N THR A 108 -16.014 -2.348 0.259 1.00 0.00 N ATOM 461 CA THR A 108 -17.266 -3.086 0.371 1.00 0.00 C ATOM 462 C THR A 108 -17.011 -4.573 0.588 1.00 0.00 C ATOM 463 O THR A 108 -16.962 -5.349 -0.366 1.00 0.00 O ATOM 464 CB THR A 108 -18.140 -2.904 -0.884 1.00 0.00 C ATOM 465 OG1 THR A 108 -18.426 -1.515 -1.086 1.00 0.00 O ATOM 466 CG2 THR A 108 -19.441 -3.681 -0.755 1.00 0.00 C ATOM 0 H THR A 108 -15.432 -2.622 -0.533 1.00 0.00 H new ATOM 0 HA THR A 108 -17.794 -2.682 1.234 1.00 0.00 H new ATOM 0 HB THR A 108 -17.589 -3.289 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 108 -18.981 -1.408 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 108 -20.041 -3.537 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 108 -19.221 -4.741 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 108 -19.995 -3.322 0.113 1.00 0.00 H new ATOM 474 N SER A 109 -16.849 -4.963 1.848 1.00 0.00 N ATOM 475 CA SER A 109 -16.595 -6.358 2.190 1.00 0.00 C ATOM 476 C SER A 109 -16.576 -6.552 3.703 1.00 0.00 C ATOM 477 O SER A 109 -16.206 -5.648 4.452 1.00 0.00 O ATOM 478 CB SER A 109 -15.266 -6.819 1.588 1.00 0.00 C ATOM 479 OG SER A 109 -14.173 -6.405 2.390 1.00 0.00 O ATOM 0 H SER A 109 -16.889 -4.333 2.649 1.00 0.00 H new ATOM 0 HA SER A 109 -17.402 -6.961 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.262 -7.905 1.495 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.158 -6.413 0.582 1.00 0.00 H new ATOM 0 HG SER A 109 -13.901 -5.500 2.130 1.00 0.00 H new ATOM 485 N LYS A 110 -16.977 -7.739 4.146 1.00 0.00 N ATOM 486 CA LYS A 110 -17.006 -8.055 5.569 1.00 0.00 C ATOM 487 C LYS A 110 -15.640 -7.823 6.206 1.00 0.00 C ATOM 488 O LYS A 110 -14.716 -7.334 5.555 1.00 0.00 O ATOM 489 CB LYS A 110 -17.440 -9.507 5.781 1.00 0.00 C ATOM 490 CG LYS A 110 -18.946 -9.689 5.848 1.00 0.00 C ATOM 491 CD LYS A 110 -19.320 -11.024 6.468 1.00 0.00 C ATOM 492 CE LYS A 110 -20.827 -11.169 6.614 1.00 0.00 C ATOM 493 NZ LYS A 110 -21.455 -11.705 5.375 1.00 0.00 N ATOM 0 H LYS A 110 -17.287 -8.498 3.539 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.727 -7.393 6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -17.045 -10.118 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -16.996 -9.879 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -19.385 -8.880 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -19.366 -9.623 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -18.934 -11.834 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -18.848 -11.117 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -21.049 -11.833 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -21.264 -10.199 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -22.482 -11.789 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -21.265 -11.059 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -21.057 -12.642 5.161 1.00 0.00 H new ATOM 507 N SER A 111 -15.519 -8.177 7.481 1.00 0.00 N ATOM 508 CA SER A 111 -14.265 -8.005 8.207 1.00 0.00 C ATOM 509 C SER A 111 -13.070 -8.225 7.285 1.00 0.00 C ATOM 510 O SER A 111 -13.080 -9.118 6.438 1.00 0.00 O ATOM 511 CB SER A 111 -14.198 -8.975 9.388 1.00 0.00 C ATOM 512 OG SER A 111 -13.083 -8.694 10.215 1.00 0.00 O ATOM 0 H SER A 111 -16.273 -8.585 8.033 1.00 0.00 H new ATOM 0 HA SER A 111 -14.228 -6.983 8.583 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.115 -8.905 9.973 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.132 -9.999 9.019 1.00 0.00 H new ATOM 0 HG SER A 111 -13.063 -9.326 10.963 1.00 0.00 H new ATOM 518 N ASN A 112 -12.040 -7.402 7.456 1.00 0.00 N ATOM 519 CA ASN A 112 -10.836 -7.505 6.639 1.00 0.00 C ATOM 520 C ASN A 112 -9.841 -8.483 7.258 1.00 0.00 C ATOM 521 O ASN A 112 -8.644 -8.204 7.334 1.00 0.00 O ATOM 522 CB ASN A 112 -10.184 -6.131 6.479 1.00 0.00 C ATOM 523 CG ASN A 112 -11.199 -5.038 6.202 1.00 0.00 C ATOM 524 OD1 ASN A 112 -11.860 -5.039 5.163 1.00 0.00 O ATOM 525 ND2 ASN A 112 -11.327 -4.099 7.132 1.00 0.00 N ATOM 0 H ASN A 112 -12.015 -6.657 8.152 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.124 -7.880 5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.630 -5.887 7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.462 -6.167 5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -11.994 -3.339 7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.758 -4.138 7.978 1.00 0.00 H new ATOM 532 N LYS A 113 -10.344 -9.631 7.698 1.00 0.00 N ATOM 533 CA LYS A 113 -9.501 -10.653 8.308 1.00 0.00 C ATOM 534 C LYS A 113 -8.675 -11.379 7.252 1.00 0.00 C ATOM 535 O LYS A 113 -7.473 -11.583 7.422 1.00 0.00 O ATOM 536 CB LYS A 113 -10.360 -11.658 9.080 1.00 0.00 C ATOM 537 CG LYS A 113 -11.424 -12.328 8.228 1.00 0.00 C ATOM 538 CD LYS A 113 -12.627 -12.739 9.060 1.00 0.00 C ATOM 539 CE LYS A 113 -12.438 -14.119 9.670 1.00 0.00 C ATOM 540 NZ LYS A 113 -13.737 -14.743 10.046 1.00 0.00 N ATOM 0 H LYS A 113 -11.332 -9.878 7.644 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.819 -10.160 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.713 -12.424 9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.842 -11.147 9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.742 -11.647 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -11.001 -13.206 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.789 -12.009 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.521 -12.735 8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.919 -14.762 8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.803 -14.042 10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -13.565 -15.682 10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.222 -14.143 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.333 -14.840 9.199 1.00 0.00 H new ATOM 554 N HIS A 114 -9.327 -11.766 6.160 1.00 0.00 N ATOM 555 CA HIS A 114 -8.652 -12.468 5.075 1.00 0.00 C ATOM 556 C HIS A 114 -7.812 -11.503 4.243 1.00 0.00 C ATOM 557 O HIS A 114 -6.855 -11.907 3.582 1.00 0.00 O ATOM 558 CB HIS A 114 -9.673 -13.174 4.182 1.00 0.00 C ATOM 559 CG HIS A 114 -10.884 -12.345 3.886 1.00 0.00 C ATOM 560 ND1 HIS A 114 -11.930 -12.198 4.773 1.00 0.00 N ATOM 561 CD2 HIS A 114 -11.212 -11.614 2.795 1.00 0.00 C ATOM 562 CE1 HIS A 114 -12.850 -11.414 4.239 1.00 0.00 C ATOM 563 NE2 HIS A 114 -12.438 -11.046 3.039 1.00 0.00 N ATOM 0 H HIS A 114 -10.322 -11.605 6.003 1.00 0.00 H new ATOM 0 HA HIS A 114 -7.989 -13.213 5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.193 -13.449 3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.986 -14.100 4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.620 -11.499 1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -13.780 -11.124 4.704 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -12.948 -10.438 2.398 1.00 0.00 H new ATOM 571 N LEU A 115 -8.178 -10.226 4.279 1.00 0.00 N ATOM 572 CA LEU A 115 -7.459 -9.203 3.528 1.00 0.00 C ATOM 573 C LEU A 115 -6.100 -8.918 4.159 1.00 0.00 C ATOM 574 O LEU A 115 -5.070 -8.976 3.489 1.00 0.00 O ATOM 575 CB LEU A 115 -8.284 -7.916 3.464 1.00 0.00 C ATOM 576 CG LEU A 115 -9.746 -8.076 3.044 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.307 -6.753 2.547 1.00 0.00 C ATOM 578 CD2 LEU A 115 -9.879 -9.150 1.974 1.00 0.00 C ATOM 0 H LEU A 115 -8.968 -9.875 4.820 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.298 -9.576 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.259 -7.443 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.799 -7.232 2.767 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.322 -8.386 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.348 -6.887 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.247 -6.011 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.728 -6.412 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.926 -9.250 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.289 -8.869 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.518 -10.101 2.366 1.00 0.00 H new ATOM 590 N TRP A 116 -6.107 -8.613 5.452 1.00 0.00 N ATOM 591 CA TRP A 116 -4.874 -8.321 6.174 1.00 0.00 C ATOM 592 C TRP A 116 -3.950 -9.534 6.186 1.00 0.00 C ATOM 593 O TRP A 116 -2.748 -9.411 5.951 1.00 0.00 O ATOM 594 CB TRP A 116 -5.188 -7.890 7.608 1.00 0.00 C ATOM 595 CG TRP A 116 -5.645 -6.466 7.713 1.00 0.00 C ATOM 596 CD1 TRP A 116 -6.839 -6.023 8.206 1.00 0.00 C ATOM 597 CD2 TRP A 116 -4.916 -5.300 7.315 1.00 0.00 C ATOM 598 NE1 TRP A 116 -6.896 -4.652 8.138 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.728 -4.184 7.596 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.655 -5.090 6.750 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.319 -2.881 7.330 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.250 -3.796 6.486 1.00 0.00 C ATOM 603 CH2 TRP A 116 -4.080 -2.704 6.776 1.00 0.00 C ATOM 0 H TRP A 116 -6.952 -8.562 6.021 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.366 -7.505 5.660 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -5.960 -8.543 8.015 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.299 -8.025 8.224 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -7.623 -6.657 8.593 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.681 -4.076 8.442 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.008 -5.925 6.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -5.957 -2.039 7.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.278 -3.623 6.049 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.735 -1.704 6.558 1.00 0.00 H new ATOM 614 N GLU A 117 -4.519 -10.703 6.461 1.00 0.00 N ATOM 615 CA GLU A 117 -3.744 -11.938 6.503 1.00 0.00 C ATOM 616 C GLU A 117 -3.039 -12.184 5.173 1.00 0.00 C ATOM 617 O GLU A 117 -1.857 -12.523 5.139 1.00 0.00 O ATOM 618 CB GLU A 117 -4.651 -13.124 6.839 1.00 0.00 C ATOM 619 CG GLU A 117 -4.952 -13.259 8.323 1.00 0.00 C ATOM 620 CD GLU A 117 -3.889 -14.045 9.064 1.00 0.00 C ATOM 621 OE1 GLU A 117 -3.847 -15.283 8.903 1.00 0.00 O ATOM 622 OE2 GLU A 117 -3.099 -13.424 9.806 1.00 0.00 O ATOM 0 H GLU A 117 -5.513 -10.821 6.658 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.988 -11.836 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.589 -13.019 6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.180 -14.042 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -5.038 -12.266 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.917 -13.750 8.451 1.00 0.00 H new ATOM 629 N GLN A 118 -3.775 -12.011 4.079 1.00 0.00 N ATOM 630 CA GLN A 118 -3.220 -12.215 2.746 1.00 0.00 C ATOM 631 C GLN A 118 -2.046 -11.274 2.495 1.00 0.00 C ATOM 632 O GLN A 118 -0.929 -11.718 2.230 1.00 0.00 O ATOM 633 CB GLN A 118 -4.299 -11.999 1.683 1.00 0.00 C ATOM 634 CG GLN A 118 -5.088 -13.255 1.353 1.00 0.00 C ATOM 635 CD GLN A 118 -5.762 -13.182 -0.003 1.00 0.00 C ATOM 636 OE1 GLN A 118 -5.333 -13.830 -0.958 1.00 0.00 O ATOM 637 NE2 GLN A 118 -6.823 -12.389 -0.095 1.00 0.00 N ATOM 0 H GLN A 118 -4.756 -11.730 4.090 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.859 -13.241 2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.988 -11.228 2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.831 -11.625 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.420 -14.116 1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.844 -13.417 2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.144 -11.870 0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.317 -12.299 -0.983 1.00 0.00 H new ATOM 646 N ILE A 119 -2.308 -9.974 2.579 1.00 0.00 N ATOM 647 CA ILE A 119 -1.273 -8.972 2.361 1.00 0.00 C ATOM 648 C ILE A 119 0.005 -9.329 3.112 1.00 0.00 C ATOM 649 O ILE A 119 1.110 -9.157 2.596 1.00 0.00 O ATOM 650 CB ILE A 119 -1.741 -7.573 2.804 1.00 0.00 C ATOM 651 CG1 ILE A 119 -2.957 -7.135 1.984 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.610 -6.566 2.663 1.00 0.00 C ATOM 653 CD1 ILE A 119 -3.719 -5.984 2.602 1.00 0.00 C ATOM 0 H ILE A 119 -3.228 -9.591 2.796 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.070 -8.956 1.290 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.031 -7.619 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.627 -6.848 0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.630 -7.984 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.957 -5.582 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.230 -6.873 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.291 -6.520 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.567 -5.727 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.079 -6.274 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.061 -5.120 2.695 1.00 0.00 H new ATOM 665 N SER A 120 -0.153 -9.829 4.333 1.00 0.00 N ATOM 666 CA SER A 120 0.989 -10.209 5.157 1.00 0.00 C ATOM 667 C SER A 120 1.813 -11.297 4.475 1.00 0.00 C ATOM 668 O SER A 120 3.033 -11.182 4.352 1.00 0.00 O ATOM 669 CB SER A 120 0.515 -10.697 6.528 1.00 0.00 C ATOM 670 OG SER A 120 1.526 -11.448 7.179 1.00 0.00 O ATOM 0 H SER A 120 -1.060 -9.981 4.774 1.00 0.00 H new ATOM 0 HA SER A 120 1.619 -9.329 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.237 -9.843 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.379 -11.310 6.411 1.00 0.00 H new ATOM 0 HG SER A 120 1.200 -11.747 8.053 1.00 0.00 H new ATOM 676 N SER A 121 1.138 -12.353 4.032 1.00 0.00 N ATOM 677 CA SER A 121 1.807 -13.464 3.365 1.00 0.00 C ATOM 678 C SER A 121 2.515 -12.990 2.100 1.00 0.00 C ATOM 679 O SER A 121 3.607 -13.456 1.774 1.00 0.00 O ATOM 680 CB SER A 121 0.798 -14.560 3.019 1.00 0.00 C ATOM 681 OG SER A 121 1.441 -15.813 2.860 1.00 0.00 O ATOM 0 H SER A 121 0.128 -12.463 4.123 1.00 0.00 H new ATOM 0 HA SER A 121 2.553 -13.870 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.048 -14.630 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.272 -14.298 2.101 1.00 0.00 H new ATOM 0 HG SER A 121 0.775 -16.497 2.641 1.00 0.00 H new ATOM 687 N LYS A 122 1.886 -12.060 1.389 1.00 0.00 N ATOM 688 CA LYS A 122 2.454 -11.521 0.160 1.00 0.00 C ATOM 689 C LYS A 122 3.726 -10.731 0.449 1.00 0.00 C ATOM 690 O LYS A 122 4.829 -11.175 0.131 1.00 0.00 O ATOM 691 CB LYS A 122 1.434 -10.626 -0.548 1.00 0.00 C ATOM 692 CG LYS A 122 0.178 -11.360 -0.983 1.00 0.00 C ATOM 693 CD LYS A 122 -0.640 -10.535 -1.962 1.00 0.00 C ATOM 694 CE LYS A 122 -2.074 -11.034 -2.050 1.00 0.00 C ATOM 695 NZ LYS A 122 -2.209 -12.171 -3.002 1.00 0.00 N ATOM 0 H LYS A 122 0.981 -11.664 1.644 1.00 0.00 H new ATOM 0 HA LYS A 122 2.708 -12.358 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.155 -9.810 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.903 -10.177 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.452 -12.309 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.429 -11.595 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.636 -9.490 -1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.178 -10.576 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.411 -11.346 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -2.724 -10.218 -2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.201 -12.482 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.912 -11.866 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.609 -12.960 -2.688 1.00 0.00 H new ATOM 709 N MET A 123 3.564 -9.559 1.054 1.00 0.00 N ATOM 710 CA MET A 123 4.701 -8.708 1.388 1.00 0.00 C ATOM 711 C MET A 123 5.762 -9.494 2.152 1.00 0.00 C ATOM 712 O MET A 123 6.938 -9.133 2.148 1.00 0.00 O ATOM 713 CB MET A 123 4.241 -7.509 2.218 1.00 0.00 C ATOM 714 CG MET A 123 4.027 -7.833 3.688 1.00 0.00 C ATOM 715 SD MET A 123 5.569 -7.879 4.621 1.00 0.00 S ATOM 716 CE MET A 123 5.929 -6.130 4.766 1.00 0.00 C ATOM 0 H MET A 123 2.657 -9.177 1.323 1.00 0.00 H new ATOM 0 HA MET A 123 5.140 -8.349 0.457 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.982 -6.714 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.311 -7.124 1.800 1.00 0.00 H new ATOM 0 HG2 MET A 123 3.363 -7.088 4.127 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.526 -8.797 3.774 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.905 -5.922 4.328 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.166 -5.557 4.240 1.00 0.00 H new ATOM 0 HE3 MET A 123 5.935 -5.846 5.818 1.00 0.00 H new ATOM 726 N ARG A 124 5.337 -10.570 2.807 1.00 0.00 N ATOM 727 CA ARG A 124 6.251 -11.406 3.577 1.00 0.00 C ATOM 728 C ARG A 124 7.174 -12.196 2.654 1.00 0.00 C ATOM 729 O ARG A 124 8.389 -12.215 2.845 1.00 0.00 O ATOM 730 CB ARG A 124 5.466 -12.365 4.473 1.00 0.00 C ATOM 731 CG ARG A 124 6.336 -13.401 5.166 1.00 0.00 C ATOM 732 CD ARG A 124 5.575 -14.695 5.409 1.00 0.00 C ATOM 733 NE ARG A 124 4.773 -14.638 6.628 1.00 0.00 N ATOM 734 CZ ARG A 124 4.114 -15.680 7.124 1.00 0.00 C ATOM 735 NH1 ARG A 124 4.161 -16.853 6.507 1.00 0.00 N ATOM 736 NH2 ARG A 124 3.406 -15.549 8.238 1.00 0.00 N ATOM 0 H ARG A 124 4.366 -10.883 2.820 1.00 0.00 H new ATOM 0 HA ARG A 124 6.862 -10.754 4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.932 -11.788 5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.715 -12.877 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.217 -13.604 4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.691 -13.002 6.116 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.926 -14.899 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.281 -15.523 5.478 1.00 0.00 H new ATOM 0 HE ARG A 124 4.715 -13.750 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.704 -16.957 5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.654 -17.651 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.367 -14.648 8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.900 -16.349 8.618 1.00 0.00 H new ATOM 750 N GLU A 125 6.587 -12.845 1.653 1.00 0.00 N ATOM 751 CA GLU A 125 7.358 -13.638 0.702 1.00 0.00 C ATOM 752 C GLU A 125 8.628 -12.902 0.284 1.00 0.00 C ATOM 753 O GLU A 125 9.699 -13.500 0.178 1.00 0.00 O ATOM 754 CB GLU A 125 6.512 -13.958 -0.532 1.00 0.00 C ATOM 755 CG GLU A 125 5.604 -15.163 -0.352 1.00 0.00 C ATOM 756 CD GLU A 125 4.452 -15.178 -1.337 1.00 0.00 C ATOM 757 OE1 GLU A 125 4.292 -14.187 -2.079 1.00 0.00 O ATOM 758 OE2 GLU A 125 3.709 -16.182 -1.365 1.00 0.00 O ATOM 0 H GLU A 125 5.582 -12.837 1.480 1.00 0.00 H new ATOM 0 HA GLU A 125 7.643 -14.570 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.903 -13.089 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.174 -14.136 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.189 -16.075 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.209 -15.167 0.664 1.00 0.00 H new ATOM 765 N LYS A 126 8.500 -11.601 0.047 1.00 0.00 N ATOM 766 CA LYS A 126 9.636 -10.782 -0.359 1.00 0.00 C ATOM 767 C LYS A 126 10.858 -11.080 0.504 1.00 0.00 C ATOM 768 O LYS A 126 11.982 -11.138 0.007 1.00 0.00 O ATOM 769 CB LYS A 126 9.280 -9.296 -0.261 1.00 0.00 C ATOM 770 CG LYS A 126 8.065 -8.907 -1.084 1.00 0.00 C ATOM 771 CD LYS A 126 8.400 -8.811 -2.563 1.00 0.00 C ATOM 772 CE LYS A 126 7.495 -7.817 -3.276 1.00 0.00 C ATOM 773 NZ LYS A 126 7.850 -7.678 -4.716 1.00 0.00 N ATOM 0 H LYS A 126 7.621 -11.091 0.129 1.00 0.00 H new ATOM 0 HA LYS A 126 9.876 -11.025 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.097 -9.043 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 126 10.135 -8.704 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.274 -9.642 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.679 -7.949 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 126 9.440 -8.508 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.299 -9.793 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.458 -8.141 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.568 -6.845 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.211 -6.992 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.831 -7.344 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.756 -8.600 -5.187 1.00 0.00 H new ATOM 787 N GLY A 127 10.630 -11.270 1.800 1.00 0.00 N ATOM 788 CA GLY A 127 11.722 -11.562 2.710 1.00 0.00 C ATOM 789 C GLY A 127 11.612 -10.795 4.013 1.00 0.00 C ATOM 790 O GLY A 127 12.622 -10.448 4.625 1.00 0.00 O ATOM 0 H GLY A 127 9.709 -11.227 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.738 -12.631 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.668 -11.318 2.227 1.00 0.00 H new ATOM 794 N PHE A 128 10.381 -10.527 4.438 1.00 0.00 N ATOM 795 CA PHE A 128 10.143 -9.792 5.675 1.00 0.00 C ATOM 796 C PHE A 128 8.988 -10.409 6.459 1.00 0.00 C ATOM 797 O PHE A 128 7.822 -10.245 6.099 1.00 0.00 O ATOM 798 CB PHE A 128 9.841 -8.323 5.371 1.00 0.00 C ATOM 799 CG PHE A 128 10.706 -7.745 4.288 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.959 -7.234 4.583 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.266 -7.714 2.974 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.757 -6.701 3.588 1.00 0.00 C ATOM 803 CE2 PHE A 128 11.059 -7.182 1.975 1.00 0.00 C ATOM 804 CZ PHE A 128 12.307 -6.676 2.282 1.00 0.00 C ATOM 0 H PHE A 128 9.534 -10.808 3.944 1.00 0.00 H new ATOM 0 HA PHE A 128 11.046 -9.851 6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.795 -8.228 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.972 -7.738 6.281 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.317 -7.252 5.602 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.292 -8.110 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.732 -6.304 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.703 -7.162 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.930 -6.262 1.503 1.00 0.00 H new ATOM 814 N ASP A 129 9.321 -11.119 7.531 1.00 0.00 N ATOM 815 CA ASP A 129 8.313 -11.760 8.367 1.00 0.00 C ATOM 816 C ASP A 129 7.591 -10.732 9.232 1.00 0.00 C ATOM 817 O ASP A 129 8.107 -10.303 10.264 1.00 0.00 O ATOM 818 CB ASP A 129 8.958 -12.828 9.252 1.00 0.00 C ATOM 819 CG ASP A 129 9.007 -14.185 8.580 1.00 0.00 C ATOM 820 OD1 ASP A 129 7.937 -14.812 8.427 1.00 0.00 O ATOM 821 OD2 ASP A 129 10.115 -14.622 8.205 1.00 0.00 O ATOM 0 H ASP A 129 10.281 -11.265 7.842 1.00 0.00 H new ATOM 0 HA ASP A 129 7.582 -12.235 7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.970 -12.518 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.400 -12.908 10.185 1.00 0.00 H new ATOM 826 N ARG A 130 6.395 -10.341 8.804 1.00 0.00 N ATOM 827 CA ARG A 130 5.603 -9.361 9.538 1.00 0.00 C ATOM 828 C ARG A 130 4.384 -10.018 10.179 1.00 0.00 C ATOM 829 O ARG A 130 3.978 -11.112 9.787 1.00 0.00 O ATOM 830 CB ARG A 130 5.158 -8.233 8.607 1.00 0.00 C ATOM 831 CG ARG A 130 4.447 -7.096 9.323 1.00 0.00 C ATOM 832 CD ARG A 130 3.877 -6.087 8.339 1.00 0.00 C ATOM 833 NE ARG A 130 2.858 -6.679 7.476 1.00 0.00 N ATOM 834 CZ ARG A 130 2.544 -6.202 6.276 1.00 0.00 C ATOM 835 NH1 ARG A 130 3.167 -5.133 5.800 1.00 0.00 N ATOM 836 NH2 ARG A 130 1.606 -6.796 5.550 1.00 0.00 N ATOM 0 H ARG A 130 5.953 -10.688 7.953 1.00 0.00 H new ATOM 0 HA ARG A 130 6.227 -8.945 10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 130 6.031 -7.835 8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.495 -8.643 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.643 -7.499 9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 130 5.144 -6.596 9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 130 3.446 -5.250 8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 130 4.683 -5.685 7.725 1.00 0.00 H new ATOM 0 HE ARG A 130 2.360 -7.503 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 130 3.889 -4.674 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 130 2.924 -4.769 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 130 1.125 -7.619 5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.365 -6.429 4.629 1.00 0.00 H new ATOM 850 N SER A 131 3.805 -9.343 11.166 1.00 0.00 N ATOM 851 CA SER A 131 2.635 -9.862 11.864 1.00 0.00 C ATOM 852 C SER A 131 1.365 -9.160 11.394 1.00 0.00 C ATOM 853 O SER A 131 1.405 -8.081 10.803 1.00 0.00 O ATOM 854 CB SER A 131 2.797 -9.688 13.376 1.00 0.00 C ATOM 855 OG SER A 131 3.412 -10.825 13.957 1.00 0.00 O ATOM 0 H SER A 131 4.127 -8.435 11.501 1.00 0.00 H new ATOM 0 HA SER A 131 2.548 -10.924 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.397 -8.801 13.581 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.821 -9.525 13.833 1.00 0.00 H new ATOM 0 HG SER A 131 3.506 -10.688 14.923 1.00 0.00 H new ATOM 861 N PRO A 132 0.210 -9.787 11.660 1.00 0.00 N ATOM 862 CA PRO A 132 -1.095 -9.241 11.274 1.00 0.00 C ATOM 863 C PRO A 132 -1.467 -8.002 12.080 1.00 0.00 C ATOM 864 O PRO A 132 -2.013 -7.039 11.541 1.00 0.00 O ATOM 865 CB PRO A 132 -2.063 -10.388 11.577 1.00 0.00 C ATOM 866 CG PRO A 132 -1.386 -11.184 12.638 1.00 0.00 C ATOM 867 CD PRO A 132 0.088 -11.076 12.361 1.00 0.00 C ATOM 0 HA PRO A 132 -1.109 -8.917 10.233 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -3.028 -10.012 11.919 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -2.252 -10.991 10.689 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.626 -10.798 13.629 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.712 -12.224 12.614 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.672 -11.090 13.281 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.443 -11.903 11.746 1.00 0.00 H new ATOM 875 N ASP A 133 -1.168 -8.033 13.374 1.00 0.00 N ATOM 876 CA ASP A 133 -1.470 -6.911 14.256 1.00 0.00 C ATOM 877 C ASP A 133 -0.708 -5.661 13.825 1.00 0.00 C ATOM 878 O ASP A 133 -1.147 -4.539 14.074 1.00 0.00 O ATOM 879 CB ASP A 133 -1.121 -7.263 15.703 1.00 0.00 C ATOM 880 CG ASP A 133 -1.746 -6.305 16.698 1.00 0.00 C ATOM 881 OD1 ASP A 133 -1.849 -5.102 16.380 1.00 0.00 O ATOM 882 OD2 ASP A 133 -2.132 -6.759 17.796 1.00 0.00 O ATOM 0 H ASP A 133 -0.717 -8.823 13.836 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.538 -6.705 14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -1.458 -8.277 15.919 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -0.038 -7.254 15.825 1.00 0.00 H new ATOM 887 N MET A 134 0.435 -5.865 13.179 1.00 0.00 N ATOM 888 CA MET A 134 1.258 -4.754 12.714 1.00 0.00 C ATOM 889 C MET A 134 0.564 -3.999 11.586 1.00 0.00 C ATOM 890 O MET A 134 0.095 -2.876 11.775 1.00 0.00 O ATOM 891 CB MET A 134 2.620 -5.264 12.240 1.00 0.00 C ATOM 892 CG MET A 134 3.303 -6.189 13.235 1.00 0.00 C ATOM 893 SD MET A 134 3.791 -5.341 14.749 1.00 0.00 S ATOM 894 CE MET A 134 4.827 -4.038 14.088 1.00 0.00 C ATOM 0 H MET A 134 0.812 -6.788 12.966 1.00 0.00 H new ATOM 0 HA MET A 134 1.405 -4.069 13.549 1.00 0.00 H new ATOM 0 HB2 MET A 134 2.492 -5.791 11.295 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.270 -4.411 12.044 1.00 0.00 H new ATOM 0 HG2 MET A 134 2.630 -7.010 13.484 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.185 -6.630 12.770 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.514 -3.692 14.860 1.00 0.00 H new ATOM 0 HE2 MET A 134 5.396 -4.420 13.241 1.00 0.00 H new ATOM 0 HE3 MET A 134 4.202 -3.207 13.760 1.00 0.00 H new ATOM 904 N CYS A 135 0.503 -4.621 10.414 1.00 0.00 N ATOM 905 CA CYS A 135 -0.133 -4.006 9.254 1.00 0.00 C ATOM 906 C CYS A 135 -1.428 -3.304 9.652 1.00 0.00 C ATOM 907 O CYS A 135 -1.702 -2.186 9.213 1.00 0.00 O ATOM 908 CB CYS A 135 -0.419 -5.061 8.184 1.00 0.00 C ATOM 909 SG CYS A 135 -1.383 -6.471 8.777 1.00 0.00 S ATOM 0 H CYS A 135 0.886 -5.551 10.242 1.00 0.00 H new ATOM 0 HA CYS A 135 0.552 -3.262 8.847 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.953 -4.590 7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 135 0.528 -5.424 7.785 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.262 -6.567 10.068 1.00 0.00 H new ATOM 915 N THR A 136 -2.222 -3.968 10.486 1.00 0.00 N ATOM 916 CA THR A 136 -3.489 -3.410 10.941 1.00 0.00 C ATOM 917 C THR A 136 -3.273 -2.111 11.710 1.00 0.00 C ATOM 918 O THR A 136 -3.845 -1.075 11.371 1.00 0.00 O ATOM 919 CB THR A 136 -4.251 -4.404 11.838 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.548 -5.597 11.105 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.541 -3.786 12.356 1.00 0.00 C ATOM 0 H THR A 136 -2.010 -4.893 10.860 1.00 0.00 H new ATOM 0 HA THR A 136 -4.083 -3.207 10.050 1.00 0.00 H new ATOM 0 HB THR A 136 -3.617 -4.650 12.690 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.782 -6.207 11.148 1.00 0.00 H new ATOM 0 HG21 THR A 136 -6.062 -4.506 12.987 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.309 -2.894 12.939 1.00 0.00 H new ATOM 0 HG23 THR A 136 -6.178 -3.514 11.514 1.00 0.00 H new ATOM 929 N ASP A 137 -2.444 -2.174 12.746 1.00 0.00 N ATOM 930 CA ASP A 137 -2.151 -1.001 13.562 1.00 0.00 C ATOM 931 C ASP A 137 -1.448 0.073 12.738 1.00 0.00 C ATOM 932 O ASP A 137 -1.949 1.188 12.594 1.00 0.00 O ATOM 933 CB ASP A 137 -1.283 -1.392 14.760 1.00 0.00 C ATOM 934 CG ASP A 137 -1.340 -0.366 15.875 1.00 0.00 C ATOM 935 OD1 ASP A 137 -2.328 -0.373 16.639 1.00 0.00 O ATOM 936 OD2 ASP A 137 -0.396 0.444 15.984 1.00 0.00 O ATOM 0 H ASP A 137 -1.963 -3.024 13.041 1.00 0.00 H new ATOM 0 HA ASP A 137 -3.096 -0.595 13.924 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.611 -2.359 15.142 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -0.250 -1.512 14.433 1.00 0.00 H new ATOM 941 N LYS A 138 -0.283 -0.271 12.199 1.00 0.00 N ATOM 942 CA LYS A 138 0.491 0.663 11.389 1.00 0.00 C ATOM 943 C LYS A 138 -0.410 1.408 10.409 1.00 0.00 C ATOM 944 O LYS A 138 -0.412 2.638 10.365 1.00 0.00 O ATOM 945 CB LYS A 138 1.589 -0.080 10.626 1.00 0.00 C ATOM 946 CG LYS A 138 2.298 0.777 9.591 1.00 0.00 C ATOM 947 CD LYS A 138 3.169 1.835 10.247 1.00 0.00 C ATOM 948 CE LYS A 138 4.128 2.465 9.248 1.00 0.00 C ATOM 949 NZ LYS A 138 5.065 3.419 9.904 1.00 0.00 N ATOM 0 H LYS A 138 0.146 -1.190 12.308 1.00 0.00 H new ATOM 0 HA LYS A 138 0.951 1.391 12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.323 -0.457 11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.152 -0.947 10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.913 0.143 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.561 1.258 8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.537 2.608 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.735 1.387 11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.698 1.682 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.559 2.986 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.702 3.827 9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.523 4.181 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.626 2.917 10.621 1.00 0.00 H new ATOM 963 N TRP A 139 -1.173 0.655 9.625 1.00 0.00 N ATOM 964 CA TRP A 139 -2.079 1.245 8.646 1.00 0.00 C ATOM 965 C TRP A 139 -2.918 2.350 9.278 1.00 0.00 C ATOM 966 O TRP A 139 -2.949 3.478 8.784 1.00 0.00 O ATOM 967 CB TRP A 139 -2.992 0.170 8.053 1.00 0.00 C ATOM 968 CG TRP A 139 -3.818 0.661 6.903 1.00 0.00 C ATOM 969 CD1 TRP A 139 -5.180 0.738 6.846 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.334 1.141 5.643 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.572 1.237 5.627 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.458 1.493 4.871 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.060 1.309 5.094 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.345 2.001 3.580 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -1.949 1.813 3.812 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.086 2.155 3.067 1.00 0.00 C ATOM 0 H TRP A 139 -1.183 -0.365 9.648 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.478 1.682 7.848 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.383 -0.671 7.721 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.655 -0.205 8.833 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.851 0.449 7.642 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.536 1.392 5.333 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.178 1.050 5.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.220 2.264 3.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.970 1.946 3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.966 2.548 2.068 1.00 0.00 H new ATOM 987 N ARG A 140 -3.597 2.020 10.372 1.00 0.00 N ATOM 988 CA ARG A 140 -4.438 2.986 11.070 1.00 0.00 C ATOM 989 C ARG A 140 -3.674 4.280 11.334 1.00 0.00 C ATOM 990 O ARG A 140 -4.186 5.374 11.100 1.00 0.00 O ATOM 991 CB ARG A 140 -4.938 2.398 12.390 1.00 0.00 C ATOM 992 CG ARG A 140 -6.175 1.527 12.239 1.00 0.00 C ATOM 993 CD ARG A 140 -6.835 1.259 13.583 1.00 0.00 C ATOM 994 NE ARG A 140 -7.775 0.143 13.518 1.00 0.00 N ATOM 995 CZ ARG A 140 -8.504 -0.265 14.550 1.00 0.00 C ATOM 996 NH1 ARG A 140 -8.403 0.349 15.721 1.00 0.00 N ATOM 997 NH2 ARG A 140 -9.337 -1.288 14.413 1.00 0.00 N ATOM 0 H ARG A 140 -3.581 1.092 10.794 1.00 0.00 H new ATOM 0 HA ARG A 140 -5.294 3.213 10.434 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -4.140 1.807 12.840 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -5.159 3.212 13.080 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.887 2.016 11.574 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.901 0.581 11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.068 1.044 14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.359 2.155 13.915 1.00 0.00 H new ATOM 0 HE ARG A 140 -7.877 -0.350 12.631 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -7.764 1.137 15.830 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.964 0.034 16.512 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.418 -1.763 13.514 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.896 -1.600 15.207 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.446 4.147 11.824 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.612 5.305 12.122 1.00 0.00 C ATOM 1013 C ASN A 141 -1.295 6.089 10.851 1.00 0.00 C ATOM 1014 O ASN A 141 -1.294 7.321 10.852 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.312 4.864 12.799 1.00 0.00 C ATOM 1016 CG ASN A 141 0.716 5.977 12.856 1.00 0.00 C ATOM 1017 OD1 ASN A 141 0.370 7.158 12.852 1.00 0.00 O ATOM 1018 ND2 ASN A 141 1.990 5.603 12.909 1.00 0.00 N ATOM 0 H ASN A 141 -2.006 3.248 12.023 1.00 0.00 H new ATOM 0 HA ASN A 141 -2.165 5.954 12.801 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.530 4.522 13.811 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.106 4.014 12.259 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.727 6.307 12.949 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.231 4.612 12.910 1.00 0.00 H new ATOM 1025 N LEU A 142 -1.028 5.367 9.769 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.711 5.993 8.490 1.00 0.00 C ATOM 1027 C LEU A 142 -1.849 6.899 8.031 1.00 0.00 C ATOM 1028 O LEU A 142 -1.616 7.964 7.457 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.435 4.925 7.431 1.00 0.00 C ATOM 1030 CG LEU A 142 0.858 4.126 7.604 1.00 0.00 C ATOM 1031 CD1 LEU A 142 0.801 2.838 6.797 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.060 4.963 7.193 1.00 0.00 C ATOM 0 H LEU A 142 -1.025 4.347 9.751 1.00 0.00 H new ATOM 0 HA LEU A 142 0.183 6.602 8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.272 4.226 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.412 5.408 6.454 1.00 0.00 H new ATOM 0 HG LEU A 142 0.965 3.866 8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.729 2.283 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.038 2.231 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 142 0.671 3.076 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.971 4.379 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.961 5.253 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.111 5.857 7.815 1.00 0.00 H new ATOM 1044 N LEU A 143 -3.080 6.471 8.288 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.255 7.244 7.903 1.00 0.00 C ATOM 1046 C LEU A 143 -4.370 8.514 8.741 1.00 0.00 C ATOM 1047 O LEU A 143 -4.724 9.577 8.232 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.520 6.399 8.061 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.606 5.149 7.186 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.740 4.248 7.650 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.791 5.532 5.725 1.00 0.00 C ATOM 0 H LEU A 143 -3.290 5.592 8.762 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.145 7.530 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.601 6.094 9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.383 7.029 7.845 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.670 4.598 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.785 3.363 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.565 3.945 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.684 4.789 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.850 4.629 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.711 6.106 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.945 6.136 5.397 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.066 8.395 10.029 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.132 9.533 10.939 1.00 0.00 C ATOM 1065 C LYS A 144 -3.196 10.648 10.483 1.00 0.00 C ATOM 1066 O LYS A 144 -3.561 11.823 10.506 1.00 0.00 O ATOM 1067 CB LYS A 144 -3.769 9.098 12.360 1.00 0.00 C ATOM 1068 CG LYS A 144 -4.672 8.008 12.912 1.00 0.00 C ATOM 1069 CD LYS A 144 -5.917 8.590 13.559 1.00 0.00 C ATOM 1070 CE LYS A 144 -6.918 7.503 13.921 1.00 0.00 C ATOM 1071 NZ LYS A 144 -8.251 8.069 14.267 1.00 0.00 N ATOM 0 H LYS A 144 -3.771 7.522 10.466 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.153 9.913 10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.738 8.744 12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.815 9.965 13.019 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.961 7.332 12.107 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.123 7.416 13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.638 9.142 14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.383 9.303 12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.023 6.813 13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.538 6.926 14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -8.904 7.296 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -8.156 8.708 15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.625 8.598 13.454 1.00 0.00 H new ATOM 1085 N GLU A 145 -1.991 10.271 10.069 1.00 0.00 N ATOM 1086 CA GLU A 145 -1.005 11.241 9.608 1.00 0.00 C ATOM 1087 C GLU A 145 -1.323 11.708 8.190 1.00 0.00 C ATOM 1088 O GLU A 145 -0.992 12.830 7.806 1.00 0.00 O ATOM 1089 CB GLU A 145 0.400 10.635 9.654 1.00 0.00 C ATOM 1090 CG GLU A 145 0.522 9.324 8.895 1.00 0.00 C ATOM 1091 CD GLU A 145 1.926 8.753 8.940 1.00 0.00 C ATOM 1092 OE1 GLU A 145 2.874 9.479 8.576 1.00 0.00 O ATOM 1093 OE2 GLU A 145 2.075 7.579 9.339 1.00 0.00 O ATOM 0 H GLU A 145 -1.674 9.302 10.043 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.043 12.103 10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.110 11.352 9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.682 10.471 10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.175 8.599 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.231 9.481 7.856 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.966 10.839 7.418 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.328 11.161 6.042 1.00 0.00 C ATOM 1102 C PHE A 146 -3.327 12.314 5.998 1.00 0.00 C ATOM 1103 O PHE A 146 -3.133 13.292 5.277 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.919 9.933 5.347 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.891 9.078 4.664 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.942 9.647 3.828 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.872 7.706 4.855 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.006 8.863 3.198 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.926 6.918 4.228 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.013 7.497 3.397 1.00 0.00 C ATOM 0 H PHE A 146 -2.247 9.907 7.721 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.423 11.467 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.451 9.330 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.654 10.260 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.944 10.715 3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.605 7.247 5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 146 0.741 9.319 2.551 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.921 5.850 4.388 1.00 0.00 H new ATOM 0 HZ PHE A 146 0.751 6.882 2.904 1.00 0.00 H new