USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 514 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 936 THR OG1 : rot 110:sc= 0.295 USER MOD Set 1.2: A 938 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 929 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 935 THR OG1 : rot 28:sc= 1.16 USER MOD Set 3.1: A 915 SER OG : rot 78:sc= 1.25 USER MOD Set 3.2: A 928 TYR OH : rot 180:sc= 0 USER MOD Single : A 889 LYS NZ :NH3+ 165:sc= -0.0743 (180deg=-0.335) USER MOD Single : A 890 SER OG : rot 180:sc= 0.00336 USER MOD Single : A 894 LYS NZ :NH3+ -167:sc= -0.0237 (180deg=-0.271) USER MOD Single : A 895 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.44) USER MOD Single : A 900 THR OG1 : rot 180:sc= 0 USER MOD Single : A 901 GLN : amide:sc= -0.8 K(o=-0.8,f=-4.6!) USER MOD Single : A 903 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 904 SER OG : rot 180:sc= 0 USER MOD Single : A 910 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 912 ASN : amide:sc= -2.11! C(o=-2.1!,f=-5.1!) USER MOD Single : A 916 GLN : amide:sc= -0.402 K(o=-0.4,f=-4.3!) USER MOD Single : A 920 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 924 SER OG : rot -127:sc= -0.198! USER MOD Single : A 925 SER OG : rot 45:sc= 0.144 USER MOD Single : A 927 SER OG : rot 180:sc= -0.514 USER MOD Single : A 930 SER OG : rot 180:sc= 0 USER MOD Single : A 932 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.7!) USER MOD Single : A 934 GLN : amide:sc= -0.041 K(o=-0.041,f=-0.65) USER MOD Single : A 941 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.2) USER MOD Single : A 943 LYS NZ :NH3+ -112:sc= -1.65 (180deg=-4.28!) USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 950 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.36) USER MOD Single : A 951 LYS NZ :NH3+ -161:sc= -0.0413 (180deg=-0.344) USER MOD Single : A 953 GLN : amide:sc= -0.461 K(o=-0.46,f=-4.9!) USER MOD Single : A 954 CYS SG : rot -29:sc= -0.346 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 889 6.748 8.025 9.040 1.00 0.00 N ATOM 84 CA LYS A 889 6.034 6.759 8.951 1.00 0.00 C ATOM 85 C LYS A 889 4.611 6.937 9.457 1.00 0.00 C ATOM 86 O LYS A 889 4.395 7.432 10.565 1.00 0.00 O ATOM 87 CB LYS A 889 6.725 5.648 9.757 1.00 0.00 C ATOM 88 CG LYS A 889 8.069 5.192 9.197 1.00 0.00 C ATOM 89 CD LYS A 889 9.227 6.045 9.699 1.00 0.00 C ATOM 90 CE LYS A 889 9.417 5.913 11.204 1.00 0.00 C ATOM 91 NZ LYS A 889 9.636 4.502 11.621 1.00 0.00 N ATOM 0 HA LYS A 889 6.029 6.458 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 889 6.873 5.998 10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 889 6.058 4.787 9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 889 8.241 4.152 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 889 8.038 5.231 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 889 10.144 5.749 9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 889 9.045 7.090 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 889 10.268 6.518 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 889 8.540 6.309 11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 889 10.008 4.481 12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 889 8.734 3.985 11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 889 10.319 4.052 10.979 1.00 0.00 H new ATOM 105 N SER A 890 3.645 6.559 8.640 1.00 0.00 N ATOM 106 CA SER A 890 2.249 6.658 9.019 1.00 0.00 C ATOM 107 C SER A 890 1.671 5.282 9.320 1.00 0.00 C ATOM 108 O SER A 890 2.025 4.291 8.677 1.00 0.00 O ATOM 109 CB SER A 890 1.462 7.332 7.896 1.00 0.00 C ATOM 110 OG SER A 890 1.797 6.766 6.639 1.00 0.00 O ATOM 0 H SER A 890 3.803 6.179 7.707 1.00 0.00 H new ATOM 0 HA SER A 890 2.172 7.260 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 890 0.393 7.221 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 890 1.674 8.401 7.887 1.00 0.00 H new ATOM 0 HG SER A 890 1.282 7.209 5.933 1.00 0.00 H new ATOM 116 N VAL A 891 0.788 5.226 10.301 1.00 0.00 N ATOM 117 CA VAL A 891 0.119 3.989 10.668 1.00 0.00 C ATOM 118 C VAL A 891 -1.389 4.183 10.633 1.00 0.00 C ATOM 119 O VAL A 891 -1.890 5.247 10.983 1.00 0.00 O ATOM 120 CB VAL A 891 0.543 3.498 12.070 1.00 0.00 C ATOM 121 CG1 VAL A 891 2.013 3.107 12.082 1.00 0.00 C ATOM 122 CG2 VAL A 891 0.267 4.559 13.128 1.00 0.00 C ATOM 0 H VAL A 891 0.515 6.032 10.864 1.00 0.00 H new ATOM 0 HA VAL A 891 0.414 3.231 9.943 1.00 0.00 H new ATOM 0 HB VAL A 891 -0.052 2.616 12.309 1.00 0.00 H new ATOM 0 HG11 VAL A 891 2.290 2.764 13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 891 2.182 2.306 11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 891 2.621 3.970 11.813 1.00 0.00 H new ATOM 0 HG21 VAL A 891 0.575 4.187 14.105 1.00 0.00 H new ATOM 0 HG22 VAL A 891 0.827 5.464 12.891 1.00 0.00 H new ATOM 0 HG23 VAL A 891 -0.799 4.787 13.146 1.00 0.00 H new ATOM 132 N PHE A 892 -2.112 3.172 10.193 1.00 0.00 N ATOM 133 CA PHE A 892 -3.560 3.275 10.105 1.00 0.00 C ATOM 134 C PHE A 892 -4.220 2.453 11.203 1.00 0.00 C ATOM 135 O PHE A 892 -3.896 1.281 11.392 1.00 0.00 O ATOM 136 CB PHE A 892 -4.059 2.839 8.719 1.00 0.00 C ATOM 137 CG PHE A 892 -3.661 1.443 8.313 1.00 0.00 C ATOM 138 CD1 PHE A 892 -2.408 1.193 7.770 1.00 0.00 C ATOM 139 CD2 PHE A 892 -4.544 0.383 8.463 1.00 0.00 C ATOM 140 CE1 PHE A 892 -2.045 -0.084 7.388 1.00 0.00 C ATOM 141 CE2 PHE A 892 -4.185 -0.896 8.084 1.00 0.00 C ATOM 142 CZ PHE A 892 -2.934 -1.129 7.546 1.00 0.00 C ATOM 0 H PHE A 892 -1.727 2.276 9.893 1.00 0.00 H new ATOM 0 HA PHE A 892 -3.837 4.320 10.246 1.00 0.00 H new ATOM 0 HB2 PHE A 892 -5.146 2.911 8.701 1.00 0.00 H new ATOM 0 HB3 PHE A 892 -3.681 3.540 7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 892 -1.709 2.006 7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 892 -5.524 0.560 8.881 1.00 0.00 H new ATOM 0 HE1 PHE A 892 -1.067 -0.265 6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 892 -4.881 -1.712 8.208 1.00 0.00 H new ATOM 0 HZ PHE A 892 -2.651 -2.128 7.249 1.00 0.00 H new ATOM 152 N VAL A 893 -5.133 3.073 11.937 1.00 0.00 N ATOM 153 CA VAL A 893 -5.841 2.372 12.994 1.00 0.00 C ATOM 154 C VAL A 893 -7.254 2.015 12.536 1.00 0.00 C ATOM 155 O VAL A 893 -8.042 2.896 12.146 1.00 0.00 O ATOM 156 CB VAL A 893 -5.887 3.195 14.311 1.00 0.00 C ATOM 157 CG1 VAL A 893 -6.525 4.563 14.100 1.00 0.00 C ATOM 158 CG2 VAL A 893 -6.620 2.426 15.400 1.00 0.00 C ATOM 0 H VAL A 893 -5.398 4.051 11.821 1.00 0.00 H new ATOM 0 HA VAL A 893 -5.291 1.455 13.206 1.00 0.00 H new ATOM 0 HB VAL A 893 -4.858 3.358 14.631 1.00 0.00 H new ATOM 0 HG11 VAL A 893 -6.539 5.108 15.044 1.00 0.00 H new ATOM 0 HG12 VAL A 893 -5.948 5.124 13.365 1.00 0.00 H new ATOM 0 HG13 VAL A 893 -7.546 4.437 13.739 1.00 0.00 H new ATOM 0 HG21 VAL A 893 -6.641 3.020 16.314 1.00 0.00 H new ATOM 0 HG22 VAL A 893 -7.641 2.221 15.077 1.00 0.00 H new ATOM 0 HG23 VAL A 893 -6.104 1.485 15.591 1.00 0.00 H new ATOM 168 N LYS A 894 -7.536 0.703 12.554 1.00 0.00 N ATOM 169 CA LYS A 894 -8.845 0.133 12.193 1.00 0.00 C ATOM 170 C LYS A 894 -9.269 0.514 10.764 1.00 0.00 C ATOM 171 O LYS A 894 -10.362 0.169 10.313 1.00 0.00 O ATOM 172 CB LYS A 894 -9.907 0.575 13.212 1.00 0.00 C ATOM 173 CG LYS A 894 -11.221 -0.185 13.109 1.00 0.00 C ATOM 174 CD LYS A 894 -12.223 0.283 14.151 1.00 0.00 C ATOM 175 CE LYS A 894 -13.532 -0.487 14.057 1.00 0.00 C ATOM 176 NZ LYS A 894 -14.168 -0.337 12.722 1.00 0.00 N ATOM 0 H LYS A 894 -6.851 -0.003 12.824 1.00 0.00 H new ATOM 0 HA LYS A 894 -8.753 -0.953 12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 894 -9.505 0.449 14.217 1.00 0.00 H new ATOM 0 HB3 LYS A 894 -10.103 1.639 13.078 1.00 0.00 H new ATOM 0 HG2 LYS A 894 -11.642 -0.051 12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 894 -11.036 -1.252 13.235 1.00 0.00 H new ATOM 0 HD2 LYS A 894 -11.798 0.158 15.147 1.00 0.00 H new ATOM 0 HD3 LYS A 894 -12.416 1.347 14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 894 -13.347 -1.543 14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 894 -14.217 -0.134 14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 894 -15.147 -0.684 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 894 -14.167 0.666 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 894 -13.635 -0.888 12.019 1.00 0.00 H new ATOM 190 N ASN A 895 -8.376 1.199 10.056 1.00 0.00 N ATOM 191 CA ASN A 895 -8.676 1.816 8.765 1.00 0.00 C ATOM 192 C ASN A 895 -9.792 2.848 8.948 1.00 0.00 C ATOM 193 O ASN A 895 -10.514 3.192 8.016 1.00 0.00 O ATOM 194 CB ASN A 895 -9.067 0.757 7.718 1.00 0.00 C ATOM 195 CG ASN A 895 -9.001 1.281 6.290 1.00 0.00 C ATOM 196 OD1 ASN A 895 -9.975 1.808 5.755 1.00 0.00 O ATOM 197 ND2 ASN A 895 -7.849 1.121 5.658 1.00 0.00 N ATOM 0 H ASN A 895 -7.414 1.344 10.364 1.00 0.00 H new ATOM 0 HA ASN A 895 -7.782 2.317 8.394 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -8.405 -0.103 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -10.078 0.406 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -7.747 1.440 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -7.063 0.679 6.135 1.00 0.00 H new ATOM 204 N VAL A 896 -9.915 3.356 10.168 1.00 0.00 N ATOM 205 CA VAL A 896 -10.850 4.428 10.446 1.00 0.00 C ATOM 206 C VAL A 896 -10.083 5.732 10.576 1.00 0.00 C ATOM 207 O VAL A 896 -10.596 6.811 10.271 1.00 0.00 O ATOM 208 CB VAL A 896 -11.693 4.162 11.721 1.00 0.00 C ATOM 209 CG1 VAL A 896 -10.828 4.131 12.973 1.00 0.00 C ATOM 210 CG2 VAL A 896 -12.800 5.196 11.858 1.00 0.00 C ATOM 0 H VAL A 896 -9.378 3.041 10.976 1.00 0.00 H new ATOM 0 HA VAL A 896 -11.554 4.489 9.616 1.00 0.00 H new ATOM 0 HB VAL A 896 -12.148 3.177 11.613 1.00 0.00 H new ATOM 0 HG11 VAL A 896 -11.455 3.942 13.844 1.00 0.00 H new ATOM 0 HG12 VAL A 896 -10.085 3.339 12.882 1.00 0.00 H new ATOM 0 HG13 VAL A 896 -10.323 5.090 13.090 1.00 0.00 H new ATOM 0 HG21 VAL A 896 -13.379 4.992 12.758 1.00 0.00 H new ATOM 0 HG22 VAL A 896 -12.362 6.192 11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 896 -13.454 5.147 10.987 1.00 0.00 H new ATOM 220 N GLY A 897 -8.834 5.620 11.012 1.00 0.00 N ATOM 221 CA GLY A 897 -7.984 6.784 11.073 1.00 0.00 C ATOM 222 C GLY A 897 -6.577 6.477 10.618 1.00 0.00 C ATOM 223 O GLY A 897 -6.153 5.320 10.635 1.00 0.00 O ATOM 0 H GLY A 897 -8.401 4.750 11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 897 -8.403 7.573 10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 897 -7.961 7.164 12.094 1.00 0.00 H new ATOM 227 N TRP A 898 -5.854 7.507 10.217 1.00 0.00 N ATOM 228 CA TRP A 898 -4.457 7.366 9.853 1.00 0.00 C ATOM 229 C TRP A 898 -3.638 8.283 10.744 1.00 0.00 C ATOM 230 O TRP A 898 -4.009 9.435 10.947 1.00 0.00 O ATOM 231 CB TRP A 898 -4.231 7.742 8.379 1.00 0.00 C ATOM 232 CG TRP A 898 -5.482 7.723 7.543 1.00 0.00 C ATOM 233 CD1 TRP A 898 -6.203 8.807 7.131 1.00 0.00 C ATOM 234 CD2 TRP A 898 -6.160 6.573 7.022 1.00 0.00 C ATOM 235 NE1 TRP A 898 -7.290 8.402 6.396 1.00 0.00 N ATOM 236 CE2 TRP A 898 -7.284 7.037 6.311 1.00 0.00 C ATOM 237 CE3 TRP A 898 -5.926 5.199 7.086 1.00 0.00 C ATOM 238 CZ2 TRP A 898 -8.167 6.175 5.670 1.00 0.00 C ATOM 239 CZ3 TRP A 898 -6.806 4.344 6.451 1.00 0.00 C ATOM 240 CH2 TRP A 898 -7.913 4.836 5.750 1.00 0.00 C ATOM 0 H TRP A 898 -6.215 8.457 10.135 1.00 0.00 H new ATOM 0 HA TRP A 898 -4.153 6.328 9.986 1.00 0.00 H new ATOM 0 HB2 TRP A 898 -3.790 8.738 8.332 1.00 0.00 H new ATOM 0 HB3 TRP A 898 -3.507 7.052 7.946 1.00 0.00 H new ATOM 0 HD1 TRP A 898 -5.954 9.835 7.351 1.00 0.00 H new ATOM 0 HE1 TRP A 898 -7.988 9.019 5.981 1.00 0.00 H new ATOM 0 HE3 TRP A 898 -5.073 4.811 7.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 898 -9.023 6.551 5.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 898 -6.637 3.278 6.496 1.00 0.00 H new ATOM 0 HH2 TRP A 898 -8.581 4.141 5.262 1.00 0.00 H new ATOM 251 N ALA A 899 -2.532 7.796 11.268 1.00 0.00 N ATOM 252 CA ALA A 899 -1.713 8.599 12.155 1.00 0.00 C ATOM 253 C ALA A 899 -0.305 8.743 11.608 1.00 0.00 C ATOM 254 O ALA A 899 0.338 7.760 11.244 1.00 0.00 O ATOM 255 CB ALA A 899 -1.686 7.990 13.551 1.00 0.00 C ATOM 0 H ALA A 899 -2.180 6.854 11.097 1.00 0.00 H new ATOM 0 HA ALA A 899 -2.154 9.594 12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.067 8.605 14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -2.700 7.946 13.948 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -1.272 6.983 13.501 1.00 0.00 H new ATOM 261 N THR A 900 0.164 9.971 11.563 1.00 0.00 N ATOM 262 CA THR A 900 1.498 10.268 11.086 1.00 0.00 C ATOM 263 C THR A 900 2.339 10.847 12.215 1.00 0.00 C ATOM 264 O THR A 900 1.883 11.729 12.945 1.00 0.00 O ATOM 265 CB THR A 900 1.444 11.258 9.909 1.00 0.00 C ATOM 266 OG1 THR A 900 0.542 10.762 8.910 1.00 0.00 O ATOM 267 CG2 THR A 900 2.822 11.460 9.297 1.00 0.00 C ATOM 0 H THR A 900 -0.367 10.791 11.856 1.00 0.00 H new ATOM 0 HA THR A 900 1.956 9.341 10.739 1.00 0.00 H new ATOM 0 HB THR A 900 1.094 12.220 10.284 1.00 0.00 H new ATOM 0 HG1 THR A 900 0.505 11.392 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 900 2.752 12.164 8.468 1.00 0.00 H new ATOM 0 HG22 THR A 900 3.501 11.855 10.052 1.00 0.00 H new ATOM 0 HG23 THR A 900 3.201 10.506 8.931 1.00 0.00 H new ATOM 275 N GLN A 901 3.550 10.334 12.370 1.00 0.00 N ATOM 276 CA GLN A 901 4.452 10.818 13.401 1.00 0.00 C ATOM 277 C GLN A 901 5.378 11.872 12.820 1.00 0.00 C ATOM 278 O GLN A 901 6.178 11.585 11.926 1.00 0.00 O ATOM 279 CB GLN A 901 5.272 9.665 13.983 1.00 0.00 C ATOM 280 CG GLN A 901 4.426 8.546 14.574 1.00 0.00 C ATOM 281 CD GLN A 901 3.512 9.021 15.690 1.00 0.00 C ATOM 282 OE1 GLN A 901 3.827 9.965 16.411 1.00 0.00 O ATOM 283 NE2 GLN A 901 2.371 8.365 15.840 1.00 0.00 N ATOM 0 H GLN A 901 3.930 9.583 11.794 1.00 0.00 H new ATOM 0 HA GLN A 901 3.861 11.260 14.203 1.00 0.00 H new ATOM 0 HB2 GLN A 901 5.908 9.252 13.200 1.00 0.00 H new ATOM 0 HB3 GLN A 901 5.933 10.056 14.757 1.00 0.00 H new ATOM 0 HG2 GLN A 901 3.823 8.097 13.784 1.00 0.00 H new ATOM 0 HG3 GLN A 901 5.083 7.765 14.957 1.00 0.00 H new ATOM 0 HE21 GLN A 901 2.145 7.586 15.221 1.00 0.00 H new ATOM 0 HE22 GLN A 901 1.718 8.639 16.574 1.00 0.00 H new ATOM 292 N LEU A 902 5.257 13.092 13.316 1.00 0.00 N ATOM 293 CA LEU A 902 6.069 14.196 12.831 1.00 0.00 C ATOM 294 C LEU A 902 7.332 14.338 13.668 1.00 0.00 C ATOM 295 O LEU A 902 7.354 13.971 14.845 1.00 0.00 O ATOM 296 CB LEU A 902 5.278 15.512 12.845 1.00 0.00 C ATOM 297 CG LEU A 902 4.242 15.682 11.723 1.00 0.00 C ATOM 298 CD1 LEU A 902 3.071 14.727 11.896 1.00 0.00 C ATOM 299 CD2 LEU A 902 3.747 17.118 11.669 1.00 0.00 C ATOM 0 H LEU A 902 4.602 13.344 14.057 1.00 0.00 H new ATOM 0 HA LEU A 902 6.350 13.976 11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 902 4.765 15.595 13.803 1.00 0.00 H new ATOM 0 HB3 LEU A 902 5.985 16.340 12.789 1.00 0.00 H new ATOM 0 HG LEU A 902 4.733 15.441 10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 902 2.358 14.875 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 902 3.434 13.699 11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 902 2.581 14.921 12.850 1.00 0.00 H new ATOM 0 HD21 LEU A 902 3.014 17.220 10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 902 3.284 17.379 12.621 1.00 0.00 H new ATOM 0 HD23 LEU A 902 4.587 17.786 11.479 1.00 0.00 H new ATOM 311 N THR A 903 8.371 14.891 13.060 1.00 0.00 N ATOM 312 CA THR A 903 9.667 15.032 13.707 1.00 0.00 C ATOM 313 C THR A 903 9.612 15.970 14.917 1.00 0.00 C ATOM 314 O THR A 903 10.481 15.924 15.790 1.00 0.00 O ATOM 315 CB THR A 903 10.719 15.534 12.700 1.00 0.00 C ATOM 316 OG1 THR A 903 10.102 16.407 11.739 1.00 0.00 O ATOM 317 CG2 THR A 903 11.382 14.366 11.982 1.00 0.00 C ATOM 0 H THR A 903 8.340 15.254 12.107 1.00 0.00 H new ATOM 0 HA THR A 903 9.953 14.044 14.069 1.00 0.00 H new ATOM 0 HB THR A 903 11.484 16.083 13.250 1.00 0.00 H new ATOM 0 HG1 THR A 903 10.777 16.723 11.103 1.00 0.00 H new ATOM 0 HG21 THR A 903 12.121 14.745 11.276 1.00 0.00 H new ATOM 0 HG22 THR A 903 11.874 13.722 12.711 1.00 0.00 H new ATOM 0 HG23 THR A 903 10.626 13.794 11.444 1.00 0.00 H new ATOM 325 N SER A 904 8.578 16.799 14.980 1.00 0.00 N ATOM 326 CA SER A 904 8.424 17.746 16.076 1.00 0.00 C ATOM 327 C SER A 904 7.734 17.097 17.277 1.00 0.00 C ATOM 328 O SER A 904 7.501 17.748 18.296 1.00 0.00 O ATOM 329 CB SER A 904 7.625 18.956 15.595 1.00 0.00 C ATOM 330 OG SER A 904 8.184 19.488 14.403 1.00 0.00 O ATOM 0 H SER A 904 7.833 16.835 14.284 1.00 0.00 H new ATOM 0 HA SER A 904 9.414 18.068 16.398 1.00 0.00 H new ATOM 0 HB2 SER A 904 6.589 18.667 15.419 1.00 0.00 H new ATOM 0 HB3 SER A 904 7.614 19.722 16.370 1.00 0.00 H new ATOM 0 HG SER A 904 7.657 20.261 14.111 1.00 0.00 H new ATOM 336 N GLY A 905 7.411 15.813 17.155 1.00 0.00 N ATOM 337 CA GLY A 905 6.743 15.117 18.236 1.00 0.00 C ATOM 338 C GLY A 905 5.236 15.242 18.144 1.00 0.00 C ATOM 339 O GLY A 905 4.514 14.882 19.071 1.00 0.00 O ATOM 0 H GLY A 905 7.600 15.245 16.329 1.00 0.00 H new ATOM 0 HA2 GLY A 905 7.022 14.063 18.216 1.00 0.00 H new ATOM 0 HA3 GLY A 905 7.083 15.518 19.191 1.00 0.00 H new ATOM 343 N ALA A 906 4.764 15.768 17.028 1.00 0.00 N ATOM 344 CA ALA A 906 3.339 15.922 16.804 1.00 0.00 C ATOM 345 C ALA A 906 2.770 14.688 16.124 1.00 0.00 C ATOM 346 O ALA A 906 3.416 14.088 15.262 1.00 0.00 O ATOM 347 CB ALA A 906 3.064 17.164 15.971 1.00 0.00 C ATOM 0 H ALA A 906 5.350 16.097 16.260 1.00 0.00 H new ATOM 0 HA ALA A 906 2.848 16.039 17.770 1.00 0.00 H new ATOM 0 HB1 ALA A 906 1.990 17.265 15.812 1.00 0.00 H new ATOM 0 HB2 ALA A 906 3.438 18.044 16.495 1.00 0.00 H new ATOM 0 HB3 ALA A 906 3.567 17.075 15.008 1.00 0.00 H new ATOM 353 N VAL A 907 1.571 14.305 16.522 1.00 0.00 N ATOM 354 CA VAL A 907 0.885 13.192 15.904 1.00 0.00 C ATOM 355 C VAL A 907 -0.277 13.716 15.075 1.00 0.00 C ATOM 356 O VAL A 907 -1.164 14.405 15.588 1.00 0.00 O ATOM 357 CB VAL A 907 0.351 12.197 16.957 1.00 0.00 C ATOM 358 CG1 VAL A 907 -0.257 10.974 16.288 1.00 0.00 C ATOM 359 CG2 VAL A 907 1.451 11.787 17.926 1.00 0.00 C ATOM 0 H VAL A 907 1.051 14.754 17.276 1.00 0.00 H new ATOM 0 HA VAL A 907 1.598 12.665 15.271 1.00 0.00 H new ATOM 0 HB VAL A 907 -0.432 12.699 17.525 1.00 0.00 H new ATOM 0 HG11 VAL A 907 -0.626 10.288 17.050 1.00 0.00 H new ATOM 0 HG12 VAL A 907 -1.083 11.283 15.647 1.00 0.00 H new ATOM 0 HG13 VAL A 907 0.502 10.474 15.686 1.00 0.00 H new ATOM 0 HG21 VAL A 907 1.049 11.086 18.657 1.00 0.00 H new ATOM 0 HG22 VAL A 907 2.262 11.311 17.375 1.00 0.00 H new ATOM 0 HG23 VAL A 907 1.831 12.670 18.440 1.00 0.00 H new ATOM 369 N TRP A 908 -0.268 13.396 13.798 1.00 0.00 N ATOM 370 CA TRP A 908 -1.320 13.837 12.904 1.00 0.00 C ATOM 371 C TRP A 908 -2.254 12.673 12.614 1.00 0.00 C ATOM 372 O TRP A 908 -1.848 11.687 12.002 1.00 0.00 O ATOM 373 CB TRP A 908 -0.707 14.363 11.599 1.00 0.00 C ATOM 374 CG TRP A 908 -1.639 15.201 10.777 1.00 0.00 C ATOM 375 CD1 TRP A 908 -2.872 14.849 10.312 1.00 0.00 C ATOM 376 CD2 TRP A 908 -1.397 16.532 10.306 1.00 0.00 C ATOM 377 NE1 TRP A 908 -3.419 15.883 9.595 1.00 0.00 N ATOM 378 CE2 TRP A 908 -2.531 16.927 9.572 1.00 0.00 C ATOM 379 CE3 TRP A 908 -0.333 17.432 10.438 1.00 0.00 C ATOM 380 CZ2 TRP A 908 -2.632 18.179 8.975 1.00 0.00 C ATOM 381 CZ3 TRP A 908 -0.435 18.674 9.840 1.00 0.00 C ATOM 382 CH2 TRP A 908 -1.576 19.037 9.116 1.00 0.00 C ATOM 0 H TRP A 908 0.457 12.831 13.355 1.00 0.00 H new ATOM 0 HA TRP A 908 -1.886 14.642 13.374 1.00 0.00 H new ATOM 0 HB2 TRP A 908 0.178 14.952 11.838 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.374 13.516 11.000 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -3.348 13.895 10.483 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -4.337 15.876 9.151 1.00 0.00 H new ATOM 0 HE3 TRP A 908 0.551 17.161 10.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 -3.513 18.464 8.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.380 19.376 9.933 1.00 0.00 H new ATOM 0 HH2 TRP A 908 -1.624 20.014 8.659 1.00 0.00 H new ATOM 393 N VAL A 909 -3.496 12.778 13.055 1.00 0.00 N ATOM 394 CA VAL A 909 -4.464 11.721 12.816 1.00 0.00 C ATOM 395 C VAL A 909 -5.545 12.203 11.864 1.00 0.00 C ATOM 396 O VAL A 909 -6.282 13.134 12.166 1.00 0.00 O ATOM 397 CB VAL A 909 -5.121 11.225 14.123 1.00 0.00 C ATOM 398 CG1 VAL A 909 -6.082 10.073 13.844 1.00 0.00 C ATOM 399 CG2 VAL A 909 -4.063 10.806 15.132 1.00 0.00 C ATOM 0 H VAL A 909 -3.856 13.577 13.576 1.00 0.00 H new ATOM 0 HA VAL A 909 -3.921 10.886 12.373 1.00 0.00 H new ATOM 0 HB VAL A 909 -5.692 12.050 14.548 1.00 0.00 H new ATOM 0 HG11 VAL A 909 -6.533 9.740 14.779 1.00 0.00 H new ATOM 0 HG12 VAL A 909 -6.864 10.409 13.163 1.00 0.00 H new ATOM 0 HG13 VAL A 909 -5.536 9.246 13.390 1.00 0.00 H new ATOM 0 HG21 VAL A 909 -4.548 10.460 16.045 1.00 0.00 H new ATOM 0 HG22 VAL A 909 -3.460 10.000 14.714 1.00 0.00 H new ATOM 0 HG23 VAL A 909 -3.422 11.657 15.362 1.00 0.00 H new ATOM 409 N GLN A 910 -5.632 11.568 10.715 1.00 0.00 N ATOM 410 CA GLN A 910 -6.642 11.915 9.737 1.00 0.00 C ATOM 411 C GLN A 910 -7.754 10.884 9.755 1.00 0.00 C ATOM 412 O GLN A 910 -7.511 9.694 9.959 1.00 0.00 O ATOM 413 CB GLN A 910 -6.041 12.027 8.334 1.00 0.00 C ATOM 414 CG GLN A 910 -4.956 13.086 8.219 1.00 0.00 C ATOM 415 CD GLN A 910 -4.532 13.345 6.787 1.00 0.00 C ATOM 416 OE1 GLN A 910 -5.095 14.204 6.108 1.00 0.00 O ATOM 417 NE2 GLN A 910 -3.534 12.616 6.319 1.00 0.00 N ATOM 0 H GLN A 910 -5.014 10.807 10.434 1.00 0.00 H new ATOM 0 HA GLN A 910 -7.053 12.889 10.001 1.00 0.00 H new ATOM 0 HB2 GLN A 910 -5.626 11.061 8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 910 -6.836 12.255 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 910 -5.315 14.016 8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 910 -4.087 12.773 8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 910 -3.093 11.914 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 910 -3.205 12.756 5.364 1.00 0.00 H new ATOM 426 N PHE A 911 -8.967 11.347 9.561 1.00 0.00 N ATOM 427 CA PHE A 911 -10.125 10.481 9.534 1.00 0.00 C ATOM 428 C PHE A 911 -10.377 10.019 8.109 1.00 0.00 C ATOM 429 O PHE A 911 -10.034 10.720 7.154 1.00 0.00 O ATOM 430 CB PHE A 911 -11.345 11.230 10.064 1.00 0.00 C ATOM 431 CG PHE A 911 -12.103 10.492 11.128 1.00 0.00 C ATOM 432 CD1 PHE A 911 -12.849 9.366 10.816 1.00 0.00 C ATOM 433 CD2 PHE A 911 -12.075 10.929 12.441 1.00 0.00 C ATOM 434 CE1 PHE A 911 -13.551 8.692 11.793 1.00 0.00 C ATOM 435 CE2 PHE A 911 -12.775 10.257 13.423 1.00 0.00 C ATOM 436 CZ PHE A 911 -13.514 9.137 13.097 1.00 0.00 C ATOM 0 H PHE A 911 -9.180 12.334 9.417 1.00 0.00 H new ATOM 0 HA PHE A 911 -9.943 9.612 10.167 1.00 0.00 H new ATOM 0 HB2 PHE A 911 -11.022 12.191 10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 911 -12.018 11.440 9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 911 -12.881 9.013 9.796 1.00 0.00 H new ATOM 0 HD2 PHE A 911 -11.499 11.805 12.700 1.00 0.00 H new ATOM 0 HE1 PHE A 911 -14.129 7.816 11.537 1.00 0.00 H new ATOM 0 HE2 PHE A 911 -12.745 10.607 14.444 1.00 0.00 H new ATOM 0 HZ PHE A 911 -14.063 8.610 13.863 1.00 0.00 H new ATOM 446 N ASN A 912 -10.981 8.851 7.965 1.00 0.00 N ATOM 447 CA ASN A 912 -11.271 8.301 6.646 1.00 0.00 C ATOM 448 C ASN A 912 -12.280 9.156 5.880 1.00 0.00 C ATOM 449 O ASN A 912 -12.427 9.005 4.669 1.00 0.00 O ATOM 450 CB ASN A 912 -11.758 6.846 6.736 1.00 0.00 C ATOM 451 CG ASN A 912 -12.911 6.636 7.704 1.00 0.00 C ATOM 452 OD1 ASN A 912 -13.680 7.549 7.998 1.00 0.00 O ATOM 453 ND2 ASN A 912 -13.047 5.414 8.195 1.00 0.00 N ATOM 0 H ASN A 912 -11.281 8.264 8.743 1.00 0.00 H new ATOM 0 HA ASN A 912 -10.334 8.313 6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -12.066 6.515 5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -10.924 6.213 7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -13.809 5.205 8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -12.389 4.681 7.928 1.00 0.00 H new ATOM 460 N ASP A 913 -12.992 10.040 6.579 1.00 0.00 N ATOM 461 CA ASP A 913 -13.948 10.930 5.920 1.00 0.00 C ATOM 462 C ASP A 913 -13.274 12.215 5.428 1.00 0.00 C ATOM 463 O ASP A 913 -13.934 13.096 4.878 1.00 0.00 O ATOM 464 CB ASP A 913 -15.118 11.276 6.848 1.00 0.00 C ATOM 465 CG ASP A 913 -14.697 12.086 8.054 1.00 0.00 C ATOM 466 OD1 ASP A 913 -14.359 11.480 9.087 1.00 0.00 O ATOM 467 OD2 ASP A 913 -14.714 13.336 7.977 1.00 0.00 O ATOM 0 H ASP A 913 -12.927 10.159 7.590 1.00 0.00 H new ATOM 0 HA ASP A 913 -14.337 10.393 5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 913 -15.867 11.834 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 913 -15.593 10.354 7.184 1.00 0.00 H new ATOM 472 N GLY A 914 -11.964 12.317 5.615 1.00 0.00 N ATOM 473 CA GLY A 914 -11.222 13.441 5.063 1.00 0.00 C ATOM 474 C GLY A 914 -11.012 14.591 6.040 1.00 0.00 C ATOM 475 O GLY A 914 -10.490 15.640 5.656 1.00 0.00 O ATOM 0 H GLY A 914 -11.401 11.645 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -10.249 13.087 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -11.751 13.816 4.187 1.00 0.00 H new ATOM 479 N SER A 915 -11.407 14.409 7.291 1.00 0.00 N ATOM 480 CA SER A 915 -11.149 15.406 8.327 1.00 0.00 C ATOM 481 C SER A 915 -9.890 15.016 9.092 1.00 0.00 C ATOM 482 O SER A 915 -9.501 13.853 9.064 1.00 0.00 O ATOM 483 CB SER A 915 -12.348 15.493 9.272 1.00 0.00 C ATOM 484 OG SER A 915 -13.555 15.644 8.540 1.00 0.00 O ATOM 0 H SER A 915 -11.907 13.582 7.616 1.00 0.00 H new ATOM 0 HA SER A 915 -11.000 16.385 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 915 -12.399 14.594 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 915 -12.221 16.336 9.951 1.00 0.00 H new ATOM 0 HG SER A 915 -13.822 14.778 8.167 1.00 0.00 H new ATOM 490 N GLN A 916 -9.227 15.959 9.753 1.00 0.00 N ATOM 491 CA GLN A 916 -8.003 15.610 10.471 1.00 0.00 C ATOM 492 C GLN A 916 -7.958 16.180 11.886 1.00 0.00 C ATOM 493 O GLN A 916 -8.606 17.176 12.193 1.00 0.00 O ATOM 494 CB GLN A 916 -6.750 16.034 9.690 1.00 0.00 C ATOM 495 CG GLN A 916 -6.714 17.494 9.263 1.00 0.00 C ATOM 496 CD GLN A 916 -7.440 17.742 7.954 1.00 0.00 C ATOM 497 OE1 GLN A 916 -8.628 18.050 7.933 1.00 0.00 O ATOM 498 NE2 GLN A 916 -6.725 17.601 6.851 1.00 0.00 N ATOM 0 H GLN A 916 -9.503 16.940 9.808 1.00 0.00 H new ATOM 0 HA GLN A 916 -8.012 14.524 10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 916 -5.873 15.830 10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 916 -6.668 15.410 8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 916 -7.163 18.107 10.044 1.00 0.00 H new ATOM 0 HG3 GLN A 916 -5.677 17.813 9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 916 -5.740 17.344 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 916 -7.159 17.749 5.940 1.00 0.00 H new ATOM 507 N LEU A 917 -7.190 15.507 12.739 1.00 0.00 N ATOM 508 CA LEU A 917 -6.927 15.948 14.104 1.00 0.00 C ATOM 509 C LEU A 917 -5.420 16.075 14.289 1.00 0.00 C ATOM 510 O LEU A 917 -4.669 15.186 13.880 1.00 0.00 O ATOM 511 CB LEU A 917 -7.437 14.918 15.135 1.00 0.00 C ATOM 512 CG LEU A 917 -8.953 14.676 15.228 1.00 0.00 C ATOM 513 CD1 LEU A 917 -9.489 14.017 13.968 1.00 0.00 C ATOM 514 CD2 LEU A 917 -9.266 13.805 16.439 1.00 0.00 C ATOM 0 H LEU A 917 -6.728 14.630 12.498 1.00 0.00 H new ATOM 0 HA LEU A 917 -7.439 16.897 14.261 1.00 0.00 H new ATOM 0 HB2 LEU A 917 -6.960 13.963 14.916 1.00 0.00 H new ATOM 0 HB3 LEU A 917 -7.088 15.231 16.119 1.00 0.00 H new ATOM 0 HG LEU A 917 -9.441 15.644 15.337 1.00 0.00 H new ATOM 0 HD11 LEU A 917 -10.563 13.861 14.068 1.00 0.00 H new ATOM 0 HD12 LEU A 917 -9.294 14.660 13.110 1.00 0.00 H new ATOM 0 HD13 LEU A 917 -8.995 13.057 13.821 1.00 0.00 H new ATOM 0 HD21 LEU A 917 -10.341 13.638 16.499 1.00 0.00 H new ATOM 0 HD22 LEU A 917 -8.755 12.847 16.340 1.00 0.00 H new ATOM 0 HD23 LEU A 917 -8.926 14.306 17.345 1.00 0.00 H new ATOM 526 N VAL A 918 -4.966 17.157 14.896 1.00 0.00 N ATOM 527 CA VAL A 918 -3.558 17.269 15.241 1.00 0.00 C ATOM 528 C VAL A 918 -3.387 17.302 16.754 1.00 0.00 C ATOM 529 O VAL A 918 -3.905 18.195 17.427 1.00 0.00 O ATOM 530 CB VAL A 918 -2.914 18.528 14.624 1.00 0.00 C ATOM 531 CG1 VAL A 918 -1.423 18.571 14.927 1.00 0.00 C ATOM 532 CG2 VAL A 918 -3.159 18.575 13.123 1.00 0.00 C ATOM 0 H VAL A 918 -5.540 17.959 15.157 1.00 0.00 H new ATOM 0 HA VAL A 918 -3.053 16.394 14.831 1.00 0.00 H new ATOM 0 HB VAL A 918 -3.379 19.405 15.073 1.00 0.00 H new ATOM 0 HG11 VAL A 918 -0.987 19.466 14.483 1.00 0.00 H new ATOM 0 HG12 VAL A 918 -1.271 18.590 16.006 1.00 0.00 H new ATOM 0 HG13 VAL A 918 -0.941 17.687 14.509 1.00 0.00 H new ATOM 0 HG21 VAL A 918 -2.697 19.470 12.707 1.00 0.00 H new ATOM 0 HG22 VAL A 918 -2.724 17.691 12.656 1.00 0.00 H new ATOM 0 HG23 VAL A 918 -4.232 18.597 12.930 1.00 0.00 H new ATOM 542 N VAL A 919 -2.679 16.320 17.284 1.00 0.00 N ATOM 543 CA VAL A 919 -2.325 16.300 18.695 1.00 0.00 C ATOM 544 C VAL A 919 -0.808 16.208 18.841 1.00 0.00 C ATOM 545 O VAL A 919 -0.152 15.571 18.025 1.00 0.00 O ATOM 546 CB VAL A 919 -3.015 15.129 19.437 1.00 0.00 C ATOM 547 CG1 VAL A 919 -2.509 13.784 18.943 1.00 0.00 C ATOM 548 CG2 VAL A 919 -2.835 15.255 20.942 1.00 0.00 C ATOM 0 H VAL A 919 -2.335 15.519 16.754 1.00 0.00 H new ATOM 0 HA VAL A 919 -2.676 17.226 19.151 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.081 15.184 19.217 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -3.014 12.984 19.485 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -2.715 13.687 17.877 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -1.434 13.715 19.112 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.329 14.420 21.439 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -1.772 15.243 21.184 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -3.274 16.192 21.284 1.00 0.00 H new ATOM 558 N GLN A 920 -0.233 16.848 19.843 1.00 0.00 N ATOM 559 CA GLN A 920 1.189 16.664 20.094 1.00 0.00 C ATOM 560 C GLN A 920 1.376 15.549 21.116 1.00 0.00 C ATOM 561 O GLN A 920 0.611 15.453 22.076 1.00 0.00 O ATOM 562 CB GLN A 920 1.841 17.958 20.585 1.00 0.00 C ATOM 563 CG GLN A 920 3.359 17.877 20.653 1.00 0.00 C ATOM 564 CD GLN A 920 4.000 19.159 21.151 1.00 0.00 C ATOM 565 OE1 GLN A 920 3.417 19.893 21.948 1.00 0.00 O ATOM 566 NE2 GLN A 920 5.209 19.439 20.683 1.00 0.00 N ATOM 0 H GLN A 920 -0.711 17.484 20.482 1.00 0.00 H new ATOM 0 HA GLN A 920 1.678 16.389 19.159 1.00 0.00 H new ATOM 0 HB2 GLN A 920 1.557 18.775 19.922 1.00 0.00 H new ATOM 0 HB3 GLN A 920 1.452 18.201 21.574 1.00 0.00 H new ATOM 0 HG2 GLN A 920 3.644 17.056 21.310 1.00 0.00 H new ATOM 0 HG3 GLN A 920 3.749 17.643 19.663 1.00 0.00 H new ATOM 0 HE21 GLN A 920 5.660 18.805 20.023 1.00 0.00 H new ATOM 0 HE22 GLN A 920 5.688 20.288 20.983 1.00 0.00 H new ATOM 575 N ALA A 921 2.376 14.702 20.906 1.00 0.00 N ATOM 576 CA ALA A 921 2.639 13.599 21.817 1.00 0.00 C ATOM 577 C ALA A 921 2.962 14.114 23.214 1.00 0.00 C ATOM 578 O ALA A 921 3.813 14.987 23.384 1.00 0.00 O ATOM 579 CB ALA A 921 3.773 12.728 21.296 1.00 0.00 C ATOM 0 H ALA A 921 3.016 14.759 20.114 1.00 0.00 H new ATOM 0 HA ALA A 921 1.737 12.990 21.877 1.00 0.00 H new ATOM 0 HB1 ALA A 921 3.953 11.909 21.993 1.00 0.00 H new ATOM 0 HB2 ALA A 921 3.502 12.322 20.321 1.00 0.00 H new ATOM 0 HB3 ALA A 921 4.678 13.328 21.200 1.00 0.00 H new ATOM 585 N GLY A 922 2.273 13.577 24.210 1.00 0.00 N ATOM 586 CA GLY A 922 2.551 13.952 25.580 1.00 0.00 C ATOM 587 C GLY A 922 1.580 14.983 26.120 1.00 0.00 C ATOM 588 O GLY A 922 1.650 15.344 27.294 1.00 0.00 O ATOM 0 H GLY A 922 1.528 12.890 24.094 1.00 0.00 H new ATOM 0 HA2 GLY A 922 2.515 13.062 26.209 1.00 0.00 H new ATOM 0 HA3 GLY A 922 3.565 14.347 25.644 1.00 0.00 H new ATOM 592 N VAL A 923 0.675 15.465 25.278 1.00 0.00 N ATOM 593 CA VAL A 923 -0.316 16.440 25.713 1.00 0.00 C ATOM 594 C VAL A 923 -1.680 16.132 25.092 1.00 0.00 C ATOM 595 O VAL A 923 -1.760 15.548 24.013 1.00 0.00 O ATOM 596 CB VAL A 923 0.124 17.887 25.373 1.00 0.00 C ATOM 597 CG1 VAL A 923 0.132 18.123 23.871 1.00 0.00 C ATOM 598 CG2 VAL A 923 -0.756 18.906 26.084 1.00 0.00 C ATOM 0 H VAL A 923 0.607 15.199 24.296 1.00 0.00 H new ATOM 0 HA VAL A 923 -0.401 16.366 26.797 1.00 0.00 H new ATOM 0 HB VAL A 923 1.145 18.017 25.732 1.00 0.00 H new ATOM 0 HG11 VAL A 923 0.445 19.147 23.665 1.00 0.00 H new ATOM 0 HG12 VAL A 923 0.827 17.429 23.397 1.00 0.00 H new ATOM 0 HG13 VAL A 923 -0.870 17.963 23.472 1.00 0.00 H new ATOM 0 HG21 VAL A 923 -0.426 19.913 25.828 1.00 0.00 H new ATOM 0 HG22 VAL A 923 -1.792 18.773 25.771 1.00 0.00 H new ATOM 0 HG23 VAL A 923 -0.681 18.762 27.162 1.00 0.00 H new ATOM 608 N SER A 924 -2.743 16.507 25.788 1.00 0.00 N ATOM 609 CA SER A 924 -4.097 16.189 25.357 1.00 0.00 C ATOM 610 C SER A 924 -4.707 17.287 24.482 1.00 0.00 C ATOM 611 O SER A 924 -5.803 17.121 23.949 1.00 0.00 O ATOM 612 CB SER A 924 -4.964 15.956 26.587 1.00 0.00 C ATOM 613 OG SER A 924 -4.689 16.933 27.574 1.00 0.00 O ATOM 0 H SER A 924 -2.693 17.035 26.659 1.00 0.00 H new ATOM 0 HA SER A 924 -4.053 15.288 24.745 1.00 0.00 H new ATOM 0 HB2 SER A 924 -6.018 15.995 26.310 1.00 0.00 H new ATOM 0 HB3 SER A 924 -4.777 14.960 26.989 1.00 0.00 H new ATOM 0 HG SER A 924 -4.481 16.490 28.423 1.00 0.00 H new ATOM 619 N SER A 925 -4.009 18.411 24.348 1.00 0.00 N ATOM 620 CA SER A 925 -4.509 19.520 23.544 1.00 0.00 C ATOM 621 C SER A 925 -4.515 19.140 22.065 1.00 0.00 C ATOM 622 O SER A 925 -3.458 19.013 21.437 1.00 0.00 O ATOM 623 CB SER A 925 -3.668 20.781 23.790 1.00 0.00 C ATOM 624 OG SER A 925 -2.279 20.505 23.685 1.00 0.00 O ATOM 0 H SER A 925 -3.101 18.577 24.783 1.00 0.00 H new ATOM 0 HA SER A 925 -5.535 19.738 23.841 1.00 0.00 H new ATOM 0 HB2 SER A 925 -3.943 21.550 23.069 1.00 0.00 H new ATOM 0 HB3 SER A 925 -3.888 21.179 24.781 1.00 0.00 H new ATOM 0 HG SER A 925 -2.114 19.954 22.892 1.00 0.00 H new ATOM 630 N ILE A 926 -5.710 18.947 21.523 1.00 0.00 N ATOM 631 CA ILE A 926 -5.871 18.468 20.160 1.00 0.00 C ATOM 632 C ILE A 926 -6.624 19.499 19.320 1.00 0.00 C ATOM 633 O ILE A 926 -7.505 20.196 19.820 1.00 0.00 O ATOM 634 CB ILE A 926 -6.609 17.096 20.168 1.00 0.00 C ATOM 635 CG1 ILE A 926 -6.984 16.622 18.751 1.00 0.00 C ATOM 636 CG2 ILE A 926 -7.842 17.161 21.066 1.00 0.00 C ATOM 637 CD1 ILE A 926 -8.357 17.070 18.282 1.00 0.00 C ATOM 0 H ILE A 926 -6.588 19.117 22.013 1.00 0.00 H new ATOM 0 HA ILE A 926 -4.889 18.326 19.709 1.00 0.00 H new ATOM 0 HB ILE A 926 -5.916 16.358 20.572 1.00 0.00 H new ATOM 0 HG12 ILE A 926 -6.236 16.989 18.048 1.00 0.00 H new ATOM 0 HG13 ILE A 926 -6.941 15.533 18.722 1.00 0.00 H new ATOM 0 HG21 ILE A 926 -8.347 16.195 21.061 1.00 0.00 H new ATOM 0 HG22 ILE A 926 -7.538 17.407 22.084 1.00 0.00 H new ATOM 0 HG23 ILE A 926 -8.522 17.928 20.695 1.00 0.00 H new ATOM 0 HD11 ILE A 926 -8.539 16.693 17.276 1.00 0.00 H new ATOM 0 HD12 ILE A 926 -9.118 16.681 18.959 1.00 0.00 H new ATOM 0 HD13 ILE A 926 -8.401 18.159 18.274 1.00 0.00 H new ATOM 649 N SER A 927 -6.269 19.602 18.051 1.00 0.00 N ATOM 650 CA SER A 927 -6.938 20.521 17.147 1.00 0.00 C ATOM 651 C SER A 927 -7.616 19.753 16.019 1.00 0.00 C ATOM 652 O SER A 927 -6.970 18.996 15.295 1.00 0.00 O ATOM 653 CB SER A 927 -5.941 21.547 16.596 1.00 0.00 C ATOM 654 OG SER A 927 -4.727 20.930 16.206 1.00 0.00 O ATOM 0 H SER A 927 -5.519 19.059 17.623 1.00 0.00 H new ATOM 0 HA SER A 927 -7.708 21.061 17.698 1.00 0.00 H new ATOM 0 HB2 SER A 927 -6.381 22.061 15.741 1.00 0.00 H new ATOM 0 HB3 SER A 927 -5.739 22.304 17.354 1.00 0.00 H new ATOM 0 HG SER A 927 -4.112 21.609 15.858 1.00 0.00 H new ATOM 660 N TYR A 928 -8.918 19.935 15.884 1.00 0.00 N ATOM 661 CA TYR A 928 -9.680 19.252 14.857 1.00 0.00 C ATOM 662 C TYR A 928 -9.830 20.159 13.648 1.00 0.00 C ATOM 663 O TYR A 928 -10.242 21.311 13.767 1.00 0.00 O ATOM 664 CB TYR A 928 -11.053 18.863 15.414 1.00 0.00 C ATOM 665 CG TYR A 928 -11.954 18.147 14.433 1.00 0.00 C ATOM 666 CD1 TYR A 928 -11.627 16.886 13.959 1.00 0.00 C ATOM 667 CD2 TYR A 928 -13.140 18.724 13.998 1.00 0.00 C ATOM 668 CE1 TYR A 928 -12.454 16.219 13.079 1.00 0.00 C ATOM 669 CE2 TYR A 928 -13.973 18.063 13.114 1.00 0.00 C ATOM 670 CZ TYR A 928 -13.625 16.809 12.658 1.00 0.00 C ATOM 671 OH TYR A 928 -14.454 16.142 11.787 1.00 0.00 O ATOM 0 H TYR A 928 -9.471 20.554 16.477 1.00 0.00 H new ATOM 0 HA TYR A 928 -9.158 18.346 14.550 1.00 0.00 H new ATOM 0 HB2 TYR A 928 -10.909 18.225 16.286 1.00 0.00 H new ATOM 0 HB3 TYR A 928 -11.559 19.765 15.759 1.00 0.00 H new ATOM 0 HD1 TYR A 928 -10.710 16.418 14.284 1.00 0.00 H new ATOM 0 HD2 TYR A 928 -13.416 19.705 14.356 1.00 0.00 H new ATOM 0 HE1 TYR A 928 -12.184 15.237 12.721 1.00 0.00 H new ATOM 0 HE2 TYR A 928 -14.891 18.526 12.783 1.00 0.00 H new ATOM 0 HH TYR A 928 -15.238 16.697 11.591 1.00 0.00 H new ATOM 681 N THR A 929 -9.477 19.644 12.490 1.00 0.00 N ATOM 682 CA THR A 929 -9.537 20.419 11.273 1.00 0.00 C ATOM 683 C THR A 929 -10.582 19.865 10.315 1.00 0.00 C ATOM 684 O THR A 929 -10.552 18.678 9.956 1.00 0.00 O ATOM 685 CB THR A 929 -8.165 20.450 10.573 1.00 0.00 C ATOM 686 OG1 THR A 929 -7.146 20.816 11.515 1.00 0.00 O ATOM 687 CG2 THR A 929 -8.161 21.441 9.414 1.00 0.00 C ATOM 0 H THR A 929 -9.144 18.688 12.367 1.00 0.00 H new ATOM 0 HA THR A 929 -9.820 21.434 11.551 1.00 0.00 H new ATOM 0 HB THR A 929 -7.965 19.454 10.178 1.00 0.00 H new ATOM 0 HG1 THR A 929 -6.275 20.833 11.065 1.00 0.00 H new ATOM 0 HG21 THR A 929 -7.180 21.441 8.939 1.00 0.00 H new ATOM 0 HG22 THR A 929 -8.917 21.151 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 929 -8.383 22.440 9.789 1.00 0.00 H new ATOM 695 N SER A 930 -11.518 20.722 9.933 1.00 0.00 N ATOM 696 CA SER A 930 -12.428 20.431 8.848 1.00 0.00 C ATOM 697 C SER A 930 -12.034 21.287 7.647 1.00 0.00 C ATOM 698 O SER A 930 -12.112 22.522 7.702 1.00 0.00 O ATOM 699 CB SER A 930 -13.877 20.713 9.260 1.00 0.00 C ATOM 700 OG SER A 930 -14.775 20.435 8.200 1.00 0.00 O ATOM 0 H SER A 930 -11.663 21.633 10.368 1.00 0.00 H new ATOM 0 HA SER A 930 -12.363 19.374 8.588 1.00 0.00 H new ATOM 0 HB2 SER A 930 -14.136 20.106 10.128 1.00 0.00 H new ATOM 0 HB3 SER A 930 -13.976 21.756 9.560 1.00 0.00 H new ATOM 0 HG SER A 930 -15.692 20.622 8.491 1.00 0.00 H new ATOM 706 N PRO A 931 -11.594 20.640 6.553 1.00 0.00 N ATOM 707 CA PRO A 931 -11.105 21.322 5.342 1.00 0.00 C ATOM 708 C PRO A 931 -12.197 22.114 4.625 1.00 0.00 C ATOM 709 O PRO A 931 -11.965 22.703 3.569 1.00 0.00 O ATOM 710 CB PRO A 931 -10.607 20.175 4.451 1.00 0.00 C ATOM 711 CG PRO A 931 -10.471 19.004 5.362 1.00 0.00 C ATOM 712 CD PRO A 931 -11.525 19.180 6.413 1.00 0.00 C ATOM 0 HA PRO A 931 -10.337 22.057 5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 931 -11.311 19.968 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 931 -9.654 20.424 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 931 -10.611 18.069 4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 931 -9.477 18.968 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 931 -12.481 18.756 6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 931 -11.249 18.695 7.349 1.00 0.00 H new ATOM 720 N ASN A 932 -13.388 22.122 5.202 1.00 0.00 N ATOM 721 CA ASN A 932 -14.493 22.907 4.673 1.00 0.00 C ATOM 722 C ASN A 932 -14.384 24.340 5.171 1.00 0.00 C ATOM 723 O ASN A 932 -15.178 25.204 4.806 1.00 0.00 O ATOM 724 CB ASN A 932 -15.840 22.308 5.096 1.00 0.00 C ATOM 725 CG ASN A 932 -16.063 20.896 4.570 1.00 0.00 C ATOM 726 OD1 ASN A 932 -15.122 20.118 4.399 1.00 0.00 O ATOM 727 ND2 ASN A 932 -17.315 20.554 4.309 1.00 0.00 N ATOM 0 H ASN A 932 -13.615 21.590 6.042 1.00 0.00 H new ATOM 0 HA ASN A 932 -14.440 22.893 3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 932 -15.899 22.296 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 932 -16.644 22.952 4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 932 -17.526 19.621 3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 932 -18.069 21.223 4.462 1.00 0.00 H new ATOM 734 N GLY A 933 -13.388 24.579 6.018 1.00 0.00 N ATOM 735 CA GLY A 933 -13.152 25.908 6.542 1.00 0.00 C ATOM 736 C GLY A 933 -13.610 26.051 7.977 1.00 0.00 C ATOM 737 O GLY A 933 -14.252 27.042 8.331 1.00 0.00 O ATOM 0 H GLY A 933 -12.737 23.869 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 933 -12.088 26.137 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 933 -13.673 26.638 5.923 1.00 0.00 H new ATOM 741 N GLN A 934 -13.296 25.058 8.806 1.00 0.00 N ATOM 742 CA GLN A 934 -13.680 25.104 10.213 1.00 0.00 C ATOM 743 C GLN A 934 -12.767 24.223 11.068 1.00 0.00 C ATOM 744 O GLN A 934 -12.883 22.997 11.062 1.00 0.00 O ATOM 745 CB GLN A 934 -15.135 24.658 10.388 1.00 0.00 C ATOM 746 CG GLN A 934 -15.646 24.812 11.813 1.00 0.00 C ATOM 747 CD GLN A 934 -15.668 26.259 12.272 1.00 0.00 C ATOM 748 OE1 GLN A 934 -15.859 27.178 11.474 1.00 0.00 O ATOM 749 NE2 GLN A 934 -15.468 26.473 13.561 1.00 0.00 N ATOM 0 H GLN A 934 -12.782 24.221 8.531 1.00 0.00 H new ATOM 0 HA GLN A 934 -13.577 26.136 10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 934 -15.769 25.239 9.718 1.00 0.00 H new ATOM 0 HB3 GLN A 934 -15.226 23.614 10.088 1.00 0.00 H new ATOM 0 HG2 GLN A 934 -16.652 24.398 11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 934 -15.016 24.231 12.486 1.00 0.00 H new ATOM 0 HE21 GLN A 934 -15.313 25.686 14.191 1.00 0.00 H new ATOM 0 HE22 GLN A 934 -15.468 27.425 13.926 1.00 0.00 H new ATOM 758 N THR A 935 -11.836 24.844 11.774 1.00 0.00 N ATOM 759 CA THR A 935 -11.011 24.122 12.726 1.00 0.00 C ATOM 760 C THR A 935 -11.447 24.433 14.160 1.00 0.00 C ATOM 761 O THR A 935 -11.640 25.593 14.528 1.00 0.00 O ATOM 762 CB THR A 935 -9.502 24.427 12.536 1.00 0.00 C ATOM 763 OG1 THR A 935 -8.714 23.607 13.410 1.00 0.00 O ATOM 764 CG2 THR A 935 -9.184 25.896 12.790 1.00 0.00 C ATOM 0 H THR A 935 -11.634 25.841 11.706 1.00 0.00 H new ATOM 0 HA THR A 935 -11.153 23.058 12.538 1.00 0.00 H new ATOM 0 HB THR A 935 -9.254 24.201 11.499 1.00 0.00 H new ATOM 0 HG1 THR A 935 -9.189 22.769 13.589 1.00 0.00 H new ATOM 0 HG21 THR A 935 -8.117 26.067 12.646 1.00 0.00 H new ATOM 0 HG22 THR A 935 -9.748 26.516 12.093 1.00 0.00 H new ATOM 0 HG23 THR A 935 -9.459 26.156 13.812 1.00 0.00 H new ATOM 772 N THR A 936 -11.658 23.392 14.949 1.00 0.00 N ATOM 773 CA THR A 936 -11.959 23.550 16.360 1.00 0.00 C ATOM 774 C THR A 936 -10.860 22.916 17.202 1.00 0.00 C ATOM 775 O THR A 936 -10.493 21.762 16.989 1.00 0.00 O ATOM 776 CB THR A 936 -13.321 22.921 16.718 1.00 0.00 C ATOM 777 OG1 THR A 936 -13.432 21.618 16.129 1.00 0.00 O ATOM 778 CG2 THR A 936 -14.473 23.795 16.243 1.00 0.00 C ATOM 0 H THR A 936 -11.626 22.423 14.632 1.00 0.00 H new ATOM 0 HA THR A 936 -12.012 24.617 16.574 1.00 0.00 H new ATOM 0 HB THR A 936 -13.376 22.837 17.803 1.00 0.00 H new ATOM 0 HG1 THR A 936 -13.391 20.937 16.832 1.00 0.00 H new ATOM 0 HG21 THR A 936 -15.420 23.326 16.510 1.00 0.00 H new ATOM 0 HG22 THR A 936 -14.407 24.774 16.718 1.00 0.00 H new ATOM 0 HG23 THR A 936 -14.418 23.912 15.161 1.00 0.00 H new ATOM 786 N ARG A 937 -10.327 23.661 18.154 1.00 0.00 N ATOM 787 CA ARG A 937 -9.257 23.145 18.993 1.00 0.00 C ATOM 788 C ARG A 937 -9.768 22.864 20.397 1.00 0.00 C ATOM 789 O ARG A 937 -10.373 23.721 21.040 1.00 0.00 O ATOM 790 CB ARG A 937 -8.077 24.119 19.023 1.00 0.00 C ATOM 791 CG ARG A 937 -8.478 25.565 19.261 1.00 0.00 C ATOM 792 CD ARG A 937 -7.274 26.490 19.202 1.00 0.00 C ATOM 793 NE ARG A 937 -6.483 26.286 17.990 1.00 0.00 N ATOM 794 CZ ARG A 937 -6.679 26.938 16.847 1.00 0.00 C ATOM 795 NH1 ARG A 937 -7.653 27.833 16.735 1.00 0.00 N ATOM 796 NH2 ARG A 937 -5.898 26.693 15.807 1.00 0.00 N ATOM 0 H ARG A 937 -10.613 24.617 18.365 1.00 0.00 H new ATOM 0 HA ARG A 937 -8.906 22.205 18.566 1.00 0.00 H new ATOM 0 HB2 ARG A 937 -7.384 23.811 19.806 1.00 0.00 H new ATOM 0 HB3 ARG A 937 -7.539 24.052 18.077 1.00 0.00 H new ATOM 0 HG2 ARG A 937 -9.210 25.869 18.513 1.00 0.00 H new ATOM 0 HG3 ARG A 937 -8.961 25.655 20.234 1.00 0.00 H new ATOM 0 HD2 ARG A 937 -7.611 27.526 19.245 1.00 0.00 H new ATOM 0 HD3 ARG A 937 -6.646 26.323 20.077 1.00 0.00 H new ATOM 0 HE ARG A 937 -5.731 25.598 18.023 1.00 0.00 H new ATOM 0 HH11 ARG A 937 -8.261 28.027 17.531 1.00 0.00 H new ATOM 0 HH12 ARG A 937 -7.793 28.326 15.853 1.00 0.00 H new ATOM 0 HH21 ARG A 937 -5.148 26.006 15.883 1.00 0.00 H new ATOM 0 HH22 ARG A 937 -6.046 27.191 14.929 1.00 0.00 H new ATOM 810 N TYR A 938 -9.532 21.649 20.855 1.00 0.00 N ATOM 811 CA TYR A 938 -10.029 21.205 22.143 1.00 0.00 C ATOM 812 C TYR A 938 -8.898 21.002 23.139 1.00 0.00 C ATOM 813 O TYR A 938 -7.829 20.492 22.796 1.00 0.00 O ATOM 814 CB TYR A 938 -10.834 19.916 21.984 1.00 0.00 C ATOM 815 CG TYR A 938 -12.048 20.076 21.099 1.00 0.00 C ATOM 816 CD1 TYR A 938 -13.227 20.611 21.598 1.00 0.00 C ATOM 817 CD2 TYR A 938 -12.011 19.698 19.764 1.00 0.00 C ATOM 818 CE1 TYR A 938 -14.337 20.765 20.791 1.00 0.00 C ATOM 819 CE2 TYR A 938 -13.116 19.849 18.950 1.00 0.00 C ATOM 820 CZ TYR A 938 -14.275 20.382 19.467 1.00 0.00 C ATOM 821 OH TYR A 938 -15.377 20.535 18.656 1.00 0.00 O ATOM 0 H TYR A 938 -8.994 20.946 20.348 1.00 0.00 H new ATOM 0 HA TYR A 938 -10.680 21.986 22.535 1.00 0.00 H new ATOM 0 HB2 TYR A 938 -10.189 19.142 21.568 1.00 0.00 H new ATOM 0 HB3 TYR A 938 -11.153 19.571 22.968 1.00 0.00 H new ATOM 0 HD1 TYR A 938 -13.277 20.912 22.634 1.00 0.00 H new ATOM 0 HD2 TYR A 938 -11.103 19.279 19.355 1.00 0.00 H new ATOM 0 HE1 TYR A 938 -15.248 21.183 21.194 1.00 0.00 H new ATOM 0 HE2 TYR A 938 -13.071 19.550 17.913 1.00 0.00 H new ATOM 0 HH TYR A 938 -15.165 20.218 17.753 1.00 0.00 H new ATOM 831 N GLY A 939 -9.149 21.410 24.367 1.00 0.00 N ATOM 832 CA GLY A 939 -8.213 21.178 25.443 1.00 0.00 C ATOM 833 C GLY A 939 -8.744 20.144 26.411 1.00 0.00 C ATOM 834 O GLY A 939 -9.898 19.726 26.301 1.00 0.00 O ATOM 0 H GLY A 939 -9.997 21.905 24.643 1.00 0.00 H new ATOM 0 HA2 GLY A 939 -7.260 20.843 25.034 1.00 0.00 H new ATOM 0 HA3 GLY A 939 -8.023 22.112 25.972 1.00 0.00 H new ATOM 838 N GLU A 940 -7.919 19.740 27.364 1.00 0.00 N ATOM 839 CA GLU A 940 -8.290 18.693 28.310 1.00 0.00 C ATOM 840 C GLU A 940 -9.431 19.141 29.226 1.00 0.00 C ATOM 841 O GLU A 940 -10.181 18.316 29.750 1.00 0.00 O ATOM 842 CB GLU A 940 -7.075 18.282 29.140 1.00 0.00 C ATOM 843 CG GLU A 940 -7.279 17.003 29.932 1.00 0.00 C ATOM 844 CD GLU A 940 -6.034 16.589 30.680 1.00 0.00 C ATOM 845 OE1 GLU A 940 -5.076 16.119 30.037 1.00 0.00 O ATOM 846 OE2 GLU A 940 -6.004 16.737 31.917 1.00 0.00 O ATOM 0 H GLU A 940 -6.984 20.122 27.505 1.00 0.00 H new ATOM 0 HA GLU A 940 -8.642 17.834 27.738 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -6.219 18.155 28.477 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -6.827 19.089 29.829 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -8.096 17.143 30.640 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -7.577 16.202 29.255 1.00 0.00 H new ATOM 853 N ASN A 941 -9.566 20.448 29.416 1.00 0.00 N ATOM 854 CA ASN A 941 -10.603 20.980 30.295 1.00 0.00 C ATOM 855 C ASN A 941 -11.845 21.368 29.492 1.00 0.00 C ATOM 856 O ASN A 941 -12.841 21.847 30.042 1.00 0.00 O ATOM 857 CB ASN A 941 -10.072 22.187 31.075 1.00 0.00 C ATOM 858 CG ASN A 941 -10.995 22.610 32.206 1.00 0.00 C ATOM 859 OD1 ASN A 941 -11.712 21.787 32.778 1.00 0.00 O ATOM 860 ND2 ASN A 941 -10.980 23.889 32.546 1.00 0.00 N ATOM 0 H ASN A 941 -8.976 21.155 28.978 1.00 0.00 H new ATOM 0 HA ASN A 941 -10.884 20.202 31.005 1.00 0.00 H new ATOM 0 HB2 ASN A 941 -9.091 21.946 31.484 1.00 0.00 H new ATOM 0 HB3 ASN A 941 -9.936 23.025 30.391 1.00 0.00 H new ATOM 0 HD21 ASN A 941 -11.575 24.222 33.304 1.00 0.00 H new ATOM 0 HD22 ASN A 941 -10.373 24.542 32.050 1.00 0.00 H new ATOM 867 N GLU A 942 -11.797 21.124 28.190 1.00 0.00 N ATOM 868 CA GLU A 942 -12.915 21.445 27.314 1.00 0.00 C ATOM 869 C GLU A 942 -13.844 20.243 27.197 1.00 0.00 C ATOM 870 O GLU A 942 -13.535 19.162 27.703 1.00 0.00 O ATOM 871 CB GLU A 942 -12.406 21.861 25.929 1.00 0.00 C ATOM 872 CG GLU A 942 -11.475 23.063 25.958 1.00 0.00 C ATOM 873 CD GLU A 942 -12.116 24.287 26.578 1.00 0.00 C ATOM 874 OE1 GLU A 942 -12.979 24.908 25.919 1.00 0.00 O ATOM 875 OE2 GLU A 942 -11.763 24.635 27.723 1.00 0.00 O ATOM 0 H GLU A 942 -10.996 20.705 27.717 1.00 0.00 H new ATOM 0 HA GLU A 942 -13.469 22.280 27.742 1.00 0.00 H new ATOM 0 HB2 GLU A 942 -11.884 21.019 25.475 1.00 0.00 H new ATOM 0 HB3 GLU A 942 -13.260 22.089 25.291 1.00 0.00 H new ATOM 0 HG2 GLU A 942 -10.575 22.807 26.518 1.00 0.00 H new ATOM 0 HG3 GLU A 942 -11.161 23.298 24.941 1.00 0.00 H new ATOM 882 N LYS A 943 -14.986 20.429 26.561 1.00 0.00 N ATOM 883 CA LYS A 943 -15.919 19.334 26.377 1.00 0.00 C ATOM 884 C LYS A 943 -15.791 18.768 24.969 1.00 0.00 C ATOM 885 O LYS A 943 -15.767 19.513 23.985 1.00 0.00 O ATOM 886 CB LYS A 943 -17.362 19.773 26.659 1.00 0.00 C ATOM 887 CG LYS A 943 -17.932 20.761 25.652 1.00 0.00 C ATOM 888 CD LYS A 943 -19.377 21.140 25.962 1.00 0.00 C ATOM 889 CE LYS A 943 -20.333 19.952 25.856 1.00 0.00 C ATOM 890 NZ LYS A 943 -20.272 19.053 27.046 1.00 0.00 N ATOM 0 H LYS A 943 -15.288 21.320 26.166 1.00 0.00 H new ATOM 0 HA LYS A 943 -15.670 18.552 27.094 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -17.999 18.889 26.681 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -17.404 20.221 27.652 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -17.317 21.661 25.643 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -17.879 20.328 24.653 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -19.431 21.557 26.968 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -19.699 21.923 25.275 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -21.352 20.321 25.737 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -20.095 19.378 24.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -19.861 18.138 26.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -19.681 19.490 27.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -21.232 18.903 27.417 1.00 0.00 H new ATOM 904 N LEU A 944 -15.674 17.457 24.877 1.00 0.00 N ATOM 905 CA LEU A 944 -15.610 16.796 23.588 1.00 0.00 C ATOM 906 C LEU A 944 -16.998 16.327 23.178 1.00 0.00 C ATOM 907 O LEU A 944 -17.720 15.744 23.986 1.00 0.00 O ATOM 908 CB LEU A 944 -14.643 15.601 23.621 1.00 0.00 C ATOM 909 CG LEU A 944 -13.155 15.945 23.771 1.00 0.00 C ATOM 910 CD1 LEU A 944 -12.775 17.083 22.844 1.00 0.00 C ATOM 911 CD2 LEU A 944 -12.806 16.289 25.210 1.00 0.00 C ATOM 0 H LEU A 944 -15.621 16.829 25.679 1.00 0.00 H new ATOM 0 HA LEU A 944 -15.237 17.514 22.857 1.00 0.00 H new ATOM 0 HB2 LEU A 944 -14.930 14.949 24.446 1.00 0.00 H new ATOM 0 HB3 LEU A 944 -14.773 15.028 22.703 1.00 0.00 H new ATOM 0 HG LEU A 944 -12.581 15.062 23.492 1.00 0.00 H new ATOM 0 HD11 LEU A 944 -11.716 17.313 22.965 1.00 0.00 H new ATOM 0 HD12 LEU A 944 -12.968 16.791 21.812 1.00 0.00 H new ATOM 0 HD13 LEU A 944 -13.368 17.965 23.088 1.00 0.00 H new ATOM 0 HD21 LEU A 944 -11.745 16.527 25.280 1.00 0.00 H new ATOM 0 HD22 LEU A 944 -13.393 17.149 25.531 1.00 0.00 H new ATOM 0 HD23 LEU A 944 -13.030 15.437 25.852 1.00 0.00 H new ATOM 923 N PRO A 945 -17.396 16.591 21.924 1.00 0.00 N ATOM 924 CA PRO A 945 -18.702 16.172 21.404 1.00 0.00 C ATOM 925 C PRO A 945 -18.869 14.658 21.455 1.00 0.00 C ATOM 926 O PRO A 945 -19.698 14.140 22.202 1.00 0.00 O ATOM 927 CB PRO A 945 -18.696 16.670 19.953 1.00 0.00 C ATOM 928 CG PRO A 945 -17.660 17.741 19.916 1.00 0.00 C ATOM 929 CD PRO A 945 -16.619 17.339 20.921 1.00 0.00 C ATOM 0 HA PRO A 945 -19.527 16.575 21.991 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -18.455 15.864 19.260 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -19.673 17.057 19.664 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -17.227 17.832 18.920 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -18.091 18.711 20.166 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -15.841 16.722 20.471 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -16.125 18.206 21.359 1.00 0.00 H new ATOM 937 N ASP A 946 -18.061 13.951 20.670 1.00 0.00 N ATOM 938 CA ASP A 946 -18.079 12.491 20.667 1.00 0.00 C ATOM 939 C ASP A 946 -16.852 11.928 19.968 1.00 0.00 C ATOM 940 O ASP A 946 -16.010 11.290 20.598 1.00 0.00 O ATOM 941 CB ASP A 946 -19.340 11.950 19.986 1.00 0.00 C ATOM 942 CG ASP A 946 -19.345 10.433 19.913 1.00 0.00 C ATOM 943 OD1 ASP A 946 -19.738 9.783 20.902 1.00 0.00 O ATOM 944 OD2 ASP A 946 -18.946 9.880 18.867 1.00 0.00 O ATOM 0 H ASP A 946 -17.386 14.365 20.028 1.00 0.00 H new ATOM 0 HA ASP A 946 -18.075 12.172 21.709 1.00 0.00 H new ATOM 0 HB2 ASP A 946 -20.220 12.289 20.532 1.00 0.00 H new ATOM 0 HB3 ASP A 946 -19.412 12.361 18.979 1.00 0.00 H new ATOM 949 N TYR A 947 -16.742 12.199 18.669 1.00 0.00 N ATOM 950 CA TYR A 947 -15.708 11.583 17.838 1.00 0.00 C ATOM 951 C TYR A 947 -14.309 11.930 18.335 1.00 0.00 C ATOM 952 O TYR A 947 -13.392 11.109 18.262 1.00 0.00 O ATOM 953 CB TYR A 947 -15.845 12.053 16.387 1.00 0.00 C ATOM 954 CG TYR A 947 -17.274 12.253 15.927 1.00 0.00 C ATOM 955 CD1 TYR A 947 -18.062 11.179 15.536 1.00 0.00 C ATOM 956 CD2 TYR A 947 -17.829 13.526 15.881 1.00 0.00 C ATOM 957 CE1 TYR A 947 -19.365 11.368 15.111 1.00 0.00 C ATOM 958 CE2 TYR A 947 -19.128 13.724 15.458 1.00 0.00 C ATOM 959 CZ TYR A 947 -19.893 12.643 15.074 1.00 0.00 C ATOM 960 OH TYR A 947 -21.189 12.838 14.648 1.00 0.00 O ATOM 0 H TYR A 947 -17.356 12.841 18.168 1.00 0.00 H new ATOM 0 HA TYR A 947 -15.845 10.503 17.898 1.00 0.00 H new ATOM 0 HB2 TYR A 947 -15.303 12.992 16.269 1.00 0.00 H new ATOM 0 HB3 TYR A 947 -15.365 11.324 15.735 1.00 0.00 H new ATOM 0 HD1 TYR A 947 -17.652 10.180 15.564 1.00 0.00 H new ATOM 0 HD2 TYR A 947 -17.234 14.375 16.181 1.00 0.00 H new ATOM 0 HE1 TYR A 947 -19.966 10.523 14.810 1.00 0.00 H new ATOM 0 HE2 TYR A 947 -19.543 14.721 15.428 1.00 0.00 H new ATOM 0 HH TYR A 947 -21.405 13.793 14.684 1.00 0.00 H new ATOM 970 N ILE A 948 -14.159 13.136 18.873 1.00 0.00 N ATOM 971 CA ILE A 948 -12.869 13.579 19.376 1.00 0.00 C ATOM 972 C ILE A 948 -12.498 12.797 20.624 1.00 0.00 C ATOM 973 O ILE A 948 -11.365 12.361 20.777 1.00 0.00 O ATOM 974 CB ILE A 948 -12.865 15.088 19.698 1.00 0.00 C ATOM 975 CG1 ILE A 948 -13.415 15.892 18.517 1.00 0.00 C ATOM 976 CG2 ILE A 948 -11.454 15.548 20.038 1.00 0.00 C ATOM 977 CD1 ILE A 948 -12.614 15.730 17.241 1.00 0.00 C ATOM 0 H ILE A 948 -14.911 13.818 18.970 1.00 0.00 H new ATOM 0 HA ILE A 948 -12.135 13.397 18.591 1.00 0.00 H new ATOM 0 HB ILE A 948 -13.509 15.260 20.561 1.00 0.00 H new ATOM 0 HG12 ILE A 948 -14.445 15.587 18.330 1.00 0.00 H new ATOM 0 HG13 ILE A 948 -13.440 16.947 18.788 1.00 0.00 H new ATOM 0 HG21 ILE A 948 -11.463 16.614 20.263 1.00 0.00 H new ATOM 0 HG22 ILE A 948 -11.091 14.997 20.905 1.00 0.00 H new ATOM 0 HG23 ILE A 948 -10.796 15.362 19.189 1.00 0.00 H new ATOM 0 HD11 ILE A 948 -13.065 16.329 16.450 1.00 0.00 H new ATOM 0 HD12 ILE A 948 -11.590 16.063 17.410 1.00 0.00 H new ATOM 0 HD13 ILE A 948 -12.610 14.681 16.944 1.00 0.00 H new ATOM 989 N LYS A 949 -13.477 12.605 21.499 1.00 0.00 N ATOM 990 CA LYS A 949 -13.281 11.848 22.728 1.00 0.00 C ATOM 991 C LYS A 949 -12.950 10.394 22.411 1.00 0.00 C ATOM 992 O LYS A 949 -12.044 9.804 23.004 1.00 0.00 O ATOM 993 CB LYS A 949 -14.543 11.926 23.589 1.00 0.00 C ATOM 994 CG LYS A 949 -14.435 11.195 24.916 1.00 0.00 C ATOM 995 CD LYS A 949 -15.745 11.247 25.681 1.00 0.00 C ATOM 996 CE LYS A 949 -15.623 10.589 27.045 1.00 0.00 C ATOM 997 NZ LYS A 949 -16.900 10.654 27.802 1.00 0.00 N ATOM 0 H LYS A 949 -14.423 12.967 21.378 1.00 0.00 H new ATOM 0 HA LYS A 949 -12.445 12.279 23.278 1.00 0.00 H new ATOM 0 HB2 LYS A 949 -14.774 12.974 23.781 1.00 0.00 H new ATOM 0 HB3 LYS A 949 -15.380 11.513 23.026 1.00 0.00 H new ATOM 0 HG2 LYS A 949 -14.155 10.156 24.740 1.00 0.00 H new ATOM 0 HG3 LYS A 949 -13.642 11.642 25.516 1.00 0.00 H new ATOM 0 HD2 LYS A 949 -16.054 12.285 25.804 1.00 0.00 H new ATOM 0 HD3 LYS A 949 -16.524 10.748 25.104 1.00 0.00 H new ATOM 0 HE2 LYS A 949 -15.326 9.548 26.922 1.00 0.00 H new ATOM 0 HE3 LYS A 949 -14.835 11.080 27.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 949 -16.779 10.195 28.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 949 -17.171 11.648 27.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 949 -17.646 10.164 27.268 1.00 0.00 H new ATOM 1011 N GLN A 950 -13.695 9.833 21.467 1.00 0.00 N ATOM 1012 CA GLN A 950 -13.503 8.454 21.047 1.00 0.00 C ATOM 1013 C GLN A 950 -12.095 8.251 20.488 1.00 0.00 C ATOM 1014 O GLN A 950 -11.432 7.257 20.783 1.00 0.00 O ATOM 1015 CB GLN A 950 -14.549 8.087 19.989 1.00 0.00 C ATOM 1016 CG GLN A 950 -14.685 6.592 19.751 1.00 0.00 C ATOM 1017 CD GLN A 950 -15.230 5.861 20.962 1.00 0.00 C ATOM 1018 OE1 GLN A 950 -14.479 5.410 21.824 1.00 0.00 O ATOM 1019 NE2 GLN A 950 -16.544 5.740 21.035 1.00 0.00 N ATOM 0 H GLN A 950 -14.445 10.319 20.975 1.00 0.00 H new ATOM 0 HA GLN A 950 -13.623 7.804 21.913 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -15.516 8.486 20.295 1.00 0.00 H new ATOM 0 HB3 GLN A 950 -14.287 8.572 19.049 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -15.344 6.421 18.900 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -13.711 6.179 19.488 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -17.134 6.128 20.299 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -16.969 5.258 21.828 1.00 0.00 H new ATOM 1028 N LYS A 951 -11.651 9.192 19.663 1.00 0.00 N ATOM 1029 CA LYS A 951 -10.308 9.140 19.104 1.00 0.00 C ATOM 1030 C LYS A 951 -9.259 9.430 20.168 1.00 0.00 C ATOM 1031 O LYS A 951 -8.194 8.819 20.183 1.00 0.00 O ATOM 1032 CB LYS A 951 -10.180 10.093 17.916 1.00 0.00 C ATOM 1033 CG LYS A 951 -10.921 9.592 16.686 1.00 0.00 C ATOM 1034 CD LYS A 951 -10.349 8.265 16.210 1.00 0.00 C ATOM 1035 CE LYS A 951 -11.286 7.555 15.245 1.00 0.00 C ATOM 1036 NZ LYS A 951 -12.545 7.120 15.912 1.00 0.00 N ATOM 0 H LYS A 951 -12.201 9.998 19.367 1.00 0.00 H new ATOM 0 HA LYS A 951 -10.130 8.128 18.740 1.00 0.00 H new ATOM 0 HB2 LYS A 951 -10.568 11.072 18.196 1.00 0.00 H new ATOM 0 HB3 LYS A 951 -9.126 10.226 17.672 1.00 0.00 H new ATOM 0 HG2 LYS A 951 -11.980 9.474 16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 951 -10.850 10.331 15.888 1.00 0.00 H new ATOM 0 HD2 LYS A 951 -9.389 8.438 15.723 1.00 0.00 H new ATOM 0 HD3 LYS A 951 -10.159 7.623 17.070 1.00 0.00 H new ATOM 0 HE2 LYS A 951 -11.526 8.221 14.416 1.00 0.00 H new ATOM 0 HE3 LYS A 951 -10.781 6.687 14.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 951 -13.003 6.382 15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 951 -12.325 6.741 16.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 951 -13.187 7.933 16.006 1.00 0.00 H new ATOM 1050 N LEU A 952 -9.578 10.361 21.054 1.00 0.00 N ATOM 1051 CA LEU A 952 -8.682 10.757 22.131 1.00 0.00 C ATOM 1052 C LEU A 952 -8.320 9.561 23.003 1.00 0.00 C ATOM 1053 O LEU A 952 -7.189 9.440 23.473 1.00 0.00 O ATOM 1054 CB LEU A 952 -9.349 11.837 22.983 1.00 0.00 C ATOM 1055 CG LEU A 952 -8.442 12.534 23.990 1.00 0.00 C ATOM 1056 CD1 LEU A 952 -7.328 13.270 23.269 1.00 0.00 C ATOM 1057 CD2 LEU A 952 -9.255 13.491 24.842 1.00 0.00 C ATOM 0 H LEU A 952 -10.465 10.864 21.047 1.00 0.00 H new ATOM 0 HA LEU A 952 -7.766 11.152 21.692 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -9.770 12.591 22.318 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -10.182 11.386 23.522 1.00 0.00 H new ATOM 0 HG LEU A 952 -7.991 11.786 24.643 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -6.687 13.764 23.999 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -6.738 12.560 22.689 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -7.758 14.016 22.600 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -8.600 13.986 25.559 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -9.724 14.239 24.203 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -10.026 12.937 25.377 1.00 0.00 H new ATOM 1069 N GLN A 953 -9.282 8.672 23.205 1.00 0.00 N ATOM 1070 CA GLN A 953 -9.055 7.474 24.001 1.00 0.00 C ATOM 1071 C GLN A 953 -8.040 6.570 23.302 1.00 0.00 C ATOM 1072 O GLN A 953 -7.215 5.926 23.952 1.00 0.00 O ATOM 1073 CB GLN A 953 -10.388 6.735 24.224 1.00 0.00 C ATOM 1074 CG GLN A 953 -10.333 5.590 25.234 1.00 0.00 C ATOM 1075 CD GLN A 953 -10.140 4.224 24.594 1.00 0.00 C ATOM 1076 OE1 GLN A 953 -9.532 4.098 23.535 1.00 0.00 O ATOM 1077 NE2 GLN A 953 -10.668 3.187 25.232 1.00 0.00 N ATOM 0 H GLN A 953 -10.226 8.757 22.829 1.00 0.00 H new ATOM 0 HA GLN A 953 -8.651 7.755 24.973 1.00 0.00 H new ATOM 0 HB2 GLN A 953 -11.134 7.456 24.556 1.00 0.00 H new ATOM 0 HB3 GLN A 953 -10.731 6.339 23.268 1.00 0.00 H new ATOM 0 HG2 GLN A 953 -9.518 5.773 25.934 1.00 0.00 H new ATOM 0 HG3 GLN A 953 -11.256 5.583 25.814 1.00 0.00 H new ATOM 0 HE21 GLN A 953 -11.167 3.329 26.110 1.00 0.00 H new ATOM 0 HE22 GLN A 953 -10.575 2.248 24.844 1.00 0.00 H new ATOM 1086 N CYS A 954 -8.090 6.553 21.971 1.00 0.00 N ATOM 1087 CA CYS A 954 -7.178 5.744 21.176 1.00 0.00 C ATOM 1088 C CYS A 954 -5.769 6.337 21.204 1.00 0.00 C ATOM 1089 O CYS A 954 -4.774 5.630 21.032 1.00 0.00 O ATOM 1090 CB CYS A 954 -7.695 5.648 19.737 1.00 0.00 C ATOM 1091 SG CYS A 954 -6.832 4.445 18.700 1.00 0.00 S ATOM 0 H CYS A 954 -8.757 7.094 21.422 1.00 0.00 H new ATOM 0 HA CYS A 954 -7.130 4.742 21.602 1.00 0.00 H new ATOM 0 HB2 CYS A 954 -8.754 5.391 19.763 1.00 0.00 H new ATOM 0 HB3 CYS A 954 -7.617 6.630 19.271 1.00 0.00 H new ATOM 0 HG CYS A 954 -5.603 4.324 19.107 1.00 0.00 H new ATOM 1097 N LEU A 955 -5.692 7.641 21.441 1.00 0.00 N ATOM 1098 CA LEU A 955 -4.413 8.343 21.479 1.00 0.00 C ATOM 1099 C LEU A 955 -3.620 7.970 22.727 1.00 0.00 C ATOM 1100 O LEU A 955 -2.394 8.040 22.736 1.00 0.00 O ATOM 1101 CB LEU A 955 -4.635 9.857 21.427 1.00 0.00 C ATOM 1102 CG LEU A 955 -5.313 10.372 20.156 1.00 0.00 C ATOM 1103 CD1 LEU A 955 -5.520 11.876 20.236 1.00 0.00 C ATOM 1104 CD2 LEU A 955 -4.488 10.013 18.932 1.00 0.00 C ATOM 0 H LEU A 955 -6.503 8.236 21.610 1.00 0.00 H new ATOM 0 HA LEU A 955 -3.836 8.040 20.606 1.00 0.00 H new ATOM 0 HB2 LEU A 955 -5.239 10.149 22.286 1.00 0.00 H new ATOM 0 HB3 LEU A 955 -3.670 10.353 21.532 1.00 0.00 H new ATOM 0 HG LEU A 955 -6.289 9.894 20.067 1.00 0.00 H new ATOM 0 HD11 LEU A 955 -6.003 12.226 19.324 1.00 0.00 H new ATOM 0 HD12 LEU A 955 -6.150 12.111 21.094 1.00 0.00 H new ATOM 0 HD13 LEU A 955 -4.555 12.371 20.348 1.00 0.00 H new ATOM 0 HD21 LEU A 955 -4.984 10.387 18.036 1.00 0.00 H new ATOM 0 HD22 LEU A 955 -3.499 10.465 19.014 1.00 0.00 H new ATOM 0 HD23 LEU A 955 -4.387 8.930 18.866 1.00 0.00 H new