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 929 THR OG1 : rot 88:sc= 0.575 USER MOD Set 1.2: A 935 THR OG1 : rot 180:sc= 0.527 USER MOD Set 2.1: A 915 SER OG : rot 98:sc= 2.09 USER MOD Set 2.2: A 930 SER OG : rot 81:sc= 1.01 USER MOD Set 3.1: A 900 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 910 GLN : amide:sc= -4.54! K(o=-6.3!,f=-0.75) USER MOD Set 3.3: A 916 GLN : amide:sc= -1.79! K(o=-6.3!,f=-1.2) USER MOD Single : A 889 LYS NZ :NH3+ -140:sc= -0.151 (180deg=-0.666) USER MOD Single : A 890 SER OG : rot 180:sc= 0 USER MOD Single : A 894 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0191) USER MOD Single : A 895 ASN : amide:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 901 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 903 THR OG1 : rot 180:sc= 0.00464 USER MOD Single : A 904 SER OG : rot -40:sc= 0.136 USER MOD Single : A 912 ASN : amide:sc= -0.166 K(o=-0.17,f=-3.9!) USER MOD Single : A 920 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 924 SER OG : rot -20:sc= 0.284 USER MOD Single : A 925 SER OG : rot 180:sc= 0 USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 928 TYR OH : rot 154:sc= 0.00286 USER MOD Single : A 932 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 934 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.85) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 TYR OH : rot 180:sc= 0 USER MOD Single : A 941 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 943 LYS NZ :NH3+ 170:sc=-0.000111 (180deg=-0.101) 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=-0.00259 X(o=-0.0026,f=-0.45) USER MOD Single : A 951 LYS NZ :NH3+ 159:sc= 0.0442 (180deg=-0.00121) USER MOD Single : A 953 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 954 CYS SG : rot 72:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 889 5.687 7.616 8.757 1.00 0.00 N ATOM 84 CA LYS A 889 5.234 7.674 10.153 1.00 0.00 C ATOM 85 C LYS A 889 3.711 7.729 10.250 1.00 0.00 C ATOM 86 O LYS A 889 3.167 8.218 11.243 1.00 0.00 O ATOM 87 CB LYS A 889 5.828 8.882 10.887 1.00 0.00 C ATOM 88 CG LYS A 889 7.168 8.619 11.550 1.00 0.00 C ATOM 89 CD LYS A 889 8.297 8.492 10.546 1.00 0.00 C ATOM 90 CE LYS A 889 9.637 8.362 11.249 1.00 0.00 C ATOM 91 NZ LYS A 889 9.891 9.507 12.164 1.00 0.00 N ATOM 0 HA LYS A 889 5.586 6.759 10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 889 5.942 9.702 10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 889 5.120 9.214 11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 889 7.392 9.430 12.243 1.00 0.00 H new ATOM 0 HG3 LYS A 889 7.105 7.704 12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 889 8.129 7.621 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 889 8.308 9.365 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 889 9.662 7.431 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 889 10.433 8.305 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 889 10.890 9.790 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 889 9.286 10.308 11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 889 9.676 9.225 13.141 1.00 0.00 H new ATOM 105 N SER A 890 3.022 7.217 9.241 1.00 0.00 N ATOM 106 CA SER A 890 1.571 7.270 9.239 1.00 0.00 C ATOM 107 C SER A 890 0.961 5.900 9.516 1.00 0.00 C ATOM 108 O SER A 890 1.455 4.870 9.048 1.00 0.00 O ATOM 109 CB SER A 890 1.067 7.809 7.898 1.00 0.00 C ATOM 110 OG SER A 890 1.566 7.039 6.816 1.00 0.00 O ATOM 0 H SER A 890 3.438 6.767 8.426 1.00 0.00 H new ATOM 0 HA SER A 890 1.259 7.942 10.039 1.00 0.00 H new ATOM 0 HB2 SER A 890 -0.023 7.797 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 890 1.376 8.848 7.781 1.00 0.00 H new ATOM 0 HG SER A 890 1.228 7.404 5.972 1.00 0.00 H new ATOM 116 N VAL A 891 -0.119 5.908 10.279 1.00 0.00 N ATOM 117 CA VAL A 891 -0.889 4.710 10.570 1.00 0.00 C ATOM 118 C VAL A 891 -2.347 4.972 10.216 1.00 0.00 C ATOM 119 O VAL A 891 -2.851 6.062 10.461 1.00 0.00 O ATOM 120 CB VAL A 891 -0.778 4.324 12.066 1.00 0.00 C ATOM 121 CG1 VAL A 891 -1.556 3.051 12.362 1.00 0.00 C ATOM 122 CG2 VAL A 891 0.680 4.167 12.475 1.00 0.00 C ATOM 0 H VAL A 891 -0.489 6.752 10.717 1.00 0.00 H new ATOM 0 HA VAL A 891 -0.495 3.883 9.980 1.00 0.00 H new ATOM 0 HB VAL A 891 -1.216 5.131 12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 891 -1.460 2.804 13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 891 -2.608 3.202 12.118 1.00 0.00 H new ATOM 0 HG13 VAL A 891 -1.158 2.233 11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 891 0.735 3.896 13.529 1.00 0.00 H new ATOM 0 HG22 VAL A 891 1.144 3.385 11.874 1.00 0.00 H new ATOM 0 HG23 VAL A 891 1.206 5.108 12.315 1.00 0.00 H new ATOM 132 N PHE A 892 -3.024 3.996 9.637 1.00 0.00 N ATOM 133 CA PHE A 892 -4.413 4.185 9.247 1.00 0.00 C ATOM 134 C PHE A 892 -5.343 3.428 10.188 1.00 0.00 C ATOM 135 O PHE A 892 -5.128 2.251 10.480 1.00 0.00 O ATOM 136 CB PHE A 892 -4.643 3.759 7.786 1.00 0.00 C ATOM 137 CG PHE A 892 -4.272 2.332 7.478 1.00 0.00 C ATOM 138 CD1 PHE A 892 -2.978 2.003 7.103 1.00 0.00 C ATOM 139 CD2 PHE A 892 -5.217 1.320 7.559 1.00 0.00 C ATOM 140 CE1 PHE A 892 -2.634 0.695 6.816 1.00 0.00 C ATOM 141 CE2 PHE A 892 -4.878 0.012 7.274 1.00 0.00 C ATOM 142 CZ PHE A 892 -3.586 -0.301 6.902 1.00 0.00 C ATOM 0 H PHE A 892 -2.641 3.074 9.428 1.00 0.00 H new ATOM 0 HA PHE A 892 -4.643 5.248 9.322 1.00 0.00 H new ATOM 0 HB2 PHE A 892 -5.695 3.907 7.540 1.00 0.00 H new ATOM 0 HB3 PHE A 892 -4.068 4.418 7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 892 -2.229 2.778 7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 892 -6.230 1.558 7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 892 -1.622 0.453 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 892 -5.624 -0.766 7.342 1.00 0.00 H new ATOM 0 HZ PHE A 892 -3.320 -1.324 6.679 1.00 0.00 H new ATOM 152 N VAL A 893 -6.363 4.111 10.686 1.00 0.00 N ATOM 153 CA VAL A 893 -7.347 3.466 11.532 1.00 0.00 C ATOM 154 C VAL A 893 -8.583 3.143 10.706 1.00 0.00 C ATOM 155 O VAL A 893 -9.246 4.058 10.184 1.00 0.00 O ATOM 156 CB VAL A 893 -7.744 4.361 12.727 1.00 0.00 C ATOM 157 CG1 VAL A 893 -8.719 3.637 13.644 1.00 0.00 C ATOM 158 CG2 VAL A 893 -6.508 4.809 13.494 1.00 0.00 C ATOM 0 H VAL A 893 -6.528 5.104 10.519 1.00 0.00 H new ATOM 0 HA VAL A 893 -6.907 2.551 11.930 1.00 0.00 H new ATOM 0 HB VAL A 893 -8.244 5.248 12.339 1.00 0.00 H new ATOM 0 HG11 VAL A 893 -8.984 4.286 14.478 1.00 0.00 H new ATOM 0 HG12 VAL A 893 -9.619 3.377 13.086 1.00 0.00 H new ATOM 0 HG13 VAL A 893 -8.253 2.728 14.025 1.00 0.00 H new ATOM 0 HG21 VAL A 893 -6.808 5.438 14.332 1.00 0.00 H new ATOM 0 HG22 VAL A 893 -5.976 3.935 13.869 1.00 0.00 H new ATOM 0 HG23 VAL A 893 -5.854 5.375 12.831 1.00 0.00 H new ATOM 168 N LYS A 894 -8.872 1.833 10.614 1.00 0.00 N ATOM 169 CA LYS A 894 -9.973 1.266 9.813 1.00 0.00 C ATOM 170 C LYS A 894 -10.053 1.868 8.405 1.00 0.00 C ATOM 171 O LYS A 894 -11.080 1.760 7.727 1.00 0.00 O ATOM 172 CB LYS A 894 -11.313 1.425 10.538 1.00 0.00 C ATOM 173 CG LYS A 894 -11.349 0.796 11.931 1.00 0.00 C ATOM 174 CD LYS A 894 -10.769 -0.617 11.950 1.00 0.00 C ATOM 175 CE LYS A 894 -11.485 -1.560 10.991 1.00 0.00 C ATOM 176 NZ LYS A 894 -12.924 -1.723 11.320 1.00 0.00 N ATOM 0 H LYS A 894 -8.333 1.121 11.107 1.00 0.00 H new ATOM 0 HA LYS A 894 -9.756 0.204 9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 894 -11.543 2.487 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 894 -12.098 0.978 9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 894 -10.790 1.424 12.624 1.00 0.00 H new ATOM 0 HG3 LYS A 894 -12.379 0.767 12.287 1.00 0.00 H new ATOM 0 HD2 LYS A 894 -9.711 -0.575 11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 894 -10.832 -1.018 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 894 -11.389 -1.180 9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 894 -10.998 -2.535 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 894 -13.353 -2.412 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 894 -13.020 -2.063 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 894 -13.408 -0.808 11.223 1.00 0.00 H new ATOM 190 N ASN A 895 -8.962 2.502 7.980 1.00 0.00 N ATOM 191 CA ASN A 895 -8.891 3.216 6.708 1.00 0.00 C ATOM 192 C ASN A 895 -9.957 4.311 6.674 1.00 0.00 C ATOM 193 O ASN A 895 -10.389 4.759 5.612 1.00 0.00 O ATOM 194 CB ASN A 895 -9.054 2.244 5.534 1.00 0.00 C ATOM 195 CG ASN A 895 -8.402 2.745 4.259 1.00 0.00 C ATOM 196 OD1 ASN A 895 -7.213 2.519 4.026 1.00 0.00 O ATOM 197 ND2 ASN A 895 -9.168 3.421 3.423 1.00 0.00 N ATOM 0 H ASN A 895 -8.094 2.534 8.515 1.00 0.00 H new ATOM 0 HA ASN A 895 -7.911 3.684 6.613 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -8.621 1.281 5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -10.116 2.077 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -8.780 3.776 2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -10.148 3.588 3.651 1.00 0.00 H new ATOM 204 N VAL A 896 -10.363 4.754 7.858 1.00 0.00 N ATOM 205 CA VAL A 896 -11.298 5.858 7.981 1.00 0.00 C ATOM 206 C VAL A 896 -10.526 7.109 8.351 1.00 0.00 C ATOM 207 O VAL A 896 -10.898 8.228 7.990 1.00 0.00 O ATOM 208 CB VAL A 896 -12.379 5.585 9.057 1.00 0.00 C ATOM 209 CG1 VAL A 896 -13.377 6.730 9.131 1.00 0.00 C ATOM 210 CG2 VAL A 896 -13.098 4.272 8.785 1.00 0.00 C ATOM 0 H VAL A 896 -10.056 4.362 8.748 1.00 0.00 H new ATOM 0 HA VAL A 896 -11.808 5.983 7.026 1.00 0.00 H new ATOM 0 HB VAL A 896 -11.875 5.508 10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 896 -14.124 6.512 9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 896 -12.855 7.652 9.387 1.00 0.00 H new ATOM 0 HG13 VAL A 896 -13.868 6.848 8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 896 -13.852 4.104 9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 896 -13.580 4.317 7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 896 -12.378 3.454 8.797 1.00 0.00 H new ATOM 220 N GLY A 897 -9.428 6.903 9.066 1.00 0.00 N ATOM 221 CA GLY A 897 -8.530 8.000 9.340 1.00 0.00 C ATOM 222 C GLY A 897 -7.086 7.580 9.221 1.00 0.00 C ATOM 223 O GLY A 897 -6.772 6.393 9.322 1.00 0.00 O ATOM 0 H GLY A 897 -9.147 6.004 9.457 1.00 0.00 H new ATOM 0 HA2 GLY A 897 -8.730 8.817 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 897 -8.717 8.382 10.344 1.00 0.00 H new ATOM 227 N TRP A 898 -6.213 8.541 8.995 1.00 0.00 N ATOM 228 CA TRP A 898 -4.792 8.289 8.972 1.00 0.00 C ATOM 229 C TRP A 898 -4.104 9.214 9.961 1.00 0.00 C ATOM 230 O TRP A 898 -4.438 10.393 10.053 1.00 0.00 O ATOM 231 CB TRP A 898 -4.211 8.409 7.545 1.00 0.00 C ATOM 232 CG TRP A 898 -4.776 9.522 6.696 1.00 0.00 C ATOM 233 CD1 TRP A 898 -6.085 9.720 6.353 1.00 0.00 C ATOM 234 CD2 TRP A 898 -4.034 10.555 6.034 1.00 0.00 C ATOM 235 NE1 TRP A 898 -6.204 10.826 5.548 1.00 0.00 N ATOM 236 CE2 TRP A 898 -4.961 11.356 5.336 1.00 0.00 C ATOM 237 CE3 TRP A 898 -2.680 10.890 5.976 1.00 0.00 C ATOM 238 CZ2 TRP A 898 -4.572 12.462 4.584 1.00 0.00 C ATOM 239 CZ3 TRP A 898 -2.297 11.988 5.230 1.00 0.00 C ATOM 240 CH2 TRP A 898 -3.241 12.764 4.546 1.00 0.00 C ATOM 0 H TRP A 898 -6.470 9.513 8.823 1.00 0.00 H new ATOM 0 HA TRP A 898 -4.606 7.260 9.278 1.00 0.00 H new ATOM 0 HB2 TRP A 898 -3.133 8.549 7.623 1.00 0.00 H new ATOM 0 HB3 TRP A 898 -4.373 7.464 7.027 1.00 0.00 H new ATOM 0 HD1 TRP A 898 -6.907 9.096 6.670 1.00 0.00 H new ATOM 0 HE1 TRP A 898 -7.077 11.193 5.170 1.00 0.00 H new ATOM 0 HE3 TRP A 898 -1.945 10.301 6.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 898 -5.297 13.059 4.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 898 -1.251 12.252 5.173 1.00 0.00 H new ATOM 0 HH2 TRP A 898 -2.909 13.619 3.976 1.00 0.00 H new ATOM 251 N ALA A 899 -3.170 8.671 10.716 1.00 0.00 N ATOM 252 CA ALA A 899 -2.511 9.424 11.763 1.00 0.00 C ATOM 253 C ALA A 899 -1.004 9.408 11.585 1.00 0.00 C ATOM 254 O ALA A 899 -0.406 8.359 11.367 1.00 0.00 O ATOM 255 CB ALA A 899 -2.885 8.857 13.124 1.00 0.00 C ATOM 0 H ALA A 899 -2.850 7.707 10.623 1.00 0.00 H new ATOM 0 HA ALA A 899 -2.846 10.459 11.700 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -2.385 9.429 13.906 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -3.964 8.921 13.261 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.574 7.814 13.182 1.00 0.00 H new ATOM 261 N THR A 900 -0.403 10.578 11.672 1.00 0.00 N ATOM 262 CA THR A 900 1.041 10.706 11.599 1.00 0.00 C ATOM 263 C THR A 900 1.613 10.976 12.991 1.00 0.00 C ATOM 264 O THR A 900 1.186 11.909 13.674 1.00 0.00 O ATOM 265 CB THR A 900 1.445 11.848 10.646 1.00 0.00 C ATOM 266 OG1 THR A 900 0.731 11.727 9.405 1.00 0.00 O ATOM 267 CG2 THR A 900 2.942 11.825 10.374 1.00 0.00 C ATOM 0 H THR A 900 -0.897 11.462 11.794 1.00 0.00 H new ATOM 0 HA THR A 900 1.446 9.770 11.213 1.00 0.00 H new ATOM 0 HB THR A 900 1.192 12.794 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 900 0.992 12.457 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 900 3.202 12.640 9.699 1.00 0.00 H new ATOM 0 HG22 THR A 900 3.484 11.944 11.312 1.00 0.00 H new ATOM 0 HG23 THR A 900 3.214 10.874 9.916 1.00 0.00 H new ATOM 275 N GLN A 901 2.562 10.152 13.412 1.00 0.00 N ATOM 276 CA GLN A 901 3.172 10.304 14.725 1.00 0.00 C ATOM 277 C GLN A 901 4.325 11.300 14.661 1.00 0.00 C ATOM 278 O GLN A 901 5.322 11.071 13.973 1.00 0.00 O ATOM 279 CB GLN A 901 3.668 8.955 15.254 1.00 0.00 C ATOM 280 CG GLN A 901 4.167 9.017 16.688 1.00 0.00 C ATOM 281 CD GLN A 901 4.640 7.674 17.202 1.00 0.00 C ATOM 282 OE1 GLN A 901 5.134 6.839 16.441 1.00 0.00 O ATOM 283 NE2 GLN A 901 4.482 7.449 18.496 1.00 0.00 N ATOM 0 H GLN A 901 2.926 9.372 12.864 1.00 0.00 H new ATOM 0 HA GLN A 901 2.415 10.684 15.411 1.00 0.00 H new ATOM 0 HB2 GLN A 901 2.859 8.228 15.190 1.00 0.00 H new ATOM 0 HB3 GLN A 901 4.472 8.595 14.612 1.00 0.00 H new ATOM 0 HG2 GLN A 901 4.985 9.734 16.753 1.00 0.00 H new ATOM 0 HG3 GLN A 901 3.368 9.386 17.331 1.00 0.00 H new ATOM 0 HE21 GLN A 901 4.069 8.167 19.092 1.00 0.00 H new ATOM 0 HE22 GLN A 901 4.773 6.558 18.898 1.00 0.00 H new ATOM 292 N LEU A 902 4.176 12.402 15.381 1.00 0.00 N ATOM 293 CA LEU A 902 5.166 13.470 15.381 1.00 0.00 C ATOM 294 C LEU A 902 6.308 13.152 16.338 1.00 0.00 C ATOM 295 O LEU A 902 6.145 12.367 17.274 1.00 0.00 O ATOM 296 CB LEU A 902 4.499 14.792 15.767 1.00 0.00 C ATOM 297 CG LEU A 902 3.350 15.219 14.854 1.00 0.00 C ATOM 298 CD1 LEU A 902 2.685 16.480 15.380 1.00 0.00 C ATOM 299 CD2 LEU A 902 3.860 15.433 13.439 1.00 0.00 C ATOM 0 H LEU A 902 3.370 12.581 15.979 1.00 0.00 H new ATOM 0 HA LEU A 902 5.583 13.559 14.378 1.00 0.00 H new ATOM 0 HB2 LEU A 902 4.123 14.709 16.787 1.00 0.00 H new ATOM 0 HB3 LEU A 902 5.255 15.578 15.769 1.00 0.00 H new ATOM 0 HG LEU A 902 2.604 14.425 14.840 1.00 0.00 H new ATOM 0 HD11 LEU A 902 1.870 16.766 14.715 1.00 0.00 H new ATOM 0 HD12 LEU A 902 2.290 16.294 16.379 1.00 0.00 H new ATOM 0 HD13 LEU A 902 3.417 17.286 15.424 1.00 0.00 H new ATOM 0 HD21 LEU A 902 3.034 15.737 12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 902 4.623 16.211 13.441 1.00 0.00 H new ATOM 0 HD23 LEU A 902 4.290 14.505 13.063 1.00 0.00 H new ATOM 311 N THR A 903 7.451 13.787 16.116 1.00 0.00 N ATOM 312 CA THR A 903 8.656 13.500 16.882 1.00 0.00 C ATOM 313 C THR A 903 8.508 13.915 18.348 1.00 0.00 C ATOM 314 O THR A 903 9.202 13.398 19.225 1.00 0.00 O ATOM 315 CB THR A 903 9.862 14.238 16.276 1.00 0.00 C ATOM 316 OG1 THR A 903 9.824 14.144 14.845 1.00 0.00 O ATOM 317 CG2 THR A 903 11.162 13.646 16.788 1.00 0.00 C ATOM 0 H THR A 903 7.569 14.510 15.406 1.00 0.00 H new ATOM 0 HA THR A 903 8.815 12.423 16.839 1.00 0.00 H new ATOM 0 HB THR A 903 9.810 15.285 16.574 1.00 0.00 H new ATOM 0 HG1 THR A 903 10.594 14.617 14.466 1.00 0.00 H new ATOM 0 HG21 THR A 903 12.004 14.181 16.348 1.00 0.00 H new ATOM 0 HG22 THR A 903 11.201 13.738 17.873 1.00 0.00 H new ATOM 0 HG23 THR A 903 11.217 12.593 16.511 1.00 0.00 H new ATOM 325 N SER A 904 7.587 14.832 18.611 1.00 0.00 N ATOM 326 CA SER A 904 7.357 15.314 19.966 1.00 0.00 C ATOM 327 C SER A 904 6.425 14.364 20.725 1.00 0.00 C ATOM 328 O SER A 904 6.097 14.594 21.889 1.00 0.00 O ATOM 329 CB SER A 904 6.769 16.730 19.926 1.00 0.00 C ATOM 330 OG SER A 904 6.865 17.369 21.190 1.00 0.00 O ATOM 0 H SER A 904 6.987 15.257 17.904 1.00 0.00 H new ATOM 0 HA SER A 904 8.310 15.346 20.493 1.00 0.00 H new ATOM 0 HB2 SER A 904 7.294 17.322 19.177 1.00 0.00 H new ATOM 0 HB3 SER A 904 5.724 16.683 19.619 1.00 0.00 H new ATOM 0 HG SER A 904 6.670 16.722 21.899 1.00 0.00 H new ATOM 336 N GLY A 905 6.005 13.293 20.060 1.00 0.00 N ATOM 337 CA GLY A 905 5.173 12.295 20.708 1.00 0.00 C ATOM 338 C GLY A 905 3.698 12.579 20.539 1.00 0.00 C ATOM 339 O GLY A 905 2.850 11.884 21.104 1.00 0.00 O ATOM 0 H GLY A 905 6.226 13.098 19.083 1.00 0.00 H new ATOM 0 HA2 GLY A 905 5.401 11.312 20.296 1.00 0.00 H new ATOM 0 HA3 GLY A 905 5.414 12.259 21.770 1.00 0.00 H new ATOM 343 N ALA A 906 3.394 13.605 19.763 1.00 0.00 N ATOM 344 CA ALA A 906 2.018 13.957 19.471 1.00 0.00 C ATOM 345 C ALA A 906 1.554 13.225 18.223 1.00 0.00 C ATOM 346 O ALA A 906 2.313 13.076 17.267 1.00 0.00 O ATOM 347 CB ALA A 906 1.881 15.462 19.290 1.00 0.00 C ATOM 0 H ALA A 906 4.086 14.211 19.323 1.00 0.00 H new ATOM 0 HA ALA A 906 1.390 13.657 20.310 1.00 0.00 H new ATOM 0 HB1 ALA A 906 0.842 15.709 19.071 1.00 0.00 H new ATOM 0 HB2 ALA A 906 2.190 15.968 20.205 1.00 0.00 H new ATOM 0 HB3 ALA A 906 2.513 15.788 18.464 1.00 0.00 H new ATOM 353 N VAL A 907 0.320 12.762 18.228 1.00 0.00 N ATOM 354 CA VAL A 907 -0.220 12.054 17.084 1.00 0.00 C ATOM 355 C VAL A 907 -1.204 12.948 16.345 1.00 0.00 C ATOM 356 O VAL A 907 -2.166 13.450 16.932 1.00 0.00 O ATOM 357 CB VAL A 907 -0.925 10.745 17.500 1.00 0.00 C ATOM 358 CG1 VAL A 907 -1.358 9.957 16.273 1.00 0.00 C ATOM 359 CG2 VAL A 907 -0.018 9.904 18.386 1.00 0.00 C ATOM 0 H VAL A 907 -0.327 12.863 19.010 1.00 0.00 H new ATOM 0 HA VAL A 907 0.613 11.794 16.431 1.00 0.00 H new ATOM 0 HB VAL A 907 -1.816 11.003 18.073 1.00 0.00 H new ATOM 0 HG11 VAL A 907 -1.853 9.038 16.587 1.00 0.00 H new ATOM 0 HG12 VAL A 907 -2.049 10.557 15.680 1.00 0.00 H new ATOM 0 HG13 VAL A 907 -0.483 9.711 15.671 1.00 0.00 H new ATOM 0 HG21 VAL A 907 -0.534 8.986 18.668 1.00 0.00 H new ATOM 0 HG22 VAL A 907 0.893 9.656 17.842 1.00 0.00 H new ATOM 0 HG23 VAL A 907 0.237 10.467 19.284 1.00 0.00 H new ATOM 369 N TRP A 908 -0.952 13.158 15.066 1.00 0.00 N ATOM 370 CA TRP A 908 -1.825 13.976 14.249 1.00 0.00 C ATOM 371 C TRP A 908 -2.692 13.061 13.397 1.00 0.00 C ATOM 372 O TRP A 908 -2.193 12.401 12.490 1.00 0.00 O ATOM 373 CB TRP A 908 -0.976 14.883 13.351 1.00 0.00 C ATOM 374 CG TRP A 908 -1.677 16.119 12.868 1.00 0.00 C ATOM 375 CD1 TRP A 908 -3.008 16.272 12.611 1.00 0.00 C ATOM 376 CD2 TRP A 908 -1.064 17.378 12.570 1.00 0.00 C ATOM 377 NE1 TRP A 908 -3.260 17.553 12.183 1.00 0.00 N ATOM 378 CE2 TRP A 908 -2.084 18.250 12.148 1.00 0.00 C ATOM 379 CE3 TRP A 908 0.249 17.851 12.621 1.00 0.00 C ATOM 380 CZ2 TRP A 908 -1.833 19.568 11.783 1.00 0.00 C ATOM 381 CZ3 TRP A 908 0.498 19.161 12.260 1.00 0.00 C ATOM 382 CH2 TRP A 908 -0.538 20.006 11.845 1.00 0.00 C ATOM 0 H TRP A 908 -0.148 12.772 14.571 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.460 14.598 14.879 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.081 15.179 13.899 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.644 14.308 12.486 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -3.754 15.500 12.727 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -4.176 17.924 11.932 1.00 0.00 H new ATOM 0 HE3 TRP A 908 1.055 17.205 12.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 -2.631 20.222 11.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 1.509 19.539 12.299 1.00 0.00 H new ATOM 0 HH2 TRP A 908 -0.311 21.025 11.568 1.00 0.00 H new ATOM 393 N VAL A 909 -3.984 13.033 13.670 1.00 0.00 N ATOM 394 CA VAL A 909 -4.877 12.129 12.967 1.00 0.00 C ATOM 395 C VAL A 909 -5.878 12.898 12.117 1.00 0.00 C ATOM 396 O VAL A 909 -6.644 13.724 12.612 1.00 0.00 O ATOM 397 CB VAL A 909 -5.601 11.162 13.941 1.00 0.00 C ATOM 398 CG1 VAL A 909 -6.269 11.917 15.083 1.00 0.00 C ATOM 399 CG2 VAL A 909 -6.613 10.296 13.198 1.00 0.00 C ATOM 0 H VAL A 909 -4.437 13.622 14.369 1.00 0.00 H new ATOM 0 HA VAL A 909 -4.264 11.522 12.301 1.00 0.00 H new ATOM 0 HB VAL A 909 -4.846 10.507 14.375 1.00 0.00 H new ATOM 0 HG11 VAL A 909 -6.766 11.209 15.746 1.00 0.00 H new ATOM 0 HG12 VAL A 909 -5.515 12.470 15.643 1.00 0.00 H new ATOM 0 HG13 VAL A 909 -7.004 12.613 14.678 1.00 0.00 H new ATOM 0 HG21 VAL A 909 -7.107 9.627 13.903 1.00 0.00 H new ATOM 0 HG22 VAL A 909 -7.357 10.934 12.721 1.00 0.00 H new ATOM 0 HG23 VAL A 909 -6.099 9.707 12.438 1.00 0.00 H new ATOM 409 N GLN A 910 -5.809 12.666 10.824 1.00 0.00 N ATOM 410 CA GLN A 910 -6.724 13.279 9.881 1.00 0.00 C ATOM 411 C GLN A 910 -7.734 12.267 9.355 1.00 0.00 C ATOM 412 O GLN A 910 -7.429 11.082 9.220 1.00 0.00 O ATOM 413 CB GLN A 910 -5.974 13.956 8.726 1.00 0.00 C ATOM 414 CG GLN A 910 -4.765 13.197 8.189 1.00 0.00 C ATOM 415 CD GLN A 910 -3.529 13.319 9.071 1.00 0.00 C ATOM 416 OE1 GLN A 910 -2.664 12.446 9.074 1.00 0.00 O ATOM 417 NE2 GLN A 910 -3.450 14.393 9.844 1.00 0.00 N ATOM 0 H GLN A 910 -5.119 12.049 10.396 1.00 0.00 H new ATOM 0 HA GLN A 910 -7.272 14.054 10.418 1.00 0.00 H new ATOM 0 HB2 GLN A 910 -6.674 14.115 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 910 -5.644 14.940 9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 910 -5.025 12.143 8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 910 -4.528 13.567 7.192 1.00 0.00 H new ATOM 0 HE21 GLN A 910 -4.187 15.098 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 910 -2.652 14.515 10.468 1.00 0.00 H new ATOM 426 N PHE A 911 -8.933 12.741 9.058 1.00 0.00 N ATOM 427 CA PHE A 911 -9.992 11.882 8.552 1.00 0.00 C ATOM 428 C PHE A 911 -9.981 11.843 7.031 1.00 0.00 C ATOM 429 O PHE A 911 -9.230 12.572 6.379 1.00 0.00 O ATOM 430 CB PHE A 911 -11.363 12.379 9.015 1.00 0.00 C ATOM 431 CG PHE A 911 -11.544 12.403 10.502 1.00 0.00 C ATOM 432 CD1 PHE A 911 -11.331 11.264 11.258 1.00 0.00 C ATOM 433 CD2 PHE A 911 -11.939 13.566 11.142 1.00 0.00 C ATOM 434 CE1 PHE A 911 -11.508 11.285 12.626 1.00 0.00 C ATOM 435 CE2 PHE A 911 -12.121 13.592 12.510 1.00 0.00 C ATOM 436 CZ PHE A 911 -11.906 12.449 13.253 1.00 0.00 C ATOM 0 H PHE A 911 -9.198 13.721 9.159 1.00 0.00 H new ATOM 0 HA PHE A 911 -9.811 10.881 8.945 1.00 0.00 H new ATOM 0 HB2 PHE A 911 -11.522 13.385 8.626 1.00 0.00 H new ATOM 0 HB3 PHE A 911 -12.133 11.743 8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 911 -11.023 10.350 10.773 1.00 0.00 H new ATOM 0 HD2 PHE A 911 -12.107 14.463 10.564 1.00 0.00 H new ATOM 0 HE1 PHE A 911 -11.335 10.391 13.207 1.00 0.00 H new ATOM 0 HE2 PHE A 911 -12.431 14.504 12.998 1.00 0.00 H new ATOM 0 HZ PHE A 911 -12.049 12.465 14.323 1.00 0.00 H new ATOM 446 N ASN A 912 -10.846 11.005 6.478 1.00 0.00 N ATOM 447 CA ASN A 912 -11.067 10.940 5.037 1.00 0.00 C ATOM 448 C ASN A 912 -11.677 12.246 4.524 1.00 0.00 C ATOM 449 O ASN A 912 -11.649 12.529 3.326 1.00 0.00 O ATOM 450 CB ASN A 912 -11.995 9.765 4.693 1.00 0.00 C ATOM 451 CG ASN A 912 -13.390 9.919 5.286 1.00 0.00 C ATOM 452 OD1 ASN A 912 -13.567 10.519 6.347 1.00 0.00 O ATOM 453 ND2 ASN A 912 -14.390 9.375 4.609 1.00 0.00 N ATOM 0 H ASN A 912 -11.415 10.350 7.014 1.00 0.00 H new ATOM 0 HA ASN A 912 -10.103 10.789 4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -12.074 9.676 3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.551 8.839 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -15.344 9.446 4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -14.206 8.885 3.733 1.00 0.00 H new ATOM 460 N ASP A 913 -12.225 13.036 5.445 1.00 0.00 N ATOM 461 CA ASP A 913 -12.868 14.303 5.098 1.00 0.00 C ATOM 462 C ASP A 913 -11.833 15.421 4.925 1.00 0.00 C ATOM 463 O ASP A 913 -12.159 16.541 4.529 1.00 0.00 O ATOM 464 CB ASP A 913 -13.867 14.661 6.213 1.00 0.00 C ATOM 465 CG ASP A 913 -14.484 16.039 6.069 1.00 0.00 C ATOM 466 OD1 ASP A 913 -15.423 16.195 5.258 1.00 0.00 O ATOM 467 OD2 ASP A 913 -14.044 16.971 6.775 1.00 0.00 O ATOM 0 H ASP A 913 -12.237 12.820 6.442 1.00 0.00 H new ATOM 0 HA ASP A 913 -13.390 14.196 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 913 -14.664 13.917 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 913 -13.359 14.600 7.175 1.00 0.00 H new ATOM 472 N GLY A 914 -10.573 15.092 5.158 1.00 0.00 N ATOM 473 CA GLY A 914 -9.510 16.067 4.995 1.00 0.00 C ATOM 474 C GLY A 914 -9.351 16.960 6.211 1.00 0.00 C ATOM 475 O GLY A 914 -8.531 17.879 6.215 1.00 0.00 O ATOM 0 H GLY A 914 -10.264 14.167 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -8.571 15.548 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -9.717 16.683 4.120 1.00 0.00 H new ATOM 479 N SER A 915 -10.123 16.680 7.253 1.00 0.00 N ATOM 480 CA SER A 915 -10.024 17.425 8.497 1.00 0.00 C ATOM 481 C SER A 915 -9.112 16.673 9.459 1.00 0.00 C ATOM 482 O SER A 915 -9.004 15.450 9.382 1.00 0.00 O ATOM 483 CB SER A 915 -11.415 17.632 9.104 1.00 0.00 C ATOM 484 OG SER A 915 -12.247 18.382 8.226 1.00 0.00 O ATOM 0 H SER A 915 -10.825 15.940 7.259 1.00 0.00 H new ATOM 0 HA SER A 915 -9.597 18.409 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 915 -11.874 16.665 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 915 -11.326 18.151 10.058 1.00 0.00 H new ATOM 0 HG SER A 915 -12.821 17.771 7.718 1.00 0.00 H new ATOM 490 N GLN A 916 -8.460 17.394 10.359 1.00 0.00 N ATOM 491 CA GLN A 916 -7.416 16.805 11.188 1.00 0.00 C ATOM 492 C GLN A 916 -7.607 17.166 12.658 1.00 0.00 C ATOM 493 O GLN A 916 -8.218 18.179 12.980 1.00 0.00 O ATOM 494 CB GLN A 916 -6.049 17.318 10.721 1.00 0.00 C ATOM 495 CG GLN A 916 -5.825 17.218 9.219 1.00 0.00 C ATOM 496 CD GLN A 916 -4.602 17.988 8.761 1.00 0.00 C ATOM 497 OE1 GLN A 916 -4.694 19.169 8.437 1.00 0.00 O ATOM 498 NE2 GLN A 916 -3.455 17.328 8.714 1.00 0.00 N ATOM 0 H GLN A 916 -8.633 18.384 10.534 1.00 0.00 H new ATOM 0 HA GLN A 916 -7.472 15.721 11.088 1.00 0.00 H new ATOM 0 HB2 GLN A 916 -5.941 18.359 11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 916 -5.268 16.755 11.232 1.00 0.00 H new ATOM 0 HG2 GLN A 916 -5.716 16.170 8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 916 -6.704 17.596 8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 916 -3.419 16.347 8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 916 -2.607 17.800 8.400 1.00 0.00 H new ATOM 507 N LEU A 917 -7.088 16.332 13.544 1.00 0.00 N ATOM 508 CA LEU A 917 -7.011 16.666 14.962 1.00 0.00 C ATOM 509 C LEU A 917 -5.663 16.239 15.525 1.00 0.00 C ATOM 510 O LEU A 917 -5.151 15.167 15.198 1.00 0.00 O ATOM 511 CB LEU A 917 -8.154 16.033 15.777 1.00 0.00 C ATOM 512 CG LEU A 917 -8.344 14.522 15.615 1.00 0.00 C ATOM 513 CD1 LEU A 917 -9.014 13.927 16.844 1.00 0.00 C ATOM 514 CD2 LEU A 917 -9.180 14.222 14.386 1.00 0.00 C ATOM 0 H LEU A 917 -6.711 15.414 13.308 1.00 0.00 H new ATOM 0 HA LEU A 917 -7.118 17.747 15.048 1.00 0.00 H new ATOM 0 HB2 LEU A 917 -7.981 16.245 16.832 1.00 0.00 H new ATOM 0 HB3 LEU A 917 -9.086 16.527 15.501 1.00 0.00 H new ATOM 0 HG LEU A 917 -7.359 14.071 15.498 1.00 0.00 H new ATOM 0 HD11 LEU A 917 -9.139 12.853 16.706 1.00 0.00 H new ATOM 0 HD12 LEU A 917 -8.394 14.111 17.721 1.00 0.00 H new ATOM 0 HD13 LEU A 917 -9.990 14.390 16.986 1.00 0.00 H new ATOM 0 HD21 LEU A 917 -9.305 13.144 14.286 1.00 0.00 H new ATOM 0 HD22 LEU A 917 -10.158 14.693 14.487 1.00 0.00 H new ATOM 0 HD23 LEU A 917 -8.679 14.613 13.501 1.00 0.00 H new ATOM 526 N VAL A 918 -5.082 17.093 16.349 1.00 0.00 N ATOM 527 CA VAL A 918 -3.795 16.811 16.961 1.00 0.00 C ATOM 528 C VAL A 918 -3.986 16.422 18.418 1.00 0.00 C ATOM 529 O VAL A 918 -4.587 17.172 19.194 1.00 0.00 O ATOM 530 CB VAL A 918 -2.851 18.033 16.901 1.00 0.00 C ATOM 531 CG1 VAL A 918 -1.438 17.645 17.313 1.00 0.00 C ATOM 532 CG2 VAL A 918 -2.860 18.665 15.519 1.00 0.00 C ATOM 0 H VAL A 918 -5.484 17.993 16.611 1.00 0.00 H new ATOM 0 HA VAL A 918 -3.345 15.992 16.401 1.00 0.00 H new ATOM 0 HB VAL A 918 -3.219 18.776 17.609 1.00 0.00 H new ATOM 0 HG11 VAL A 918 -0.791 18.521 17.263 1.00 0.00 H new ATOM 0 HG12 VAL A 918 -1.449 17.260 18.333 1.00 0.00 H new ATOM 0 HG13 VAL A 918 -1.061 16.876 16.639 1.00 0.00 H new ATOM 0 HG21 VAL A 918 -2.187 19.522 15.507 1.00 0.00 H new ATOM 0 HG22 VAL A 918 -2.529 17.933 14.782 1.00 0.00 H new ATOM 0 HG23 VAL A 918 -3.870 18.994 15.276 1.00 0.00 H new ATOM 542 N VAL A 919 -3.494 15.244 18.775 1.00 0.00 N ATOM 543 CA VAL A 919 -3.536 14.779 20.151 1.00 0.00 C ATOM 544 C VAL A 919 -2.123 14.575 20.668 1.00 0.00 C ATOM 545 O VAL A 919 -1.314 13.916 20.019 1.00 0.00 O ATOM 546 CB VAL A 919 -4.292 13.438 20.268 1.00 0.00 C ATOM 547 CG1 VAL A 919 -4.421 13.014 21.725 1.00 0.00 C ATOM 548 CG2 VAL A 919 -5.658 13.533 19.614 1.00 0.00 C ATOM 0 H VAL A 919 -3.059 14.590 18.124 1.00 0.00 H new ATOM 0 HA VAL A 919 -4.056 15.535 20.739 1.00 0.00 H new ATOM 0 HB VAL A 919 -3.715 12.677 19.743 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -4.957 12.067 21.782 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -3.428 12.896 22.159 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.970 13.776 22.278 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -6.174 12.577 19.708 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -6.243 14.311 20.105 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -5.540 13.779 18.559 1.00 0.00 H new ATOM 558 N GLN A 920 -1.818 15.125 21.825 1.00 0.00 N ATOM 559 CA GLN A 920 -0.535 14.864 22.442 1.00 0.00 C ATOM 560 C GLN A 920 -0.677 13.716 23.425 1.00 0.00 C ATOM 561 O GLN A 920 -1.675 13.630 24.142 1.00 0.00 O ATOM 562 CB GLN A 920 0.000 16.107 23.148 1.00 0.00 C ATOM 563 CG GLN A 920 1.445 15.965 23.594 1.00 0.00 C ATOM 564 CD GLN A 920 1.967 17.201 24.294 1.00 0.00 C ATOM 565 OE1 GLN A 920 1.525 18.317 24.027 1.00 0.00 O ATOM 566 NE2 GLN A 920 2.917 17.009 25.190 1.00 0.00 N ATOM 0 H GLN A 920 -2.432 15.747 22.351 1.00 0.00 H new ATOM 0 HA GLN A 920 0.180 14.593 21.665 1.00 0.00 H new ATOM 0 HB2 GLN A 920 -0.084 16.963 22.478 1.00 0.00 H new ATOM 0 HB3 GLN A 920 -0.623 16.320 24.017 1.00 0.00 H new ATOM 0 HG2 GLN A 920 1.531 15.110 24.264 1.00 0.00 H new ATOM 0 HG3 GLN A 920 2.069 15.754 22.726 1.00 0.00 H new ATOM 0 HE21 GLN A 920 3.255 16.066 25.381 1.00 0.00 H new ATOM 0 HE22 GLN A 920 3.313 17.804 25.691 1.00 0.00 H new ATOM 575 N ALA A 921 0.309 12.834 23.455 1.00 0.00 N ATOM 576 CA ALA A 921 0.291 11.716 24.385 1.00 0.00 C ATOM 577 C ALA A 921 0.231 12.215 25.826 1.00 0.00 C ATOM 578 O ALA A 921 1.039 13.048 26.241 1.00 0.00 O ATOM 579 CB ALA A 921 1.516 10.840 24.174 1.00 0.00 C ATOM 0 H ALA A 921 1.129 12.870 22.849 1.00 0.00 H new ATOM 0 HA ALA A 921 -0.602 11.120 24.195 1.00 0.00 H new ATOM 0 HB1 ALA A 921 1.492 10.006 24.876 1.00 0.00 H new ATOM 0 HB2 ALA A 921 1.517 10.456 23.154 1.00 0.00 H new ATOM 0 HB3 ALA A 921 2.418 11.429 24.341 1.00 0.00 H new ATOM 585 N GLY A 922 -0.734 11.705 26.580 1.00 0.00 N ATOM 586 CA GLY A 922 -0.875 12.090 27.971 1.00 0.00 C ATOM 587 C GLY A 922 -1.768 13.306 28.153 1.00 0.00 C ATOM 588 O GLY A 922 -2.082 13.689 29.278 1.00 0.00 O ATOM 0 H GLY A 922 -1.424 11.029 26.252 1.00 0.00 H new ATOM 0 HA2 GLY A 922 -1.287 11.254 28.536 1.00 0.00 H new ATOM 0 HA3 GLY A 922 0.110 12.302 28.387 1.00 0.00 H new ATOM 592 N VAL A 923 -2.187 13.906 27.047 1.00 0.00 N ATOM 593 CA VAL A 923 -3.001 15.112 27.094 1.00 0.00 C ATOM 594 C VAL A 923 -4.381 14.848 26.504 1.00 0.00 C ATOM 595 O VAL A 923 -4.498 14.283 25.418 1.00 0.00 O ATOM 596 CB VAL A 923 -2.333 16.272 26.321 1.00 0.00 C ATOM 597 CG1 VAL A 923 -3.112 17.566 26.500 1.00 0.00 C ATOM 598 CG2 VAL A 923 -0.892 16.455 26.766 1.00 0.00 C ATOM 0 H VAL A 923 -1.976 13.576 26.105 1.00 0.00 H new ATOM 0 HA VAL A 923 -3.099 15.398 28.141 1.00 0.00 H new ATOM 0 HB VAL A 923 -2.338 16.015 25.262 1.00 0.00 H new ATOM 0 HG11 VAL A 923 -2.621 18.366 25.946 1.00 0.00 H new ATOM 0 HG12 VAL A 923 -4.127 17.435 26.124 1.00 0.00 H new ATOM 0 HG13 VAL A 923 -3.147 17.826 27.558 1.00 0.00 H new ATOM 0 HG21 VAL A 923 -0.441 17.276 26.209 1.00 0.00 H new ATOM 0 HG22 VAL A 923 -0.866 16.682 27.832 1.00 0.00 H new ATOM 0 HG23 VAL A 923 -0.333 15.538 26.577 1.00 0.00 H new ATOM 608 N SER A 924 -5.421 15.252 27.224 1.00 0.00 N ATOM 609 CA SER A 924 -6.791 15.070 26.758 1.00 0.00 C ATOM 610 C SER A 924 -7.252 16.291 25.965 1.00 0.00 C ATOM 611 O SER A 924 -8.307 16.272 25.327 1.00 0.00 O ATOM 612 CB SER A 924 -7.733 14.816 27.944 1.00 0.00 C ATOM 613 OG SER A 924 -9.058 14.572 27.500 1.00 0.00 O ATOM 0 H SER A 924 -5.342 15.708 28.133 1.00 0.00 H new ATOM 0 HA SER A 924 -6.819 14.200 26.102 1.00 0.00 H new ATOM 0 HB2 SER A 924 -7.376 13.962 28.520 1.00 0.00 H new ATOM 0 HB3 SER A 924 -7.723 15.677 28.612 1.00 0.00 H new ATOM 0 HG SER A 924 -9.166 14.916 26.589 1.00 0.00 H new ATOM 619 N SER A 925 -6.457 17.349 26.017 1.00 0.00 N ATOM 620 CA SER A 925 -6.751 18.566 25.282 1.00 0.00 C ATOM 621 C SER A 925 -6.276 18.424 23.840 1.00 0.00 C ATOM 622 O SER A 925 -5.075 18.362 23.574 1.00 0.00 O ATOM 623 CB SER A 925 -6.068 19.757 25.955 1.00 0.00 C ATOM 624 OG SER A 925 -6.336 19.769 27.349 1.00 0.00 O ATOM 0 H SER A 925 -5.598 17.387 26.565 1.00 0.00 H new ATOM 0 HA SER A 925 -7.828 18.737 25.281 1.00 0.00 H new ATOM 0 HB2 SER A 925 -4.992 19.708 25.787 1.00 0.00 H new ATOM 0 HB3 SER A 925 -6.419 20.686 25.504 1.00 0.00 H new ATOM 0 HG SER A 925 -5.889 20.537 27.761 1.00 0.00 H new ATOM 630 N ILE A 926 -7.219 18.362 22.914 1.00 0.00 N ATOM 631 CA ILE A 926 -6.893 18.108 21.522 1.00 0.00 C ATOM 632 C ILE A 926 -7.198 19.325 20.662 1.00 0.00 C ATOM 633 O ILE A 926 -8.031 20.160 21.017 1.00 0.00 O ATOM 634 CB ILE A 926 -7.660 16.888 20.974 1.00 0.00 C ATOM 635 CG1 ILE A 926 -9.167 17.150 20.983 1.00 0.00 C ATOM 636 CG2 ILE A 926 -7.326 15.655 21.798 1.00 0.00 C ATOM 637 CD1 ILE A 926 -9.981 16.038 20.358 1.00 0.00 C ATOM 0 H ILE A 926 -8.214 18.484 23.101 1.00 0.00 H new ATOM 0 HA ILE A 926 -5.825 17.895 21.478 1.00 0.00 H new ATOM 0 HB ILE A 926 -7.354 16.715 19.942 1.00 0.00 H new ATOM 0 HG12 ILE A 926 -9.496 17.295 22.012 1.00 0.00 H new ATOM 0 HG13 ILE A 926 -9.369 18.079 20.450 1.00 0.00 H new ATOM 0 HG21 ILE A 926 -7.871 14.797 21.406 1.00 0.00 H new ATOM 0 HG22 ILE A 926 -6.255 15.460 21.744 1.00 0.00 H new ATOM 0 HG23 ILE A 926 -7.612 15.823 22.836 1.00 0.00 H new ATOM 0 HD11 ILE A 926 -11.040 16.294 20.400 1.00 0.00 H new ATOM 0 HD12 ILE A 926 -9.681 15.907 19.318 1.00 0.00 H new ATOM 0 HD13 ILE A 926 -9.810 15.110 20.904 1.00 0.00 H new ATOM 649 N SER A 927 -6.518 19.431 19.536 1.00 0.00 N ATOM 650 CA SER A 927 -6.727 20.552 18.638 1.00 0.00 C ATOM 651 C SER A 927 -7.249 20.053 17.301 1.00 0.00 C ATOM 652 O SER A 927 -6.560 19.318 16.601 1.00 0.00 O ATOM 653 CB SER A 927 -5.419 21.318 18.448 1.00 0.00 C ATOM 654 OG SER A 927 -4.832 21.626 19.701 1.00 0.00 O ATOM 0 H SER A 927 -5.819 18.758 19.222 1.00 0.00 H new ATOM 0 HA SER A 927 -7.466 21.226 19.072 1.00 0.00 H new ATOM 0 HB2 SER A 927 -4.726 20.723 17.853 1.00 0.00 H new ATOM 0 HB3 SER A 927 -5.607 22.237 17.893 1.00 0.00 H new ATOM 0 HG SER A 927 -3.995 22.115 19.559 1.00 0.00 H new ATOM 660 N TYR A 928 -8.461 20.444 16.947 1.00 0.00 N ATOM 661 CA TYR A 928 -9.054 20.000 15.700 1.00 0.00 C ATOM 662 C TYR A 928 -8.932 21.106 14.666 1.00 0.00 C ATOM 663 O TYR A 928 -9.368 22.230 14.896 1.00 0.00 O ATOM 664 CB TYR A 928 -10.527 19.648 15.937 1.00 0.00 C ATOM 665 CG TYR A 928 -11.215 18.951 14.783 1.00 0.00 C ATOM 666 CD1 TYR A 928 -11.769 19.673 13.733 1.00 0.00 C ATOM 667 CD2 TYR A 928 -11.326 17.568 14.757 1.00 0.00 C ATOM 668 CE1 TYR A 928 -12.413 19.036 12.691 1.00 0.00 C ATOM 669 CE2 TYR A 928 -11.972 16.922 13.720 1.00 0.00 C ATOM 670 CZ TYR A 928 -12.511 17.661 12.689 1.00 0.00 C ATOM 671 OH TYR A 928 -13.159 17.023 11.654 1.00 0.00 O ATOM 0 H TYR A 928 -9.050 21.064 17.503 1.00 0.00 H new ATOM 0 HA TYR A 928 -8.535 19.115 15.333 1.00 0.00 H new ATOM 0 HB2 TYR A 928 -10.595 19.010 16.818 1.00 0.00 H new ATOM 0 HB3 TYR A 928 -11.071 20.565 16.164 1.00 0.00 H new ATOM 0 HD1 TYR A 928 -11.695 20.750 13.732 1.00 0.00 H new ATOM 0 HD2 TYR A 928 -10.900 16.986 15.561 1.00 0.00 H new ATOM 0 HE1 TYR A 928 -12.838 19.612 11.882 1.00 0.00 H new ATOM 0 HE2 TYR A 928 -12.054 15.845 13.718 1.00 0.00 H new ATOM 0 HH TYR A 928 -12.804 16.115 11.556 1.00 0.00 H new ATOM 681 N THR A 929 -8.338 20.789 13.536 1.00 0.00 N ATOM 682 CA THR A 929 -8.196 21.748 12.463 1.00 0.00 C ATOM 683 C THR A 929 -8.974 21.280 11.237 1.00 0.00 C ATOM 684 O THR A 929 -8.846 20.131 10.801 1.00 0.00 O ATOM 685 CB THR A 929 -6.707 22.014 12.120 1.00 0.00 C ATOM 686 OG1 THR A 929 -6.600 23.078 11.167 1.00 0.00 O ATOM 687 CG2 THR A 929 -6.018 20.773 11.573 1.00 0.00 C ATOM 0 H THR A 929 -7.944 19.870 13.336 1.00 0.00 H new ATOM 0 HA THR A 929 -8.614 22.697 12.799 1.00 0.00 H new ATOM 0 HB THR A 929 -6.208 22.296 13.047 1.00 0.00 H new ATOM 0 HG1 THR A 929 -6.565 23.937 11.638 1.00 0.00 H new ATOM 0 HG21 THR A 929 -4.977 21.005 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 929 -6.059 19.977 12.316 1.00 0.00 H new ATOM 0 HG23 THR A 929 -6.523 20.447 10.664 1.00 0.00 H new ATOM 695 N SER A 930 -9.808 22.148 10.706 1.00 0.00 N ATOM 696 CA SER A 930 -10.561 21.825 9.513 1.00 0.00 C ATOM 697 C SER A 930 -10.472 22.968 8.518 1.00 0.00 C ATOM 698 O SER A 930 -10.869 24.094 8.826 1.00 0.00 O ATOM 699 CB SER A 930 -12.023 21.535 9.861 1.00 0.00 C ATOM 700 OG SER A 930 -12.750 21.120 8.716 1.00 0.00 O ATOM 0 H SER A 930 -9.982 23.081 11.080 1.00 0.00 H new ATOM 0 HA SER A 930 -10.133 20.930 9.062 1.00 0.00 H new ATOM 0 HB2 SER A 930 -12.071 20.760 10.626 1.00 0.00 H new ATOM 0 HB3 SER A 930 -12.483 22.428 10.283 1.00 0.00 H new ATOM 0 HG SER A 930 -12.588 20.167 8.553 1.00 0.00 H new ATOM 706 N PRO A 931 -9.947 22.691 7.309 1.00 0.00 N ATOM 707 CA PRO A 931 -9.823 23.691 6.241 1.00 0.00 C ATOM 708 C PRO A 931 -11.182 24.215 5.799 1.00 0.00 C ATOM 709 O PRO A 931 -11.280 25.223 5.098 1.00 0.00 O ATOM 710 CB PRO A 931 -9.143 22.926 5.099 1.00 0.00 C ATOM 711 CG PRO A 931 -9.382 21.486 5.397 1.00 0.00 C ATOM 712 CD PRO A 931 -9.425 21.377 6.893 1.00 0.00 C ATOM 0 HA PRO A 931 -9.263 24.568 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 931 -9.565 23.204 4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 931 -8.077 23.148 5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 931 -10.318 21.145 4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 931 -8.588 20.864 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 931 -10.073 20.564 7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 931 -8.437 21.185 7.312 1.00 0.00 H new ATOM 720 N ASN A 932 -12.227 23.521 6.228 1.00 0.00 N ATOM 721 CA ASN A 932 -13.593 23.927 5.945 1.00 0.00 C ATOM 722 C ASN A 932 -13.992 25.086 6.848 1.00 0.00 C ATOM 723 O ASN A 932 -14.979 25.770 6.592 1.00 0.00 O ATOM 724 CB ASN A 932 -14.557 22.753 6.154 1.00 0.00 C ATOM 725 CG ASN A 932 -14.309 21.612 5.184 1.00 0.00 C ATOM 726 OD1 ASN A 932 -13.898 21.830 4.044 1.00 0.00 O ATOM 727 ND2 ASN A 932 -14.550 20.388 5.628 1.00 0.00 N ATOM 0 H ASN A 932 -12.151 22.666 6.779 1.00 0.00 H new ATOM 0 HA ASN A 932 -13.649 24.247 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 932 -14.458 22.384 7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 932 -15.582 23.105 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 932 -14.396 19.585 5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 932 -14.890 20.248 6.579 1.00 0.00 H new ATOM 734 N GLY A 933 -13.220 25.302 7.905 1.00 0.00 N ATOM 735 CA GLY A 933 -13.529 26.360 8.839 1.00 0.00 C ATOM 736 C GLY A 933 -12.286 27.028 9.389 1.00 0.00 C ATOM 737 O GLY A 933 -11.996 28.178 9.047 1.00 0.00 O ATOM 0 H GLY A 933 -12.385 24.761 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 933 -14.151 27.107 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 933 -14.114 25.953 9.664 1.00 0.00 H new ATOM 741 N GLN A 934 -11.534 26.281 10.196 1.00 0.00 N ATOM 742 CA GLN A 934 -10.376 26.797 10.929 1.00 0.00 C ATOM 743 C GLN A 934 -9.979 25.775 12.000 1.00 0.00 C ATOM 744 O GLN A 934 -10.407 24.621 11.940 1.00 0.00 O ATOM 745 CB GLN A 934 -10.691 28.151 11.587 1.00 0.00 C ATOM 746 CG GLN A 934 -9.455 28.998 11.861 1.00 0.00 C ATOM 747 CD GLN A 934 -8.700 29.360 10.597 1.00 0.00 C ATOM 748 OE1 GLN A 934 -7.821 28.624 10.146 1.00 0.00 O ATOM 749 NE2 GLN A 934 -9.028 30.506 10.028 1.00 0.00 N ATOM 0 H GLN A 934 -11.712 25.290 10.362 1.00 0.00 H new ATOM 0 HA GLN A 934 -9.554 26.952 10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 934 -11.369 28.710 10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 934 -11.217 27.976 12.526 1.00 0.00 H new ATOM 0 HG2 GLN A 934 -9.753 29.912 12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 934 -8.790 28.456 12.533 1.00 0.00 H new ATOM 0 HE21 GLN A 934 -9.762 31.086 10.435 1.00 0.00 H new ATOM 0 HE22 GLN A 934 -8.547 30.811 9.182 1.00 0.00 H new ATOM 758 N THR A 935 -9.169 26.187 12.967 1.00 0.00 N ATOM 759 CA THR A 935 -8.761 25.300 14.045 1.00 0.00 C ATOM 760 C THR A 935 -9.526 25.614 15.333 1.00 0.00 C ATOM 761 O THR A 935 -9.574 26.762 15.783 1.00 0.00 O ATOM 762 CB THR A 935 -7.246 25.419 14.304 1.00 0.00 C ATOM 763 OG1 THR A 935 -6.532 25.312 13.063 1.00 0.00 O ATOM 764 CG2 THR A 935 -6.763 24.340 15.263 1.00 0.00 C ATOM 0 H THR A 935 -8.783 27.129 13.026 1.00 0.00 H new ATOM 0 HA THR A 935 -8.992 24.280 13.738 1.00 0.00 H new ATOM 0 HB THR A 935 -7.056 26.391 14.759 1.00 0.00 H new ATOM 0 HG1 THR A 935 -5.570 25.390 13.231 1.00 0.00 H new ATOM 0 HG21 THR A 935 -5.691 24.451 15.425 1.00 0.00 H new ATOM 0 HG22 THR A 935 -7.286 24.438 16.214 1.00 0.00 H new ATOM 0 HG23 THR A 935 -6.966 23.357 14.837 1.00 0.00 H new ATOM 772 N THR A 936 -10.135 24.587 15.901 1.00 0.00 N ATOM 773 CA THR A 936 -10.856 24.693 17.159 1.00 0.00 C ATOM 774 C THR A 936 -10.225 23.775 18.211 1.00 0.00 C ATOM 775 O THR A 936 -9.757 22.685 17.886 1.00 0.00 O ATOM 776 CB THR A 936 -12.354 24.349 16.977 1.00 0.00 C ATOM 777 OG1 THR A 936 -13.038 24.437 18.231 1.00 0.00 O ATOM 778 CG2 THR A 936 -12.541 22.957 16.390 1.00 0.00 C ATOM 0 H THR A 936 -10.143 23.649 15.500 1.00 0.00 H new ATOM 0 HA THR A 936 -10.787 25.726 17.501 1.00 0.00 H new ATOM 0 HB THR A 936 -12.775 25.073 16.279 1.00 0.00 H new ATOM 0 HG1 THR A 936 -13.985 24.219 18.103 1.00 0.00 H new ATOM 0 HG21 THR A 936 -13.605 22.750 16.276 1.00 0.00 H new ATOM 0 HG22 THR A 936 -12.055 22.905 15.416 1.00 0.00 H new ATOM 0 HG23 THR A 936 -12.097 22.218 17.057 1.00 0.00 H new ATOM 786 N ARG A 937 -10.187 24.208 19.466 1.00 0.00 N ATOM 787 CA ARG A 937 -9.630 23.366 20.514 1.00 0.00 C ATOM 788 C ARG A 937 -10.747 22.640 21.256 1.00 0.00 C ATOM 789 O ARG A 937 -11.788 23.227 21.568 1.00 0.00 O ATOM 790 CB ARG A 937 -8.793 24.175 21.517 1.00 0.00 C ATOM 791 CG ARG A 937 -9.618 24.841 22.607 1.00 0.00 C ATOM 792 CD ARG A 937 -8.783 25.154 23.835 1.00 0.00 C ATOM 793 NE ARG A 937 -9.612 25.312 25.030 1.00 0.00 N ATOM 794 CZ ARG A 937 -9.178 25.827 26.178 1.00 0.00 C ATOM 795 NH1 ARG A 937 -7.916 26.217 26.304 1.00 0.00 N ATOM 796 NH2 ARG A 937 -10.012 25.934 27.204 1.00 0.00 N ATOM 0 H ARG A 937 -10.528 25.118 19.777 1.00 0.00 H new ATOM 0 HA ARG A 937 -8.973 22.642 20.032 1.00 0.00 H new ATOM 0 HB2 ARG A 937 -8.060 23.515 21.981 1.00 0.00 H new ATOM 0 HB3 ARG A 937 -8.236 24.940 20.977 1.00 0.00 H new ATOM 0 HG2 ARG A 937 -10.055 25.762 22.220 1.00 0.00 H new ATOM 0 HG3 ARG A 937 -10.445 24.188 22.887 1.00 0.00 H new ATOM 0 HD2 ARG A 937 -8.061 24.354 23.997 1.00 0.00 H new ATOM 0 HD3 ARG A 937 -8.214 26.068 23.664 1.00 0.00 H new ATOM 0 HE ARG A 937 -10.584 25.008 24.980 1.00 0.00 H new ATOM 0 HH11 ARG A 937 -7.272 26.123 25.518 1.00 0.00 H new ATOM 0 HH12 ARG A 937 -7.590 26.611 27.186 1.00 0.00 H new ATOM 0 HH21 ARG A 937 -10.979 25.623 27.110 1.00 0.00 H new ATOM 0 HH22 ARG A 937 -9.687 26.328 28.087 1.00 0.00 H new ATOM 810 N TYR A 938 -10.548 21.359 21.493 1.00 0.00 N ATOM 811 CA TYR A 938 -11.433 20.605 22.355 1.00 0.00 C ATOM 812 C TYR A 938 -10.697 20.240 23.634 1.00 0.00 C ATOM 813 O TYR A 938 -9.607 19.668 23.590 1.00 0.00 O ATOM 814 CB TYR A 938 -11.951 19.355 21.644 1.00 0.00 C ATOM 815 CG TYR A 938 -12.948 19.657 20.546 1.00 0.00 C ATOM 816 CD1 TYR A 938 -14.277 19.920 20.850 1.00 0.00 C ATOM 817 CD2 TYR A 938 -12.564 19.683 19.212 1.00 0.00 C ATOM 818 CE1 TYR A 938 -15.194 20.202 19.858 1.00 0.00 C ATOM 819 CE2 TYR A 938 -13.476 19.963 18.212 1.00 0.00 C ATOM 820 CZ TYR A 938 -14.790 20.223 18.540 1.00 0.00 C ATOM 821 OH TYR A 938 -15.704 20.510 17.551 1.00 0.00 O ATOM 0 H TYR A 938 -9.778 20.818 21.099 1.00 0.00 H new ATOM 0 HA TYR A 938 -12.298 21.219 22.606 1.00 0.00 H new ATOM 0 HB2 TYR A 938 -11.107 18.812 21.219 1.00 0.00 H new ATOM 0 HB3 TYR A 938 -12.417 18.696 22.377 1.00 0.00 H new ATOM 0 HD1 TYR A 938 -14.599 19.904 21.881 1.00 0.00 H new ATOM 0 HD2 TYR A 938 -11.536 19.481 18.951 1.00 0.00 H new ATOM 0 HE1 TYR A 938 -16.224 20.405 20.113 1.00 0.00 H new ATOM 0 HE2 TYR A 938 -13.161 19.978 17.179 1.00 0.00 H new ATOM 0 HH TYR A 938 -15.260 20.486 16.678 1.00 0.00 H new ATOM 831 N GLY A 939 -11.286 20.570 24.766 1.00 0.00 N ATOM 832 CA GLY A 939 -10.633 20.322 26.029 1.00 0.00 C ATOM 833 C GLY A 939 -11.614 19.976 27.120 1.00 0.00 C ATOM 834 O GLY A 939 -12.802 19.787 26.858 1.00 0.00 O ATOM 0 H GLY A 939 -12.206 21.006 24.835 1.00 0.00 H new ATOM 0 HA2 GLY A 939 -9.919 19.506 25.913 1.00 0.00 H new ATOM 0 HA3 GLY A 939 -10.064 21.205 26.321 1.00 0.00 H new ATOM 838 N GLU A 940 -11.120 19.921 28.345 1.00 0.00 N ATOM 839 CA GLU A 940 -11.931 19.553 29.496 1.00 0.00 C ATOM 840 C GLU A 940 -13.010 20.605 29.760 1.00 0.00 C ATOM 841 O GLU A 940 -14.089 20.290 30.266 1.00 0.00 O ATOM 842 CB GLU A 940 -11.012 19.367 30.715 1.00 0.00 C ATOM 843 CG GLU A 940 -11.723 19.062 32.026 1.00 0.00 C ATOM 844 CD GLU A 940 -12.030 20.312 32.832 1.00 0.00 C ATOM 845 OE1 GLU A 940 -11.076 20.987 33.272 1.00 0.00 O ATOM 846 OE2 GLU A 940 -13.224 20.627 33.026 1.00 0.00 O ATOM 0 H GLU A 940 -10.147 20.130 28.571 1.00 0.00 H new ATOM 0 HA GLU A 940 -12.446 18.614 29.296 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -10.314 18.557 30.503 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -10.420 20.273 30.844 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -12.653 18.533 31.816 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -11.104 18.393 32.623 1.00 0.00 H new ATOM 853 N ASN A 941 -12.739 21.843 29.368 1.00 0.00 N ATOM 854 CA ASN A 941 -13.675 22.937 29.605 1.00 0.00 C ATOM 855 C ASN A 941 -14.612 23.109 28.418 1.00 0.00 C ATOM 856 O ASN A 941 -15.481 23.983 28.414 1.00 0.00 O ATOM 857 CB ASN A 941 -12.922 24.247 29.862 1.00 0.00 C ATOM 858 CG ASN A 941 -11.883 24.118 30.957 1.00 0.00 C ATOM 859 OD1 ASN A 941 -10.707 23.860 30.688 1.00 0.00 O ATOM 860 ND2 ASN A 941 -12.307 24.280 32.198 1.00 0.00 N ATOM 0 H ASN A 941 -11.882 22.115 28.886 1.00 0.00 H new ATOM 0 HA ASN A 941 -14.264 22.689 30.488 1.00 0.00 H new ATOM 0 HB2 ASN A 941 -12.436 24.569 28.941 1.00 0.00 H new ATOM 0 HB3 ASN A 941 -13.636 25.025 30.134 1.00 0.00 H new ATOM 0 HD21 ASN A 941 -11.653 24.192 32.976 1.00 0.00 H new ATOM 0 HD22 ASN A 941 -13.288 24.493 32.378 1.00 0.00 H new ATOM 867 N GLU A 942 -14.444 22.251 27.424 1.00 0.00 N ATOM 868 CA GLU A 942 -15.276 22.275 26.231 1.00 0.00 C ATOM 869 C GLU A 942 -16.217 21.081 26.239 1.00 0.00 C ATOM 870 O GLU A 942 -16.138 20.229 27.125 1.00 0.00 O ATOM 871 CB GLU A 942 -14.407 22.249 24.967 1.00 0.00 C ATOM 872 CG GLU A 942 -13.941 23.619 24.487 1.00 0.00 C ATOM 873 CD GLU A 942 -13.236 24.435 25.554 1.00 0.00 C ATOM 874 OE1 GLU A 942 -12.049 24.172 25.831 1.00 0.00 O ATOM 875 OE2 GLU A 942 -13.864 25.372 26.096 1.00 0.00 O ATOM 0 H GLU A 942 -13.731 21.522 27.421 1.00 0.00 H new ATOM 0 HA GLU A 942 -15.860 23.195 26.229 1.00 0.00 H new ATOM 0 HB2 GLU A 942 -13.531 21.628 25.157 1.00 0.00 H new ATOM 0 HB3 GLU A 942 -14.969 21.770 24.165 1.00 0.00 H new ATOM 0 HG2 GLU A 942 -13.268 23.487 23.640 1.00 0.00 H new ATOM 0 HG3 GLU A 942 -14.803 24.179 24.125 1.00 0.00 H new ATOM 882 N LYS A 943 -17.118 21.022 25.274 1.00 0.00 N ATOM 883 CA LYS A 943 -18.005 19.880 25.148 1.00 0.00 C ATOM 884 C LYS A 943 -17.483 18.928 24.083 1.00 0.00 C ATOM 885 O LYS A 943 -17.237 19.329 22.944 1.00 0.00 O ATOM 886 CB LYS A 943 -19.435 20.322 24.817 1.00 0.00 C ATOM 887 CG LYS A 943 -19.567 21.092 23.512 1.00 0.00 C ATOM 888 CD LYS A 943 -21.025 21.345 23.161 1.00 0.00 C ATOM 889 CE LYS A 943 -21.714 22.230 24.189 1.00 0.00 C ATOM 890 NZ LYS A 943 -21.142 23.604 24.218 1.00 0.00 N ATOM 0 H LYS A 943 -17.254 21.747 24.570 1.00 0.00 H new ATOM 0 HA LYS A 943 -18.030 19.361 26.106 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -20.074 19.440 24.771 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -19.808 20.943 25.631 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -19.041 22.043 23.594 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -19.090 20.532 22.708 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -21.085 21.815 22.179 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -21.551 20.393 23.091 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -22.779 22.286 23.963 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -21.621 21.778 25.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -21.744 24.218 24.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -20.184 23.573 24.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -21.099 23.982 23.250 1.00 0.00 H new ATOM 904 N LEU A 944 -17.279 17.679 24.457 1.00 0.00 N ATOM 905 CA LEU A 944 -16.816 16.690 23.506 1.00 0.00 C ATOM 906 C LEU A 944 -17.977 15.884 22.951 1.00 0.00 C ATOM 907 O LEU A 944 -18.825 15.391 23.698 1.00 0.00 O ATOM 908 CB LEU A 944 -15.797 15.750 24.154 1.00 0.00 C ATOM 909 CG LEU A 944 -14.415 16.353 24.407 1.00 0.00 C ATOM 910 CD1 LEU A 944 -13.523 15.358 25.125 1.00 0.00 C ATOM 911 CD2 LEU A 944 -13.776 16.769 23.096 1.00 0.00 C ATOM 0 H LEU A 944 -17.425 17.329 25.404 1.00 0.00 H new ATOM 0 HA LEU A 944 -16.335 17.221 22.685 1.00 0.00 H new ATOM 0 HB2 LEU A 944 -16.202 15.402 25.104 1.00 0.00 H new ATOM 0 HB3 LEU A 944 -15.681 14.873 23.517 1.00 0.00 H new ATOM 0 HG LEU A 944 -14.535 17.233 25.038 1.00 0.00 H new ATOM 0 HD11 LEU A 944 -12.544 15.805 25.296 1.00 0.00 H new ATOM 0 HD12 LEU A 944 -13.972 15.091 26.081 1.00 0.00 H new ATOM 0 HD13 LEU A 944 -13.411 14.462 24.514 1.00 0.00 H new ATOM 0 HD21 LEU A 944 -12.792 17.197 23.290 1.00 0.00 H new ATOM 0 HD22 LEU A 944 -13.671 15.898 22.450 1.00 0.00 H new ATOM 0 HD23 LEU A 944 -14.404 17.512 22.605 1.00 0.00 H new ATOM 923 N PRO A 945 -18.031 15.750 21.623 1.00 0.00 N ATOM 924 CA PRO A 945 -18.962 14.851 20.956 1.00 0.00 C ATOM 925 C PRO A 945 -18.557 13.396 21.158 1.00 0.00 C ATOM 926 O PRO A 945 -17.381 13.094 21.381 1.00 0.00 O ATOM 927 CB PRO A 945 -18.859 15.240 19.474 1.00 0.00 C ATOM 928 CG PRO A 945 -18.125 16.539 19.458 1.00 0.00 C ATOM 929 CD PRO A 945 -17.228 16.507 20.658 1.00 0.00 C ATOM 0 HA PRO A 945 -19.976 14.939 21.346 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -18.325 14.480 18.904 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -19.847 15.341 19.024 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -17.548 16.653 18.540 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -18.816 17.381 19.507 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -16.279 16.016 20.444 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -16.995 17.509 21.019 1.00 0.00 H new ATOM 937 N ASP A 946 -19.531 12.506 21.075 1.00 0.00 N ATOM 938 CA ASP A 946 -19.304 11.086 21.316 1.00 0.00 C ATOM 939 C ASP A 946 -18.264 10.522 20.347 1.00 0.00 C ATOM 940 O ASP A 946 -17.308 9.858 20.758 1.00 0.00 O ATOM 941 CB ASP A 946 -20.621 10.317 21.180 1.00 0.00 C ATOM 942 CG ASP A 946 -20.517 8.890 21.674 1.00 0.00 C ATOM 943 OD1 ASP A 946 -20.102 8.015 20.890 1.00 0.00 O ATOM 944 OD2 ASP A 946 -20.863 8.634 22.851 1.00 0.00 O ATOM 0 H ASP A 946 -20.495 12.742 20.841 1.00 0.00 H new ATOM 0 HA ASP A 946 -18.921 10.969 22.330 1.00 0.00 H new ATOM 0 HB2 ASP A 946 -21.399 10.835 21.740 1.00 0.00 H new ATOM 0 HB3 ASP A 946 -20.929 10.314 20.134 1.00 0.00 H new ATOM 949 N TYR A 947 -18.432 10.822 19.064 1.00 0.00 N ATOM 950 CA TYR A 947 -17.542 10.292 18.040 1.00 0.00 C ATOM 951 C TYR A 947 -16.126 10.844 18.165 1.00 0.00 C ATOM 952 O TYR A 947 -15.163 10.150 17.847 1.00 0.00 O ATOM 953 CB TYR A 947 -18.092 10.573 16.643 1.00 0.00 C ATOM 954 CG TYR A 947 -19.216 9.647 16.248 1.00 0.00 C ATOM 955 CD1 TYR A 947 -18.965 8.308 15.984 1.00 0.00 C ATOM 956 CD2 TYR A 947 -20.521 10.107 16.129 1.00 0.00 C ATOM 957 CE1 TYR A 947 -19.981 7.452 15.611 1.00 0.00 C ATOM 958 CE2 TYR A 947 -21.544 9.256 15.759 1.00 0.00 C ATOM 959 CZ TYR A 947 -21.268 7.929 15.500 1.00 0.00 C ATOM 960 OH TYR A 947 -22.283 7.081 15.121 1.00 0.00 O ATOM 0 H TYR A 947 -19.173 11.427 18.710 1.00 0.00 H new ATOM 0 HA TYR A 947 -17.492 9.214 18.194 1.00 0.00 H new ATOM 0 HB2 TYR A 947 -18.446 11.603 16.600 1.00 0.00 H new ATOM 0 HB3 TYR A 947 -17.284 10.483 15.917 1.00 0.00 H new ATOM 0 HD1 TYR A 947 -17.957 7.929 16.072 1.00 0.00 H new ATOM 0 HD2 TYR A 947 -20.739 11.146 16.329 1.00 0.00 H new ATOM 0 HE1 TYR A 947 -19.768 6.413 15.407 1.00 0.00 H new ATOM 0 HE2 TYR A 947 -22.555 9.627 15.673 1.00 0.00 H new ATOM 0 HH TYR A 947 -23.129 7.575 15.092 1.00 0.00 H new ATOM 970 N ILE A 948 -15.985 12.069 18.655 1.00 0.00 N ATOM 971 CA ILE A 948 -14.660 12.642 18.831 1.00 0.00 C ATOM 972 C ILE A 948 -13.914 11.891 19.925 1.00 0.00 C ATOM 973 O ILE A 948 -12.732 11.580 19.778 1.00 0.00 O ATOM 974 CB ILE A 948 -14.703 14.160 19.133 1.00 0.00 C ATOM 975 CG1 ILE A 948 -15.093 14.928 17.865 1.00 0.00 C ATOM 976 CG2 ILE A 948 -13.361 14.645 19.663 1.00 0.00 C ATOM 977 CD1 ILE A 948 -14.950 16.430 17.988 1.00 0.00 C ATOM 0 H ILE A 948 -16.757 12.674 18.933 1.00 0.00 H new ATOM 0 HA ILE A 948 -14.126 12.531 17.887 1.00 0.00 H new ATOM 0 HB ILE A 948 -15.452 14.344 19.904 1.00 0.00 H new ATOM 0 HG12 ILE A 948 -14.475 14.581 17.037 1.00 0.00 H new ATOM 0 HG13 ILE A 948 -16.126 14.691 17.612 1.00 0.00 H new ATOM 0 HG21 ILE A 948 -13.416 15.714 19.868 1.00 0.00 H new ATOM 0 HG22 ILE A 948 -13.118 14.111 20.582 1.00 0.00 H new ATOM 0 HG23 ILE A 948 -12.587 14.457 18.919 1.00 0.00 H new ATOM 0 HD11 ILE A 948 -15.245 16.902 17.051 1.00 0.00 H new ATOM 0 HD12 ILE A 948 -15.590 16.792 18.793 1.00 0.00 H new ATOM 0 HD13 ILE A 948 -13.912 16.680 18.209 1.00 0.00 H new ATOM 989 N LYS A 949 -14.625 11.556 20.997 1.00 0.00 N ATOM 990 CA LYS A 949 -14.052 10.736 22.057 1.00 0.00 C ATOM 991 C LYS A 949 -13.697 9.357 21.515 1.00 0.00 C ATOM 992 O LYS A 949 -12.682 8.772 21.896 1.00 0.00 O ATOM 993 CB LYS A 949 -15.019 10.593 23.233 1.00 0.00 C ATOM 994 CG LYS A 949 -15.440 11.912 23.855 1.00 0.00 C ATOM 995 CD LYS A 949 -16.235 11.694 25.133 1.00 0.00 C ATOM 996 CE LYS A 949 -17.410 10.752 24.917 1.00 0.00 C ATOM 997 NZ LYS A 949 -18.181 10.524 26.168 1.00 0.00 N ATOM 0 H LYS A 949 -15.593 11.838 21.154 1.00 0.00 H new ATOM 0 HA LYS A 949 -13.150 11.232 22.414 1.00 0.00 H new ATOM 0 HB2 LYS A 949 -15.909 10.063 22.895 1.00 0.00 H new ATOM 0 HB3 LYS A 949 -14.552 9.975 24.000 1.00 0.00 H new ATOM 0 HG2 LYS A 949 -14.556 12.512 24.072 1.00 0.00 H new ATOM 0 HG3 LYS A 949 -16.041 12.477 23.142 1.00 0.00 H new ATOM 0 HD2 LYS A 949 -15.580 11.286 25.903 1.00 0.00 H new ATOM 0 HD3 LYS A 949 -16.601 12.653 25.501 1.00 0.00 H new ATOM 0 HE2 LYS A 949 -18.070 11.166 24.155 1.00 0.00 H new ATOM 0 HE3 LYS A 949 -17.044 9.798 24.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 949 -18.972 9.877 25.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 949 -17.558 10.105 26.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 949 -18.553 11.431 26.517 1.00 0.00 H new ATOM 1011 N GLN A 950 -14.544 8.843 20.626 1.00 0.00 N ATOM 1012 CA GLN A 950 -14.309 7.537 20.010 1.00 0.00 C ATOM 1013 C GLN A 950 -13.004 7.531 19.219 1.00 0.00 C ATOM 1014 O GLN A 950 -12.208 6.598 19.328 1.00 0.00 O ATOM 1015 CB GLN A 950 -15.480 7.143 19.095 1.00 0.00 C ATOM 1016 CG GLN A 950 -15.228 5.876 18.283 1.00 0.00 C ATOM 1017 CD GLN A 950 -15.029 4.642 19.148 1.00 0.00 C ATOM 1018 OE1 GLN A 950 -15.600 4.525 20.229 1.00 0.00 O ATOM 1019 NE2 GLN A 950 -14.205 3.717 18.681 1.00 0.00 N ATOM 0 H GLN A 950 -15.397 9.308 20.316 1.00 0.00 H new ATOM 0 HA GLN A 950 -14.231 6.804 20.813 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -16.373 7.001 19.704 1.00 0.00 H new ATOM 0 HB3 GLN A 950 -15.688 7.966 18.411 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -16.070 5.709 17.611 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -14.346 6.021 17.659 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -13.749 3.849 17.778 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -14.026 2.872 19.224 1.00 0.00 H new ATOM 1028 N LYS A 951 -12.774 8.585 18.440 1.00 0.00 N ATOM 1029 CA LYS A 951 -11.556 8.682 17.642 1.00 0.00 C ATOM 1030 C LYS A 951 -10.362 8.867 18.561 1.00 0.00 C ATOM 1031 O LYS A 951 -9.324 8.233 18.394 1.00 0.00 O ATOM 1032 CB LYS A 951 -11.629 9.842 16.640 1.00 0.00 C ATOM 1033 CG LYS A 951 -12.315 9.511 15.315 1.00 0.00 C ATOM 1034 CD LYS A 951 -13.779 9.157 15.493 1.00 0.00 C ATOM 1035 CE LYS A 951 -14.616 9.641 14.319 1.00 0.00 C ATOM 1036 NZ LYS A 951 -14.244 8.979 13.039 1.00 0.00 N ATOM 0 H LYS A 951 -13.409 9.377 18.345 1.00 0.00 H new ATOM 0 HA LYS A 951 -11.447 7.758 17.074 1.00 0.00 H new ATOM 0 HB2 LYS A 951 -12.157 10.673 17.107 1.00 0.00 H new ATOM 0 HB3 LYS A 951 -10.616 10.186 16.431 1.00 0.00 H new ATOM 0 HG2 LYS A 951 -12.230 10.364 14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 951 -11.798 8.677 14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 951 -13.883 8.077 15.595 1.00 0.00 H new ATOM 0 HD3 LYS A 951 -14.152 9.602 16.415 1.00 0.00 H new ATOM 0 HE2 LYS A 951 -15.670 9.454 14.527 1.00 0.00 H new ATOM 0 HE3 LYS A 951 -14.498 10.719 14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 951 -15.033 9.056 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 951 -13.402 9.442 12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 951 -14.036 7.975 13.215 1.00 0.00 H new ATOM 1050 N LEU A 952 -10.553 9.723 19.552 1.00 0.00 N ATOM 1051 CA LEU A 952 -9.520 10.060 20.519 1.00 0.00 C ATOM 1052 C LEU A 952 -9.036 8.826 21.278 1.00 0.00 C ATOM 1053 O LEU A 952 -7.843 8.672 21.542 1.00 0.00 O ATOM 1054 CB LEU A 952 -10.095 11.083 21.496 1.00 0.00 C ATOM 1055 CG LEU A 952 -9.196 11.466 22.663 1.00 0.00 C ATOM 1056 CD1 LEU A 952 -7.932 12.135 22.161 1.00 0.00 C ATOM 1057 CD2 LEU A 952 -9.950 12.377 23.612 1.00 0.00 C ATOM 0 H LEU A 952 -11.437 10.208 19.709 1.00 0.00 H new ATOM 0 HA LEU A 952 -8.660 10.473 19.992 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -10.342 11.988 20.941 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -11.029 10.689 21.896 1.00 0.00 H new ATOM 0 HG LEU A 952 -8.906 10.564 23.202 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -7.301 12.402 23.008 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -7.392 11.449 21.508 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -8.193 13.035 21.605 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -9.303 12.649 24.446 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -10.258 13.279 23.083 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -10.831 11.859 23.990 1.00 0.00 H new ATOM 1069 N GLN A 953 -9.962 7.939 21.597 1.00 0.00 N ATOM 1070 CA GLN A 953 -9.645 6.747 22.364 1.00 0.00 C ATOM 1071 C GLN A 953 -8.815 5.765 21.537 1.00 0.00 C ATOM 1072 O GLN A 953 -8.047 4.974 22.083 1.00 0.00 O ATOM 1073 CB GLN A 953 -10.934 6.080 22.843 1.00 0.00 C ATOM 1074 CG GLN A 953 -10.712 5.042 23.928 1.00 0.00 C ATOM 1075 CD GLN A 953 -11.994 4.369 24.373 1.00 0.00 C ATOM 1076 OE1 GLN A 953 -12.383 3.333 23.832 1.00 0.00 O ATOM 1077 NE2 GLN A 953 -12.665 4.956 25.355 1.00 0.00 N ATOM 0 H GLN A 953 -10.944 8.022 21.335 1.00 0.00 H new ATOM 0 HA GLN A 953 -9.051 7.042 23.229 1.00 0.00 H new ATOM 0 HB2 GLN A 953 -11.613 6.846 23.218 1.00 0.00 H new ATOM 0 HB3 GLN A 953 -11.426 5.606 21.993 1.00 0.00 H new ATOM 0 HG2 GLN A 953 -10.018 4.285 23.563 1.00 0.00 H new ATOM 0 HG3 GLN A 953 -10.240 5.518 24.788 1.00 0.00 H new ATOM 0 HE21 GLN A 953 -12.307 5.814 25.776 1.00 0.00 H new ATOM 0 HE22 GLN A 953 -13.539 4.550 25.690 1.00 0.00 H new ATOM 1086 N CYS A 954 -8.955 5.844 20.217 1.00 0.00 N ATOM 1087 CA CYS A 954 -8.301 4.904 19.309 1.00 0.00 C ATOM 1088 C CYS A 954 -6.783 5.101 19.278 1.00 0.00 C ATOM 1089 O CYS A 954 -6.042 4.176 18.950 1.00 0.00 O ATOM 1090 CB CYS A 954 -8.876 5.039 17.895 1.00 0.00 C ATOM 1091 SG CYS A 954 -10.639 4.647 17.773 1.00 0.00 S ATOM 0 H CYS A 954 -9.519 6.554 19.749 1.00 0.00 H new ATOM 0 HA CYS A 954 -8.498 3.900 19.685 1.00 0.00 H new ATOM 0 HB2 CYS A 954 -8.717 6.059 17.546 1.00 0.00 H new ATOM 0 HB3 CYS A 954 -8.322 4.382 17.225 1.00 0.00 H new ATOM 0 HG CYS A 954 -11.333 5.590 18.337 1.00 0.00 H new ATOM 1097 N LEU A 955 -6.319 6.298 19.634 1.00 0.00 N ATOM 1098 CA LEU A 955 -4.886 6.592 19.610 1.00 0.00 C ATOM 1099 C LEU A 955 -4.144 5.846 20.719 1.00 0.00 C ATOM 1100 O LEU A 955 -2.928 5.658 20.644 1.00 0.00 O ATOM 1101 CB LEU A 955 -4.615 8.102 19.732 1.00 0.00 C ATOM 1102 CG LEU A 955 -4.926 8.943 18.484 1.00 0.00 C ATOM 1103 CD1 LEU A 955 -4.396 8.267 17.230 1.00 0.00 C ATOM 1104 CD2 LEU A 955 -6.416 9.208 18.360 1.00 0.00 C ATOM 0 H LEU A 955 -6.907 7.073 19.940 1.00 0.00 H new ATOM 0 HA LEU A 955 -4.512 6.249 18.645 1.00 0.00 H new ATOM 0 HB2 LEU A 955 -5.202 8.491 20.564 1.00 0.00 H new ATOM 0 HB3 LEU A 955 -3.565 8.243 19.989 1.00 0.00 H new ATOM 0 HG LEU A 955 -4.421 9.903 18.595 1.00 0.00 H new ATOM 0 HD11 LEU A 955 -4.628 8.881 16.360 1.00 0.00 H new ATOM 0 HD12 LEU A 955 -3.316 8.146 17.311 1.00 0.00 H new ATOM 0 HD13 LEU A 955 -4.863 7.289 17.119 1.00 0.00 H new ATOM 0 HD21 LEU A 955 -6.606 9.805 17.468 1.00 0.00 H new ATOM 0 HD22 LEU A 955 -6.949 8.260 18.283 1.00 0.00 H new ATOM 0 HD23 LEU A 955 -6.764 9.749 19.240 1.00 0.00 H new