USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 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 120 SER OG : rot -27:sc= 1.03 USER MOD Set 1.2: A 135 CYS SG : rot -113:sc= 1.09 USER MOD Set 2.1: A 102 MET CE :methyl 150:sc= -3.44! (180deg=-1.55) USER MOD Set 2.2: A 118 GLN : amide:sc= -0.18 K(o=-3.6,f=-5.3) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 92 THR OG1 : rot -78:sc= 0.874 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -121:sc= 0 (180deg=-0.058) USER MOD Single : A 107 ASN : amide:sc= -0.792 K(o=-0.79,f=-3.7!) USER MOD Single : A 108 THR OG1 : rot 82:sc= 0.736 USER MOD Single : A 109 SER OG : rot 150:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 170:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.2) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.2) USER MOD Single : A 121 SER OG : rot 180:sc= 0.0018 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -147:sc= -0.465 (180deg=-1.77!) 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 158:sc= -0.0718 (180deg=-0.499) USER MOD Single : A 136 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 138 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.416) USER MOD Single : A 141 ASN : amide:sc= -0.0846 K(o=-0.085,f=-1.5) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 10.147 -0.750 10.098 1.00 0.00 N ATOM 109 CA TRP A 87 9.602 -0.719 8.745 1.00 0.00 C ATOM 110 C TRP A 87 10.466 0.142 7.830 1.00 0.00 C ATOM 111 O TRP A 87 10.555 1.357 8.007 1.00 0.00 O ATOM 112 CB TRP A 87 8.169 -0.186 8.763 1.00 0.00 C ATOM 113 CG TRP A 87 7.187 -1.143 9.370 1.00 0.00 C ATOM 114 CD1 TRP A 87 7.066 -1.465 10.691 1.00 0.00 C ATOM 115 CD2 TRP A 87 6.190 -1.902 8.677 1.00 0.00 C ATOM 116 NE1 TRP A 87 6.055 -2.379 10.862 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.501 -2.663 9.641 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.812 -2.012 7.336 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.457 -3.520 9.305 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.775 -2.864 7.004 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.107 -3.608 7.985 1.00 0.00 C ATOM 0 HA TRP A 87 9.599 -1.738 8.358 1.00 0.00 H new ATOM 0 HB2 TRP A 87 8.144 0.751 9.320 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.861 0.041 7.743 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.676 -1.060 11.485 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.764 -2.781 11.753 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.321 -1.442 6.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.941 -4.095 10.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.475 -2.957 5.971 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.300 -4.264 7.694 1.00 0.00 H new ATOM 132 N VAL A 88 11.102 -0.495 6.852 1.00 0.00 N ATOM 133 CA VAL A 88 11.958 0.214 5.908 1.00 0.00 C ATOM 134 C VAL A 88 11.160 0.707 4.706 1.00 0.00 C ATOM 135 O VAL A 88 10.001 0.337 4.524 1.00 0.00 O ATOM 136 CB VAL A 88 13.110 -0.681 5.414 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.989 -1.111 6.578 1.00 0.00 C ATOM 138 CG2 VAL A 88 12.563 -1.892 4.672 1.00 0.00 C ATOM 0 H VAL A 88 11.041 -1.501 6.693 1.00 0.00 H new ATOM 0 HA VAL A 88 12.375 1.070 6.439 1.00 0.00 H new ATOM 0 HB VAL A 88 13.723 -0.105 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.797 -1.743 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.409 -0.229 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.391 -1.670 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.391 -2.513 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.926 -2.471 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.980 -1.560 3.813 1.00 0.00 H new ATOM 148 N GLN A 89 11.790 1.544 3.888 1.00 0.00 N ATOM 149 CA GLN A 89 11.139 2.088 2.703 1.00 0.00 C ATOM 150 C GLN A 89 10.475 0.982 1.890 1.00 0.00 C ATOM 151 O GLN A 89 9.409 1.180 1.307 1.00 0.00 O ATOM 152 CB GLN A 89 12.153 2.836 1.835 1.00 0.00 C ATOM 153 CG GLN A 89 12.771 4.042 2.524 1.00 0.00 C ATOM 154 CD GLN A 89 13.813 4.733 1.668 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.221 4.216 0.627 1.00 0.00 O ATOM 156 NE2 GLN A 89 14.251 5.909 2.101 1.00 0.00 N ATOM 0 H GLN A 89 12.750 1.860 4.024 1.00 0.00 H new ATOM 0 HA GLN A 89 10.368 2.785 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.947 2.148 1.544 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.663 3.163 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.985 4.753 2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.228 3.725 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.886 6.301 2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.952 6.421 1.566 1.00 0.00 H new ATOM 165 N ASP A 90 11.112 -0.184 1.856 1.00 0.00 N ATOM 166 CA ASP A 90 10.583 -1.323 1.115 1.00 0.00 C ATOM 167 C ASP A 90 9.255 -1.786 1.707 1.00 0.00 C ATOM 168 O ASP A 90 8.209 -1.679 1.068 1.00 0.00 O ATOM 169 CB ASP A 90 11.588 -2.475 1.122 1.00 0.00 C ATOM 170 CG ASP A 90 12.913 -2.091 0.491 1.00 0.00 C ATOM 171 OD1 ASP A 90 12.917 -1.200 -0.384 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.944 -2.682 0.873 1.00 0.00 O ATOM 0 H ASP A 90 11.995 -0.365 2.333 1.00 0.00 H new ATOM 0 HA ASP A 90 10.412 -1.008 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.758 -2.799 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.166 -3.325 0.586 1.00 0.00 H new ATOM 177 N GLU A 91 9.307 -2.303 2.930 1.00 0.00 N ATOM 178 CA GLU A 91 8.108 -2.785 3.607 1.00 0.00 C ATOM 179 C GLU A 91 6.953 -1.803 3.432 1.00 0.00 C ATOM 180 O GLU A 91 5.823 -2.200 3.147 1.00 0.00 O ATOM 181 CB GLU A 91 8.388 -3.001 5.095 1.00 0.00 C ATOM 182 CG GLU A 91 9.038 -4.339 5.405 1.00 0.00 C ATOM 183 CD GLU A 91 10.537 -4.325 5.178 1.00 0.00 C ATOM 184 OE1 GLU A 91 10.962 -4.406 4.007 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.286 -4.233 6.173 1.00 0.00 O ATOM 0 H GLU A 91 10.165 -2.399 3.472 1.00 0.00 H new ATOM 0 HA GLU A 91 7.825 -3.736 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.035 -2.201 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.451 -2.925 5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.834 -4.607 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.587 -5.111 4.782 1.00 0.00 H new ATOM 192 N THR A 92 7.246 -0.518 3.606 1.00 0.00 N ATOM 193 CA THR A 92 6.233 0.522 3.470 1.00 0.00 C ATOM 194 C THR A 92 5.735 0.619 2.033 1.00 0.00 C ATOM 195 O THR A 92 4.600 0.246 1.732 1.00 0.00 O ATOM 196 CB THR A 92 6.775 1.895 3.908 1.00 0.00 C ATOM 197 OG1 THR A 92 8.190 1.955 3.691 1.00 0.00 O ATOM 198 CG2 THR A 92 6.470 2.155 5.375 1.00 0.00 C ATOM 0 H THR A 92 8.176 -0.172 3.841 1.00 0.00 H new ATOM 0 HA THR A 92 5.404 0.243 4.121 1.00 0.00 H new ATOM 0 HB THR A 92 6.283 2.662 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.651 1.468 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.863 3.131 5.661 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.391 2.138 5.531 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.937 1.383 5.986 1.00 0.00 H new ATOM 206 N ARG A 93 6.589 1.121 1.148 1.00 0.00 N ATOM 207 CA ARG A 93 6.235 1.268 -0.259 1.00 0.00 C ATOM 208 C ARG A 93 5.366 0.103 -0.725 1.00 0.00 C ATOM 209 O ARG A 93 4.280 0.304 -1.267 1.00 0.00 O ATOM 210 CB ARG A 93 7.497 1.352 -1.119 1.00 0.00 C ATOM 211 CG ARG A 93 8.057 2.760 -1.242 1.00 0.00 C ATOM 212 CD ARG A 93 7.235 3.604 -2.203 1.00 0.00 C ATOM 213 NE ARG A 93 8.026 4.675 -2.804 1.00 0.00 N ATOM 214 CZ ARG A 93 9.011 4.465 -3.670 1.00 0.00 C ATOM 215 NH1 ARG A 93 9.325 3.229 -4.034 1.00 0.00 N ATOM 216 NH2 ARG A 93 9.684 5.491 -4.173 1.00 0.00 N ATOM 0 H ARG A 93 7.532 1.433 1.380 1.00 0.00 H new ATOM 0 HA ARG A 93 5.666 2.191 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.261 0.702 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.274 0.970 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.071 3.234 -0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.089 2.713 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.830 2.967 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.386 4.034 -1.672 1.00 0.00 H new ATOM 0 HE ARG A 93 7.810 5.637 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.810 2.437 -3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.082 3.070 -4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.445 6.443 -3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.440 5.328 -4.838 1.00 0.00 H new ATOM 230 N SER A 94 5.853 -1.115 -0.509 1.00 0.00 N ATOM 231 CA SER A 94 5.124 -2.312 -0.911 1.00 0.00 C ATOM 232 C SER A 94 3.800 -2.419 -0.160 1.00 0.00 C ATOM 233 O SER A 94 2.746 -2.630 -0.762 1.00 0.00 O ATOM 234 CB SER A 94 5.970 -3.560 -0.656 1.00 0.00 C ATOM 235 OG SER A 94 6.873 -3.791 -1.723 1.00 0.00 O ATOM 0 H SER A 94 6.749 -1.299 -0.058 1.00 0.00 H new ATOM 0 HA SER A 94 4.912 -2.237 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.525 -3.443 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.319 -4.425 -0.533 1.00 0.00 H new ATOM 0 HG SER A 94 7.403 -4.593 -1.535 1.00 0.00 H new ATOM 241 N LEU A 95 3.861 -2.271 1.159 1.00 0.00 N ATOM 242 CA LEU A 95 2.668 -2.350 1.994 1.00 0.00 C ATOM 243 C LEU A 95 1.519 -1.558 1.379 1.00 0.00 C ATOM 244 O LEU A 95 0.430 -2.091 1.165 1.00 0.00 O ATOM 245 CB LEU A 95 2.970 -1.825 3.399 1.00 0.00 C ATOM 246 CG LEU A 95 1.795 -1.817 4.379 1.00 0.00 C ATOM 247 CD1 LEU A 95 1.576 -3.204 4.961 1.00 0.00 C ATOM 248 CD2 LEU A 95 2.033 -0.802 5.487 1.00 0.00 C ATOM 0 H LEU A 95 4.724 -2.096 1.673 1.00 0.00 H new ATOM 0 HA LEU A 95 2.369 -3.396 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.770 -2.429 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.351 -0.808 3.311 1.00 0.00 H new ATOM 0 HG LEU A 95 0.895 -1.528 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.736 -3.179 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.360 -3.906 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.474 -3.523 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.188 -0.809 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.943 -1.061 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.139 0.192 5.053 1.00 0.00 H new ATOM 260 N ILE A 96 1.770 -0.285 1.095 1.00 0.00 N ATOM 261 CA ILE A 96 0.757 0.579 0.501 1.00 0.00 C ATOM 262 C ILE A 96 0.289 0.033 -0.844 1.00 0.00 C ATOM 263 O ILE A 96 -0.895 0.097 -1.172 1.00 0.00 O ATOM 264 CB ILE A 96 1.285 2.013 0.305 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.846 2.557 1.621 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.179 2.917 -0.219 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.728 3.774 1.444 1.00 0.00 C ATOM 0 H ILE A 96 2.666 0.171 1.266 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.084 0.602 1.194 1.00 0.00 H new ATOM 0 HB ILE A 96 2.089 1.992 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.018 2.811 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.419 1.772 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.567 3.927 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.179 2.537 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.644 2.936 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.090 4.105 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.576 3.519 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.154 4.575 0.979 1.00 0.00 H new ATOM 279 N MET A 97 1.227 -0.504 -1.617 1.00 0.00 N ATOM 280 CA MET A 97 0.910 -1.064 -2.925 1.00 0.00 C ATOM 281 C MET A 97 -0.132 -2.171 -2.805 1.00 0.00 C ATOM 282 O MET A 97 -1.208 -2.092 -3.397 1.00 0.00 O ATOM 283 CB MET A 97 2.175 -1.609 -3.591 1.00 0.00 C ATOM 284 CG MET A 97 2.135 -1.554 -5.109 1.00 0.00 C ATOM 285 SD MET A 97 1.214 -2.926 -5.830 1.00 0.00 S ATOM 286 CE MET A 97 2.416 -4.248 -5.696 1.00 0.00 C ATOM 0 H MET A 97 2.212 -0.563 -1.360 1.00 0.00 H new ATOM 0 HA MET A 97 0.497 -0.266 -3.543 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.035 -1.041 -3.238 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.325 -2.642 -3.277 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.683 -0.613 -5.423 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.154 -1.562 -5.496 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.632 -4.645 -6.688 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.333 -3.862 -5.252 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.015 -5.042 -5.067 1.00 0.00 H new ATOM 296 N PHE A 98 0.194 -3.204 -2.034 1.00 0.00 N ATOM 297 CA PHE A 98 -0.713 -4.328 -1.837 1.00 0.00 C ATOM 298 C PHE A 98 -2.096 -3.842 -1.412 1.00 0.00 C ATOM 299 O PHE A 98 -3.113 -4.430 -1.782 1.00 0.00 O ATOM 300 CB PHE A 98 -0.152 -5.286 -0.785 1.00 0.00 C ATOM 301 CG PHE A 98 1.270 -5.695 -1.044 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.657 -6.147 -2.296 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.220 -5.627 -0.038 1.00 0.00 C ATOM 304 CE1 PHE A 98 2.965 -6.525 -2.537 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.529 -6.003 -0.273 1.00 0.00 C ATOM 306 CZ PHE A 98 3.902 -6.451 -1.525 1.00 0.00 C ATOM 0 H PHE A 98 1.080 -3.285 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.808 -4.857 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.213 -4.813 0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.777 -6.178 -0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.929 -6.205 -3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.934 -5.276 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.254 -6.878 -3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.259 -5.947 0.521 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.925 -6.743 -1.712 1.00 0.00 H new ATOM 316 N ARG A 99 -2.125 -2.766 -0.633 1.00 0.00 N ATOM 317 CA ARG A 99 -3.382 -2.202 -0.156 1.00 0.00 C ATOM 318 C ARG A 99 -4.268 -1.782 -1.325 1.00 0.00 C ATOM 319 O ARG A 99 -5.407 -2.233 -1.446 1.00 0.00 O ATOM 320 CB ARG A 99 -3.114 -1.000 0.751 1.00 0.00 C ATOM 321 CG ARG A 99 -2.290 -1.338 1.983 1.00 0.00 C ATOM 322 CD ARG A 99 -3.177 -1.657 3.176 1.00 0.00 C ATOM 323 NE ARG A 99 -2.543 -1.296 4.442 1.00 0.00 N ATOM 324 CZ ARG A 99 -1.711 -2.095 5.100 1.00 0.00 C ATOM 325 NH1 ARG A 99 -1.413 -3.293 4.615 1.00 0.00 N ATOM 326 NH2 ARG A 99 -1.173 -1.696 6.246 1.00 0.00 N ATOM 0 H ARG A 99 -1.293 -2.267 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.903 -2.971 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.596 -0.231 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.066 -0.574 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.646 -2.191 1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.638 -0.500 2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.122 -1.122 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.412 -2.721 3.179 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.751 -0.381 4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.823 -3.603 3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.774 -3.904 5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.399 -0.775 6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.534 -2.310 6.751 1.00 0.00 H new ATOM 340 N ARG A 100 -3.737 -0.917 -2.183 1.00 0.00 N ATOM 341 CA ARG A 100 -4.480 -0.436 -3.341 1.00 0.00 C ATOM 342 C ARG A 100 -5.089 -1.599 -4.118 1.00 0.00 C ATOM 343 O ARG A 100 -6.249 -1.547 -4.527 1.00 0.00 O ATOM 344 CB ARG A 100 -3.566 0.380 -4.257 1.00 0.00 C ATOM 345 CG ARG A 100 -2.865 1.529 -3.551 1.00 0.00 C ATOM 346 CD ARG A 100 -3.798 2.714 -3.353 1.00 0.00 C ATOM 347 NE ARG A 100 -4.206 3.308 -4.623 1.00 0.00 N ATOM 348 CZ ARG A 100 -4.697 4.537 -4.735 1.00 0.00 C ATOM 349 NH1 ARG A 100 -4.840 5.298 -3.659 1.00 0.00 N ATOM 350 NH2 ARG A 100 -5.045 5.008 -5.926 1.00 0.00 N ATOM 0 H ARG A 100 -2.795 -0.535 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.288 0.202 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.815 -0.281 -4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.155 0.778 -5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.494 1.191 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.998 1.841 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.682 2.391 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.301 3.468 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.109 2.749 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.573 4.940 -2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.217 6.241 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.936 4.426 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.422 5.952 -6.011 1.00 0.00 H new ATOM 364 N GLY A 101 -4.298 -2.649 -4.319 1.00 0.00 N ATOM 365 CA GLY A 101 -4.777 -3.810 -5.047 1.00 0.00 C ATOM 366 C GLY A 101 -5.928 -4.501 -4.343 1.00 0.00 C ATOM 367 O GLY A 101 -6.800 -5.082 -4.990 1.00 0.00 O ATOM 0 H GLY A 101 -3.335 -2.716 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.096 -3.504 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.958 -4.517 -5.177 1.00 0.00 H new ATOM 371 N MET A 102 -5.931 -4.440 -3.016 1.00 0.00 N ATOM 372 CA MET A 102 -6.984 -5.066 -2.225 1.00 0.00 C ATOM 373 C MET A 102 -8.100 -4.072 -1.922 1.00 0.00 C ATOM 374 O MET A 102 -9.179 -4.455 -1.469 1.00 0.00 O ATOM 375 CB MET A 102 -6.410 -5.619 -0.919 1.00 0.00 C ATOM 376 CG MET A 102 -5.304 -6.642 -1.126 1.00 0.00 C ATOM 377 SD MET A 102 -5.938 -8.312 -1.367 1.00 0.00 S ATOM 378 CE MET A 102 -6.661 -8.634 0.240 1.00 0.00 C ATOM 0 H MET A 102 -5.216 -3.964 -2.466 1.00 0.00 H new ATOM 0 HA MET A 102 -7.401 -5.888 -2.807 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.022 -4.793 -0.323 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.214 -6.077 -0.343 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.707 -6.356 -1.992 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.639 -6.631 -0.263 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.505 -9.315 0.129 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.913 -9.086 0.892 1.00 0.00 H new ATOM 0 HE3 MET A 102 -7.006 -7.697 0.678 1.00 0.00 H new ATOM 388 N ASP A 103 -7.834 -2.795 -2.175 1.00 0.00 N ATOM 389 CA ASP A 103 -8.817 -1.746 -1.930 1.00 0.00 C ATOM 390 C ASP A 103 -10.219 -2.218 -2.304 1.00 0.00 C ATOM 391 O ASP A 103 -11.173 -2.017 -1.553 1.00 0.00 O ATOM 392 CB ASP A 103 -8.460 -0.489 -2.724 1.00 0.00 C ATOM 393 CG ASP A 103 -9.120 0.756 -2.165 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.547 1.366 -1.239 1.00 0.00 O ATOM 395 OD2 ASP A 103 -10.212 1.120 -2.652 1.00 0.00 O ATOM 0 H ASP A 103 -6.946 -2.461 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.804 -1.510 -0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.378 -0.356 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.762 -0.621 -3.763 1.00 0.00 H new ATOM 400 N GLY A 104 -10.336 -2.845 -3.470 1.00 0.00 N ATOM 401 CA GLY A 104 -11.625 -3.334 -3.923 1.00 0.00 C ATOM 402 C GLY A 104 -12.305 -4.216 -2.895 1.00 0.00 C ATOM 403 O GLY A 104 -13.513 -4.111 -2.677 1.00 0.00 O ATOM 0 H GLY A 104 -9.561 -3.023 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.271 -2.487 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.492 -3.895 -4.848 1.00 0.00 H new ATOM 407 N LEU A 105 -11.529 -5.089 -2.262 1.00 0.00 N ATOM 408 CA LEU A 105 -12.064 -5.995 -1.251 1.00 0.00 C ATOM 409 C LEU A 105 -12.469 -5.231 0.006 1.00 0.00 C ATOM 410 O LEU A 105 -13.583 -5.385 0.506 1.00 0.00 O ATOM 411 CB LEU A 105 -11.029 -7.066 -0.899 1.00 0.00 C ATOM 412 CG LEU A 105 -10.595 -7.981 -2.044 1.00 0.00 C ATOM 413 CD1 LEU A 105 -9.277 -8.663 -1.712 1.00 0.00 C ATOM 414 CD2 LEU A 105 -11.673 -9.014 -2.339 1.00 0.00 C ATOM 0 H LEU A 105 -10.528 -5.189 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 105 -12.951 -6.476 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.144 -6.570 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.434 -7.686 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.450 -7.371 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.984 -9.310 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.507 -7.908 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.394 -9.260 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.347 -9.657 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.850 -9.619 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.595 -8.507 -2.622 1.00 0.00 H new ATOM 426 N PHE A 106 -11.558 -4.405 0.510 1.00 0.00 N ATOM 427 CA PHE A 106 -11.820 -3.616 1.707 1.00 0.00 C ATOM 428 C PHE A 106 -13.226 -3.023 1.670 1.00 0.00 C ATOM 429 O PHE A 106 -13.918 -2.975 2.686 1.00 0.00 O ATOM 430 CB PHE A 106 -10.786 -2.496 1.842 1.00 0.00 C ATOM 431 CG PHE A 106 -9.478 -2.955 2.419 1.00 0.00 C ATOM 432 CD1 PHE A 106 -9.295 -3.021 3.791 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.430 -3.321 1.589 1.00 0.00 C ATOM 434 CE1 PHE A 106 -8.092 -3.444 4.325 1.00 0.00 C ATOM 435 CE2 PHE A 106 -7.225 -3.745 2.117 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.056 -3.805 3.487 1.00 0.00 C ATOM 0 H PHE A 106 -10.631 -4.265 0.107 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.745 -4.276 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.607 -2.057 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.196 -1.708 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.102 -2.739 4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.556 -3.274 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.963 -3.492 5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.417 -4.029 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.115 -4.134 3.902 1.00 0.00 H new ATOM 446 N ASN A 107 -13.641 -2.572 0.490 1.00 0.00 N ATOM 447 CA ASN A 107 -14.963 -1.981 0.320 1.00 0.00 C ATOM 448 C ASN A 107 -16.017 -3.062 0.094 1.00 0.00 C ATOM 449 O ASN A 107 -16.958 -3.201 0.876 1.00 0.00 O ATOM 450 CB ASN A 107 -14.960 -1.003 -0.856 1.00 0.00 C ATOM 451 CG ASN A 107 -16.259 -0.228 -0.968 1.00 0.00 C ATOM 452 OD1 ASN A 107 -17.345 -0.798 -0.860 1.00 0.00 O ATOM 453 ND2 ASN A 107 -16.153 1.077 -1.185 1.00 0.00 N ATOM 0 H ASN A 107 -13.081 -2.605 -0.362 1.00 0.00 H new ATOM 0 HA ASN A 107 -15.212 -1.440 1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -14.132 -0.304 -0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -14.787 -1.552 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -16.993 1.650 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.232 1.507 -1.268 1.00 0.00 H new ATOM 460 N THR A 108 -15.852 -3.826 -0.981 1.00 0.00 N ATOM 461 CA THR A 108 -16.787 -4.894 -1.311 1.00 0.00 C ATOM 462 C THR A 108 -16.952 -5.861 -0.144 1.00 0.00 C ATOM 463 O THR A 108 -18.040 -5.995 0.414 1.00 0.00 O ATOM 464 CB THR A 108 -16.328 -5.679 -2.554 1.00 0.00 C ATOM 465 OG1 THR A 108 -16.097 -4.781 -3.644 1.00 0.00 O ATOM 466 CG2 THR A 108 -17.368 -6.715 -2.955 1.00 0.00 C ATOM 0 H THR A 108 -15.079 -3.725 -1.638 1.00 0.00 H new ATOM 0 HA THR A 108 -17.745 -4.420 -1.524 1.00 0.00 H new ATOM 0 HB THR A 108 -15.400 -6.195 -2.307 1.00 0.00 H new ATOM 0 HG1 THR A 108 -15.209 -4.377 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 108 -17.021 -7.257 -3.835 1.00 0.00 H new ATOM 0 HG22 THR A 108 -17.519 -7.416 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 108 -18.310 -6.216 -3.184 1.00 0.00 H new ATOM 474 N SER A 109 -15.864 -6.532 0.220 1.00 0.00 N ATOM 475 CA SER A 109 -15.889 -7.490 1.319 1.00 0.00 C ATOM 476 C SER A 109 -16.340 -6.820 2.613 1.00 0.00 C ATOM 477 O SER A 109 -16.164 -5.615 2.797 1.00 0.00 O ATOM 478 CB SER A 109 -14.506 -8.115 1.510 1.00 0.00 C ATOM 479 OG SER A 109 -14.595 -9.350 2.199 1.00 0.00 O ATOM 0 H SER A 109 -14.954 -6.430 -0.230 1.00 0.00 H new ATOM 0 HA SER A 109 -16.603 -8.275 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.036 -8.270 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.867 -7.429 2.067 1.00 0.00 H new ATOM 0 HG SER A 109 -13.866 -9.939 1.911 1.00 0.00 H new ATOM 485 N LYS A 110 -16.923 -7.609 3.509 1.00 0.00 N ATOM 486 CA LYS A 110 -17.400 -7.095 4.787 1.00 0.00 C ATOM 487 C LYS A 110 -16.335 -7.253 5.868 1.00 0.00 C ATOM 488 O LYS A 110 -16.130 -6.357 6.686 1.00 0.00 O ATOM 489 CB LYS A 110 -18.680 -7.822 5.207 1.00 0.00 C ATOM 490 CG LYS A 110 -19.948 -7.177 4.674 1.00 0.00 C ATOM 491 CD LYS A 110 -21.170 -7.614 5.464 1.00 0.00 C ATOM 492 CE LYS A 110 -22.403 -6.817 5.070 1.00 0.00 C ATOM 493 NZ LYS A 110 -23.656 -7.449 5.568 1.00 0.00 N ATOM 0 H LYS A 110 -17.077 -8.608 3.373 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.616 -6.033 4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.633 -8.854 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.729 -7.855 6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -19.853 -6.092 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -20.078 -7.441 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -21.353 -8.675 5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -20.980 -7.488 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -22.324 -5.805 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -22.447 -6.730 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -24.473 -6.875 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -23.745 -8.405 5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -23.626 -7.509 6.606 1.00 0.00 H new ATOM 507 N SER A 111 -15.660 -8.398 5.864 1.00 0.00 N ATOM 508 CA SER A 111 -14.618 -8.674 6.846 1.00 0.00 C ATOM 509 C SER A 111 -13.249 -8.254 6.318 1.00 0.00 C ATOM 510 O SER A 111 -12.908 -8.520 5.167 1.00 0.00 O ATOM 511 CB SER A 111 -14.605 -10.161 7.203 1.00 0.00 C ATOM 512 OG SER A 111 -15.523 -10.443 8.245 1.00 0.00 O ATOM 0 H SER A 111 -15.816 -9.149 5.192 1.00 0.00 H new ATOM 0 HA SER A 111 -14.836 -8.094 7.743 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.857 -10.752 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.601 -10.456 7.509 1.00 0.00 H new ATOM 0 HG SER A 111 -15.616 -11.413 8.346 1.00 0.00 H new ATOM 518 N ASN A 112 -12.470 -7.595 7.170 1.00 0.00 N ATOM 519 CA ASN A 112 -11.138 -7.137 6.790 1.00 0.00 C ATOM 520 C ASN A 112 -10.069 -8.113 7.272 1.00 0.00 C ATOM 521 O ASN A 112 -9.013 -8.250 6.655 1.00 0.00 O ATOM 522 CB ASN A 112 -10.871 -5.745 7.366 1.00 0.00 C ATOM 523 CG ASN A 112 -11.520 -5.547 8.723 1.00 0.00 C ATOM 524 OD1 ASN A 112 -11.173 -6.220 9.693 1.00 0.00 O ATOM 525 ND2 ASN A 112 -12.468 -4.620 8.795 1.00 0.00 N ATOM 0 H ASN A 112 -12.738 -7.366 8.127 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.095 -7.087 5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.796 -5.592 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.245 -4.990 6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.941 -4.442 9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -12.723 -4.086 7.964 1.00 0.00 H new ATOM 532 N LYS A 113 -10.351 -8.791 8.380 1.00 0.00 N ATOM 533 CA LYS A 113 -9.416 -9.756 8.946 1.00 0.00 C ATOM 534 C LYS A 113 -8.816 -10.637 7.854 1.00 0.00 C ATOM 535 O LYS A 113 -7.595 -10.732 7.721 1.00 0.00 O ATOM 536 CB LYS A 113 -10.120 -10.627 9.989 1.00 0.00 C ATOM 537 CG LYS A 113 -9.264 -11.773 10.501 1.00 0.00 C ATOM 538 CD LYS A 113 -9.724 -12.243 11.871 1.00 0.00 C ATOM 539 CE LYS A 113 -9.055 -11.454 12.985 1.00 0.00 C ATOM 540 NZ LYS A 113 -9.889 -11.420 14.219 1.00 0.00 N ATOM 0 H LYS A 113 -11.220 -8.690 8.904 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.609 -9.204 9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.417 -10.002 10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.034 -11.033 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.307 -12.604 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.223 -11.455 10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -10.806 -12.138 11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.498 -13.303 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -8.086 -11.898 13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.866 -10.435 12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.398 -10.873 14.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.804 -10.973 14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.048 -12.390 14.557 1.00 0.00 H new ATOM 554 N HIS A 114 -9.681 -11.278 7.075 1.00 0.00 N ATOM 555 CA HIS A 114 -9.235 -12.149 5.993 1.00 0.00 C ATOM 556 C HIS A 114 -8.331 -11.392 5.024 1.00 0.00 C ATOM 557 O HIS A 114 -7.216 -11.825 4.733 1.00 0.00 O ATOM 558 CB HIS A 114 -10.438 -12.723 5.244 1.00 0.00 C ATOM 559 CG HIS A 114 -11.611 -13.015 6.128 1.00 0.00 C ATOM 560 ND1 HIS A 114 -11.542 -13.863 7.213 1.00 0.00 N ATOM 561 CD2 HIS A 114 -12.887 -12.565 6.084 1.00 0.00 C ATOM 562 CE1 HIS A 114 -12.725 -13.923 7.798 1.00 0.00 C ATOM 563 NE2 HIS A 114 -13.559 -13.144 7.132 1.00 0.00 N ATOM 0 H HIS A 114 -10.694 -11.211 7.172 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.664 -12.968 6.430 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -10.743 -12.019 4.470 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.137 -13.641 4.739 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -13.300 -11.878 5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -12.969 -14.509 8.672 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -14.542 -12.997 7.360 1.00 0.00 H new ATOM 571 N LEU A 115 -8.820 -10.261 4.527 1.00 0.00 N ATOM 572 CA LEU A 115 -8.056 -9.444 3.590 1.00 0.00 C ATOM 573 C LEU A 115 -6.642 -9.201 4.107 1.00 0.00 C ATOM 574 O LEU A 115 -5.662 -9.575 3.463 1.00 0.00 O ATOM 575 CB LEU A 115 -8.763 -8.108 3.355 1.00 0.00 C ATOM 576 CG LEU A 115 -10.287 -8.166 3.240 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.836 -6.833 2.756 1.00 0.00 C ATOM 578 CD2 LEU A 115 -10.709 -9.290 2.305 1.00 0.00 C ATOM 0 H LEU A 115 -9.741 -9.889 4.757 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.989 -9.984 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.506 -7.435 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.366 -7.666 2.441 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.700 -8.369 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.922 -6.893 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.564 -6.049 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.416 -6.600 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.796 -9.316 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.286 -9.118 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.347 -10.242 2.694 1.00 0.00 H new ATOM 590 N TRP A 116 -6.544 -8.573 5.274 1.00 0.00 N ATOM 591 CA TRP A 116 -5.249 -8.281 5.878 1.00 0.00 C ATOM 592 C TRP A 116 -4.343 -9.507 5.842 1.00 0.00 C ATOM 593 O TRP A 116 -3.196 -9.429 5.403 1.00 0.00 O ATOM 594 CB TRP A 116 -5.432 -7.810 7.322 1.00 0.00 C ATOM 595 CG TRP A 116 -5.807 -6.363 7.431 1.00 0.00 C ATOM 596 CD1 TRP A 116 -7.061 -5.852 7.613 1.00 0.00 C ATOM 597 CD2 TRP A 116 -4.921 -5.240 7.362 1.00 0.00 C ATOM 598 NE1 TRP A 116 -7.007 -4.480 7.662 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.705 -4.080 7.511 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.540 -5.102 7.192 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.154 -2.801 7.494 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -2.995 -3.833 7.174 1.00 0.00 C ATOM 603 CH2 TRP A 116 -3.800 -2.696 7.325 1.00 0.00 C ATOM 0 H TRP A 116 -7.345 -8.257 5.820 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.777 -7.486 5.300 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.203 -8.415 7.799 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.507 -7.981 7.872 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -7.962 -6.440 7.705 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.806 -3.860 7.790 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.911 -5.972 7.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -5.773 -1.924 7.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.930 -3.715 7.041 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.343 -1.718 7.308 1.00 0.00 H new ATOM 614 N GLU A 117 -4.866 -10.638 6.305 1.00 0.00 N ATOM 615 CA GLU A 117 -4.102 -11.880 6.325 1.00 0.00 C ATOM 616 C GLU A 117 -3.434 -12.130 4.976 1.00 0.00 C ATOM 617 O GLU A 117 -2.293 -12.587 4.913 1.00 0.00 O ATOM 618 CB GLU A 117 -5.011 -13.058 6.683 1.00 0.00 C ATOM 619 CG GLU A 117 -5.250 -13.211 8.176 1.00 0.00 C ATOM 620 CD GLU A 117 -4.050 -13.784 8.903 1.00 0.00 C ATOM 621 OE1 GLU A 117 -2.927 -13.285 8.682 1.00 0.00 O ATOM 622 OE2 GLU A 117 -4.234 -14.733 9.694 1.00 0.00 O ATOM 0 H GLU A 117 -5.815 -10.720 6.671 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.325 -11.786 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.970 -12.931 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.569 -13.977 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -5.498 -12.239 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.111 -13.859 8.338 1.00 0.00 H new ATOM 629 N GLN A 118 -4.154 -11.826 3.901 1.00 0.00 N ATOM 630 CA GLN A 118 -3.632 -12.019 2.553 1.00 0.00 C ATOM 631 C GLN A 118 -2.475 -11.065 2.276 1.00 0.00 C ATOM 632 O GLN A 118 -1.453 -11.460 1.714 1.00 0.00 O ATOM 633 CB GLN A 118 -4.740 -11.810 1.520 1.00 0.00 C ATOM 634 CG GLN A 118 -5.796 -12.902 1.531 1.00 0.00 C ATOM 635 CD GLN A 118 -7.085 -12.475 0.856 1.00 0.00 C ATOM 636 OE1 GLN A 118 -7.072 -11.692 -0.094 1.00 0.00 O ATOM 637 NE2 GLN A 118 -8.208 -12.988 1.345 1.00 0.00 N ATOM 0 H GLN A 118 -5.100 -11.445 3.937 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.262 -13.041 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.221 -10.849 1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.294 -11.757 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.404 -13.787 1.029 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.007 -13.187 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.173 -13.634 2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.106 -12.736 0.932 1.00 0.00 H new ATOM 646 N ILE A 119 -2.642 -9.808 2.674 1.00 0.00 N ATOM 647 CA ILE A 119 -1.611 -8.799 2.469 1.00 0.00 C ATOM 648 C ILE A 119 -0.316 -9.185 3.174 1.00 0.00 C ATOM 649 O ILE A 119 0.719 -9.373 2.535 1.00 0.00 O ATOM 650 CB ILE A 119 -2.067 -7.417 2.976 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.277 -6.930 2.176 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.925 -6.416 2.883 1.00 0.00 C ATOM 653 CD1 ILE A 119 -3.885 -5.655 2.717 1.00 0.00 C ATOM 0 H ILE A 119 -3.482 -9.465 3.140 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.434 -8.743 1.395 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.360 -7.508 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.977 -6.769 1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -4.037 -7.711 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.262 -5.445 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.089 -6.760 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.604 -6.325 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.738 -5.369 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.216 -5.817 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.140 -4.860 2.697 1.00 0.00 H new ATOM 665 N SER A 120 -0.381 -9.303 4.497 1.00 0.00 N ATOM 666 CA SER A 120 0.788 -9.665 5.290 1.00 0.00 C ATOM 667 C SER A 120 1.532 -10.837 4.658 1.00 0.00 C ATOM 668 O SER A 120 2.756 -10.814 4.531 1.00 0.00 O ATOM 669 CB SER A 120 0.370 -10.021 6.718 1.00 0.00 C ATOM 670 OG SER A 120 0.380 -8.877 7.553 1.00 0.00 O ATOM 0 H SER A 120 -1.230 -9.153 5.042 1.00 0.00 H new ATOM 0 HA SER A 120 1.458 -8.806 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.628 -10.460 6.709 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.046 -10.775 7.121 1.00 0.00 H new ATOM 0 HG SER A 120 1.032 -8.229 7.212 1.00 0.00 H new ATOM 676 N SER A 121 0.783 -11.862 4.263 1.00 0.00 N ATOM 677 CA SER A 121 1.370 -13.046 3.647 1.00 0.00 C ATOM 678 C SER A 121 2.104 -12.681 2.360 1.00 0.00 C ATOM 679 O SER A 121 3.210 -13.158 2.106 1.00 0.00 O ATOM 680 CB SER A 121 0.286 -14.085 3.354 1.00 0.00 C ATOM 681 OG SER A 121 0.850 -15.278 2.838 1.00 0.00 O ATOM 0 H SER A 121 -0.232 -11.896 4.359 1.00 0.00 H new ATOM 0 HA SER A 121 2.090 -13.471 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.267 -14.306 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.429 -13.678 2.639 1.00 0.00 H new ATOM 0 HG SER A 121 0.137 -15.927 2.660 1.00 0.00 H new ATOM 687 N LYS A 122 1.479 -11.833 1.551 1.00 0.00 N ATOM 688 CA LYS A 122 2.071 -11.402 0.290 1.00 0.00 C ATOM 689 C LYS A 122 3.309 -10.544 0.534 1.00 0.00 C ATOM 690 O LYS A 122 4.405 -10.878 0.086 1.00 0.00 O ATOM 691 CB LYS A 122 1.048 -10.617 -0.535 1.00 0.00 C ATOM 692 CG LYS A 122 -0.152 -11.444 -0.963 1.00 0.00 C ATOM 693 CD LYS A 122 0.083 -12.114 -2.306 1.00 0.00 C ATOM 694 CE LYS A 122 -0.160 -11.152 -3.459 1.00 0.00 C ATOM 695 NZ LYS A 122 -1.607 -11.037 -3.790 1.00 0.00 N ATOM 0 H LYS A 122 0.562 -11.430 1.746 1.00 0.00 H new ATOM 0 HA LYS A 122 2.371 -12.291 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.701 -9.764 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.539 -10.218 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.360 -12.203 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.033 -10.805 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.105 -12.489 -2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.577 -12.976 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.233 -10.169 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.388 -11.493 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.731 -10.372 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.976 -11.971 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -2.126 -10.688 -2.960 1.00 0.00 H new ATOM 709 N MET A 123 3.125 -9.439 1.249 1.00 0.00 N ATOM 710 CA MET A 123 4.228 -8.535 1.555 1.00 0.00 C ATOM 711 C MET A 123 5.340 -9.267 2.301 1.00 0.00 C ATOM 712 O MET A 123 6.473 -8.791 2.368 1.00 0.00 O ATOM 713 CB MET A 123 3.731 -7.353 2.388 1.00 0.00 C ATOM 714 CG MET A 123 3.171 -7.757 3.742 1.00 0.00 C ATOM 715 SD MET A 123 3.402 -6.483 4.998 1.00 0.00 S ATOM 716 CE MET A 123 5.175 -6.243 4.915 1.00 0.00 C ATOM 0 H MET A 123 2.223 -9.148 1.627 1.00 0.00 H new ATOM 0 HA MET A 123 4.631 -8.162 0.613 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.553 -6.653 2.538 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.960 -6.823 1.828 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.107 -7.973 3.641 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.654 -8.677 4.071 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.555 -5.993 5.906 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.650 -7.159 4.565 1.00 0.00 H new ATOM 0 HE3 MET A 123 5.400 -5.430 4.224 1.00 0.00 H new ATOM 726 N ARG A 124 5.007 -10.426 2.859 1.00 0.00 N ATOM 727 CA ARG A 124 5.977 -11.223 3.601 1.00 0.00 C ATOM 728 C ARG A 124 6.784 -12.113 2.661 1.00 0.00 C ATOM 729 O ARG A 124 8.009 -12.179 2.752 1.00 0.00 O ATOM 730 CB ARG A 124 5.268 -12.081 4.650 1.00 0.00 C ATOM 731 CG ARG A 124 6.185 -13.074 5.346 1.00 0.00 C ATOM 732 CD ARG A 124 6.227 -14.404 4.611 1.00 0.00 C ATOM 733 NE ARG A 124 4.895 -14.980 4.445 1.00 0.00 N ATOM 734 CZ ARG A 124 4.254 -15.637 5.405 1.00 0.00 C ATOM 735 NH1 ARG A 124 4.820 -15.801 6.593 1.00 0.00 N ATOM 736 NH2 ARG A 124 3.044 -16.133 5.178 1.00 0.00 N ATOM 0 H ARG A 124 4.073 -10.834 2.812 1.00 0.00 H new ATOM 0 HA ARG A 124 6.662 -10.540 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.819 -11.428 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.453 -12.625 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.191 -12.660 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 124 5.842 -13.233 6.368 1.00 0.00 H new ATOM 0 HD2 ARG A 124 6.685 -14.263 3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.858 -15.102 5.161 1.00 0.00 H new ATOM 0 HE ARG A 124 4.432 -14.872 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.750 -15.422 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.325 -16.306 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 124 2.605 -16.010 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.553 -16.637 5.916 1.00 0.00 H new ATOM 750 N GLU A 125 6.087 -12.796 1.758 1.00 0.00 N ATOM 751 CA GLU A 125 6.738 -13.683 0.802 1.00 0.00 C ATOM 752 C GLU A 125 8.011 -13.047 0.250 1.00 0.00 C ATOM 753 O GLU A 125 9.042 -13.707 0.118 1.00 0.00 O ATOM 754 CB GLU A 125 5.785 -14.021 -0.346 1.00 0.00 C ATOM 755 CG GLU A 125 4.731 -15.052 0.022 1.00 0.00 C ATOM 756 CD GLU A 125 5.189 -16.474 -0.237 1.00 0.00 C ATOM 757 OE1 GLU A 125 5.051 -16.942 -1.387 1.00 0.00 O ATOM 758 OE2 GLU A 125 5.686 -17.118 0.710 1.00 0.00 O ATOM 0 H GLU A 125 5.072 -12.752 1.669 1.00 0.00 H new ATOM 0 HA GLU A 125 7.007 -14.602 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.289 -13.108 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.365 -14.392 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.475 -14.943 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 125 3.823 -14.857 -0.549 1.00 0.00 H new ATOM 765 N LYS A 126 7.931 -11.761 -0.071 1.00 0.00 N ATOM 766 CA LYS A 126 9.075 -11.033 -0.609 1.00 0.00 C ATOM 767 C LYS A 126 10.332 -11.316 0.207 1.00 0.00 C ATOM 768 O LYS A 126 11.417 -11.488 -0.346 1.00 0.00 O ATOM 769 CB LYS A 126 8.789 -9.530 -0.620 1.00 0.00 C ATOM 770 CG LYS A 126 7.538 -9.154 -1.394 1.00 0.00 C ATOM 771 CD LYS A 126 7.813 -9.055 -2.886 1.00 0.00 C ATOM 772 CE LYS A 126 8.465 -7.728 -3.245 1.00 0.00 C ATOM 773 NZ LYS A 126 9.323 -7.841 -4.457 1.00 0.00 N ATOM 0 H LYS A 126 7.085 -11.200 0.032 1.00 0.00 H new ATOM 0 HA LYS A 126 9.242 -11.372 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.689 -9.180 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.644 -9.009 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.761 -9.897 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.157 -8.200 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.462 -9.875 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.879 -9.164 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.692 -6.978 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 126 9.067 -7.380 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.749 -6.916 -4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 10.076 -8.538 -4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.744 -8.148 -5.265 1.00 0.00 H new ATOM 787 N GLY A 127 10.177 -11.366 1.527 1.00 0.00 N ATOM 788 CA GLY A 127 11.308 -11.630 2.397 1.00 0.00 C ATOM 789 C GLY A 127 11.258 -10.817 3.676 1.00 0.00 C ATOM 790 O GLY A 127 12.281 -10.314 4.141 1.00 0.00 O ATOM 0 H GLY A 127 9.289 -11.228 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.332 -12.691 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.232 -11.407 1.864 1.00 0.00 H new ATOM 794 N PHE A 128 10.065 -10.687 4.246 1.00 0.00 N ATOM 795 CA PHE A 128 9.885 -9.928 5.478 1.00 0.00 C ATOM 796 C PHE A 128 8.888 -10.620 6.403 1.00 0.00 C ATOM 797 O PHE A 128 7.680 -10.588 6.166 1.00 0.00 O ATOM 798 CB PHE A 128 9.405 -8.509 5.162 1.00 0.00 C ATOM 799 CG PHE A 128 10.127 -7.875 4.008 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.309 -7.180 4.210 1.00 0.00 C ATOM 801 CD2 PHE A 128 9.626 -7.975 2.720 1.00 0.00 C ATOM 802 CE1 PHE A 128 11.975 -6.595 3.150 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.288 -7.392 1.656 1.00 0.00 C ATOM 804 CZ PHE A 128 11.465 -6.703 1.871 1.00 0.00 C ATOM 0 H PHE A 128 9.208 -11.097 3.875 1.00 0.00 H new ATOM 0 HA PHE A 128 10.848 -9.874 5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.338 -8.536 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.533 -7.885 6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.714 -7.095 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.707 -8.515 2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 128 12.894 -6.054 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 128 9.885 -7.475 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 128 11.986 -6.249 1.041 1.00 0.00 H new ATOM 814 N ASP A 129 9.402 -11.245 7.456 1.00 0.00 N ATOM 815 CA ASP A 129 8.559 -11.944 8.418 1.00 0.00 C ATOM 816 C ASP A 129 8.000 -10.976 9.455 1.00 0.00 C ATOM 817 O ASP A 129 8.740 -10.438 10.279 1.00 0.00 O ATOM 818 CB ASP A 129 9.351 -13.054 9.111 1.00 0.00 C ATOM 819 CG ASP A 129 8.467 -14.198 9.566 1.00 0.00 C ATOM 820 OD1 ASP A 129 8.192 -15.098 8.745 1.00 0.00 O ATOM 821 OD2 ASP A 129 8.050 -14.195 10.744 1.00 0.00 O ATOM 0 H ASP A 129 10.400 -11.282 7.665 1.00 0.00 H new ATOM 0 HA ASP A 129 7.724 -12.389 7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.111 -13.435 8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.875 -12.639 9.972 1.00 0.00 H new ATOM 826 N ARG A 130 6.689 -10.759 9.409 1.00 0.00 N ATOM 827 CA ARG A 130 6.032 -9.854 10.344 1.00 0.00 C ATOM 828 C ARG A 130 4.666 -10.395 10.756 1.00 0.00 C ATOM 829 O ARG A 130 4.135 -11.311 10.127 1.00 0.00 O ATOM 830 CB ARG A 130 5.875 -8.466 9.718 1.00 0.00 C ATOM 831 CG ARG A 130 7.191 -7.836 9.296 1.00 0.00 C ATOM 832 CD ARG A 130 7.944 -7.266 10.488 1.00 0.00 C ATOM 833 NE ARG A 130 9.086 -6.454 10.077 1.00 0.00 N ATOM 834 CZ ARG A 130 10.019 -6.019 10.916 1.00 0.00 C ATOM 835 NH1 ARG A 130 9.946 -6.318 12.206 1.00 0.00 N ATOM 836 NH2 ARG A 130 11.029 -5.285 10.466 1.00 0.00 N ATOM 0 H ARG A 130 6.062 -11.197 8.735 1.00 0.00 H new ATOM 0 HA ARG A 130 6.656 -9.776 11.234 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.222 -8.541 8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.380 -7.808 10.432 1.00 0.00 H new ATOM 0 HG2 ARG A 130 7.809 -8.582 8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 130 7.001 -7.044 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 130 7.266 -6.660 11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.289 -8.082 11.123 1.00 0.00 H new ATOM 0 HE ARG A 130 9.172 -6.207 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.172 -6.883 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.664 -5.983 12.849 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.090 -5.054 9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.745 -4.952 11.112 1.00 0.00 H new ATOM 850 N SER A 131 4.103 -9.824 11.816 1.00 0.00 N ATOM 851 CA SER A 131 2.802 -10.252 12.314 1.00 0.00 C ATOM 852 C SER A 131 1.686 -9.390 11.731 1.00 0.00 C ATOM 853 O SER A 131 1.915 -8.289 11.230 1.00 0.00 O ATOM 854 CB SER A 131 2.769 -10.184 13.842 1.00 0.00 C ATOM 855 OG SER A 131 3.183 -11.411 14.417 1.00 0.00 O ATOM 0 H SER A 131 4.528 -9.063 12.346 1.00 0.00 H new ATOM 0 HA SER A 131 2.642 -11.283 12.000 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.419 -9.380 14.187 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.760 -9.944 14.177 1.00 0.00 H new ATOM 0 HG SER A 131 3.155 -11.340 15.394 1.00 0.00 H new ATOM 861 N PRO A 132 0.448 -9.902 11.798 1.00 0.00 N ATOM 862 CA PRO A 132 -0.729 -9.196 11.282 1.00 0.00 C ATOM 863 C PRO A 132 -1.084 -7.972 12.120 1.00 0.00 C ATOM 864 O PRO A 132 -1.670 -7.013 11.617 1.00 0.00 O ATOM 865 CB PRO A 132 -1.839 -10.245 11.372 1.00 0.00 C ATOM 866 CG PRO A 132 -1.400 -11.170 12.454 1.00 0.00 C ATOM 867 CD PRO A 132 0.101 -11.208 12.382 1.00 0.00 C ATOM 0 HA PRO A 132 -0.566 -8.813 10.275 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.799 -9.786 11.609 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.963 -10.773 10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.735 -10.817 13.429 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.823 -12.165 12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.547 -11.339 13.368 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.453 -12.032 11.761 1.00 0.00 H new ATOM 875 N ASP A 133 -0.725 -8.011 13.398 1.00 0.00 N ATOM 876 CA ASP A 133 -1.004 -6.904 14.305 1.00 0.00 C ATOM 877 C ASP A 133 -0.118 -5.704 13.987 1.00 0.00 C ATOM 878 O ASP A 133 -0.422 -4.576 14.373 1.00 0.00 O ATOM 879 CB ASP A 133 -0.794 -7.340 15.756 1.00 0.00 C ATOM 880 CG ASP A 133 -1.650 -8.533 16.132 1.00 0.00 C ATOM 881 OD1 ASP A 133 -1.382 -9.641 15.622 1.00 0.00 O ATOM 882 OD2 ASP A 133 -2.587 -8.359 16.939 1.00 0.00 O ATOM 0 H ASP A 133 -0.240 -8.798 13.830 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.045 -6.609 14.170 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.256 -7.587 15.909 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.025 -6.507 16.420 1.00 0.00 H new ATOM 887 N MET A 134 0.980 -5.957 13.282 1.00 0.00 N ATOM 888 CA MET A 134 1.911 -4.897 12.913 1.00 0.00 C ATOM 889 C MET A 134 1.379 -4.094 11.730 1.00 0.00 C ATOM 890 O MET A 134 1.354 -2.863 11.765 1.00 0.00 O ATOM 891 CB MET A 134 3.280 -5.488 12.567 1.00 0.00 C ATOM 892 CG MET A 134 3.759 -6.532 13.563 1.00 0.00 C ATOM 893 SD MET A 134 5.512 -6.915 13.378 1.00 0.00 S ATOM 894 CE MET A 134 6.254 -5.401 13.982 1.00 0.00 C ATOM 0 H MET A 134 1.247 -6.886 12.955 1.00 0.00 H new ATOM 0 HA MET A 134 2.017 -4.228 13.767 1.00 0.00 H new ATOM 0 HB2 MET A 134 3.232 -5.938 11.575 1.00 0.00 H new ATOM 0 HB3 MET A 134 4.012 -4.682 12.517 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.574 -6.174 14.576 1.00 0.00 H new ATOM 0 HG3 MET A 134 3.176 -7.444 13.436 1.00 0.00 H new ATOM 0 HE1 MET A 134 7.278 -5.599 14.300 1.00 0.00 H new ATOM 0 HE2 MET A 134 6.259 -4.656 13.187 1.00 0.00 H new ATOM 0 HE3 MET A 134 5.678 -5.025 14.828 1.00 0.00 H new ATOM 904 N CYS A 135 0.954 -4.797 10.686 1.00 0.00 N ATOM 905 CA CYS A 135 0.423 -4.148 9.493 1.00 0.00 C ATOM 906 C CYS A 135 -0.838 -3.355 9.821 1.00 0.00 C ATOM 907 O CYS A 135 -1.021 -2.233 9.345 1.00 0.00 O ATOM 908 CB CYS A 135 0.120 -5.188 8.414 1.00 0.00 C ATOM 909 SG CYS A 135 1.551 -6.174 7.916 1.00 0.00 S ATOM 0 H CYS A 135 0.967 -5.816 10.642 1.00 0.00 H new ATOM 0 HA CYS A 135 1.178 -3.456 9.119 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.660 -5.857 8.778 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -0.280 -4.680 7.537 1.00 0.00 H new ATOM 0 HG CYS A 135 1.868 -5.890 6.688 1.00 0.00 H new ATOM 915 N THR A 136 -1.707 -3.945 10.635 1.00 0.00 N ATOM 916 CA THR A 136 -2.952 -3.295 11.025 1.00 0.00 C ATOM 917 C THR A 136 -2.683 -2.026 11.825 1.00 0.00 C ATOM 918 O THR A 136 -3.170 -0.949 11.481 1.00 0.00 O ATOM 919 CB THR A 136 -3.840 -4.237 11.860 1.00 0.00 C ATOM 920 OG1 THR A 136 -3.847 -5.546 11.279 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.263 -3.706 11.944 1.00 0.00 C ATOM 0 H THR A 136 -1.572 -4.872 11.037 1.00 0.00 H new ATOM 0 HA THR A 136 -3.475 -3.036 10.104 1.00 0.00 H new ATOM 0 HB THR A 136 -3.429 -4.290 12.868 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.115 -6.076 11.658 1.00 0.00 H new ATOM 0 HG21 THR A 136 -5.871 -4.388 12.538 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.257 -2.722 12.413 1.00 0.00 H new ATOM 0 HG23 THR A 136 -5.682 -3.627 10.941 1.00 0.00 H new ATOM 929 N ASP A 137 -1.906 -2.160 12.894 1.00 0.00 N ATOM 930 CA ASP A 137 -1.570 -1.023 13.743 1.00 0.00 C ATOM 931 C ASP A 137 -0.884 0.074 12.935 1.00 0.00 C ATOM 932 O ASP A 137 -1.380 1.197 12.846 1.00 0.00 O ATOM 933 CB ASP A 137 -0.666 -1.467 14.894 1.00 0.00 C ATOM 934 CG ASP A 137 -0.749 -0.536 16.087 1.00 0.00 C ATOM 935 OD1 ASP A 137 -1.877 -0.159 16.469 1.00 0.00 O ATOM 936 OD2 ASP A 137 0.314 -0.185 16.640 1.00 0.00 O ATOM 0 H ASP A 137 -1.497 -3.045 13.193 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.497 -0.622 14.154 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -0.944 -2.475 15.203 1.00 0.00 H new ATOM 0 HB3 ASP A 137 0.365 -1.514 14.545 1.00 0.00 H new ATOM 941 N LYS A 138 0.261 -0.258 12.349 1.00 0.00 N ATOM 942 CA LYS A 138 1.018 0.697 11.548 1.00 0.00 C ATOM 943 C LYS A 138 0.085 1.543 10.687 1.00 0.00 C ATOM 944 O LYS A 138 0.192 2.769 10.660 1.00 0.00 O ATOM 945 CB LYS A 138 2.026 -0.035 10.660 1.00 0.00 C ATOM 946 CG LYS A 138 2.858 0.893 9.792 1.00 0.00 C ATOM 947 CD LYS A 138 4.107 1.364 10.518 1.00 0.00 C ATOM 948 CE LYS A 138 4.842 2.434 9.726 1.00 0.00 C ATOM 949 NZ LYS A 138 6.214 2.671 10.254 1.00 0.00 N ATOM 0 H LYS A 138 0.686 -1.183 12.414 1.00 0.00 H new ATOM 0 HA LYS A 138 1.556 1.358 12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.692 -0.624 11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.491 -0.736 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.142 0.377 8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 138 2.258 1.755 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.833 1.758 11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.771 0.517 10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.902 2.134 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.275 3.364 9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.793 3.131 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.162 3.286 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.646 1.763 10.517 1.00 0.00 H new ATOM 963 N TRP A 139 -0.828 0.881 9.986 1.00 0.00 N ATOM 964 CA TRP A 139 -1.780 1.573 9.125 1.00 0.00 C ATOM 965 C TRP A 139 -2.512 2.669 9.892 1.00 0.00 C ATOM 966 O TRP A 139 -2.485 3.836 9.502 1.00 0.00 O ATOM 967 CB TRP A 139 -2.788 0.581 8.543 1.00 0.00 C ATOM 968 CG TRP A 139 -3.539 1.120 7.363 1.00 0.00 C ATOM 969 CD1 TRP A 139 -4.883 1.351 7.283 1.00 0.00 C ATOM 970 CD2 TRP A 139 -2.989 1.493 6.095 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.201 1.845 6.041 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.057 1.943 5.294 1.00 0.00 C ATOM 973 CE3 TRP A 139 -1.699 1.494 5.559 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -3.872 2.386 3.987 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -1.517 1.934 4.261 1.00 0.00 C ATOM 976 CH2 TRP A 139 -2.598 2.375 3.488 1.00 0.00 C ATOM 0 H TRP A 139 -0.929 -0.134 9.997 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.224 2.036 8.310 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.263 -0.327 8.247 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.499 0.299 9.319 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.591 1.172 8.079 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.138 2.098 5.726 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -0.859 1.157 6.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.704 2.726 3.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.524 1.938 3.836 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.423 2.713 2.477 1.00 0.00 H new ATOM 987 N ARG A 140 -3.164 2.285 10.985 1.00 0.00 N ATOM 988 CA ARG A 140 -3.904 3.236 11.806 1.00 0.00 C ATOM 989 C ARG A 140 -3.110 4.525 11.995 1.00 0.00 C ATOM 990 O ARG A 140 -3.622 5.620 11.767 1.00 0.00 O ATOM 991 CB ARG A 140 -4.230 2.620 13.168 1.00 0.00 C ATOM 992 CG ARG A 140 -5.546 1.861 13.194 1.00 0.00 C ATOM 993 CD ARG A 140 -5.740 1.127 14.512 1.00 0.00 C ATOM 994 NE ARG A 140 -7.140 0.786 14.748 1.00 0.00 N ATOM 995 CZ ARG A 140 -8.072 1.680 15.056 1.00 0.00 C ATOM 996 NH1 ARG A 140 -7.755 2.963 15.165 1.00 0.00 N ATOM 997 NH2 ARG A 140 -9.325 1.292 15.256 1.00 0.00 N ATOM 0 H ARG A 140 -3.195 1.323 11.322 1.00 0.00 H new ATOM 0 HA ARG A 140 -4.834 3.476 11.291 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -3.424 1.943 13.453 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.262 3.411 13.917 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.371 2.556 13.038 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.572 1.147 12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.140 0.217 14.512 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -5.375 1.748 15.330 1.00 0.00 H new ATOM 0 HE ARG A 140 -7.417 -0.193 14.672 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.793 3.265 15.012 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.473 3.647 15.402 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.573 0.306 15.173 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -10.040 1.980 15.493 1.00 0.00 H new ATOM 1011 N ASN A 141 -1.856 4.385 12.413 1.00 0.00 N ATOM 1012 CA ASN A 141 -0.991 5.538 12.634 1.00 0.00 C ATOM 1013 C ASN A 141 -0.721 6.274 11.325 1.00 0.00 C ATOM 1014 O ASN A 141 -0.782 7.503 11.267 1.00 0.00 O ATOM 1015 CB ASN A 141 0.331 5.097 13.266 1.00 0.00 C ATOM 1016 CG ASN A 141 1.171 6.272 13.729 1.00 0.00 C ATOM 1017 OD1 ASN A 141 0.766 7.427 13.601 1.00 0.00 O ATOM 1018 ND2 ASN A 141 2.347 5.980 14.272 1.00 0.00 N ATOM 0 H ASN A 141 -1.416 3.485 12.605 1.00 0.00 H new ATOM 0 HA ASN A 141 -1.502 6.219 13.315 1.00 0.00 H new ATOM 0 HB2 ASN A 141 0.125 4.444 14.114 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.898 4.511 12.543 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.956 6.728 14.603 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.642 5.007 14.358 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.423 5.515 10.277 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.145 6.095 8.967 1.00 0.00 C ATOM 1027 C LEU A 142 -1.288 7.000 8.518 1.00 0.00 C ATOM 1028 O LEU A 142 -1.061 8.056 7.927 1.00 0.00 O ATOM 1029 CB LEU A 142 0.080 4.988 7.935 1.00 0.00 C ATOM 1030 CG LEU A 142 1.417 4.251 8.023 1.00 0.00 C ATOM 1031 CD1 LEU A 142 1.376 2.972 7.201 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.554 5.149 7.558 1.00 0.00 C ATOM 0 H LEU A 142 -0.367 4.497 10.308 1.00 0.00 H new ATOM 0 HA LEU A 142 0.760 6.697 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -0.722 4.257 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.007 5.423 6.940 1.00 0.00 H new ATOM 0 HG LEU A 142 1.595 3.984 9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.336 2.461 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 142 0.588 2.321 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.175 3.216 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.497 4.607 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.382 5.447 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.598 6.037 8.189 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.515 6.580 8.804 1.00 0.00 N ATOM 1045 CA LEU A 143 -3.694 7.354 8.432 1.00 0.00 C ATOM 1046 C LEU A 143 -3.775 8.645 9.239 1.00 0.00 C ATOM 1047 O LEU A 143 -4.118 9.702 8.707 1.00 0.00 O ATOM 1048 CB LEU A 143 -4.962 6.524 8.647 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.121 5.296 7.749 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.274 4.429 8.230 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.335 5.717 6.303 1.00 0.00 C ATOM 0 H LEU A 143 -2.720 5.708 9.292 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.610 7.612 7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.985 6.195 9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.826 7.172 8.499 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.204 4.709 7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.372 3.560 7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.079 4.098 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.198 5.006 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.446 4.831 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.236 6.327 6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.477 6.296 5.962 1.00 0.00 H new ATOM 1063 N LYS A 144 -3.456 8.554 10.525 1.00 0.00 N ATOM 1064 CA LYS A 144 -3.488 9.715 11.406 1.00 0.00 C ATOM 1065 C LYS A 144 -2.486 10.772 10.952 1.00 0.00 C ATOM 1066 O LYS A 144 -2.837 11.938 10.779 1.00 0.00 O ATOM 1067 CB LYS A 144 -3.186 9.297 12.847 1.00 0.00 C ATOM 1068 CG LYS A 144 -4.238 8.381 13.448 1.00 0.00 C ATOM 1069 CD LYS A 144 -4.082 8.266 14.955 1.00 0.00 C ATOM 1070 CE LYS A 144 -2.788 7.559 15.328 1.00 0.00 C ATOM 1071 NZ LYS A 144 -2.373 7.865 16.725 1.00 0.00 N ATOM 0 H LYS A 144 -3.172 7.687 10.981 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.489 10.145 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.219 8.794 12.875 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.099 10.191 13.465 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -5.231 8.762 13.212 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.161 7.392 12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.096 9.261 15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -4.929 7.719 15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -2.916 6.483 15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.998 7.860 14.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -1.487 7.365 16.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -2.226 8.889 16.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.116 7.555 17.384 1.00 0.00 H new ATOM 1085 N GLU A 145 -1.239 10.354 10.758 1.00 0.00 N ATOM 1086 CA GLU A 145 -0.188 11.265 10.323 1.00 0.00 C ATOM 1087 C GLU A 145 -0.472 11.793 8.920 1.00 0.00 C ATOM 1088 O GLU A 145 -0.145 12.935 8.596 1.00 0.00 O ATOM 1089 CB GLU A 145 1.171 10.562 10.350 1.00 0.00 C ATOM 1090 CG GLU A 145 1.290 9.429 9.345 1.00 0.00 C ATOM 1091 CD GLU A 145 1.464 9.925 7.923 1.00 0.00 C ATOM 1092 OE1 GLU A 145 2.096 10.987 7.739 1.00 0.00 O ATOM 1093 OE2 GLU A 145 0.969 9.254 6.994 1.00 0.00 O ATOM 0 H GLU A 145 -0.933 9.391 10.895 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.166 12.109 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.954 11.295 10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.347 10.168 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 145 2.139 8.799 9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.399 8.804 9.401 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.082 10.953 8.090 1.00 0.00 N ATOM 1101 CA PHE A 146 -1.410 11.334 6.721 1.00 0.00 C ATOM 1102 C PHE A 146 -2.372 12.518 6.701 1.00 0.00 C ATOM 1103 O PHE A 146 -2.166 13.488 5.971 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.026 10.149 5.974 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.012 9.291 5.271 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.007 9.866 4.511 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.066 7.910 5.371 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.928 9.079 3.864 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.134 7.119 4.727 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.863 7.704 3.971 1.00 0.00 C ATOM 0 H PHE A 146 -1.359 10.004 8.342 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.488 11.630 6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -2.583 9.534 6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -2.743 10.523 5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 146 0.047 10.941 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.845 7.447 5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 146 1.708 9.539 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.185 6.044 4.815 1.00 0.00 H new ATOM 0 HZ PHE A 146 1.590 7.087 3.464 1.00 0.00 H new