USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 767 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: B 8 GLN : amide:sc= 0.278 K(o=0.97,f=0.13) USER MOD Set 1.2: B 30 SER OG : rot 180:sc= 0.696 USER MOD Set 2.1: A 44 THR OG1 : rot 79:sc= 1.24 USER MOD Set 2.2: B 29 SER OG : rot -170:sc= 1.92 USER MOD Set 3.1: B 16 CYS SG : rot 130:sc= 2.75 USER MOD Set 3.2: B 19 CYS SG : rot 78:sc= 0.587 USER MOD Set 3.3: B 49 CYS SG : rot 9:sc= 1.93 USER MOD Set 3.4: B 52 CYS SG : rot -171:sc= 2.37 USER MOD Set 4.1: A 16 CYS SG : rot -42:sc= 0.552! USER MOD Set 4.2: A 19 CYS SG : rot -38:sc= 0.541 USER MOD Set 4.3: A 49 CYS SG : rot -60:sc= 1.22 USER MOD Set 4.4: A 52 CYS SG : rot -156:sc= 0.0267 USER MOD Set 5.1: A 17 CYS SG : rot 149:sc= 0 USER MOD Set 5.2: A 46 SER OG : rot 92:sc= 0.697 USER MOD Set 6.1: A 8 GLN : amide:sc= 0.385 X(o=1.1,f=0.89) USER MOD Set 6.2: A 30 SER OG : rot 180:sc= 0.699 USER MOD Single : A 10 HIS : no HE2:sc= 0.106 K(o=0.11,f=-2.9!) USER MOD Single : A 11 LYS NZ :NH3+ -101:sc= 1.18 (180deg=0.159) USER MOD Single : A 14 CYS SG : rot 174:sc= 0.716 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 91:sc= -0.35! USER MOD Single : A 29 SER OG : rot 180:sc= -0.174 USER MOD Single : A 36 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 39 GLN : amide:sc= 1.16 K(o=1.2,f=-0.066) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 90:sc= 1.17 USER MOD Single : A 55 ASN : amide:sc= -0.616 K(o=-0.62,f=-2.8!) USER MOD Single : B 10 HIS : no HE2:sc= -0.125 K(o=-0.12,f=-2.1) USER MOD Single : B 11 LYS NZ :NH3+ -155:sc= 1.14 (180deg=0.184) USER MOD Single : B 14 CYS SG : rot 171:sc= 0.195 USER MOD Single : B 17 CYS SG : rot 168:sc= 0.208 USER MOD Single : B 18 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.01) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 36 THR OG1 : rot 84:sc= 1.21 USER MOD Single : B 38 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : B 39 GLN : amide:sc= 1.2 K(o=1.2,f=-0.036) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot 155:sc= 0.928 USER MOD Single : B 54 THR OG1 : rot 103:sc= 1.22 USER MOD Single : B 55 ASN : amide:sc= 1.21 K(o=1.2,f=-0.032) USER MOD Single : B 56 GLN : amide:sc= 1.05 K(o=1.1,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 -14.241 -2.811 0.494 1.00 0.00 N ATOM 93 CA GLN A 8 -13.074 -2.671 -0.353 1.00 0.00 C ATOM 94 C GLN A 8 -12.179 -1.588 0.251 1.00 0.00 C ATOM 95 O GLN A 8 -11.137 -1.921 0.800 1.00 0.00 O ATOM 96 CB GLN A 8 -13.523 -2.424 -1.814 1.00 0.00 C ATOM 97 CG GLN A 8 -12.673 -3.186 -2.842 1.00 0.00 C ATOM 98 CD GLN A 8 -12.858 -4.700 -2.714 1.00 0.00 C ATOM 99 OE1 GLN A 8 -13.906 -5.245 -3.034 1.00 0.00 O ATOM 100 NE2 GLN A 8 -11.848 -5.396 -2.213 1.00 0.00 N ATOM 0 HA GLN A 8 -12.473 -3.579 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.566 -2.721 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.471 -1.357 -2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.947 -2.869 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.621 -2.934 -2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.983 -4.923 -1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.936 -6.404 -2.088 1.00 0.00 H new ATOM 109 N ARG A 9 -12.574 -0.309 0.183 1.00 0.00 N ATOM 110 CA ARG A 9 -11.849 0.843 0.730 1.00 0.00 C ATOM 111 C ARG A 9 -11.589 0.673 2.231 1.00 0.00 C ATOM 112 O ARG A 9 -12.410 1.088 3.048 1.00 0.00 O ATOM 113 CB ARG A 9 -12.640 2.123 0.390 1.00 0.00 C ATOM 114 CG ARG A 9 -11.924 3.443 0.621 1.00 0.00 C ATOM 115 CD ARG A 9 -11.900 3.975 2.068 1.00 0.00 C ATOM 116 NE ARG A 9 -11.789 5.451 2.110 1.00 0.00 N ATOM 117 CZ ARG A 9 -12.823 6.308 2.027 1.00 0.00 C ATOM 118 NH1 ARG A 9 -14.071 5.850 1.944 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.646 7.629 2.019 1.00 0.00 N ATOM 0 H ARG A 9 -13.445 -0.039 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.862 0.921 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.935 2.074 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.557 2.124 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.894 3.335 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.391 4.198 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.808 3.664 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.061 3.532 2.604 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.855 5.849 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.247 4.845 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.851 6.504 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.705 8.018 2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.452 8.251 1.955 1.00 0.00 H new ATOM 133 N HIS A 10 -10.447 0.084 2.594 1.00 0.00 N ATOM 134 CA HIS A 10 -10.085 -0.244 3.967 1.00 0.00 C ATOM 135 C HIS A 10 -8.780 0.458 4.320 1.00 0.00 C ATOM 136 O HIS A 10 -8.076 0.939 3.438 1.00 0.00 O ATOM 137 CB HIS A 10 -9.998 -1.760 4.146 1.00 0.00 C ATOM 138 CG HIS A 10 -11.295 -2.512 3.965 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.413 -3.823 3.582 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.561 -2.019 4.093 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.719 -4.113 3.491 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.464 -3.047 3.814 1.00 0.00 N ATOM 0 H HIS A 10 -9.731 -0.184 1.918 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.854 0.109 4.653 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.270 -2.151 3.436 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.613 -1.969 5.144 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.642 -4.465 3.398 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.820 -1.006 4.364 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.116 -5.074 3.198 1.00 0.00 H new ATOM 150 N LYS A 11 -8.472 0.569 5.615 1.00 0.00 N ATOM 151 CA LYS A 11 -7.548 1.572 6.115 1.00 0.00 C ATOM 152 C LYS A 11 -6.604 0.968 7.137 1.00 0.00 C ATOM 153 O LYS A 11 -6.927 0.895 8.322 1.00 0.00 O ATOM 154 CB LYS A 11 -8.362 2.751 6.674 1.00 0.00 C ATOM 155 CG LYS A 11 -9.136 3.437 5.530 1.00 0.00 C ATOM 156 CD LYS A 11 -9.893 4.723 5.865 1.00 0.00 C ATOM 157 CE LYS A 11 -9.101 5.616 6.817 1.00 0.00 C ATOM 158 NZ LYS A 11 -9.411 7.053 6.659 1.00 0.00 N ATOM 0 H LYS A 11 -8.859 -0.036 6.339 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.917 1.947 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.057 2.397 7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.698 3.467 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.429 3.661 4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.852 2.719 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.105 5.270 4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.853 4.473 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.309 5.317 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.035 5.460 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.662 7.510 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.322 7.160 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.468 7.501 7.596 1.00 0.00 H new ATOM 172 N ILE A 12 -5.434 0.540 6.668 1.00 0.00 N ATOM 173 CA ILE A 12 -4.350 0.114 7.535 1.00 0.00 C ATOM 174 C ILE A 12 -3.625 1.394 7.935 1.00 0.00 C ATOM 175 O ILE A 12 -2.801 1.916 7.192 1.00 0.00 O ATOM 176 CB ILE A 12 -3.415 -0.899 6.843 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.197 -2.078 6.223 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.366 -1.365 7.868 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.321 -2.939 5.314 1.00 0.00 C ATOM 0 H ILE A 12 -5.216 0.481 5.673 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.724 -0.418 8.410 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.909 -0.418 6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.609 -2.697 7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.041 -1.691 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.693 -2.083 7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.793 -0.506 8.218 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.868 -1.836 8.713 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.915 -3.755 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.930 -2.328 4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.492 -3.350 5.890 1.00 0.00 H new ATOM 191 N LEU A 13 -3.963 1.956 9.089 1.00 0.00 N ATOM 192 CA LEU A 13 -3.249 3.092 9.623 1.00 0.00 C ATOM 193 C LEU A 13 -1.910 2.601 10.174 1.00 0.00 C ATOM 194 O LEU A 13 -1.855 2.008 11.250 1.00 0.00 O ATOM 195 CB LEU A 13 -4.108 3.838 10.643 1.00 0.00 C ATOM 196 CG LEU A 13 -3.558 5.266 10.836 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.677 6.281 10.596 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.943 5.445 12.223 1.00 0.00 C ATOM 0 H LEU A 13 -4.736 1.634 9.672 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.035 3.825 8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.142 3.879 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.107 3.305 11.594 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.763 5.434 10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.288 7.290 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.055 6.172 9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.486 6.105 11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.565 6.462 12.325 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.702 5.262 12.984 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.123 4.739 12.351 1.00 0.00 H new ATOM 210 N CYS A 14 -0.850 2.788 9.389 1.00 0.00 N ATOM 211 CA CYS A 14 0.489 2.281 9.639 1.00 0.00 C ATOM 212 C CYS A 14 1.440 3.454 9.917 1.00 0.00 C ATOM 213 O CYS A 14 1.006 4.593 10.118 1.00 0.00 O ATOM 214 CB CYS A 14 0.911 1.437 8.424 1.00 0.00 C ATOM 215 SG CYS A 14 2.184 0.220 8.865 1.00 0.00 S ATOM 0 H CYS A 14 -0.909 3.323 8.522 1.00 0.00 H new ATOM 0 HA CYS A 14 0.520 1.643 10.522 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.040 0.922 8.018 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.289 2.092 7.639 1.00 0.00 H new ATOM 0 HG CYS A 14 2.422 -0.549 7.844 1.00 0.00 H new ATOM 221 N VAL A 15 2.745 3.179 9.915 1.00 0.00 N ATOM 222 CA VAL A 15 3.794 4.184 9.986 1.00 0.00 C ATOM 223 C VAL A 15 4.776 3.969 8.839 1.00 0.00 C ATOM 224 O VAL A 15 4.895 2.869 8.295 1.00 0.00 O ATOM 225 CB VAL A 15 4.498 4.190 11.360 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.551 4.696 12.457 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.058 2.813 11.748 1.00 0.00 C ATOM 0 H VAL A 15 3.105 2.226 9.863 1.00 0.00 H new ATOM 0 HA VAL A 15 3.343 5.171 9.880 1.00 0.00 H new ATOM 0 HB VAL A 15 5.344 4.871 11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.069 4.691 13.416 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.232 5.711 12.222 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.678 4.045 12.513 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.541 2.878 12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.244 2.089 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.786 2.493 11.003 1.00 0.00 H new ATOM 237 N CYS A 16 5.465 5.045 8.471 1.00 0.00 N ATOM 238 CA CYS A 16 6.453 5.073 7.418 1.00 0.00 C ATOM 239 C CYS A 16 7.796 4.600 7.962 1.00 0.00 C ATOM 240 O CYS A 16 8.269 5.117 8.971 1.00 0.00 O ATOM 241 CB CYS A 16 6.602 6.516 6.943 1.00 0.00 C ATOM 242 SG CYS A 16 7.535 6.452 5.409 1.00 0.00 S ATOM 0 H CYS A 16 5.339 5.952 8.921 1.00 0.00 H new ATOM 0 HA CYS A 16 6.142 4.423 6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.626 6.975 6.785 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.121 7.118 7.688 1.00 0.00 H new ATOM 0 HG CYS A 16 8.508 5.598 5.528 1.00 0.00 H new ATOM 247 N CYS A 17 8.453 3.679 7.266 1.00 0.00 N ATOM 248 CA CYS A 17 9.648 3.032 7.800 1.00 0.00 C ATOM 249 C CYS A 17 10.854 3.976 7.879 1.00 0.00 C ATOM 250 O CYS A 17 11.692 3.809 8.763 1.00 0.00 O ATOM 251 CB CYS A 17 9.963 1.806 6.947 1.00 0.00 C ATOM 252 SG CYS A 17 10.859 0.540 7.884 1.00 0.00 S ATOM 0 H CYS A 17 8.181 3.364 6.335 1.00 0.00 H new ATOM 0 HA CYS A 17 9.443 2.731 8.827 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.035 1.383 6.563 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.557 2.107 6.084 1.00 0.00 H new ATOM 0 HG CYS A 17 10.545 -0.638 7.432 1.00 0.00 H new ATOM 258 N LYS A 18 10.961 4.977 6.988 1.00 0.00 N ATOM 259 CA LYS A 18 12.150 5.818 6.914 1.00 0.00 C ATOM 260 C LYS A 18 12.005 7.085 7.757 1.00 0.00 C ATOM 261 O LYS A 18 13.017 7.714 8.054 1.00 0.00 O ATOM 262 CB LYS A 18 12.475 6.100 5.436 1.00 0.00 C ATOM 263 CG LYS A 18 11.468 7.036 4.749 1.00 0.00 C ATOM 264 CD LYS A 18 11.854 8.519 4.866 1.00 0.00 C ATOM 265 CE LYS A 18 12.581 9.021 3.622 1.00 0.00 C ATOM 266 NZ LYS A 18 13.045 10.413 3.810 1.00 0.00 N ATOM 0 H LYS A 18 10.235 5.217 6.313 1.00 0.00 H new ATOM 0 HA LYS A 18 12.999 5.290 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.470 6.540 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.507 5.155 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.391 6.768 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.482 6.887 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.956 9.116 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.491 8.660 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.432 8.375 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.916 8.968 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.537 10.734 2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.228 11.030 3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.697 10.455 4.619 1.00 0.00 H new ATOM 280 N CYS A 19 10.773 7.490 8.101 1.00 0.00 N ATOM 281 CA CYS A 19 10.500 8.742 8.783 1.00 0.00 C ATOM 282 C CYS A 19 9.598 8.595 10.015 1.00 0.00 C ATOM 283 O CYS A 19 9.335 9.603 10.666 1.00 0.00 O ATOM 284 CB CYS A 19 9.955 9.747 7.760 1.00 0.00 C ATOM 285 SG CYS A 19 8.522 9.306 6.728 1.00 0.00 S ATOM 0 H CYS A 19 9.935 6.942 7.906 1.00 0.00 H new ATOM 0 HA CYS A 19 11.436 9.118 9.196 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.696 10.655 8.304 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.774 10.001 7.087 1.00 0.00 H new ATOM 0 HG CYS A 19 8.606 8.056 6.379 1.00 0.00 H new ATOM 290 N ASP A 20 9.138 7.377 10.339 1.00 0.00 N ATOM 291 CA ASP A 20 8.231 7.043 11.447 1.00 0.00 C ATOM 292 C ASP A 20 6.975 7.926 11.482 1.00 0.00 C ATOM 293 O ASP A 20 6.357 8.135 12.524 1.00 0.00 O ATOM 294 CB ASP A 20 9.004 6.982 12.775 1.00 0.00 C ATOM 295 CG ASP A 20 8.216 6.269 13.884 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.548 5.257 13.564 1.00 0.00 O ATOM 297 OD2 ASP A 20 8.347 6.705 15.049 1.00 0.00 O ATOM 0 H ASP A 20 9.405 6.551 9.803 1.00 0.00 H new ATOM 0 HA ASP A 20 7.835 6.042 11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.951 6.465 12.617 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.244 7.995 13.098 1.00 0.00 H new ATOM 302 N GLY A 21 6.578 8.459 10.318 1.00 0.00 N ATOM 303 CA GLY A 21 5.380 9.277 10.225 1.00 0.00 C ATOM 304 C GLY A 21 4.186 8.359 10.096 1.00 0.00 C ATOM 305 O GLY A 21 4.267 7.312 9.456 1.00 0.00 O ATOM 0 H GLY A 21 7.073 8.334 9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.281 9.907 11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.441 9.943 9.364 1.00 0.00 H new ATOM 309 N ARG A 22 3.060 8.779 10.660 1.00 0.00 N ATOM 310 CA ARG A 22 1.804 8.060 10.558 1.00 0.00 C ATOM 311 C ARG A 22 1.377 8.082 9.094 1.00 0.00 C ATOM 312 O ARG A 22 1.386 9.147 8.477 1.00 0.00 O ATOM 313 CB ARG A 22 0.793 8.722 11.511 1.00 0.00 C ATOM 314 CG ARG A 22 -0.599 8.084 11.457 1.00 0.00 C ATOM 315 CD ARG A 22 -1.480 8.680 10.347 1.00 0.00 C ATOM 316 NE ARG A 22 -2.498 9.605 10.873 1.00 0.00 N ATOM 317 CZ ARG A 22 -3.400 10.276 10.141 1.00 0.00 C ATOM 318 NH1 ARG A 22 -3.465 10.102 8.820 1.00 0.00 N ATOM 319 NH2 ARG A 22 -4.241 11.123 10.735 1.00 0.00 N ATOM 0 H ARG A 22 2.997 9.638 11.206 1.00 0.00 H new ATOM 0 HA ARG A 22 1.883 7.015 10.858 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.173 8.662 12.531 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.710 9.780 11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.497 7.011 11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.093 8.218 12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.850 9.207 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.972 7.873 9.805 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.519 9.748 11.883 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.826 9.455 8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.154 10.616 8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.198 11.260 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.927 11.634 10.180 1.00 0.00 H new ATOM 333 N ILE A 23 0.935 6.939 8.564 1.00 0.00 N ATOM 334 CA ILE A 23 0.354 6.859 7.235 1.00 0.00 C ATOM 335 C ILE A 23 -1.006 6.184 7.362 1.00 0.00 C ATOM 336 O ILE A 23 -1.109 5.058 7.839 1.00 0.00 O ATOM 337 CB ILE A 23 1.238 6.096 6.223 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.757 6.350 6.314 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.714 6.518 4.833 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.539 5.404 5.387 1.00 0.00 C ATOM 0 H ILE A 23 0.973 6.044 9.052 1.00 0.00 H new ATOM 0 HA ILE A 23 0.263 7.871 6.841 1.00 0.00 H new ATOM 0 HB ILE A 23 1.154 5.030 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.971 7.385 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.090 6.212 7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.293 6.016 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.335 6.239 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.814 7.597 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.606 5.609 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.343 4.371 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.223 5.562 4.356 1.00 0.00 H new ATOM 352 N GLU A 24 -2.055 6.858 6.898 1.00 0.00 N ATOM 353 CA GLU A 24 -3.298 6.186 6.571 1.00 0.00 C ATOM 354 C GLU A 24 -3.064 5.414 5.268 1.00 0.00 C ATOM 355 O GLU A 24 -2.967 6.034 4.208 1.00 0.00 O ATOM 356 CB GLU A 24 -4.406 7.236 6.433 1.00 0.00 C ATOM 357 CG GLU A 24 -5.762 6.586 6.136 1.00 0.00 C ATOM 358 CD GLU A 24 -6.452 7.223 4.930 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.070 6.873 3.787 1.00 0.00 O ATOM 360 OE2 GLU A 24 -7.447 7.945 5.160 1.00 0.00 O ATOM 0 H GLU A 24 -2.064 7.866 6.742 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.609 5.486 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.474 7.818 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.152 7.932 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.621 5.521 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.406 6.675 7.011 1.00 0.00 H new ATOM 367 N LEU A 25 -2.920 4.084 5.329 1.00 0.00 N ATOM 368 CA LEU A 25 -2.860 3.274 4.120 1.00 0.00 C ATOM 369 C LEU A 25 -4.288 2.883 3.765 1.00 0.00 C ATOM 370 O LEU A 25 -4.768 1.828 4.194 1.00 0.00 O ATOM 371 CB LEU A 25 -1.967 2.027 4.258 1.00 0.00 C ATOM 372 CG LEU A 25 -0.615 2.241 4.949 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.093 0.891 5.055 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.245 3.197 4.124 1.00 0.00 C ATOM 0 H LEU A 25 -2.844 3.556 6.198 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.399 3.863 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.520 1.268 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.784 1.624 3.262 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.770 2.668 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.058 1.024 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.519 0.204 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.246 0.481 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.204 3.345 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.411 2.774 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.265 4.155 4.029 1.00 0.00 H new ATOM 386 N THR A 26 -4.988 3.732 3.009 1.00 0.00 N ATOM 387 CA THR A 26 -6.207 3.270 2.371 1.00 0.00 C ATOM 388 C THR A 26 -5.825 2.302 1.242 1.00 0.00 C ATOM 389 O THR A 26 -5.361 2.712 0.177 1.00 0.00 O ATOM 390 CB THR A 26 -7.129 4.406 1.935 1.00 0.00 C ATOM 391 OG1 THR A 26 -7.542 5.143 3.061 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.436 3.833 1.389 1.00 0.00 C ATOM 0 H THR A 26 -4.739 4.705 2.832 1.00 0.00 H new ATOM 0 HA THR A 26 -6.813 2.730 3.098 1.00 0.00 H new ATOM 0 HB THR A 26 -6.583 5.003 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.917 5.882 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.090 4.649 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.223 3.194 0.532 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.929 3.248 2.165 1.00 0.00 H new ATOM 400 N VAL A 27 -6.003 1.004 1.490 1.00 0.00 N ATOM 401 CA VAL A 27 -5.788 -0.065 0.521 1.00 0.00 C ATOM 402 C VAL A 27 -7.187 -0.622 0.266 1.00 0.00 C ATOM 403 O VAL A 27 -7.967 -0.885 1.187 1.00 0.00 O ATOM 404 CB VAL A 27 -4.705 -1.083 1.003 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.442 -0.326 1.439 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.158 -1.902 2.225 1.00 0.00 C ATOM 0 H VAL A 27 -6.310 0.660 2.400 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.354 0.267 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.525 -1.752 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.688 -1.038 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.051 0.246 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.688 0.353 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.365 -2.592 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.374 -1.229 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.056 -2.466 1.972 1.00 0.00 H new ATOM 416 N GLU A 28 -7.575 -0.645 -1.004 1.00 0.00 N ATOM 417 CA GLU A 28 -8.934 -0.927 -1.409 1.00 0.00 C ATOM 418 C GLU A 28 -8.935 -2.441 -1.628 1.00 0.00 C ATOM 419 O GLU A 28 -8.620 -2.955 -2.703 1.00 0.00 O ATOM 420 CB GLU A 28 -9.243 -0.024 -2.607 1.00 0.00 C ATOM 421 CG GLU A 28 -10.702 0.431 -2.666 1.00 0.00 C ATOM 422 CD GLU A 28 -11.150 0.872 -4.062 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.676 0.284 -5.064 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.964 1.824 -4.105 1.00 0.00 O ATOM 0 H GLU A 28 -6.943 -0.466 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.737 -0.704 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.598 0.854 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.999 -0.557 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.342 -0.384 -2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.845 1.257 -1.970 1.00 0.00 H new ATOM 431 N SER A 29 -9.131 -3.177 -0.532 1.00 0.00 N ATOM 432 CA SER A 29 -8.741 -4.554 -0.403 1.00 0.00 C ATOM 433 C SER A 29 -9.706 -5.297 0.504 1.00 0.00 C ATOM 434 O SER A 29 -9.971 -4.836 1.609 1.00 0.00 O ATOM 435 CB SER A 29 -7.375 -4.547 0.264 1.00 0.00 C ATOM 436 OG SER A 29 -6.435 -3.702 -0.382 1.00 0.00 O ATOM 0 H SER A 29 -9.580 -2.807 0.306 1.00 0.00 H new ATOM 0 HA SER A 29 -8.732 -5.042 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.487 -4.228 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.984 -5.564 0.284 1.00 0.00 H new ATOM 0 HG SER A 29 -5.579 -3.740 0.094 1.00 0.00 H new ATOM 442 N SER A 30 -10.207 -6.447 0.056 1.00 0.00 N ATOM 443 CA SER A 30 -11.223 -7.213 0.775 1.00 0.00 C ATOM 444 C SER A 30 -10.690 -7.570 2.157 1.00 0.00 C ATOM 445 O SER A 30 -9.499 -7.831 2.274 1.00 0.00 O ATOM 446 CB SER A 30 -11.544 -8.487 -0.006 1.00 0.00 C ATOM 447 OG SER A 30 -11.828 -8.169 -1.360 1.00 0.00 O ATOM 0 H SER A 30 -9.917 -6.876 -0.823 1.00 0.00 H new ATOM 0 HA SER A 30 -12.132 -6.621 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.701 -9.176 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.398 -8.994 0.444 1.00 0.00 H new ATOM 0 HG SER A 30 -12.031 -8.991 -1.853 1.00 0.00 H new ATOM 453 N ALA A 31 -11.532 -7.606 3.195 1.00 0.00 N ATOM 454 CA ALA A 31 -11.066 -7.597 4.584 1.00 0.00 C ATOM 455 C ALA A 31 -9.986 -8.639 4.887 1.00 0.00 C ATOM 456 O ALA A 31 -9.036 -8.345 5.615 1.00 0.00 O ATOM 457 CB ALA A 31 -12.257 -7.802 5.523 1.00 0.00 C ATOM 0 H ALA A 31 -12.547 -7.642 3.097 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.603 -6.624 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.911 -7.795 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.978 -6.998 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.731 -8.759 5.305 1.00 0.00 H new ATOM 463 N GLU A 32 -10.098 -9.840 4.312 1.00 0.00 N ATOM 464 CA GLU A 32 -9.174 -10.913 4.615 1.00 0.00 C ATOM 465 C GLU A 32 -8.034 -11.034 3.604 1.00 0.00 C ATOM 466 O GLU A 32 -6.987 -11.618 3.893 1.00 0.00 O ATOM 467 CB GLU A 32 -9.929 -12.219 4.843 1.00 0.00 C ATOM 468 CG GLU A 32 -9.293 -12.896 6.065 1.00 0.00 C ATOM 469 CD GLU A 32 -9.974 -14.160 6.580 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.958 -14.617 5.959 1.00 0.00 O ATOM 471 OE2 GLU A 32 -9.495 -14.618 7.645 1.00 0.00 O ATOM 0 H GLU A 32 -10.822 -10.084 3.636 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.672 -10.661 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.988 -12.027 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.860 -12.863 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.260 -13.142 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.262 -12.171 6.878 1.00 0.00 H new ATOM 478 N ASP A 33 -8.184 -10.389 2.450 1.00 0.00 N ATOM 479 CA ASP A 33 -7.090 -10.096 1.557 1.00 0.00 C ATOM 480 C ASP A 33 -6.211 -9.003 2.187 1.00 0.00 C ATOM 481 O ASP A 33 -4.990 -9.127 2.237 1.00 0.00 O ATOM 482 CB ASP A 33 -7.666 -9.702 0.196 1.00 0.00 C ATOM 483 CG ASP A 33 -6.583 -9.753 -0.870 1.00 0.00 C ATOM 484 OD1 ASP A 33 -5.631 -8.960 -0.731 1.00 0.00 O ATOM 485 OD2 ASP A 33 -6.733 -10.563 -1.809 1.00 0.00 O ATOM 0 H ASP A 33 -9.087 -10.054 2.113 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.451 -10.965 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.480 -10.376 -0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.087 -8.698 0.249 1.00 0.00 H new ATOM 490 N LEU A 34 -6.844 -8.001 2.817 1.00 0.00 N ATOM 491 CA LEU A 34 -6.183 -6.981 3.629 1.00 0.00 C ATOM 492 C LEU A 34 -5.429 -7.651 4.768 1.00 0.00 C ATOM 493 O LEU A 34 -4.267 -7.354 5.009 1.00 0.00 O ATOM 494 CB LEU A 34 -7.200 -5.935 4.115 1.00 0.00 C ATOM 495 CG LEU A 34 -6.670 -5.008 5.235 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.299 -3.626 5.059 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.031 -5.486 6.652 1.00 0.00 C ATOM 0 H LEU A 34 -7.856 -7.879 2.771 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.453 -6.440 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.508 -5.323 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.090 -6.450 4.476 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.584 -5.002 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.936 -2.959 5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.026 -3.224 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.384 -3.709 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.627 -4.788 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.115 -5.533 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.607 -6.476 6.821 1.00 0.00 H new ATOM 509 N ARG A 35 -6.097 -8.581 5.445 1.00 0.00 N ATOM 510 CA ARG A 35 -5.534 -9.396 6.525 1.00 0.00 C ATOM 511 C ARG A 35 -4.307 -10.117 5.996 1.00 0.00 C ATOM 512 O ARG A 35 -3.257 -10.024 6.619 1.00 0.00 O ATOM 513 CB ARG A 35 -6.556 -10.400 7.087 1.00 0.00 C ATOM 514 CG ARG A 35 -6.106 -11.139 8.359 1.00 0.00 C ATOM 515 CD ARG A 35 -7.113 -12.236 8.747 1.00 0.00 C ATOM 516 NE ARG A 35 -6.714 -12.913 9.992 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.322 -13.962 10.573 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.358 -14.593 10.024 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.879 -14.398 11.753 1.00 0.00 N ATOM 0 H ARG A 35 -7.075 -8.797 5.254 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.258 -8.741 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.484 -9.870 7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.781 -11.137 6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.124 -11.583 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.003 -10.428 9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.103 -11.797 8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.187 -12.966 7.941 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.888 -12.547 10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.724 -14.285 9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.786 -15.385 10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.088 -13.937 12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.331 -15.193 12.205 1.00 0.00 H new ATOM 533 N THR A 36 -4.439 -10.814 4.869 1.00 0.00 N ATOM 534 CA THR A 36 -3.360 -11.539 4.206 1.00 0.00 C ATOM 535 C THR A 36 -2.180 -10.595 3.934 1.00 0.00 C ATOM 536 O THR A 36 -1.061 -10.857 4.384 1.00 0.00 O ATOM 537 CB THR A 36 -3.905 -12.224 2.938 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.971 -13.086 3.291 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.841 -13.061 2.221 1.00 0.00 C ATOM 0 H THR A 36 -5.329 -10.891 4.377 1.00 0.00 H new ATOM 0 HA THR A 36 -2.976 -12.328 4.852 1.00 0.00 H new ATOM 0 HB THR A 36 -4.234 -11.432 2.265 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.825 -12.629 3.142 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.277 -13.522 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.011 -12.419 1.925 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.477 -13.839 2.892 1.00 0.00 H new ATOM 547 N LEU A 37 -2.420 -9.463 3.264 1.00 0.00 N ATOM 548 CA LEU A 37 -1.361 -8.503 2.972 1.00 0.00 C ATOM 549 C LEU A 37 -0.791 -7.891 4.273 1.00 0.00 C ATOM 550 O LEU A 37 0.395 -7.578 4.355 1.00 0.00 O ATOM 551 CB LEU A 37 -1.824 -7.508 1.885 1.00 0.00 C ATOM 552 CG LEU A 37 -2.213 -6.086 2.337 1.00 0.00 C ATOM 553 CD1 LEU A 37 -1.006 -5.133 2.202 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.385 -5.572 1.487 1.00 0.00 C ATOM 0 H LEU A 37 -3.340 -9.193 2.915 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.500 -9.003 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.025 -7.420 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.682 -7.944 1.374 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.517 -6.119 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.294 -4.133 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.187 -5.493 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.683 -5.100 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.656 -4.567 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.091 -5.548 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.241 -6.235 1.609 1.00 0.00 H new ATOM 566 N GLN A 38 -1.593 -7.800 5.340 1.00 0.00 N ATOM 567 CA GLN A 38 -1.149 -7.390 6.661 1.00 0.00 C ATOM 568 C GLN A 38 -0.319 -8.497 7.336 1.00 0.00 C ATOM 569 O GLN A 38 0.543 -8.189 8.157 1.00 0.00 O ATOM 570 CB GLN A 38 -2.364 -6.946 7.482 1.00 0.00 C ATOM 571 CG GLN A 38 -2.012 -6.292 8.822 1.00 0.00 C ATOM 572 CD GLN A 38 -3.233 -5.561 9.376 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.223 -4.352 9.562 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.327 -6.273 9.614 1.00 0.00 N ATOM 0 H GLN A 38 -2.589 -8.016 5.300 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.477 -6.535 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.951 -6.243 6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.998 -7.812 7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.678 -7.050 9.531 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.186 -5.593 8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.324 -7.281 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.171 -5.813 9.955 1.00 0.00 H new ATOM 583 N GLN A 39 -0.493 -9.774 6.967 1.00 0.00 N ATOM 584 CA GLN A 39 0.445 -10.818 7.345 1.00 0.00 C ATOM 585 C GLN A 39 1.762 -10.617 6.596 1.00 0.00 C ATOM 586 O GLN A 39 2.816 -10.822 7.185 1.00 0.00 O ATOM 587 CB GLN A 39 -0.074 -12.243 7.126 1.00 0.00 C ATOM 588 CG GLN A 39 -1.481 -12.535 7.657 1.00 0.00 C ATOM 589 CD GLN A 39 -1.780 -11.968 9.047 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.351 -12.499 10.062 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.551 -10.891 9.114 1.00 0.00 N ATOM 0 H GLN A 39 -1.280 -10.100 6.406 1.00 0.00 H new ATOM 0 HA GLN A 39 0.592 -10.721 8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.060 -12.453 6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.622 -12.938 7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.209 -12.132 6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.626 -13.615 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.901 -10.460 8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.794 -10.494 10.021 1.00 0.00 H new ATOM 600 N LEU A 40 1.726 -10.168 5.331 1.00 0.00 N ATOM 601 CA LEU A 40 2.950 -9.777 4.622 1.00 0.00 C ATOM 602 C LEU A 40 3.644 -8.590 5.324 1.00 0.00 C ATOM 603 O LEU A 40 4.874 -8.570 5.399 1.00 0.00 O ATOM 604 CB LEU A 40 2.697 -9.478 3.132 1.00 0.00 C ATOM 605 CG LEU A 40 1.857 -10.511 2.348 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.684 -10.044 0.898 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.411 -11.937 2.346 1.00 0.00 C ATOM 0 H LEU A 40 0.870 -10.068 4.785 1.00 0.00 H new ATOM 0 HA LEU A 40 3.624 -10.633 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.200 -8.510 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.663 -9.379 2.636 1.00 0.00 H new ATOM 0 HG LEU A 40 0.905 -10.560 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.091 -10.775 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.175 -9.080 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.663 -9.944 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.749 -12.584 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.404 -11.941 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.475 -12.304 3.370 1.00 0.00 H new ATOM 619 N PHE A 41 2.883 -7.646 5.912 1.00 0.00 N ATOM 620 CA PHE A 41 3.440 -6.603 6.791 1.00 0.00 C ATOM 621 C PHE A 41 4.125 -7.247 7.993 1.00 0.00 C ATOM 622 O PHE A 41 5.294 -6.986 8.263 1.00 0.00 O ATOM 623 CB PHE A 41 2.382 -5.590 7.276 1.00 0.00 C ATOM 624 CG PHE A 41 2.184 -4.352 6.423 1.00 0.00 C ATOM 625 CD1 PHE A 41 2.930 -3.190 6.698 1.00 0.00 C ATOM 626 CD2 PHE A 41 1.211 -4.329 5.407 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.738 -2.026 5.935 1.00 0.00 C ATOM 628 CE2 PHE A 41 1.010 -3.162 4.652 1.00 0.00 C ATOM 629 CZ PHE A 41 1.791 -2.023 4.900 1.00 0.00 C ATOM 0 H PHE A 41 1.872 -7.586 5.791 1.00 0.00 H new ATOM 0 HA PHE A 41 4.164 -6.046 6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.426 -6.107 7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.653 -5.270 8.282 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.654 -3.193 7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.618 -5.209 5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.316 -1.138 6.144 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.254 -3.141 3.881 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.663 -1.140 4.291 1.00 0.00 H new ATOM 639 N LEU A 42 3.387 -8.094 8.714 1.00 0.00 N ATOM 640 CA LEU A 42 3.870 -8.772 9.911 1.00 0.00 C ATOM 641 C LEU A 42 5.076 -9.682 9.623 1.00 0.00 C ATOM 642 O LEU A 42 5.892 -9.895 10.516 1.00 0.00 O ATOM 643 CB LEU A 42 2.701 -9.560 10.518 1.00 0.00 C ATOM 644 CG LEU A 42 1.666 -8.675 11.247 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.366 -9.458 11.469 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.192 -8.177 12.602 1.00 0.00 C ATOM 0 H LEU A 42 2.423 -8.329 8.476 1.00 0.00 H new ATOM 0 HA LEU A 42 4.229 -8.029 10.623 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.198 -10.114 9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.096 -10.295 11.220 1.00 0.00 H new ATOM 0 HG LEU A 42 1.478 -7.808 10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.357 -8.825 11.984 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.042 -9.766 10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.572 -10.340 12.075 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.433 -7.558 13.082 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.420 -9.031 13.240 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.096 -7.588 12.447 1.00 0.00 H new ATOM 658 N SER A 43 5.198 -10.196 8.395 1.00 0.00 N ATOM 659 CA SER A 43 6.353 -10.909 7.877 1.00 0.00 C ATOM 660 C SER A 43 7.536 -9.949 7.719 1.00 0.00 C ATOM 661 O SER A 43 8.534 -10.084 8.425 1.00 0.00 O ATOM 662 CB SER A 43 5.971 -11.577 6.544 1.00 0.00 C ATOM 663 OG SER A 43 7.028 -12.344 6.009 1.00 0.00 O ATOM 0 H SER A 43 4.451 -10.118 7.705 1.00 0.00 H new ATOM 0 HA SER A 43 6.661 -11.687 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.101 -12.216 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.681 -10.810 5.826 1.00 0.00 H new ATOM 0 HG SER A 43 6.742 -12.751 5.165 1.00 0.00 H new ATOM 669 N THR A 44 7.442 -9.005 6.773 1.00 0.00 N ATOM 670 CA THR A 44 8.537 -8.143 6.362 1.00 0.00 C ATOM 671 C THR A 44 8.111 -6.745 5.929 1.00 0.00 C ATOM 672 O THR A 44 8.895 -5.809 6.088 1.00 0.00 O ATOM 673 CB THR A 44 9.343 -8.782 5.209 1.00 0.00 C ATOM 674 OG1 THR A 44 8.511 -9.254 4.163 1.00 0.00 O ATOM 675 CG2 THR A 44 10.193 -9.963 5.676 1.00 0.00 C ATOM 0 H THR A 44 6.577 -8.822 6.265 1.00 0.00 H new ATOM 0 HA THR A 44 9.150 -8.036 7.257 1.00 0.00 H new ATOM 0 HB THR A 44 9.984 -7.979 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.228 -8.500 3.605 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.739 -10.376 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.900 -9.625 6.433 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.547 -10.731 6.100 1.00 0.00 H new ATOM 683 N LEU A 45 6.937 -6.612 5.307 1.00 0.00 N ATOM 684 CA LEU A 45 6.618 -5.439 4.510 1.00 0.00 C ATOM 685 C LEU A 45 6.444 -4.196 5.390 1.00 0.00 C ATOM 686 O LEU A 45 5.757 -4.247 6.408 1.00 0.00 O ATOM 687 CB LEU A 45 5.399 -5.748 3.617 1.00 0.00 C ATOM 688 CG LEU A 45 5.085 -4.665 2.567 1.00 0.00 C ATOM 689 CD1 LEU A 45 4.566 -5.310 1.278 1.00 0.00 C ATOM 690 CD2 LEU A 45 4.002 -3.703 3.057 1.00 0.00 C ATOM 0 H LEU A 45 6.193 -7.309 5.344 1.00 0.00 H new ATOM 0 HA LEU A 45 7.451 -5.200 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.571 -6.694 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.524 -5.884 4.253 1.00 0.00 H new ATOM 0 HG LEU A 45 6.013 -4.121 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.348 -4.533 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.323 -5.984 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.657 -5.872 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.807 -2.953 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.087 -4.259 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.339 -3.210 3.969 1.00 0.00 H new ATOM 702 N SER A 46 6.990 -3.056 4.959 1.00 0.00 N ATOM 703 CA SER A 46 6.578 -1.741 5.424 1.00 0.00 C ATOM 704 C SER A 46 6.053 -0.934 4.237 1.00 0.00 C ATOM 705 O SER A 46 6.147 -1.352 3.081 1.00 0.00 O ATOM 706 CB SER A 46 7.700 -1.054 6.221 1.00 0.00 C ATOM 707 OG SER A 46 8.947 -0.984 5.553 1.00 0.00 O ATOM 0 H SER A 46 7.740 -3.026 4.268 1.00 0.00 H new ATOM 0 HA SER A 46 5.756 -1.828 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.381 -0.042 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.837 -1.587 7.162 1.00 0.00 H new ATOM 0 HG SER A 46 9.009 -0.137 5.063 1.00 0.00 H new ATOM 713 N PHE A 47 5.466 0.224 4.525 1.00 0.00 N ATOM 714 CA PHE A 47 5.042 1.181 3.524 1.00 0.00 C ATOM 715 C PHE A 47 5.912 2.406 3.696 1.00 0.00 C ATOM 716 O PHE A 47 6.360 2.712 4.809 1.00 0.00 O ATOM 717 CB PHE A 47 3.565 1.552 3.699 1.00 0.00 C ATOM 718 CG PHE A 47 2.924 2.053 2.415 1.00 0.00 C ATOM 719 CD1 PHE A 47 3.030 3.408 2.042 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.248 1.156 1.567 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.494 3.858 0.824 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.697 1.612 0.356 1.00 0.00 C ATOM 723 CZ PHE A 47 1.830 2.957 -0.024 1.00 0.00 C ATOM 0 H PHE A 47 5.271 0.523 5.480 1.00 0.00 H new ATOM 0 HA PHE A 47 5.146 0.756 2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.017 0.680 4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.477 2.321 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.528 4.106 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.152 0.117 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.592 4.895 0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.168 0.923 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.423 3.297 -0.965 1.00 0.00 H new ATOM 733 N VAL A 48 6.084 3.141 2.601 1.00 0.00 N ATOM 734 CA VAL A 48 6.866 4.345 2.598 1.00 0.00 C ATOM 735 C VAL A 48 6.079 5.408 1.817 1.00 0.00 C ATOM 736 O VAL A 48 5.831 5.269 0.620 1.00 0.00 O ATOM 737 CB VAL A 48 8.320 3.967 2.225 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.786 4.301 0.829 1.00 0.00 C ATOM 739 CG2 VAL A 48 9.332 4.478 3.254 1.00 0.00 C ATOM 0 H VAL A 48 5.678 2.906 1.695 1.00 0.00 H new ATOM 0 HA VAL A 48 7.017 4.845 3.555 1.00 0.00 H new ATOM 0 HB VAL A 48 8.278 2.878 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.821 3.982 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.157 3.786 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.717 5.377 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.338 4.189 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.270 5.564 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.109 4.045 4.229 1.00 0.00 H new ATOM 749 N CYS A 49 5.528 6.389 2.549 1.00 0.00 N ATOM 750 CA CYS A 49 4.527 7.341 2.065 1.00 0.00 C ATOM 751 C CYS A 49 5.044 8.089 0.828 1.00 0.00 C ATOM 752 O CYS A 49 6.224 8.444 0.794 1.00 0.00 O ATOM 753 CB CYS A 49 4.161 8.316 3.200 1.00 0.00 C ATOM 754 SG CYS A 49 5.523 8.983 4.211 1.00 0.00 S ATOM 0 H CYS A 49 5.778 6.543 3.526 1.00 0.00 H new ATOM 0 HA CYS A 49 3.629 6.802 1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.626 9.158 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.464 7.809 3.867 1.00 0.00 H new ATOM 0 HG CYS A 49 6.157 8.004 4.784 1.00 0.00 H new ATOM 759 N PRO A 50 4.187 8.401 -0.167 1.00 0.00 N ATOM 760 CA PRO A 50 4.654 8.969 -1.431 1.00 0.00 C ATOM 761 C PRO A 50 5.343 10.328 -1.255 1.00 0.00 C ATOM 762 O PRO A 50 6.238 10.655 -2.035 1.00 0.00 O ATOM 763 CB PRO A 50 3.425 9.039 -2.343 1.00 0.00 C ATOM 764 CG PRO A 50 2.244 9.038 -1.373 1.00 0.00 C ATOM 765 CD PRO A 50 2.747 8.165 -0.225 1.00 0.00 C ATOM 0 HA PRO A 50 5.429 8.343 -1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.435 9.939 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.384 8.188 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.997 10.045 -1.037 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.345 8.625 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.266 8.435 0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.527 7.113 -0.405 1.00 0.00 H new ATOM 773 N TRP A 51 4.994 11.083 -0.204 1.00 0.00 N ATOM 774 CA TRP A 51 5.716 12.280 0.208 1.00 0.00 C ATOM 775 C TRP A 51 7.181 11.928 0.476 1.00 0.00 C ATOM 776 O TRP A 51 8.074 12.428 -0.216 1.00 0.00 O ATOM 777 CB TRP A 51 5.046 12.923 1.441 1.00 0.00 C ATOM 778 CG TRP A 51 5.950 13.769 2.294 1.00 0.00 C ATOM 779 CD1 TRP A 51 6.870 14.643 1.827 1.00 0.00 C ATOM 780 CD2 TRP A 51 6.139 13.737 3.744 1.00 0.00 C ATOM 781 NE1 TRP A 51 7.656 15.095 2.864 1.00 0.00 N ATOM 782 CE2 TRP A 51 7.241 14.583 4.075 1.00 0.00 C ATOM 783 CE3 TRP A 51 5.515 13.052 4.810 1.00 0.00 C ATOM 784 CZ2 TRP A 51 7.705 14.732 5.392 1.00 0.00 C ATOM 785 CZ3 TRP A 51 5.962 13.206 6.137 1.00 0.00 C ATOM 786 CH2 TRP A 51 7.055 14.042 6.428 1.00 0.00 C ATOM 0 H TRP A 51 4.190 10.871 0.387 1.00 0.00 H new ATOM 0 HA TRP A 51 5.684 13.017 -0.594 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.213 13.538 1.102 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.626 12.131 2.060 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.973 14.942 0.794 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.447 15.729 2.750 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.680 12.398 4.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.551 15.369 5.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 5.462 12.679 6.936 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.394 14.153 7.447 1.00 0.00 H new ATOM 797 N CYS A 52 7.434 11.080 1.480 1.00 0.00 N ATOM 798 CA CYS A 52 8.796 10.778 1.883 1.00 0.00 C ATOM 799 C CYS A 52 9.535 10.042 0.778 1.00 0.00 C ATOM 800 O CYS A 52 10.745 10.208 0.662 1.00 0.00 O ATOM 801 CB CYS A 52 8.829 9.955 3.165 1.00 0.00 C ATOM 802 SG CYS A 52 8.718 8.168 2.984 1.00 0.00 S ATOM 0 H CYS A 52 6.714 10.599 2.019 1.00 0.00 H new ATOM 0 HA CYS A 52 9.296 11.728 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.754 10.186 3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.007 10.284 3.801 1.00 0.00 H new ATOM 0 HG CYS A 52 8.256 7.648 4.083 1.00 0.00 H new ATOM 807 N ALA A 53 8.817 9.242 -0.020 1.00 0.00 N ATOM 808 CA ALA A 53 9.412 8.495 -1.103 1.00 0.00 C ATOM 809 C ALA A 53 9.914 9.446 -2.196 1.00 0.00 C ATOM 810 O ALA A 53 10.968 9.205 -2.779 1.00 0.00 O ATOM 811 CB ALA A 53 8.397 7.501 -1.675 1.00 0.00 C ATOM 0 H ALA A 53 7.811 9.104 0.077 1.00 0.00 H new ATOM 0 HA ALA A 53 10.266 7.937 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.855 6.942 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.084 6.809 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.528 8.043 -2.049 1.00 0.00 H new ATOM 817 N THR A 54 9.167 10.530 -2.452 1.00 0.00 N ATOM 818 CA THR A 54 9.542 11.578 -3.396 1.00 0.00 C ATOM 819 C THR A 54 10.694 12.424 -2.837 1.00 0.00 C ATOM 820 O THR A 54 11.597 12.789 -3.584 1.00 0.00 O ATOM 821 CB THR A 54 8.315 12.454 -3.720 1.00 0.00 C ATOM 822 OG1 THR A 54 7.229 11.653 -4.139 1.00 0.00 O ATOM 823 CG2 THR A 54 8.591 13.460 -4.842 1.00 0.00 C ATOM 0 H THR A 54 8.270 10.700 -1.997 1.00 0.00 H new ATOM 0 HA THR A 54 9.890 11.115 -4.319 1.00 0.00 H new ATOM 0 HB THR A 54 8.082 12.991 -2.801 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.694 11.394 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.694 14.051 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.406 14.121 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.870 12.925 -5.750 1.00 0.00 H new ATOM 831 N ASN A 55 10.662 12.761 -1.538 1.00 0.00 N ATOM 832 CA ASN A 55 11.724 13.546 -0.889 1.00 0.00 C ATOM 833 C ASN A 55 13.034 12.760 -0.825 1.00 0.00 C ATOM 834 O ASN A 55 14.099 13.324 -1.063 1.00 0.00 O ATOM 835 CB ASN A 55 11.307 13.951 0.541 1.00 0.00 C ATOM 836 CG ASN A 55 10.271 15.069 0.618 1.00 0.00 C ATOM 837 OD1 ASN A 55 10.093 15.696 1.657 1.00 0.00 O ATOM 838 ND2 ASN A 55 9.546 15.330 -0.460 1.00 0.00 N ATOM 0 H ASN A 55 9.902 12.498 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 55 11.878 14.442 -1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.910 13.073 1.050 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.197 14.262 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.832 16.058 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.702 14.803 -1.319 1.00 0.00 H new ATOM 940 N PRO B 7 17.223 -4.967 -0.097 1.00 0.00 N ATOM 941 CA PRO B 7 16.355 -5.353 -1.214 1.00 0.00 C ATOM 942 C PRO B 7 14.887 -5.500 -0.792 1.00 0.00 C ATOM 943 O PRO B 7 14.276 -6.558 -0.954 1.00 0.00 O ATOM 944 CB PRO B 7 16.979 -6.644 -1.758 1.00 0.00 C ATOM 945 CG PRO B 7 17.540 -7.300 -0.499 1.00 0.00 C ATOM 946 CD PRO B 7 18.050 -6.101 0.298 1.00 0.00 C ATOM 0 HA PRO B 7 16.307 -4.587 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO B 7 16.239 -7.276 -2.249 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.760 -6.439 -2.491 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.775 -7.854 0.045 1.00 0.00 H new ATOM 0 HG3 PRO B 7 18.340 -8.004 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.972 -6.285 1.370 1.00 0.00 H new ATOM 0 HD3 PRO B 7 19.101 -5.910 0.083 1.00 0.00 H new ATOM 954 N GLN B 8 14.320 -4.417 -0.259 1.00 0.00 N ATOM 955 CA GLN B 8 12.960 -4.331 0.228 1.00 0.00 C ATOM 956 C GLN B 8 12.264 -3.111 -0.372 1.00 0.00 C ATOM 957 O GLN B 8 11.172 -3.275 -0.898 1.00 0.00 O ATOM 958 CB GLN B 8 12.930 -4.313 1.768 1.00 0.00 C ATOM 959 CG GLN B 8 13.021 -5.707 2.420 1.00 0.00 C ATOM 960 CD GLN B 8 14.363 -6.417 2.233 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.423 -5.829 2.411 1.00 0.00 O ATOM 962 NE2 GLN B 8 14.360 -7.697 1.878 1.00 0.00 N ATOM 0 H GLN B 8 14.828 -3.539 -0.154 1.00 0.00 H new ATOM 0 HA GLN B 8 12.412 -5.217 -0.091 1.00 0.00 H new ATOM 0 HB2 GLN B 8 13.757 -3.701 2.129 1.00 0.00 H new ATOM 0 HB3 GLN B 8 12.009 -3.830 2.096 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.825 -5.607 3.487 1.00 0.00 H new ATOM 0 HG3 GLN B 8 12.232 -6.337 2.009 1.00 0.00 H new ATOM 0 HE21 GLN B 8 13.476 -8.183 1.731 1.00 0.00 H new ATOM 0 HE22 GLN B 8 15.242 -8.194 1.753 1.00 0.00 H new ATOM 971 N ARG B 9 12.829 -1.897 -0.284 1.00 0.00 N ATOM 972 CA ARG B 9 12.164 -0.654 -0.680 1.00 0.00 C ATOM 973 C ARG B 9 11.826 -0.652 -2.178 1.00 0.00 C ATOM 974 O ARG B 9 12.666 -0.278 -2.996 1.00 0.00 O ATOM 975 CB ARG B 9 13.028 0.542 -0.239 1.00 0.00 C ATOM 976 CG ARG B 9 12.313 1.890 -0.395 1.00 0.00 C ATOM 977 CD ARG B 9 12.888 2.782 -1.500 1.00 0.00 C ATOM 978 NE ARG B 9 14.248 3.259 -1.187 1.00 0.00 N ATOM 979 CZ ARG B 9 14.838 4.365 -1.665 1.00 0.00 C ATOM 980 NH1 ARG B 9 14.199 5.225 -2.457 1.00 0.00 N ATOM 981 NH2 ARG B 9 16.102 4.642 -1.355 1.00 0.00 N ATOM 0 H ARG B 9 13.775 -1.753 0.070 1.00 0.00 H new ATOM 0 HA ARG B 9 11.203 -0.568 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.317 0.409 0.804 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.947 0.555 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.259 1.707 -0.603 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.363 2.427 0.552 1.00 0.00 H new ATOM 0 HD2 ARG B 9 12.908 2.227 -2.438 1.00 0.00 H new ATOM 0 HD3 ARG B 9 12.231 3.639 -1.650 1.00 0.00 H new ATOM 0 HE ARG B 9 14.796 2.690 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG B 9 13.228 5.053 -2.719 1.00 0.00 H new ATOM 0 HH12 ARG B 9 14.680 6.056 -2.801 1.00 0.00 H new ATOM 0 HH21 ARG B 9 16.629 4.012 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG B 9 16.544 5.485 -1.722 1.00 0.00 H new ATOM 995 N HIS B 10 10.609 -1.073 -2.541 1.00 0.00 N ATOM 996 CA HIS B 10 10.202 -1.398 -3.901 1.00 0.00 C ATOM 997 C HIS B 10 8.937 -0.629 -4.285 1.00 0.00 C ATOM 998 O HIS B 10 8.403 0.147 -3.495 1.00 0.00 O ATOM 999 CB HIS B 10 10.000 -2.917 -4.028 1.00 0.00 C ATOM 1000 CG HIS B 10 11.237 -3.769 -3.844 1.00 0.00 C ATOM 1001 ND1 HIS B 10 11.293 -5.061 -3.374 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.523 -3.365 -4.048 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.587 -5.424 -3.334 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.380 -4.423 -3.742 1.00 0.00 N ATOM 0 H HIS B 10 9.856 -1.200 -1.865 1.00 0.00 H new ATOM 0 HA HIS B 10 10.987 -1.095 -4.594 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.257 -3.227 -3.293 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.582 -3.127 -5.013 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.497 -5.639 -3.105 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.828 -2.387 -4.390 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.941 -6.393 -3.015 1.00 0.00 H new ATOM 1012 N LYS B 11 8.505 -0.766 -5.544 1.00 0.00 N ATOM 1013 CA LYS B 11 7.606 0.165 -6.206 1.00 0.00 C ATOM 1014 C LYS B 11 6.658 -0.598 -7.122 1.00 0.00 C ATOM 1015 O LYS B 11 7.028 -0.938 -8.245 1.00 0.00 O ATOM 1016 CB LYS B 11 8.433 1.187 -6.990 1.00 0.00 C ATOM 1017 CG LYS B 11 9.139 2.199 -6.070 1.00 0.00 C ATOM 1018 CD LYS B 11 10.246 2.982 -6.775 1.00 0.00 C ATOM 1019 CE LYS B 11 9.709 3.546 -8.089 1.00 0.00 C ATOM 1020 NZ LYS B 11 10.327 4.821 -8.501 1.00 0.00 N ATOM 0 H LYS B 11 8.782 -1.548 -6.138 1.00 0.00 H new ATOM 0 HA LYS B 11 7.005 0.696 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.178 0.664 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.783 1.722 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.402 2.899 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.564 1.670 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS B 11 10.598 3.792 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.100 2.333 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS B 11 9.864 2.809 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS B 11 8.633 3.691 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 9.670 5.342 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.539 5.392 -7.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.208 4.628 -9.020 1.00 0.00 H new ATOM 1034 N ILE B 12 5.440 -0.867 -6.651 1.00 0.00 N ATOM 1035 CA ILE B 12 4.381 -1.396 -7.501 1.00 0.00 C ATOM 1036 C ILE B 12 3.703 -0.187 -8.136 1.00 0.00 C ATOM 1037 O ILE B 12 2.853 0.450 -7.526 1.00 0.00 O ATOM 1038 CB ILE B 12 3.384 -2.288 -6.728 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.117 -3.398 -5.951 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.348 -2.855 -7.721 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.186 -4.201 -5.042 1.00 0.00 C ATOM 0 H ILE B 12 5.165 -0.725 -5.679 1.00 0.00 H new ATOM 0 HA ILE B 12 4.796 -2.057 -8.262 1.00 0.00 H new ATOM 0 HB ILE B 12 2.859 -1.692 -5.982 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.597 -4.074 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE B 12 4.908 -2.952 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE B 12 1.639 -3.487 -7.186 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.814 -2.033 -8.198 1.00 0.00 H new ATOM 0 HG23 ILE B 12 2.858 -3.446 -8.481 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.759 -4.968 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.725 -3.534 -4.313 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.409 -4.674 -5.643 1.00 0.00 H new ATOM 1053 N LEU B 13 4.084 0.173 -9.355 1.00 0.00 N ATOM 1054 CA LEU B 13 3.325 1.139 -10.121 1.00 0.00 C ATOM 1055 C LEU B 13 1.965 0.535 -10.450 1.00 0.00 C ATOM 1056 O LEU B 13 1.872 -0.382 -11.265 1.00 0.00 O ATOM 1057 CB LEU B 13 4.095 1.607 -11.355 1.00 0.00 C ATOM 1058 CG LEU B 13 3.434 2.865 -11.957 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.532 3.754 -12.533 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.398 2.555 -13.047 1.00 0.00 C ATOM 0 H LEU B 13 4.911 -0.190 -9.828 1.00 0.00 H new ATOM 0 HA LEU B 13 3.163 2.042 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.128 1.825 -11.085 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.121 0.811 -12.099 1.00 0.00 H new ATOM 0 HG LEU B 13 2.890 3.364 -11.155 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.086 4.650 -12.964 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.223 4.039 -11.740 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.072 3.209 -13.307 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.976 3.487 -13.423 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.880 2.019 -13.865 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.602 1.939 -12.628 1.00 0.00 H new ATOM 1072 N CYS B 14 0.926 1.049 -9.795 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.464 0.723 -10.057 1.00 0.00 C ATOM 1074 C CYS B 14 -1.193 2.013 -10.458 1.00 0.00 C ATOM 1075 O CYS B 14 -0.565 3.038 -10.746 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.051 0.028 -8.815 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.116 -1.361 -9.300 1.00 0.00 S ATOM 0 H CYS B 14 1.039 1.727 -9.042 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.580 0.023 -10.885 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.243 -0.332 -8.178 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.625 0.745 -8.228 1.00 0.00 H new ATOM 0 HG CYS B 14 -2.439 -2.049 -8.245 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.526 1.977 -10.477 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.353 3.159 -10.656 1.00 0.00 C ATOM 1085 C VAL B 15 -4.337 3.251 -9.498 1.00 0.00 C ATOM 1086 O VAL B 15 -4.692 2.239 -8.887 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.055 3.174 -12.032 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.032 3.349 -13.164 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -4.907 1.921 -12.290 1.00 0.00 C ATOM 0 H VAL B 15 -3.062 1.116 -10.367 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.719 4.045 -10.648 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.734 4.027 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.549 3.357 -14.124 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.500 4.291 -13.031 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.320 2.524 -13.142 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.373 1.994 -13.273 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.272 1.036 -12.254 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.681 1.844 -11.526 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.771 4.475 -9.202 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.835 4.730 -8.256 1.00 0.00 C ATOM 1101 C CYS B 16 -7.151 4.275 -8.875 1.00 0.00 C ATOM 1102 O CYS B 16 -7.467 4.685 -9.992 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.911 6.226 -7.939 1.00 0.00 C ATOM 1104 SG CYS B 16 -7.025 6.388 -6.520 1.00 0.00 S ATOM 0 H CYS B 16 -4.384 5.321 -9.621 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.643 4.186 -7.331 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -4.924 6.625 -7.706 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.287 6.786 -8.795 1.00 0.00 H new ATOM 0 HG CYS B 16 -6.457 7.114 -5.603 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.950 3.518 -8.117 1.00 0.00 N ATOM 1110 CA CYS B 17 -9.250 3.008 -8.551 1.00 0.00 C ATOM 1111 C CYS B 17 -10.192 4.117 -9.054 1.00 0.00 C ATOM 1112 O CYS B 17 -11.032 3.874 -9.917 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.859 2.258 -7.360 1.00 0.00 C ATOM 1114 SG CYS B 17 -11.398 1.404 -7.782 1.00 0.00 S ATOM 0 H CYS B 17 -7.705 3.238 -7.167 1.00 0.00 H new ATOM 0 HA CYS B 17 -9.113 2.345 -9.405 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -9.137 1.532 -6.986 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -10.050 2.964 -6.551 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.720 0.589 -6.821 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.055 5.337 -8.518 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.027 6.417 -8.661 1.00 0.00 C ATOM 1122 C LYS B 18 -10.447 7.732 -9.168 1.00 0.00 C ATOM 1123 O LYS B 18 -11.187 8.519 -9.748 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.764 6.594 -7.332 1.00 0.00 C ATOM 1125 CG LYS B 18 -10.864 6.705 -6.076 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.651 6.333 -4.815 1.00 0.00 C ATOM 1127 CE LYS B 18 -11.941 4.824 -4.844 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.651 4.324 -3.657 1.00 0.00 N ATOM 0 H LYS B 18 -9.243 5.602 -7.960 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.725 6.122 -9.445 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.380 7.491 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.442 5.751 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.002 6.047 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.480 7.721 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.080 6.591 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.583 6.896 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.533 4.596 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.998 4.286 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.544 3.291 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.251 4.763 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.660 4.564 -3.730 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.140 7.959 -9.010 1.00 0.00 N ATOM 1143 CA CYS B 19 -8.461 9.015 -9.746 1.00 0.00 C ATOM 1144 C CYS B 19 -8.086 8.555 -11.156 1.00 0.00 C ATOM 1145 O CYS B 19 -7.753 9.407 -11.974 1.00 0.00 O ATOM 1146 CB CYS B 19 -7.221 9.501 -9.024 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.314 9.695 -7.227 1.00 0.00 S ATOM 0 H CYS B 19 -8.539 7.426 -8.382 1.00 0.00 H new ATOM 0 HA CYS B 19 -9.164 9.845 -9.817 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.411 8.806 -9.245 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -6.940 10.464 -9.451 1.00 0.00 H new ATOM 0 HG CYS B 19 -7.227 8.529 -6.660 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.090 7.233 -11.413 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.578 6.598 -12.630 1.00 0.00 C ATOM 1154 C ASP B 20 -6.206 7.177 -13.010 1.00 0.00 C ATOM 1155 O ASP B 20 -5.932 7.551 -14.149 1.00 0.00 O ATOM 1156 CB ASP B 20 -8.645 6.660 -13.727 1.00 0.00 C ATOM 1157 CG ASP B 20 -8.248 5.863 -14.977 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.610 4.798 -14.802 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -8.642 6.293 -16.083 1.00 0.00 O ATOM 0 H ASP B 20 -8.466 6.557 -10.749 1.00 0.00 H new ATOM 0 HA ASP B 20 -7.387 5.538 -12.464 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.586 6.273 -13.337 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -8.818 7.700 -14.003 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.349 7.309 -11.991 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.071 7.991 -12.064 1.00 0.00 C ATOM 1166 C GLY B 21 -2.971 7.112 -11.496 1.00 0.00 C ATOM 1167 O GLY B 21 -3.213 6.319 -10.589 1.00 0.00 O ATOM 0 H GLY B 21 -5.542 6.927 -11.065 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -3.845 8.244 -13.100 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.119 8.928 -11.510 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.761 7.292 -12.025 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.544 6.548 -11.732 1.00 0.00 C ATOM 1173 C ARG B 22 -0.209 6.686 -10.253 1.00 0.00 C ATOM 1174 O ARG B 22 0.148 7.785 -9.828 1.00 0.00 O ATOM 1175 CB ARG B 22 0.557 7.123 -12.647 1.00 0.00 C ATOM 1176 CG ARG B 22 1.974 6.553 -12.460 1.00 0.00 C ATOM 1177 CD ARG B 22 2.949 7.516 -11.751 1.00 0.00 C ATOM 1178 NE ARG B 22 4.347 7.152 -12.052 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.409 7.231 -11.239 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.368 7.940 -10.112 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.513 6.553 -11.555 1.00 0.00 N ATOM 0 H ARG B 22 -1.598 8.018 -12.722 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.651 5.481 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.258 6.961 -13.683 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.600 8.201 -12.492 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.910 5.629 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.382 6.293 -13.437 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.756 8.540 -12.073 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.783 7.484 -10.674 1.00 0.00 H new ATOM 0 HE ARG B 22 4.526 6.798 -12.992 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.516 8.437 -9.853 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.189 7.986 -9.508 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.539 5.987 -12.403 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.332 6.601 -10.949 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.273 5.587 -9.489 1.00 0.00 N ATOM 1196 CA ILE B 23 0.277 5.560 -8.142 1.00 0.00 C ATOM 1197 C ILE B 23 1.478 4.622 -8.151 1.00 0.00 C ATOM 1198 O ILE B 23 1.363 3.428 -8.419 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.705 5.139 -7.027 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -2.130 5.722 -7.108 1.00 0.00 C ATOM 1201 CG2 ILE B 23 -0.036 5.600 -5.711 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -3.075 4.998 -6.135 1.00 0.00 C ATOM 0 H ILE B 23 -0.701 4.710 -9.787 1.00 0.00 H new ATOM 0 HA ILE B 23 0.544 6.587 -7.894 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.868 4.065 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -2.106 6.786 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.508 5.628 -8.126 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.674 5.337 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE B 23 0.931 5.108 -5.603 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.107 6.680 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -4.074 5.427 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -3.115 3.938 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.707 5.114 -5.116 1.00 0.00 H new ATOM 1214 N GLU B 24 2.639 5.172 -7.826 1.00 0.00 N ATOM 1215 CA GLU B 24 3.874 4.444 -7.634 1.00 0.00 C ATOM 1216 C GLU B 24 3.928 3.947 -6.190 1.00 0.00 C ATOM 1217 O GLU B 24 4.420 4.636 -5.291 1.00 0.00 O ATOM 1218 CB GLU B 24 4.968 5.414 -8.045 1.00 0.00 C ATOM 1219 CG GLU B 24 6.400 4.927 -7.870 1.00 0.00 C ATOM 1220 CD GLU B 24 7.310 5.913 -8.619 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.221 7.134 -8.368 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.009 5.503 -9.575 1.00 0.00 O ATOM 0 H GLU B 24 2.745 6.177 -7.685 1.00 0.00 H new ATOM 0 HA GLU B 24 3.983 3.540 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.820 5.673 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.846 6.332 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.666 4.885 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.515 3.919 -8.268 1.00 0.00 H new ATOM 1229 N LEU B 25 3.342 2.765 -5.962 1.00 0.00 N ATOM 1230 CA LEU B 25 3.130 2.232 -4.627 1.00 0.00 C ATOM 1231 C LEU B 25 4.479 1.833 -4.041 1.00 0.00 C ATOM 1232 O LEU B 25 4.992 0.752 -4.343 1.00 0.00 O ATOM 1233 CB LEU B 25 2.185 1.024 -4.621 1.00 0.00 C ATOM 1234 CG LEU B 25 0.821 1.209 -5.307 1.00 0.00 C ATOM 1235 CD1 LEU B 25 0.027 -0.104 -5.277 1.00 0.00 C ATOM 1236 CD2 LEU B 25 0.019 2.296 -4.595 1.00 0.00 C ATOM 0 H LEU B 25 3.003 2.156 -6.707 1.00 0.00 H new ATOM 0 HA LEU B 25 2.658 3.008 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.697 0.190 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.008 0.736 -3.585 1.00 0.00 H new ATOM 0 HG LEU B 25 0.994 1.502 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.936 0.042 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.586 -0.879 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.134 -0.408 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.945 2.419 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.140 2.009 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.568 3.237 -4.632 1.00 0.00 H new ATOM 1248 N THR B 26 5.069 2.719 -3.242 1.00 0.00 N ATOM 1249 CA THR B 26 6.386 2.502 -2.676 1.00 0.00 C ATOM 1250 C THR B 26 6.205 1.667 -1.397 1.00 0.00 C ATOM 1251 O THR B 26 5.926 2.193 -0.317 1.00 0.00 O ATOM 1252 CB THR B 26 7.139 3.835 -2.549 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.973 4.619 -3.728 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.647 3.574 -2.421 1.00 0.00 C ATOM 0 H THR B 26 4.643 3.606 -2.972 1.00 0.00 H new ATOM 0 HA THR B 26 7.045 1.919 -3.320 1.00 0.00 H new ATOM 0 HB THR B 26 6.742 4.351 -1.675 1.00 0.00 H new ATOM 0 HG1 THR B 26 7.458 5.465 -3.629 1.00 0.00 H new ATOM 0 HG21 THR B 26 9.174 4.524 -2.331 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.837 2.968 -1.535 1.00 0.00 H new ATOM 0 HG23 THR B 26 9.001 3.045 -3.306 1.00 0.00 H new ATOM 1262 N VAL B 27 6.278 0.340 -1.557 1.00 0.00 N ATOM 1263 CA VAL B 27 6.012 -0.677 -0.535 1.00 0.00 C ATOM 1264 C VAL B 27 7.321 -1.451 -0.386 1.00 0.00 C ATOM 1265 O VAL B 27 7.999 -1.756 -1.370 1.00 0.00 O ATOM 1266 CB VAL B 27 4.792 -1.579 -0.916 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.607 -0.707 -1.333 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.101 -2.519 -2.098 1.00 0.00 C ATOM 0 H VAL B 27 6.538 -0.074 -2.452 1.00 0.00 H new ATOM 0 HA VAL B 27 5.720 -0.237 0.418 1.00 0.00 H new ATOM 0 HB VAL B 27 4.564 -2.175 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.762 -1.343 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.326 -0.055 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.887 -0.100 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.222 -3.123 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.367 -1.927 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.933 -3.173 -1.835 1.00 0.00 H new ATOM 1278 N GLU B 28 7.731 -1.711 0.847 1.00 0.00 N ATOM 1279 CA GLU B 28 9.100 -2.059 1.152 1.00 0.00 C ATOM 1280 C GLU B 28 9.102 -3.497 1.647 1.00 0.00 C ATOM 1281 O GLU B 28 8.838 -3.738 2.821 1.00 0.00 O ATOM 1282 CB GLU B 28 9.681 -1.075 2.168 1.00 0.00 C ATOM 1283 CG GLU B 28 9.476 0.414 1.923 1.00 0.00 C ATOM 1284 CD GLU B 28 9.945 1.128 3.188 1.00 0.00 C ATOM 1285 OE1 GLU B 28 9.222 0.986 4.209 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.022 1.758 3.136 1.00 0.00 O ATOM 0 H GLU B 28 7.118 -1.685 1.662 1.00 0.00 H new ATOM 0 HA GLU B 28 9.740 -1.990 0.272 1.00 0.00 H new ATOM 0 HB2 GLU B 28 9.257 -1.314 3.143 1.00 0.00 H new ATOM 0 HB3 GLU B 28 10.754 -1.258 2.233 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.046 0.747 1.055 1.00 0.00 H new ATOM 0 HG3 GLU B 28 8.428 0.633 1.719 1.00 0.00 H new ATOM 1293 N SER B 29 9.338 -4.459 0.751 1.00 0.00 N ATOM 1294 CA SER B 29 9.429 -5.870 1.105 1.00 0.00 C ATOM 1295 C SER B 29 10.155 -6.616 -0.002 1.00 0.00 C ATOM 1296 O SER B 29 10.221 -6.136 -1.136 1.00 0.00 O ATOM 1297 CB SER B 29 8.032 -6.461 1.277 1.00 0.00 C ATOM 1298 OG SER B 29 8.049 -7.570 2.153 1.00 0.00 O ATOM 0 H SER B 29 9.471 -4.276 -0.244 1.00 0.00 H new ATOM 0 HA SER B 29 9.975 -5.968 2.043 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.357 -5.698 1.665 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.642 -6.767 0.306 1.00 0.00 H new ATOM 0 HG SER B 29 7.178 -8.019 2.129 1.00 0.00 H new ATOM 1304 N SER B 30 10.674 -7.801 0.318 1.00 0.00 N ATOM 1305 CA SER B 30 11.415 -8.638 -0.612 1.00 0.00 C ATOM 1306 C SER B 30 10.585 -8.875 -1.879 1.00 0.00 C ATOM 1307 O SER B 30 9.356 -8.960 -1.815 1.00 0.00 O ATOM 1308 CB SER B 30 11.732 -9.960 0.090 1.00 0.00 C ATOM 1309 OG SER B 30 12.404 -9.711 1.313 1.00 0.00 O ATOM 0 H SER B 30 10.587 -8.209 1.249 1.00 0.00 H new ATOM 0 HA SER B 30 12.343 -8.151 -0.911 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.811 -10.512 0.278 1.00 0.00 H new ATOM 0 HB3 SER B 30 12.351 -10.584 -0.554 1.00 0.00 H new ATOM 0 HG SER B 30 12.602 -10.562 1.757 1.00 0.00 H new ATOM 1315 N ALA B 31 11.254 -8.996 -3.031 1.00 0.00 N ATOM 1316 CA ALA B 31 10.610 -8.934 -4.342 1.00 0.00 C ATOM 1317 C ALA B 31 9.409 -9.874 -4.473 1.00 0.00 C ATOM 1318 O ALA B 31 8.402 -9.501 -5.070 1.00 0.00 O ATOM 1319 CB ALA B 31 11.642 -9.249 -5.429 1.00 0.00 C ATOM 0 H ALA B 31 12.263 -9.140 -3.077 1.00 0.00 H new ATOM 0 HA ALA B 31 10.223 -7.922 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.165 -9.204 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.451 -8.519 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA B 31 12.046 -10.249 -5.268 1.00 0.00 H new ATOM 1325 N GLU B 32 9.494 -11.081 -3.909 1.00 0.00 N ATOM 1326 CA GLU B 32 8.450 -12.081 -4.057 1.00 0.00 C ATOM 1327 C GLU B 32 7.297 -11.903 -3.061 1.00 0.00 C ATOM 1328 O GLU B 32 6.174 -12.339 -3.322 1.00 0.00 O ATOM 1329 CB GLU B 32 9.075 -13.474 -3.960 1.00 0.00 C ATOM 1330 CG GLU B 32 8.600 -14.321 -5.151 1.00 0.00 C ATOM 1331 CD GLU B 32 9.329 -15.661 -5.261 1.00 0.00 C ATOM 1332 OE1 GLU B 32 9.249 -16.448 -4.294 1.00 0.00 O ATOM 1333 OE2 GLU B 32 9.944 -15.878 -6.330 1.00 0.00 O ATOM 0 H GLU B 32 10.285 -11.385 -3.342 1.00 0.00 H new ATOM 0 HA GLU B 32 7.997 -11.953 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.162 -13.399 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.789 -13.950 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU B 32 7.529 -14.503 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU B 32 8.747 -13.757 -6.072 1.00 0.00 H new ATOM 1340 N ASP B 33 7.543 -11.214 -1.947 1.00 0.00 N ATOM 1341 CA ASP B 33 6.526 -10.780 -1.008 1.00 0.00 C ATOM 1342 C ASP B 33 5.742 -9.613 -1.625 1.00 0.00 C ATOM 1343 O ASP B 33 4.507 -9.612 -1.626 1.00 0.00 O ATOM 1344 CB ASP B 33 7.214 -10.413 0.311 1.00 0.00 C ATOM 1345 CG ASP B 33 6.216 -10.025 1.393 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.632 -10.948 1.995 1.00 0.00 O ATOM 1347 OD2 ASP B 33 6.109 -8.800 1.641 1.00 0.00 O ATOM 0 H ASP B 33 8.485 -10.938 -1.671 1.00 0.00 H new ATOM 0 HA ASP B 33 5.805 -11.570 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.810 -11.258 0.655 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.903 -9.586 0.141 1.00 0.00 H new ATOM 1352 N LEU B 34 6.467 -8.697 -2.290 1.00 0.00 N ATOM 1353 CA LEU B 34 5.880 -7.657 -3.145 1.00 0.00 C ATOM 1354 C LEU B 34 5.002 -8.298 -4.218 1.00 0.00 C ATOM 1355 O LEU B 34 3.875 -7.884 -4.467 1.00 0.00 O ATOM 1356 CB LEU B 34 6.986 -6.766 -3.745 1.00 0.00 C ATOM 1357 CG LEU B 34 6.584 -5.987 -5.027 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.271 -4.624 -5.010 1.00 0.00 C ATOM 1359 CD2 LEU B 34 7.018 -6.667 -6.338 1.00 0.00 C ATOM 0 H LEU B 34 7.485 -8.659 -2.247 1.00 0.00 H new ATOM 0 HA LEU B 34 5.241 -7.009 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.303 -6.049 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.849 -7.391 -3.974 1.00 0.00 H new ATOM 0 HG LEU B 34 5.496 -5.932 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.996 -4.067 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.956 -4.069 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.352 -4.762 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.700 -6.060 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU B 34 8.103 -6.770 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.559 -7.653 -6.405 1.00 0.00 H new ATOM 1371 N ARG B 35 5.549 -9.319 -4.859 1.00 0.00 N ATOM 1372 CA ARG B 35 4.949 -10.046 -5.969 1.00 0.00 C ATOM 1373 C ARG B 35 3.683 -10.711 -5.488 1.00 0.00 C ATOM 1374 O ARG B 35 2.672 -10.612 -6.165 1.00 0.00 O ATOM 1375 CB ARG B 35 5.901 -11.099 -6.547 1.00 0.00 C ATOM 1376 CG ARG B 35 5.338 -11.709 -7.835 1.00 0.00 C ATOM 1377 CD ARG B 35 6.283 -12.755 -8.426 1.00 0.00 C ATOM 1378 NE ARG B 35 5.657 -13.404 -9.588 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.258 -14.226 -10.459 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.539 -14.564 -10.304 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.562 -14.707 -11.491 1.00 0.00 N ATOM 0 H ARG B 35 6.469 -9.682 -4.608 1.00 0.00 H new ATOM 0 HA ARG B 35 4.729 -9.335 -6.765 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.870 -10.644 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.067 -11.886 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.371 -12.168 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.166 -10.919 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.219 -12.283 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.529 -13.502 -7.671 1.00 0.00 H new ATOM 0 HE ARG B 35 4.668 -13.209 -9.746 1.00 0.00 H new ATOM 0 HH11 ARG B 35 8.072 -14.196 -9.516 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.986 -15.191 -10.974 1.00 0.00 H new ATOM 0 HH21 ARG B 35 4.583 -14.448 -11.611 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.009 -15.333 -12.160 1.00 0.00 H new ATOM 1395 N THR B 36 3.739 -11.386 -4.348 1.00 0.00 N ATOM 1396 CA THR B 36 2.590 -12.036 -3.734 1.00 0.00 C ATOM 1397 C THR B 36 1.465 -11.010 -3.553 1.00 0.00 C ATOM 1398 O THR B 36 0.350 -11.212 -4.050 1.00 0.00 O ATOM 1399 CB THR B 36 3.029 -12.711 -2.421 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.055 -13.648 -2.696 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.881 -13.462 -1.740 1.00 0.00 C ATOM 0 H THR B 36 4.601 -11.499 -3.814 1.00 0.00 H new ATOM 0 HA THR B 36 2.193 -12.825 -4.373 1.00 0.00 H new ATOM 0 HB THR B 36 3.373 -11.920 -1.754 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.918 -13.186 -2.735 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.242 -13.920 -0.819 1.00 0.00 H new ATOM 0 HG22 THR B 36 1.077 -12.764 -1.507 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.506 -14.237 -2.408 1.00 0.00 H new ATOM 1409 N LEU B 37 1.769 -9.861 -2.936 1.00 0.00 N ATOM 1410 CA LEU B 37 0.780 -8.796 -2.801 1.00 0.00 C ATOM 1411 C LEU B 37 0.332 -8.266 -4.181 1.00 0.00 C ATOM 1412 O LEU B 37 -0.840 -7.946 -4.372 1.00 0.00 O ATOM 1413 CB LEU B 37 1.266 -7.741 -1.788 1.00 0.00 C ATOM 1414 CG LEU B 37 1.691 -6.370 -2.350 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.507 -5.380 -2.311 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.845 -5.815 -1.515 1.00 0.00 C ATOM 0 H LEU B 37 2.680 -9.651 -2.529 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.142 -9.187 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.469 -7.577 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.112 -8.160 -1.243 1.00 0.00 H new ATOM 0 HG LEU B 37 2.009 -6.497 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.824 -4.417 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.314 -5.770 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.173 -5.252 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.147 -4.845 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.523 -5.700 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.689 -6.503 -1.558 1.00 0.00 H new ATOM 1428 N GLN B 38 1.215 -8.253 -5.188 1.00 0.00 N ATOM 1429 CA GLN B 38 0.844 -7.906 -6.548 1.00 0.00 C ATOM 1430 C GLN B 38 -0.103 -8.959 -7.139 1.00 0.00 C ATOM 1431 O GLN B 38 -0.951 -8.606 -7.954 1.00 0.00 O ATOM 1432 CB GLN B 38 2.101 -7.722 -7.400 1.00 0.00 C ATOM 1433 CG GLN B 38 1.811 -7.147 -8.789 1.00 0.00 C ATOM 1434 CD GLN B 38 3.125 -6.900 -9.520 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.432 -7.550 -10.510 1.00 0.00 O ATOM 1436 NE2 GLN B 38 3.955 -6.003 -9.003 1.00 0.00 N ATOM 0 H GLN B 38 2.202 -8.484 -5.074 1.00 0.00 H new ATOM 0 HA GLN B 38 0.303 -6.960 -6.542 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.792 -7.061 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.601 -8.684 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.190 -7.839 -9.358 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.251 -6.216 -8.699 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.681 -5.471 -8.177 1.00 0.00 H new ATOM 0 HE22 GLN B 38 4.867 -5.846 -9.432 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.011 -10.232 -6.727 1.00 0.00 N ATOM 1446 CA GLN B 39 -0.950 -11.256 -7.151 1.00 0.00 C ATOM 1447 C GLN B 39 -2.311 -10.992 -6.513 1.00 0.00 C ATOM 1448 O GLN B 39 -3.324 -11.185 -7.175 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.499 -12.690 -6.847 1.00 0.00 C ATOM 1450 CG GLN B 39 0.921 -13.063 -7.286 1.00 0.00 C ATOM 1451 CD GLN B 39 1.328 -12.548 -8.668 1.00 0.00 C ATOM 1452 OE1 GLN B 39 1.039 -13.152 -9.692 1.00 0.00 O ATOM 1453 NE2 GLN B 39 2.043 -11.433 -8.713 1.00 0.00 N ATOM 0 H GLN B 39 0.715 -10.569 -6.095 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.008 -11.188 -8.237 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.579 -12.853 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.197 -13.377 -7.326 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.626 -12.677 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.014 -14.149 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.276 -10.941 -7.850 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.361 -11.067 -9.610 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.349 -10.496 -5.266 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.592 -9.976 -4.681 1.00 0.00 C ATOM 1464 C LEU B 40 -4.189 -8.872 -5.564 1.00 0.00 C ATOM 1465 O LEU B 40 -5.383 -8.911 -5.874 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.403 -9.494 -3.233 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.656 -10.449 -2.282 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.381 -9.780 -0.932 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.391 -11.770 -2.050 1.00 0.00 C ATOM 0 H LEU B 40 -1.539 -10.445 -4.648 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.300 -10.804 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.865 -8.546 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.387 -9.292 -2.810 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.715 -10.680 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.853 -10.477 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.769 -8.891 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.325 -9.495 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.810 -12.395 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.369 -11.570 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.518 -12.288 -3.001 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.366 -7.916 -6.015 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.818 -6.844 -6.911 1.00 0.00 C ATOM 1483 C PHE B 41 -4.336 -7.412 -8.232 1.00 0.00 C ATOM 1484 O PHE B 41 -5.408 -7.031 -8.694 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.712 -5.804 -7.132 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.728 -4.678 -6.116 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -2.389 -4.913 -4.771 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -3.125 -3.388 -6.512 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.454 -3.872 -3.829 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -3.172 -2.343 -5.577 1.00 0.00 C ATOM 1491 CZ PHE B 41 -2.852 -2.588 -4.231 1.00 0.00 C ATOM 0 H PHE B 41 -2.377 -7.864 -5.772 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.651 -6.332 -6.430 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.743 -6.302 -7.095 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.816 -5.382 -8.132 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -2.077 -5.899 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.395 -3.201 -7.541 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -2.198 -4.060 -2.797 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -3.454 -1.349 -5.892 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.912 -1.789 -3.507 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.598 -8.353 -8.819 1.00 0.00 N ATOM 1502 CA LEU B 42 -3.994 -9.047 -10.037 1.00 0.00 C ATOM 1503 C LEU B 42 -5.256 -9.898 -9.836 1.00 0.00 C ATOM 1504 O LEU B 42 -5.975 -10.120 -10.807 1.00 0.00 O ATOM 1505 CB LEU B 42 -2.817 -9.911 -10.512 1.00 0.00 C ATOM 1506 CG LEU B 42 -1.700 -9.106 -11.210 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -0.418 -9.944 -11.288 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -2.109 -8.678 -12.628 1.00 0.00 C ATOM 0 H LEU B 42 -2.695 -8.657 -8.454 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.244 -8.307 -10.797 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.394 -10.436 -9.656 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.189 -10.671 -11.199 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.525 -8.208 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU B 42 0.364 -9.367 -11.782 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.094 -10.207 -10.281 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.612 -10.854 -11.856 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.297 -8.114 -13.086 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.320 -9.563 -13.228 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.001 -8.053 -12.577 1.00 0.00 H new ATOM 1520 N SER B 43 -5.536 -10.368 -8.613 1.00 0.00 N ATOM 1521 CA SER B 43 -6.760 -11.077 -8.280 1.00 0.00 C ATOM 1522 C SER B 43 -7.938 -10.097 -8.248 1.00 0.00 C ATOM 1523 O SER B 43 -8.896 -10.258 -9.003 1.00 0.00 O ATOM 1524 CB SER B 43 -6.574 -11.811 -6.940 1.00 0.00 C ATOM 1525 OG SER B 43 -7.622 -12.725 -6.700 1.00 0.00 O ATOM 0 H SER B 43 -4.903 -10.260 -7.821 1.00 0.00 H new ATOM 0 HA SER B 43 -6.984 -11.824 -9.041 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.622 -12.341 -6.944 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.531 -11.084 -6.129 1.00 0.00 H new ATOM 0 HG SER B 43 -7.473 -13.176 -5.843 1.00 0.00 H new ATOM 1531 N THR B 44 -7.884 -9.105 -7.350 1.00 0.00 N ATOM 1532 CA THR B 44 -9.003 -8.251 -6.991 1.00 0.00 C ATOM 1533 C THR B 44 -8.614 -6.840 -6.534 1.00 0.00 C ATOM 1534 O THR B 44 -9.429 -5.925 -6.636 1.00 0.00 O ATOM 1535 CB THR B 44 -9.809 -8.905 -5.848 1.00 0.00 C ATOM 1536 OG1 THR B 44 -8.939 -9.224 -4.776 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.554 -10.180 -6.256 1.00 0.00 C ATOM 0 H THR B 44 -7.030 -8.875 -6.842 1.00 0.00 H new ATOM 0 HA THR B 44 -9.584 -8.145 -7.907 1.00 0.00 H new ATOM 0 HB THR B 44 -10.561 -8.171 -5.558 1.00 0.00 H new ATOM 0 HG1 THR B 44 -9.452 -9.637 -4.050 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.095 -10.576 -5.397 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.260 -9.949 -7.054 1.00 0.00 H new ATOM 0 HG23 THR B 44 -9.838 -10.923 -6.608 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.422 -6.679 -5.954 1.00 0.00 N ATOM 1546 CA LEU B 45 -7.100 -5.545 -5.096 1.00 0.00 C ATOM 1547 C LEU B 45 -6.802 -4.255 -5.861 1.00 0.00 C ATOM 1548 O LEU B 45 -6.221 -4.281 -6.946 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.911 -5.955 -4.209 1.00 0.00 C ATOM 1550 CG LEU B 45 -6.261 -5.906 -2.730 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -7.312 -6.981 -2.413 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.980 -6.101 -1.912 1.00 0.00 C ATOM 0 H LEU B 45 -6.652 -7.337 -6.070 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.977 -5.309 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.592 -6.963 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -5.068 -5.293 -4.404 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.691 -4.939 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.562 -6.944 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.210 -6.798 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.911 -7.965 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -5.219 -6.068 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -4.537 -7.067 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.272 -5.307 -2.150 1.00 0.00 H new ATOM 1564 N SER B 46 -7.111 -3.117 -5.232 1.00 0.00 N ATOM 1565 CA SER B 46 -6.791 -1.784 -5.710 1.00 0.00 C ATOM 1566 C SER B 46 -6.128 -0.984 -4.580 1.00 0.00 C ATOM 1567 O SER B 46 -6.114 -1.380 -3.411 1.00 0.00 O ATOM 1568 CB SER B 46 -8.048 -1.098 -6.293 1.00 0.00 C ATOM 1569 OG SER B 46 -9.272 -1.548 -5.734 1.00 0.00 O ATOM 0 H SER B 46 -7.610 -3.107 -4.342 1.00 0.00 H new ATOM 0 HA SER B 46 -6.075 -1.840 -6.530 1.00 0.00 H new ATOM 0 HB2 SER B 46 -7.965 -0.022 -6.138 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.071 -1.264 -7.370 1.00 0.00 H new ATOM 0 HG SER B 46 -9.950 -0.847 -5.824 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.570 0.175 -4.936 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.034 1.144 -3.996 1.00 0.00 C ATOM 1577 C PHE B 47 -5.767 2.453 -4.232 1.00 0.00 C ATOM 1578 O PHE B 47 -6.237 2.739 -5.340 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.517 1.312 -4.158 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.821 1.853 -2.918 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.781 3.238 -2.658 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.191 0.968 -2.022 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -2.136 3.730 -1.510 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.526 1.464 -0.888 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.511 2.842 -0.621 1.00 0.00 C ATOM 0 H PHE B 47 -5.479 0.466 -5.909 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.188 0.801 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.080 0.347 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.323 1.984 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -3.249 3.926 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.219 -0.096 -2.207 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.121 4.792 -1.312 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.024 0.782 -0.218 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.020 3.217 0.265 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.859 3.238 -3.165 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.650 4.431 -3.069 1.00 0.00 C ATOM 1597 C VAL B 48 -5.766 5.440 -2.330 1.00 0.00 C ATOM 1598 O VAL B 48 -5.611 5.389 -1.115 1.00 0.00 O ATOM 1599 CB VAL B 48 -8.019 4.017 -2.477 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.820 5.076 -1.732 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -8.923 3.541 -3.624 1.00 0.00 C ATOM 0 H VAL B 48 -5.351 3.037 -2.304 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.932 4.940 -3.991 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.753 3.262 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.754 4.642 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.241 5.440 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -9.040 5.906 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -9.893 3.245 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.058 4.351 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -8.461 2.689 -4.122 1.00 0.00 H new ATOM 1611 N CYS B 49 -5.064 6.270 -3.114 1.00 0.00 N ATOM 1612 CA CYS B 49 -4.006 7.169 -2.646 1.00 0.00 C ATOM 1613 C CYS B 49 -4.544 8.128 -1.573 1.00 0.00 C ATOM 1614 O CYS B 49 -5.718 8.497 -1.638 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.434 7.930 -3.854 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.649 8.616 -5.021 1.00 0.00 S ATOM 0 H CYS B 49 -5.223 6.334 -4.119 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.206 6.592 -2.182 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -2.817 8.748 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.775 7.257 -4.402 1.00 0.00 H new ATOM 0 HG CYS B 49 -5.844 8.499 -4.522 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.714 8.601 -0.618 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.215 9.352 0.535 1.00 0.00 C ATOM 1623 C PRO B 50 -4.986 10.631 0.165 1.00 0.00 C ATOM 1624 O PRO B 50 -5.860 11.056 0.923 1.00 0.00 O ATOM 1625 CB PRO B 50 -3.001 9.623 1.431 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.797 9.409 0.514 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.286 8.337 -0.456 1.00 0.00 C ATOM 0 HA PRO B 50 -4.967 8.764 1.062 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -3.021 10.637 1.831 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.977 8.944 2.284 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.518 10.326 -0.006 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.920 9.079 1.071 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.762 8.398 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -2.111 7.337 -0.060 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.716 11.207 -1.015 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.461 12.309 -1.606 1.00 0.00 C ATOM 1637 C TRP B 51 -6.938 11.933 -1.770 1.00 0.00 C ATOM 1638 O TRP B 51 -7.785 12.498 -1.069 1.00 0.00 O ATOM 1639 CB TRP B 51 -4.803 12.711 -2.937 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.569 13.689 -3.778 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -6.170 14.816 -3.332 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -5.841 13.636 -5.213 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -6.822 15.440 -4.375 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -6.648 14.760 -5.562 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -5.485 12.755 -6.258 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -7.091 14.990 -6.874 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -5.913 12.982 -7.580 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -6.719 14.092 -7.888 1.00 0.00 C ATOM 0 H TRP B 51 -3.940 10.900 -1.601 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.433 13.175 -0.944 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -3.823 13.136 -2.721 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.636 11.808 -3.525 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -6.143 15.173 -2.313 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -7.365 16.298 -4.280 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -4.874 11.892 -6.039 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -7.709 15.846 -7.101 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -5.620 12.298 -8.363 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -7.052 14.254 -8.903 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.265 10.985 -2.662 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.649 10.555 -2.822 1.00 0.00 C ATOM 1661 C CYS B 52 -9.166 9.877 -1.571 1.00 0.00 C ATOM 1662 O CYS B 52 -10.357 9.953 -1.303 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.839 9.589 -3.985 1.00 0.00 C ATOM 1664 SG CYS B 52 -7.882 8.059 -3.938 1.00 0.00 S ATOM 0 H CYS B 52 -6.597 10.512 -3.271 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.209 11.468 -3.023 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.896 9.327 -4.040 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -8.593 10.115 -4.907 1.00 0.00 H new ATOM 0 HG CYS B 52 -8.000 7.438 -5.074 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.303 9.220 -0.794 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.782 8.534 0.383 1.00 0.00 C ATOM 1671 C ALA B 53 -9.381 9.521 1.390 1.00 0.00 C ATOM 1672 O ALA B 53 -10.389 9.203 2.027 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.653 7.762 1.045 1.00 0.00 C ATOM 0 H ALA B 53 -7.299 9.155 -0.960 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.560 7.839 0.067 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -8.032 7.251 1.930 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -7.255 7.028 0.345 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.861 8.453 1.336 1.00 0.00 H new ATOM 1679 N THR B 54 -8.758 10.702 1.497 1.00 0.00 N ATOM 1680 CA THR B 54 -9.199 11.829 2.305 1.00 0.00 C ATOM 1681 C THR B 54 -10.424 12.502 1.671 1.00 0.00 C ATOM 1682 O THR B 54 -11.416 12.727 2.360 1.00 0.00 O ATOM 1683 CB THR B 54 -8.033 12.828 2.462 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.884 12.179 2.963 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.367 13.979 3.415 1.00 0.00 C ATOM 0 H THR B 54 -7.892 10.899 0.995 1.00 0.00 H new ATOM 0 HA THR B 54 -9.496 11.474 3.292 1.00 0.00 H new ATOM 0 HB THR B 54 -7.852 13.232 1.466 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.245 12.035 2.234 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.512 14.651 3.488 1.00 0.00 H new ATOM 0 HG22 THR B 54 -9.228 14.528 3.035 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.599 13.579 4.402 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.346 12.862 0.380 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.371 13.681 -0.286 1.00 0.00 C ATOM 1695 C ASN B 55 -12.642 12.893 -0.604 1.00 0.00 C ATOM 1696 O ASN B 55 -13.722 13.476 -0.662 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.819 14.293 -1.583 1.00 0.00 C ATOM 1698 CG ASN B 55 -9.854 15.430 -1.286 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.217 16.598 -1.307 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.611 15.113 -0.961 1.00 0.00 N ATOM 0 H ASN B 55 -9.573 12.595 -0.230 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.634 14.471 0.417 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.311 13.523 -2.164 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.643 14.662 -2.194 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -7.943 15.846 -0.724 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.321 14.135 -0.947 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.488 11.579 -0.774 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.453 10.633 -1.319 1.00 0.00 C ATOM 1709 C GLN B 56 -13.951 11.100 -2.691 1.00 0.00 C ATOM 1710 O GLN B 56 -13.060 11.367 -3.530 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.530 10.329 -0.266 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.266 9.015 -0.553 1.00 0.00 C ATOM 1713 CD GLN B 56 -16.157 8.643 0.624 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.718 7.946 1.538 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -17.400 9.103 0.635 1.00 0.00 N ATOM 0 H GLN B 56 -11.617 11.117 -0.513 1.00 0.00 H new ATOM 0 HA GLN B 56 -12.989 9.669 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -14.067 10.277 0.720 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -15.249 11.148 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -15.868 9.117 -1.456 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -14.545 8.219 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.738 9.679 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -18.019 8.881 1.415 1.00 0.00 H new