USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 556 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 57 HIS : no HD1:sc= -0.018 X(o=-12,f=-12) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.2! C(o=-12!,f=-11!) USER MOD Set 1.3: A 85 SER OG : rot -93:sc= 0.315 USER MOD Single : A 10 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 140:sc= -3.06! USER MOD Single : A 21 CYS SG : rot 180:sc= 0.0165 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 127:sc= 1.39 USER MOD Single : A 34 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 36 CYS SG : rot 178:sc= -1.12 USER MOD Single : A 38 MET CE :methyl -136:sc= -8.1! (180deg=-15.3!) USER MOD Single : A 56 CYS SG : rot 180:sc= -2.43 USER MOD Single : A 69 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -9.806 -15.415 2.437 1.00 0.00 N ATOM 67 CA ARG A 8 -8.674 -15.070 1.594 1.00 0.00 C ATOM 68 C ARG A 8 -7.994 -13.801 2.111 1.00 0.00 C ATOM 69 O ARG A 8 -8.597 -13.029 2.855 1.00 0.00 O ATOM 70 CB ARG A 8 -9.112 -14.852 0.144 1.00 0.00 C ATOM 71 CG ARG A 8 -9.254 -16.186 -0.592 1.00 0.00 C ATOM 72 CD ARG A 8 -10.513 -16.201 -1.461 1.00 0.00 C ATOM 73 NE ARG A 8 -10.235 -16.884 -2.744 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.029 -18.203 -2.863 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.068 -18.988 -1.778 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.783 -18.736 -4.068 1.00 0.00 N ATOM 0 HA ARG A 8 -7.971 -15.902 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.062 -14.318 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.383 -14.225 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.376 -16.357 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.296 -17.001 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.321 -16.711 -0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.848 -15.181 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.198 -16.316 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.255 -18.582 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.911 -19.992 -1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.753 -18.138 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.626 -19.740 -4.159 1.00 0.00 H new ATOM 90 N PRO A 9 -6.715 -13.619 1.685 1.00 0.00 N ATOM 91 CA PRO A 9 -5.948 -12.456 2.097 1.00 0.00 C ATOM 92 C PRO A 9 -6.410 -11.202 1.353 1.00 0.00 C ATOM 93 O PRO A 9 -7.274 -11.277 0.481 1.00 0.00 O ATOM 94 CB PRO A 9 -4.500 -12.818 1.808 1.00 0.00 C ATOM 95 CG PRO A 9 -4.548 -13.974 0.822 1.00 0.00 C ATOM 96 CD PRO A 9 -5.969 -14.512 0.804 1.00 0.00 C ATOM 0 HA PRO A 9 -6.083 -12.216 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.961 -11.969 1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.979 -13.105 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.254 -13.640 -0.173 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.847 -14.756 1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.381 -14.508 -0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.007 -15.542 1.160 1.00 0.00 H new ATOM 104 N HIS A 10 -5.814 -10.079 1.724 1.00 0.00 N ATOM 105 CA HIS A 10 -6.154 -8.810 1.103 1.00 0.00 C ATOM 106 C HIS A 10 -4.941 -8.268 0.345 1.00 0.00 C ATOM 107 O HIS A 10 -3.976 -7.811 0.956 1.00 0.00 O ATOM 108 CB HIS A 10 -6.694 -7.824 2.141 1.00 0.00 C ATOM 109 CG HIS A 10 -7.995 -8.253 2.777 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.231 -7.935 2.244 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.238 -8.978 3.907 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.169 -8.449 3.025 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.551 -9.095 4.056 1.00 0.00 N ATOM 0 H HIS A 10 -5.097 -10.021 2.447 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.955 -8.959 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.946 -7.689 2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.836 -6.854 1.666 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.488 -9.387 4.568 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.235 -8.371 2.873 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.021 -9.587 4.816 1.00 0.00 H new ATOM 121 N VAL A 11 -5.028 -8.338 -0.975 1.00 0.00 N ATOM 122 CA VAL A 11 -3.949 -7.860 -1.823 1.00 0.00 C ATOM 123 C VAL A 11 -4.104 -6.353 -2.037 1.00 0.00 C ATOM 124 O VAL A 11 -4.790 -5.921 -2.962 1.00 0.00 O ATOM 125 CB VAL A 11 -3.924 -8.650 -3.133 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.876 -8.084 -4.094 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.681 -10.138 -2.870 1.00 0.00 C ATOM 0 H VAL A 11 -5.829 -8.719 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.984 -8.023 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.901 -8.548 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.879 -8.663 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.112 -7.044 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.890 -8.141 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.668 -10.677 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.723 -10.267 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.479 -10.531 -2.240 1.00 0.00 H new ATOM 137 N VAL A 12 -3.455 -5.594 -1.166 1.00 0.00 N ATOM 138 CA VAL A 12 -3.512 -4.144 -1.248 1.00 0.00 C ATOM 139 C VAL A 12 -2.629 -3.668 -2.403 1.00 0.00 C ATOM 140 O VAL A 12 -1.547 -4.210 -2.626 1.00 0.00 O ATOM 141 CB VAL A 12 -3.121 -3.528 0.097 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.142 -2.000 0.026 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.029 -4.038 1.218 1.00 0.00 C ATOM 0 H VAL A 12 -2.887 -5.956 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.529 -3.813 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.101 -3.839 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.860 -1.587 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.436 -1.661 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.145 -1.662 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.730 -3.585 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.063 -3.771 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.942 -5.122 1.292 1.00 0.00 H new ATOM 153 N LYS A 13 -3.123 -2.660 -3.107 1.00 0.00 N ATOM 154 CA LYS A 13 -2.392 -2.105 -4.233 1.00 0.00 C ATOM 155 C LYS A 13 -2.057 -0.639 -3.946 1.00 0.00 C ATOM 156 O LYS A 13 -2.901 0.239 -4.118 1.00 0.00 O ATOM 157 CB LYS A 13 -3.171 -2.314 -5.533 1.00 0.00 C ATOM 158 CG LYS A 13 -3.655 -3.761 -5.655 1.00 0.00 C ATOM 159 CD LYS A 13 -4.339 -3.998 -7.003 1.00 0.00 C ATOM 160 CE LYS A 13 -3.306 -4.217 -8.110 1.00 0.00 C ATOM 161 NZ LYS A 13 -3.772 -5.257 -9.055 1.00 0.00 N ATOM 0 H LYS A 13 -4.021 -2.213 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.445 -2.629 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.025 -1.637 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.538 -2.065 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.810 -4.441 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.350 -3.985 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.994 -4.866 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.968 -3.143 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.133 -3.283 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.353 -4.515 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.059 -5.393 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.914 -6.152 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.670 -4.958 -9.486 1.00 0.00 H new ATOM 175 N VAL A 14 -0.824 -0.421 -3.514 1.00 0.00 N ATOM 176 CA VAL A 14 -0.367 0.922 -3.201 1.00 0.00 C ATOM 177 C VAL A 14 0.565 1.411 -4.312 1.00 0.00 C ATOM 178 O VAL A 14 1.465 0.687 -4.734 1.00 0.00 O ATOM 179 CB VAL A 14 0.287 0.944 -1.819 1.00 0.00 C ATOM 180 CG1 VAL A 14 0.905 2.313 -1.526 1.00 0.00 C ATOM 181 CG2 VAL A 14 -0.715 0.552 -0.731 1.00 0.00 C ATOM 0 H VAL A 14 -0.127 -1.152 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.210 1.611 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 14 1.089 0.206 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.363 2.301 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.664 2.537 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.128 3.077 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.224 0.576 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.549 1.254 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.088 -0.454 -0.925 1.00 0.00 H new ATOM 191 N TYR A 15 0.317 2.635 -4.753 1.00 0.00 N ATOM 192 CA TYR A 15 1.123 3.229 -5.806 1.00 0.00 C ATOM 193 C TYR A 15 2.158 4.195 -5.227 1.00 0.00 C ATOM 194 O TYR A 15 1.871 4.920 -4.275 1.00 0.00 O ATOM 195 CB TYR A 15 0.150 4.012 -6.691 1.00 0.00 C ATOM 196 CG TYR A 15 -0.777 3.130 -7.530 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.864 2.517 -6.942 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.525 2.948 -8.874 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.737 1.687 -7.732 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.397 2.118 -9.664 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.460 1.529 -9.054 1.00 0.00 C ATOM 202 OH TYR A 15 -3.284 0.745 -9.800 1.00 0.00 O ATOM 0 H TYR A 15 -0.431 3.232 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 15 1.662 2.458 -6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.457 4.661 -6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.721 4.658 -7.358 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.060 2.659 -5.890 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.326 3.428 -9.334 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.592 1.201 -7.285 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.211 1.967 -10.717 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.965 0.724 -10.726 1.00 0.00 H new ATOM 212 N SER A 16 3.340 4.174 -5.824 1.00 0.00 N ATOM 213 CA SER A 16 4.419 5.039 -5.379 1.00 0.00 C ATOM 214 C SER A 16 4.349 6.381 -6.109 1.00 0.00 C ATOM 215 O SER A 16 4.075 6.426 -7.307 1.00 0.00 O ATOM 216 CB SER A 16 5.782 4.381 -5.607 1.00 0.00 C ATOM 217 OG SER A 16 6.121 4.322 -6.989 1.00 0.00 O ATOM 0 H SER A 16 3.574 3.571 -6.613 1.00 0.00 H new ATOM 0 HA SER A 16 4.302 5.209 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.549 4.939 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.772 3.373 -5.193 1.00 0.00 H new ATOM 0 HG SER A 16 7.073 4.524 -7.101 1.00 0.00 H new ATOM 223 N GLU A 17 4.601 7.442 -5.356 1.00 0.00 N ATOM 224 CA GLU A 17 4.570 8.782 -5.917 1.00 0.00 C ATOM 225 C GLU A 17 5.287 8.809 -7.268 1.00 0.00 C ATOM 226 O GLU A 17 4.844 9.482 -8.197 1.00 0.00 O ATOM 227 CB GLU A 17 5.184 9.796 -4.950 1.00 0.00 C ATOM 228 CG GLU A 17 4.114 10.406 -4.043 1.00 0.00 C ATOM 229 CD GLU A 17 4.504 11.822 -3.611 1.00 0.00 C ATOM 230 OE1 GLU A 17 4.475 12.711 -4.489 1.00 0.00 O ATOM 231 OE2 GLU A 17 4.821 11.982 -2.413 1.00 0.00 O ATOM 0 H GLU A 17 4.827 7.401 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 17 3.529 9.064 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.946 9.309 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.682 10.586 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.159 10.432 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.977 9.778 -3.163 1.00 0.00 H new ATOM 238 N ASP A 18 6.384 8.068 -7.335 1.00 0.00 N ATOM 239 CA ASP A 18 7.167 7.999 -8.557 1.00 0.00 C ATOM 240 C ASP A 18 6.341 7.316 -9.649 1.00 0.00 C ATOM 241 O ASP A 18 6.339 7.756 -10.797 1.00 0.00 O ATOM 242 CB ASP A 18 8.443 7.181 -8.348 1.00 0.00 C ATOM 243 CG ASP A 18 9.597 7.939 -7.689 1.00 0.00 C ATOM 244 OD1 ASP A 18 10.185 8.794 -8.385 1.00 0.00 O ATOM 245 OD2 ASP A 18 9.865 7.646 -6.503 1.00 0.00 O ATOM 0 H ASP A 18 6.749 7.510 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 18 7.434 9.016 -8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.203 6.312 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.779 6.807 -9.315 1.00 0.00 H new ATOM 250 N GLY A 19 5.659 6.251 -9.251 1.00 0.00 N ATOM 251 CA GLY A 19 4.831 5.503 -10.182 1.00 0.00 C ATOM 252 C GLY A 19 4.957 3.997 -9.940 1.00 0.00 C ATOM 253 O GLY A 19 4.031 3.240 -10.224 1.00 0.00 O ATOM 0 H GLY A 19 5.663 5.889 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.790 5.807 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.126 5.737 -11.205 1.00 0.00 H new ATOM 257 N ALA A 20 6.112 3.609 -9.418 1.00 0.00 N ATOM 258 CA ALA A 20 6.371 2.208 -9.135 1.00 0.00 C ATOM 259 C ALA A 20 5.383 1.715 -8.076 1.00 0.00 C ATOM 260 O ALA A 20 5.544 2.001 -6.890 1.00 0.00 O ATOM 261 CB ALA A 20 7.828 2.036 -8.698 1.00 0.00 C ATOM 0 H ALA A 20 6.878 4.240 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 20 6.225 1.602 -10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.022 0.985 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.489 2.373 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.011 2.627 -7.801 1.00 0.00 H new ATOM 267 N CYS A 21 4.382 0.982 -8.541 1.00 0.00 N ATOM 268 CA CYS A 21 3.368 0.447 -7.649 1.00 0.00 C ATOM 269 C CYS A 21 3.787 -0.967 -7.240 1.00 0.00 C ATOM 270 O CYS A 21 4.631 -1.581 -7.890 1.00 0.00 O ATOM 271 CB CYS A 21 1.980 0.467 -8.292 1.00 0.00 C ATOM 272 SG CYS A 21 1.941 -0.664 -9.731 1.00 0.00 S ATOM 0 H CYS A 21 4.252 0.746 -9.525 1.00 0.00 H new ATOM 0 HA CYS A 21 3.293 1.075 -6.761 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.228 0.167 -7.563 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.731 1.480 -8.608 1.00 0.00 H new ATOM 0 HG CYS A 21 0.758 -0.642 -10.269 1.00 0.00 H new ATOM 278 N ARG A 22 3.177 -1.442 -6.163 1.00 0.00 N ATOM 279 CA ARG A 22 3.476 -2.772 -5.660 1.00 0.00 C ATOM 280 C ARG A 22 2.241 -3.373 -4.985 1.00 0.00 C ATOM 281 O ARG A 22 1.224 -2.700 -4.830 1.00 0.00 O ATOM 282 CB ARG A 22 4.630 -2.734 -4.656 1.00 0.00 C ATOM 283 CG ARG A 22 4.107 -2.607 -3.224 1.00 0.00 C ATOM 284 CD ARG A 22 3.299 -1.319 -3.047 1.00 0.00 C ATOM 285 NE ARG A 22 2.791 -1.227 -1.660 1.00 0.00 N ATOM 286 CZ ARG A 22 1.760 -1.942 -1.189 1.00 0.00 C ATOM 287 NH1 ARG A 22 1.121 -2.805 -1.990 1.00 0.00 N ATOM 288 NH2 ARG A 22 1.368 -1.792 0.084 1.00 0.00 N ATOM 0 H ARG A 22 2.478 -0.930 -5.626 1.00 0.00 H new ATOM 0 HA ARG A 22 3.768 -3.391 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.228 -3.641 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.287 -1.894 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.483 -3.468 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.944 -2.614 -2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.923 -0.454 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.466 -1.303 -3.750 1.00 0.00 H new ATOM 0 HE ARG A 22 3.254 -0.579 -1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.419 -2.918 -2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.336 -3.349 -1.631 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.854 -1.134 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.583 -2.336 0.443 1.00 0.00 H new ATOM 302 N SER A 23 2.372 -4.635 -4.601 1.00 0.00 N ATOM 303 CA SER A 23 1.280 -5.335 -3.946 1.00 0.00 C ATOM 304 C SER A 23 1.804 -6.102 -2.731 1.00 0.00 C ATOM 305 O SER A 23 2.915 -6.630 -2.758 1.00 0.00 O ATOM 306 CB SER A 23 0.578 -6.289 -4.915 1.00 0.00 C ATOM 307 OG SER A 23 0.111 -5.617 -6.082 1.00 0.00 O ATOM 0 H SER A 23 3.218 -5.190 -4.731 1.00 0.00 H new ATOM 0 HA SER A 23 0.550 -4.597 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.267 -7.083 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.263 -6.765 -4.410 1.00 0.00 H new ATOM 0 HG SER A 23 -0.330 -6.260 -6.676 1.00 0.00 H new ATOM 313 N VAL A 24 0.980 -6.140 -1.695 1.00 0.00 N ATOM 314 CA VAL A 24 1.346 -6.835 -0.472 1.00 0.00 C ATOM 315 C VAL A 24 0.157 -7.665 0.014 1.00 0.00 C ATOM 316 O VAL A 24 -0.995 -7.270 -0.163 1.00 0.00 O ATOM 317 CB VAL A 24 1.842 -5.831 0.571 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.156 -5.185 0.130 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.778 -4.770 0.859 1.00 0.00 C ATOM 0 H VAL A 24 0.060 -5.701 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 24 2.169 -7.525 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 24 2.032 -6.375 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.486 -4.476 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.915 -5.956 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.005 -4.661 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.155 -4.069 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.542 -4.232 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.123 -5.252 1.239 1.00 0.00 H new ATOM 329 N GLU A 25 0.476 -8.801 0.618 1.00 0.00 N ATOM 330 CA GLU A 25 -0.553 -9.690 1.131 1.00 0.00 C ATOM 331 C GLU A 25 -0.759 -9.455 2.628 1.00 0.00 C ATOM 332 O GLU A 25 0.080 -9.839 3.442 1.00 0.00 O ATOM 333 CB GLU A 25 -0.204 -11.152 0.848 1.00 0.00 C ATOM 334 CG GLU A 25 -1.087 -11.722 -0.264 1.00 0.00 C ATOM 335 CD GLU A 25 -1.181 -13.246 -0.164 1.00 0.00 C ATOM 336 OE1 GLU A 25 -1.541 -13.721 0.935 1.00 0.00 O ATOM 337 OE2 GLU A 25 -0.890 -13.901 -1.188 1.00 0.00 O ATOM 0 H GLU A 25 1.432 -9.126 0.763 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.488 -9.468 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.844 -11.230 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.330 -11.742 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.085 -11.288 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.680 -11.442 -1.236 1.00 0.00 H new ATOM 344 N VAL A 26 -1.880 -8.825 2.947 1.00 0.00 N ATOM 345 CA VAL A 26 -2.207 -8.534 4.333 1.00 0.00 C ATOM 346 C VAL A 26 -3.619 -9.037 4.636 1.00 0.00 C ATOM 347 O VAL A 26 -4.435 -9.192 3.728 1.00 0.00 O ATOM 348 CB VAL A 26 -2.033 -7.039 4.609 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.567 -6.622 4.466 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.932 -6.205 3.695 1.00 0.00 C ATOM 0 H VAL A 26 -2.573 -8.508 2.270 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.525 -9.056 5.004 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.336 -6.851 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.471 -5.555 4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.041 -7.182 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.226 -6.832 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.789 -5.146 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.674 -6.400 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.974 -6.473 3.867 1.00 0.00 H new ATOM 360 N ALA A 27 -3.866 -9.279 5.915 1.00 0.00 N ATOM 361 CA ALA A 27 -5.166 -9.762 6.348 1.00 0.00 C ATOM 362 C ALA A 27 -5.854 -8.680 7.183 1.00 0.00 C ATOM 363 O ALA A 27 -5.275 -7.626 7.438 1.00 0.00 O ATOM 364 CB ALA A 27 -4.993 -11.072 7.120 1.00 0.00 C ATOM 0 H ALA A 27 -3.188 -9.150 6.666 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.803 -9.972 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.968 -11.434 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.526 -11.816 6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.361 -10.900 7.991 1.00 0.00 H new ATOM 370 N ALA A 28 -7.081 -8.978 7.584 1.00 0.00 N ATOM 371 CA ALA A 28 -7.855 -8.044 8.384 1.00 0.00 C ATOM 372 C ALA A 28 -7.180 -7.864 9.745 1.00 0.00 C ATOM 373 O ALA A 28 -7.525 -8.547 10.709 1.00 0.00 O ATOM 374 CB ALA A 28 -9.294 -8.549 8.509 1.00 0.00 C ATOM 0 H ALA A 28 -7.559 -9.853 7.370 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.893 -7.067 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.875 -7.848 9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.738 -8.632 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.296 -9.527 8.990 1.00 0.00 H new ATOM 380 N GLY A 29 -6.229 -6.942 9.781 1.00 0.00 N ATOM 381 CA GLY A 29 -5.502 -6.664 11.008 1.00 0.00 C ATOM 382 C GLY A 29 -4.382 -5.651 10.764 1.00 0.00 C ATOM 383 O GLY A 29 -4.292 -4.640 11.460 1.00 0.00 O ATOM 0 H GLY A 29 -5.945 -6.378 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.188 -6.278 11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.081 -7.589 11.403 1.00 0.00 H new ATOM 387 N ALA A 30 -3.556 -5.956 9.774 1.00 0.00 N ATOM 388 CA ALA A 30 -2.446 -5.085 9.430 1.00 0.00 C ATOM 389 C ALA A 30 -2.970 -3.666 9.198 1.00 0.00 C ATOM 390 O ALA A 30 -4.002 -3.479 8.555 1.00 0.00 O ATOM 391 CB ALA A 30 -1.718 -5.645 8.206 1.00 0.00 C ATOM 0 H ALA A 30 -3.634 -6.795 9.199 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.725 -5.041 10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.885 -4.991 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.340 -6.642 8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.410 -5.701 7.365 1.00 0.00 H new ATOM 397 N THR A 31 -2.234 -2.703 9.734 1.00 0.00 N ATOM 398 CA THR A 31 -2.612 -1.307 9.593 1.00 0.00 C ATOM 399 C THR A 31 -1.707 -0.610 8.575 1.00 0.00 C ATOM 400 O THR A 31 -0.888 -1.255 7.923 1.00 0.00 O ATOM 401 CB THR A 31 -2.573 -0.664 10.981 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.192 -0.388 11.197 1.00 0.00 O ATOM 403 CG2 THR A 31 -2.933 -1.651 12.094 1.00 0.00 C ATOM 0 H THR A 31 -1.379 -2.862 10.266 1.00 0.00 H new ATOM 0 HA THR A 31 -3.625 -1.209 9.202 1.00 0.00 H new ATOM 0 HB THR A 31 -3.260 0.181 11.008 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.081 0.554 11.442 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.890 -1.144 13.058 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.940 -2.033 11.930 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.225 -2.480 12.088 1.00 0.00 H new ATOM 411 N ALA A 32 -1.886 0.699 8.471 1.00 0.00 N ATOM 412 CA ALA A 32 -1.096 1.491 7.543 1.00 0.00 C ATOM 413 C ALA A 32 0.385 1.369 7.909 1.00 0.00 C ATOM 414 O ALA A 32 1.256 1.651 7.087 1.00 0.00 O ATOM 415 CB ALA A 32 -1.584 2.941 7.565 1.00 0.00 C ATOM 0 H ALA A 32 -2.566 1.231 9.014 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.216 1.122 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.992 3.535 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.633 2.976 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.476 3.346 8.571 1.00 0.00 H new ATOM 421 N ARG A 33 0.625 0.948 9.142 1.00 0.00 N ATOM 422 CA ARG A 33 1.985 0.786 9.626 1.00 0.00 C ATOM 423 C ARG A 33 2.553 -0.560 9.171 1.00 0.00 C ATOM 424 O ARG A 33 3.669 -0.626 8.658 1.00 0.00 O ATOM 425 CB ARG A 33 2.040 0.865 11.153 1.00 0.00 C ATOM 426 CG ARG A 33 3.278 0.149 11.695 1.00 0.00 C ATOM 427 CD ARG A 33 4.560 0.789 11.159 1.00 0.00 C ATOM 428 NE ARG A 33 5.594 0.815 12.219 1.00 0.00 N ATOM 429 CZ ARG A 33 5.659 1.743 13.183 1.00 0.00 C ATOM 430 NH1 ARG A 33 4.750 2.727 13.228 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.632 1.687 14.103 1.00 0.00 N ATOM 0 H ARG A 33 -0.100 0.714 9.820 1.00 0.00 H new ATOM 0 HA ARG A 33 2.584 1.597 9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.053 1.909 11.466 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.141 0.416 11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.276 0.187 12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.247 -0.903 11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.924 0.228 10.298 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.354 1.803 10.815 1.00 0.00 H new ATOM 0 HE ARG A 33 6.301 0.080 12.215 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.009 2.769 12.528 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.799 3.434 13.962 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.323 0.938 14.069 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.681 2.394 14.837 1.00 0.00 H new ATOM 445 N HIS A 34 1.759 -1.601 9.377 1.00 0.00 N ATOM 446 CA HIS A 34 2.168 -2.942 8.995 1.00 0.00 C ATOM 447 C HIS A 34 2.764 -2.914 7.586 1.00 0.00 C ATOM 448 O HIS A 34 3.841 -3.462 7.353 1.00 0.00 O ATOM 449 CB HIS A 34 1.003 -3.924 9.126 1.00 0.00 C ATOM 450 CG HIS A 34 0.964 -4.658 10.445 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.838 -4.008 11.661 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.034 -5.991 10.726 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.835 -4.919 12.623 1.00 0.00 C ATOM 454 NE2 HIS A 34 0.957 -6.147 12.042 1.00 0.00 N ATOM 0 H HIS A 34 0.834 -1.543 9.804 1.00 0.00 H new ATOM 0 HA HIS A 34 2.944 -3.297 9.674 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.067 -3.381 8.996 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.063 -4.653 8.318 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.135 -6.785 10.001 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.751 -4.724 13.682 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.985 -7.038 12.537 1.00 0.00 H new ATOM 462 N VAL A 35 2.039 -2.271 6.683 1.00 0.00 N ATOM 463 CA VAL A 35 2.482 -2.165 5.304 1.00 0.00 C ATOM 464 C VAL A 35 3.774 -1.348 5.249 1.00 0.00 C ATOM 465 O VAL A 35 4.799 -1.831 4.771 1.00 0.00 O ATOM 466 CB VAL A 35 1.366 -1.577 4.439 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.866 -1.284 3.023 1.00 0.00 C ATOM 468 CG2 VAL A 35 0.148 -2.503 4.410 1.00 0.00 C ATOM 0 H VAL A 35 1.147 -1.818 6.880 1.00 0.00 H new ATOM 0 HA VAL A 35 2.704 -3.152 4.898 1.00 0.00 H new ATOM 0 HB VAL A 35 1.058 -0.633 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.053 -0.867 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.687 -0.568 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.215 -2.208 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.630 -2.061 3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.436 -3.470 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.230 -2.638 5.423 1.00 0.00 H new ATOM 478 N CYS A 36 3.683 -0.123 5.746 1.00 0.00 N ATOM 479 CA CYS A 36 4.832 0.766 5.761 1.00 0.00 C ATOM 480 C CYS A 36 6.058 -0.040 6.196 1.00 0.00 C ATOM 481 O CYS A 36 7.178 0.253 5.780 1.00 0.00 O ATOM 482 CB CYS A 36 4.597 1.980 6.662 1.00 0.00 C ATOM 483 SG CYS A 36 6.172 2.874 6.931 1.00 0.00 S ATOM 0 H CYS A 36 2.831 0.275 6.141 1.00 0.00 H new ATOM 0 HA CYS A 36 4.998 1.166 4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.865 2.646 6.205 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.183 1.659 7.618 1.00 0.00 H new ATOM 0 HG CYS A 36 5.955 3.924 7.667 1.00 0.00 H new ATOM 489 N GLU A 37 5.804 -1.038 7.029 1.00 0.00 N ATOM 490 CA GLU A 37 6.873 -1.889 7.525 1.00 0.00 C ATOM 491 C GLU A 37 7.218 -2.964 6.494 1.00 0.00 C ATOM 492 O GLU A 37 8.392 -3.228 6.236 1.00 0.00 O ATOM 493 CB GLU A 37 6.494 -2.517 8.868 1.00 0.00 C ATOM 494 CG GLU A 37 6.778 -1.556 10.023 1.00 0.00 C ATOM 495 CD GLU A 37 8.104 -1.897 10.708 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.082 -2.128 9.965 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.108 -1.919 11.957 1.00 0.00 O ATOM 0 H GLU A 37 4.874 -1.277 7.373 1.00 0.00 H new ATOM 0 HA GLU A 37 7.757 -1.272 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.437 -2.783 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.055 -3.441 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.810 -0.533 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.967 -1.605 10.749 1.00 0.00 H new ATOM 504 N MET A 38 6.175 -3.557 5.932 1.00 0.00 N ATOM 505 CA MET A 38 6.353 -4.598 4.934 1.00 0.00 C ATOM 506 C MET A 38 7.137 -4.074 3.729 1.00 0.00 C ATOM 507 O MET A 38 8.118 -4.686 3.308 1.00 0.00 O ATOM 508 CB MET A 38 4.984 -5.103 4.473 1.00 0.00 C ATOM 509 CG MET A 38 4.330 -5.974 5.547 1.00 0.00 C ATOM 510 SD MET A 38 2.558 -5.767 5.505 1.00 0.00 S ATOM 511 CE MET A 38 2.188 -6.574 3.957 1.00 0.00 C ATOM 0 H MET A 38 5.203 -3.336 6.149 1.00 0.00 H new ATOM 0 HA MET A 38 6.918 -5.414 5.384 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.338 -4.255 4.244 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.095 -5.676 3.553 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.586 -7.021 5.384 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.713 -5.702 6.531 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.475 -5.972 3.394 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.104 -6.688 3.378 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.758 -7.556 4.152 1.00 0.00 H new ATOM 521 N LEU A 39 6.675 -2.947 3.207 1.00 0.00 N ATOM 522 CA LEU A 39 7.321 -2.334 2.059 1.00 0.00 C ATOM 523 C LEU A 39 8.788 -2.058 2.392 1.00 0.00 C ATOM 524 O LEU A 39 9.686 -2.553 1.712 1.00 0.00 O ATOM 525 CB LEU A 39 6.548 -1.093 1.609 1.00 0.00 C ATOM 526 CG LEU A 39 5.052 -1.289 1.354 1.00 0.00 C ATOM 527 CD1 LEU A 39 4.309 0.047 1.394 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.814 -2.039 0.041 1.00 0.00 C ATOM 0 H LEU A 39 5.861 -2.443 3.558 1.00 0.00 H new ATOM 0 HA LEU A 39 7.310 -3.014 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.669 -0.320 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.006 -0.716 0.694 1.00 0.00 H new ATOM 0 HG LEU A 39 4.646 -1.906 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.248 -0.121 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.439 0.506 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.710 0.709 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.743 -2.165 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.238 -1.469 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.292 -3.018 0.089 1.00 0.00 H new ATOM 540 N VAL A 40 8.987 -1.269 3.437 1.00 0.00 N ATOM 541 CA VAL A 40 10.330 -0.921 3.868 1.00 0.00 C ATOM 542 C VAL A 40 11.233 -2.150 3.751 1.00 0.00 C ATOM 543 O VAL A 40 12.380 -2.044 3.320 1.00 0.00 O ATOM 544 CB VAL A 40 10.291 -0.340 5.283 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.658 -0.458 5.961 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.811 1.113 5.266 1.00 0.00 C ATOM 0 H VAL A 40 8.240 -0.860 3.998 1.00 0.00 H new ATOM 0 HA VAL A 40 10.749 -0.147 3.225 1.00 0.00 H new ATOM 0 HB VAL A 40 9.576 -0.922 5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.603 -0.038 6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.945 -1.508 6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.401 0.088 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.792 1.502 6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.490 1.713 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.808 1.160 4.841 1.00 0.00 H new ATOM 705 N TRP A 51 7.768 6.601 7.314 1.00 0.00 N ATOM 706 CA TRP A 51 6.948 6.404 6.131 1.00 0.00 C ATOM 707 C TRP A 51 5.527 6.070 6.591 1.00 0.00 C ATOM 708 O TRP A 51 5.325 5.623 7.719 1.00 0.00 O ATOM 709 CB TRP A 51 7.548 5.333 5.219 1.00 0.00 C ATOM 710 CG TRP A 51 8.726 5.823 4.374 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.913 6.278 4.798 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.781 5.891 2.933 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.726 6.632 3.741 1.00 0.00 N ATOM 714 CE2 TRP A 51 10.016 6.389 2.571 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.820 5.542 1.969 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.403 6.583 1.239 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.222 5.742 0.643 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.461 6.243 0.261 1.00 0.00 C ATOM 0 HA TRP A 51 6.915 7.312 5.529 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.877 4.493 5.830 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.769 4.958 4.555 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.198 6.358 5.837 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.674 7.004 3.806 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.848 5.150 2.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.376 6.974 0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.520 5.489 -0.138 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.696 6.369 -0.786 1.00 0.00 H new ATOM 729 N GLY A 52 4.579 6.299 5.694 1.00 0.00 N ATOM 730 CA GLY A 52 3.184 6.027 5.993 1.00 0.00 C ATOM 731 C GLY A 52 2.403 5.701 4.719 1.00 0.00 C ATOM 732 O GLY A 52 2.991 5.333 3.703 1.00 0.00 O ATOM 0 H GLY A 52 4.750 6.670 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.114 5.192 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.739 6.892 6.485 1.00 0.00 H new ATOM 736 N LEU A 53 1.089 5.849 4.814 1.00 0.00 N ATOM 737 CA LEU A 53 0.222 5.574 3.681 1.00 0.00 C ATOM 738 C LEU A 53 -0.577 6.834 3.340 1.00 0.00 C ATOM 739 O LEU A 53 -0.835 7.664 4.209 1.00 0.00 O ATOM 740 CB LEU A 53 -0.651 4.349 3.959 1.00 0.00 C ATOM 741 CG LEU A 53 -0.147 3.023 3.387 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.194 1.920 3.554 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.287 3.185 1.928 1.00 0.00 C ATOM 0 H LEU A 53 0.605 6.156 5.658 1.00 0.00 H new ATOM 0 HA LEU A 53 0.813 5.322 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.756 4.240 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.647 4.539 3.559 1.00 0.00 H new ATOM 0 HG LEU A 53 0.733 2.719 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.810 0.988 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.412 1.783 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.107 2.202 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.641 2.228 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.560 3.523 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.090 3.920 1.867 1.00 0.00 H new ATOM 755 N VAL A 54 -0.947 6.936 2.071 1.00 0.00 N ATOM 756 CA VAL A 54 -1.711 8.080 1.604 1.00 0.00 C ATOM 757 C VAL A 54 -2.767 7.608 0.603 1.00 0.00 C ATOM 758 O VAL A 54 -2.433 7.145 -0.486 1.00 0.00 O ATOM 759 CB VAL A 54 -0.769 9.137 1.025 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.528 10.422 0.688 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.391 9.421 1.981 1.00 0.00 C ATOM 0 H VAL A 54 -0.732 6.245 1.352 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.237 8.552 2.434 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.351 8.742 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.835 11.157 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.303 10.205 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.987 10.821 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.045 10.176 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.001 9.785 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.956 8.504 2.150 1.00 0.00 H new ATOM 771 N GLU A 55 -4.022 7.741 1.008 1.00 0.00 N ATOM 772 CA GLU A 55 -5.129 7.333 0.161 1.00 0.00 C ATOM 773 C GLU A 55 -5.397 8.394 -0.909 1.00 0.00 C ATOM 774 O GLU A 55 -5.734 9.532 -0.589 1.00 0.00 O ATOM 775 CB GLU A 55 -6.385 7.064 0.991 1.00 0.00 C ATOM 776 CG GLU A 55 -7.068 8.372 1.394 1.00 0.00 C ATOM 777 CD GLU A 55 -7.821 8.213 2.717 1.00 0.00 C ATOM 778 OE1 GLU A 55 -9.000 7.806 2.653 1.00 0.00 O ATOM 779 OE2 GLU A 55 -7.199 8.503 3.762 1.00 0.00 O ATOM 0 H GLU A 55 -4.296 8.126 1.912 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.856 6.402 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.079 6.449 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.120 6.498 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.322 9.162 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.761 8.680 0.612 1.00 0.00 H new ATOM 786 N CYS A 56 -5.236 7.982 -2.158 1.00 0.00 N ATOM 787 CA CYS A 56 -5.456 8.882 -3.277 1.00 0.00 C ATOM 788 C CYS A 56 -6.817 8.557 -3.895 1.00 0.00 C ATOM 789 O CYS A 56 -7.225 7.398 -3.931 1.00 0.00 O ATOM 790 CB CYS A 56 -4.326 8.793 -4.306 1.00 0.00 C ATOM 791 SG CYS A 56 -3.184 10.209 -4.105 1.00 0.00 S ATOM 0 H CYS A 56 -4.956 7.037 -2.420 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.456 9.913 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.783 7.856 -4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.740 8.790 -5.314 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.228 10.123 -4.981 1.00 0.00 H new ATOM 797 N HIS A 57 -7.482 9.602 -4.367 1.00 0.00 N ATOM 798 CA HIS A 57 -8.788 9.442 -4.982 1.00 0.00 C ATOM 799 C HIS A 57 -8.697 9.769 -6.474 1.00 0.00 C ATOM 800 O HIS A 57 -8.801 10.931 -6.865 1.00 0.00 O ATOM 801 CB HIS A 57 -9.838 10.283 -4.253 1.00 0.00 C ATOM 802 CG HIS A 57 -10.153 9.799 -2.858 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.333 8.461 -2.551 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.317 10.487 -1.692 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.593 8.360 -1.256 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.584 9.617 -0.726 1.00 0.00 N ATOM 0 H HIS A 57 -7.140 10.562 -4.336 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.111 8.405 -4.893 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.489 11.314 -4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.756 10.288 -4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.242 11.558 -1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.779 7.444 -0.715 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.755 9.850 0.252 1.00 0.00 H new ATOM 814 N PRO A 58 -8.499 8.697 -7.287 1.00 0.00 N ATOM 815 CA PRO A 58 -8.393 8.859 -8.727 1.00 0.00 C ATOM 816 C PRO A 58 -9.765 9.123 -9.351 1.00 0.00 C ATOM 817 O PRO A 58 -10.195 8.395 -10.245 1.00 0.00 O ATOM 818 CB PRO A 58 -7.753 7.572 -9.221 1.00 0.00 C ATOM 819 CG PRO A 58 -7.950 6.555 -8.109 1.00 0.00 C ATOM 820 CD PRO A 58 -8.372 7.307 -6.858 1.00 0.00 C ATOM 0 HA PRO A 58 -7.791 9.722 -9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.219 7.234 -10.146 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.694 7.719 -9.433 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.709 5.825 -8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.028 6.003 -7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.315 6.926 -6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.632 7.203 -6.065 1.00 0.00 H new ATOM 828 N HIS A 59 -10.413 10.167 -8.857 1.00 0.00 N ATOM 829 CA HIS A 59 -11.727 10.537 -9.355 1.00 0.00 C ATOM 830 C HIS A 59 -12.093 11.934 -8.852 1.00 0.00 C ATOM 831 O HIS A 59 -12.630 12.748 -9.602 1.00 0.00 O ATOM 832 CB HIS A 59 -12.768 9.480 -8.979 1.00 0.00 C ATOM 833 CG HIS A 59 -12.754 9.096 -7.519 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.617 8.639 -6.875 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.747 9.107 -6.585 1.00 0.00 C ATOM 836 CE1 HIS A 59 -11.925 8.388 -5.611 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.246 8.678 -5.433 1.00 0.00 N ATOM 0 H HIS A 59 -10.053 10.769 -8.117 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.709 10.575 -10.444 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.759 9.853 -9.236 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.598 8.587 -9.581 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.769 9.413 -6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.249 8.019 -4.854 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.763 8.581 -4.559 1.00 0.00 H new ATOM 845 N LEU A 60 -11.788 12.170 -7.584 1.00 0.00 N ATOM 846 CA LEU A 60 -12.077 13.455 -6.971 1.00 0.00 C ATOM 847 C LEU A 60 -10.791 14.279 -6.892 1.00 0.00 C ATOM 848 O LEU A 60 -10.809 15.424 -6.442 1.00 0.00 O ATOM 849 CB LEU A 60 -12.768 13.261 -5.620 1.00 0.00 C ATOM 850 CG LEU A 60 -13.588 11.979 -5.464 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.297 11.944 -4.109 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.566 11.809 -6.627 1.00 0.00 C ATOM 0 H LEU A 60 -11.343 11.492 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.780 14.020 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.007 13.279 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.425 14.113 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.904 11.130 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.873 11.023 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.557 11.985 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.967 12.800 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.136 10.890 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.248 12.659 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.012 11.757 -7.564 1.00 0.00 H new ATOM 864 N ALA A 61 -9.704 13.665 -7.336 1.00 0.00 N ATOM 865 CA ALA A 61 -8.411 14.327 -7.321 1.00 0.00 C ATOM 866 C ALA A 61 -8.109 14.815 -5.902 1.00 0.00 C ATOM 867 O ALA A 61 -7.715 15.963 -5.707 1.00 0.00 O ATOM 868 CB ALA A 61 -8.409 15.467 -8.341 1.00 0.00 C ATOM 0 H ALA A 61 -9.692 12.716 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.621 13.632 -7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.439 15.964 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.599 15.065 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.187 16.186 -8.085 1.00 0.00 H new ATOM 874 N LEU A 62 -8.305 13.916 -4.948 1.00 0.00 N ATOM 875 CA LEU A 62 -8.059 14.240 -3.553 1.00 0.00 C ATOM 876 C LEU A 62 -6.898 13.389 -3.034 1.00 0.00 C ATOM 877 O LEU A 62 -6.551 12.373 -3.634 1.00 0.00 O ATOM 878 CB LEU A 62 -9.343 14.094 -2.734 1.00 0.00 C ATOM 879 CG LEU A 62 -9.689 15.268 -1.815 1.00 0.00 C ATOM 880 CD1 LEU A 62 -8.703 15.361 -0.650 1.00 0.00 C ATOM 881 CD2 LEU A 62 -9.771 16.576 -2.604 1.00 0.00 C ATOM 0 H LEU A 62 -8.631 12.964 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.761 15.283 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.174 13.940 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.262 13.193 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.675 15.088 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.971 16.203 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.739 14.440 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.695 15.506 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.018 17.394 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.810 16.775 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.543 16.492 -3.369 1.00 0.00 H new ATOM 893 N GLU A 63 -6.329 13.836 -1.923 1.00 0.00 N ATOM 894 CA GLU A 63 -5.215 13.128 -1.317 1.00 0.00 C ATOM 895 C GLU A 63 -5.289 13.229 0.208 1.00 0.00 C ATOM 896 O GLU A 63 -5.074 14.300 0.774 1.00 0.00 O ATOM 897 CB GLU A 63 -3.878 13.660 -1.837 1.00 0.00 C ATOM 898 CG GLU A 63 -3.650 13.241 -3.291 1.00 0.00 C ATOM 899 CD GLU A 63 -3.804 14.435 -4.236 1.00 0.00 C ATOM 900 OE1 GLU A 63 -4.525 15.378 -3.846 1.00 0.00 O ATOM 901 OE2 GLU A 63 -3.196 14.376 -5.327 1.00 0.00 O ATOM 0 H GLU A 63 -6.619 14.679 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.283 12.077 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.861 14.747 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.066 13.284 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.653 12.814 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.361 12.462 -3.565 1.00 0.00 H new ATOM 908 N ARG A 64 -5.594 12.100 0.830 1.00 0.00 N ATOM 909 CA ARG A 64 -5.698 12.048 2.279 1.00 0.00 C ATOM 910 C ARG A 64 -4.698 11.040 2.848 1.00 0.00 C ATOM 911 O ARG A 64 -4.438 10.005 2.237 1.00 0.00 O ATOM 912 CB ARG A 64 -7.111 11.655 2.715 1.00 0.00 C ATOM 913 CG ARG A 64 -7.276 11.793 4.230 1.00 0.00 C ATOM 914 CD ARG A 64 -8.091 13.040 4.581 1.00 0.00 C ATOM 915 NE ARG A 64 -9.517 12.682 4.749 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.421 13.463 5.354 1.00 0.00 C ATOM 917 NH1 ARG A 64 -10.054 14.652 5.852 1.00 0.00 N ATOM 918 NH2 ARG A 64 -11.694 13.057 5.461 1.00 0.00 N ATOM 0 H ARG A 64 -5.773 11.214 0.357 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.474 13.043 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.841 12.286 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.315 10.627 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.771 10.907 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.295 11.850 4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.709 13.487 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.985 13.787 3.794 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.831 11.784 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.086 14.962 5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.743 15.247 6.313 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.975 12.153 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.382 13.652 5.922 1.00 0.00 H new ATOM 932 N GLY A 65 -4.162 11.379 4.011 1.00 0.00 N ATOM 933 CA GLY A 65 -3.196 10.517 4.670 1.00 0.00 C ATOM 934 C GLY A 65 -3.771 9.935 5.963 1.00 0.00 C ATOM 935 O GLY A 65 -4.424 10.642 6.729 1.00 0.00 O ATOM 0 H GLY A 65 -4.379 12.239 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.909 9.707 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.291 11.083 4.893 1.00 0.00 H new ATOM 939 N LEU A 66 -3.506 8.653 6.166 1.00 0.00 N ATOM 940 CA LEU A 66 -3.989 7.969 7.354 1.00 0.00 C ATOM 941 C LEU A 66 -2.802 7.612 8.250 1.00 0.00 C ATOM 942 O LEU A 66 -1.681 7.452 7.768 1.00 0.00 O ATOM 943 CB LEU A 66 -4.850 6.765 6.965 1.00 0.00 C ATOM 944 CG LEU A 66 -4.229 5.793 5.959 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.743 4.370 6.183 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.462 6.268 4.523 1.00 0.00 C ATOM 0 H LEU A 66 -2.964 8.070 5.529 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.640 8.624 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.096 6.211 7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.789 7.133 6.552 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.151 5.775 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.286 3.699 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.483 4.044 7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.826 4.351 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.011 5.560 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.533 6.333 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.008 7.250 4.386 1.00 0.00 H new ATOM 958 N GLU A 67 -3.087 7.498 9.539 1.00 0.00 N ATOM 959 CA GLU A 67 -2.057 7.163 10.507 1.00 0.00 C ATOM 960 C GLU A 67 -1.744 5.667 10.453 1.00 0.00 C ATOM 961 O GLU A 67 -2.286 4.945 9.617 1.00 0.00 O ATOM 962 CB GLU A 67 -2.471 7.586 11.917 1.00 0.00 C ATOM 963 CG GLU A 67 -1.977 9.000 12.234 1.00 0.00 C ATOM 964 CD GLU A 67 -0.976 8.984 13.390 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.413 8.659 14.515 1.00 0.00 O ATOM 966 OE2 GLU A 67 0.204 9.299 13.123 1.00 0.00 O ATOM 0 H GLU A 67 -4.017 7.632 9.935 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.152 7.713 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.557 7.548 12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.065 6.884 12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.510 9.433 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.824 9.636 12.490 1.00 0.00 H new ATOM 973 N ASP A 68 -0.871 5.244 11.355 1.00 0.00 N ATOM 974 CA ASP A 68 -0.479 3.846 11.421 1.00 0.00 C ATOM 975 C ASP A 68 -1.655 3.016 11.941 1.00 0.00 C ATOM 976 O ASP A 68 -2.075 2.057 11.295 1.00 0.00 O ATOM 977 CB ASP A 68 0.698 3.649 12.377 1.00 0.00 C ATOM 978 CG ASP A 68 0.703 4.572 13.597 1.00 0.00 C ATOM 979 OD1 ASP A 68 0.950 5.780 13.393 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.460 4.049 14.706 1.00 0.00 O ATOM 0 H ASP A 68 -0.423 5.845 12.047 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.187 3.529 10.420 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.696 2.615 12.723 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.625 3.799 11.823 1.00 0.00 H new ATOM 985 N HIS A 69 -2.152 3.415 13.102 1.00 0.00 N ATOM 986 CA HIS A 69 -3.271 2.720 13.715 1.00 0.00 C ATOM 987 C HIS A 69 -4.348 2.451 12.662 1.00 0.00 C ATOM 988 O HIS A 69 -4.943 1.375 12.638 1.00 0.00 O ATOM 989 CB HIS A 69 -3.801 3.500 14.920 1.00 0.00 C ATOM 990 CG HIS A 69 -4.627 4.710 14.554 1.00 0.00 C ATOM 991 ND1 HIS A 69 -4.066 5.943 14.271 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.976 4.862 14.425 1.00 0.00 C ATOM 993 CE1 HIS A 69 -5.043 6.792 13.988 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.226 6.120 14.084 1.00 0.00 N ATOM 0 H HIS A 69 -1.800 4.211 13.635 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.938 1.755 14.098 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.405 2.833 15.534 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.958 3.820 15.532 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.716 4.089 14.575 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.924 7.833 13.727 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.151 6.519 13.921 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.567 3.449 11.818 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.562 3.334 10.766 1.00 0.00 C ATOM 1004 C GLU A 70 -5.370 2.027 9.995 1.00 0.00 C ATOM 1005 O GLU A 70 -4.277 1.743 9.508 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.506 4.539 9.825 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.039 5.797 10.512 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.569 5.794 10.553 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.166 5.921 9.462 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.106 5.663 11.674 1.00 0.00 O ATOM 0 H GLU A 70 -4.072 4.341 11.842 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.550 3.320 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.478 4.705 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.093 4.333 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.645 5.856 11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.688 6.682 9.981 1.00 0.00 H new ATOM 1017 N SER A 71 -6.451 1.264 9.908 1.00 0.00 N ATOM 1018 CA SER A 71 -6.416 -0.006 9.204 1.00 0.00 C ATOM 1019 C SER A 71 -6.679 0.213 7.713 1.00 0.00 C ATOM 1020 O SER A 71 -7.737 0.714 7.334 1.00 0.00 O ATOM 1021 CB SER A 71 -7.437 -0.986 9.785 1.00 0.00 C ATOM 1022 OG SER A 71 -6.874 -2.276 10.005 1.00 0.00 O ATOM 0 H SER A 71 -7.356 1.502 10.314 1.00 0.00 H new ATOM 0 HA SER A 71 -5.424 -0.439 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.822 -0.593 10.726 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.285 -1.072 9.105 1.00 0.00 H new ATOM 0 HG SER A 71 -7.557 -2.872 10.378 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.700 -0.172 6.909 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.813 -0.023 5.468 1.00 0.00 C ATOM 1030 C VAL A 72 -7.135 -0.636 4.998 1.00 0.00 C ATOM 1031 O VAL A 72 -7.806 -0.081 4.129 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.592 -0.638 4.781 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.437 0.363 4.717 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.162 -1.929 5.480 1.00 0.00 C ATOM 0 H VAL A 72 -4.824 -0.587 7.228 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.827 1.032 5.193 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.874 -0.889 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.582 -0.099 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.749 1.243 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.156 0.660 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.292 -2.346 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.907 -1.713 6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.980 -2.649 5.449 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.469 -1.771 5.594 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.698 -2.464 5.248 1.00 0.00 C ATOM 1046 C VAL A 73 -9.896 -1.619 5.687 1.00 0.00 C ATOM 1047 O VAL A 73 -10.685 -1.176 4.854 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.698 -3.866 5.861 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -9.983 -4.618 5.509 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.463 -4.656 5.425 1.00 0.00 C ATOM 0 H VAL A 73 -6.910 -2.228 6.314 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.772 -2.596 4.168 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.660 -3.757 6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.957 -5.611 5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.843 -4.069 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.066 -4.710 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.488 -5.648 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.456 -4.750 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.563 -4.133 5.750 1.00 0.00 H new ATOM 1060 N GLU A 74 -9.994 -1.422 6.993 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.082 -0.638 7.552 1.00 0.00 C ATOM 1062 C GLU A 74 -11.259 0.662 6.765 1.00 0.00 C ATOM 1063 O GLU A 74 -12.381 1.122 6.564 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.846 -0.353 9.037 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.899 -1.642 9.858 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.940 -1.539 10.975 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -11.622 -0.880 11.988 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -13.030 -2.122 10.790 1.00 0.00 O ATOM 0 H GLU A 74 -9.338 -1.792 7.681 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.001 -1.218 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.876 0.127 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.599 0.345 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.141 -2.482 9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.918 -1.844 10.288 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.133 1.217 6.341 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.149 2.455 5.581 1.00 0.00 C ATOM 1077 C VAL A 75 -10.492 2.148 4.122 1.00 0.00 C ATOM 1078 O VAL A 75 -11.156 2.941 3.456 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.814 3.185 5.740 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.816 4.506 4.968 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.486 3.412 7.217 1.00 0.00 C ATOM 0 H VAL A 75 -9.204 0.832 6.509 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.918 3.127 5.962 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.033 2.552 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.856 5.005 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.982 4.308 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.612 5.147 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.532 3.933 7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.270 4.014 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.422 2.451 7.727 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.025 0.994 3.668 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.275 0.572 2.300 1.00 0.00 C ATOM 1093 C GLN A 76 -11.746 0.191 2.121 1.00 0.00 C ATOM 1094 O GLN A 76 -12.312 0.373 1.044 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.357 -0.588 1.908 1.00 0.00 C ATOM 1096 CG GLN A 76 -10.008 -1.464 0.836 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.950 -2.103 -0.067 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.874 -1.843 -1.256 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.142 -2.951 0.563 1.00 0.00 N ATOM 0 H GLN A 76 -9.475 0.338 4.223 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.054 1.408 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.409 -0.197 1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.131 -1.191 2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.605 -2.243 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.690 -0.863 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.261 -3.123 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.403 -3.429 0.048 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.323 -0.331 3.194 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.717 -0.739 3.169 1.00 0.00 C ATOM 1110 C ALA A 77 -14.609 0.501 3.271 1.00 0.00 C ATOM 1111 O ALA A 77 -15.724 0.512 2.751 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.977 -1.738 4.298 1.00 0.00 C ATOM 0 H ALA A 77 -11.850 -0.481 4.085 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.954 -1.239 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.023 -2.044 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.340 -2.613 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.753 -1.270 5.257 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.084 1.514 3.944 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.818 2.755 4.120 1.00 0.00 C ATOM 1120 C ALA A 78 -14.988 3.440 2.762 1.00 0.00 C ATOM 1121 O ALA A 78 -15.992 4.108 2.521 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.089 3.641 5.133 1.00 0.00 C ATOM 0 H ALA A 78 -13.159 1.501 4.374 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.814 2.558 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.640 4.572 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.021 3.121 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.086 3.862 4.768 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.990 3.251 1.911 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.016 3.842 0.584 1.00 0.00 C ATOM 1130 C TRP A 79 -15.406 3.608 -0.010 1.00 0.00 C ATOM 1131 O TRP A 79 -16.005 2.555 0.198 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.891 3.281 -0.288 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.504 3.827 0.058 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.200 4.863 0.852 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.238 3.321 -0.416 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.836 5.060 0.925 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.232 4.093 0.130 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.952 2.247 -1.276 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.874 3.872 -0.124 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.589 2.040 -1.520 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.565 2.807 -0.979 1.00 0.00 C ATOM 0 H TRP A 79 -13.158 2.697 2.115 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.836 4.916 0.636 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.877 2.195 -0.191 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.108 3.505 -1.332 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.930 5.467 1.369 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.359 5.783 1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.723 1.630 -1.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.105 4.490 0.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.314 1.227 -2.175 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.536 2.583 -1.217 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.891 4.636 -0.758 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.200 4.553 -1.384 1.00 0.00 C ATOM 1154 C PRO A 80 -17.165 3.634 -2.607 1.00 0.00 C ATOM 1155 O PRO A 80 -16.092 3.286 -3.096 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.562 5.988 -1.730 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.256 6.764 -1.710 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.210 5.899 -1.026 1.00 0.00 C ATOM 0 HA PRO A 80 -17.952 4.113 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.036 6.046 -2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.270 6.397 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.943 7.011 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.380 7.706 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.339 5.752 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.855 6.361 -0.105 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.353 3.266 -3.065 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.472 2.394 -4.221 1.00 0.00 C ATOM 1168 C VAL A 81 -18.486 3.242 -5.494 1.00 0.00 C ATOM 1169 O VAL A 81 -19.306 4.149 -5.632 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.710 1.506 -4.081 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.992 2.338 -4.147 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.716 0.403 -5.141 1.00 0.00 C ATOM 0 H VAL A 81 -19.241 3.556 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.614 1.725 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.671 1.029 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.857 1.682 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.993 3.069 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -21.041 2.856 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -20.606 -0.214 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.719 0.853 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.827 -0.217 -5.026 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.568 2.917 -6.393 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.464 3.638 -7.651 1.00 0.00 C ATOM 1184 C GLY A 82 -16.026 4.093 -7.905 1.00 0.00 C ATOM 1185 O GLY A 82 -15.358 3.580 -8.802 1.00 0.00 O ATOM 0 H GLY A 82 -16.890 2.164 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.797 2.999 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.126 4.504 -7.634 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.591 5.050 -7.099 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.244 5.580 -7.226 1.00 0.00 C ATOM 1191 C GLY A 83 -13.200 4.496 -6.947 1.00 0.00 C ATOM 1192 O GLY A 83 -13.237 3.847 -5.903 1.00 0.00 O ATOM 0 H GLY A 83 -16.147 5.472 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.100 5.979 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.108 6.408 -6.531 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.293 4.334 -7.899 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.241 3.340 -7.770 1.00 0.00 C ATOM 1198 C ASP A 84 -10.172 3.859 -6.806 1.00 0.00 C ATOM 1199 O ASP A 84 -9.002 3.963 -7.169 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.571 3.069 -9.118 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.301 2.065 -10.013 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.452 1.726 -9.663 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -10.691 1.660 -11.026 1.00 0.00 O ATOM 0 H ASP A 84 -12.265 4.875 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.690 2.419 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.478 4.012 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.560 2.704 -8.937 1.00 0.00 H new ATOM 1208 N SER A 85 -10.613 4.170 -5.596 1.00 0.00 N ATOM 1209 CA SER A 85 -9.708 4.675 -4.577 1.00 0.00 C ATOM 1210 C SER A 85 -8.494 3.752 -4.451 1.00 0.00 C ATOM 1211 O SER A 85 -8.622 2.534 -4.557 1.00 0.00 O ATOM 1212 CB SER A 85 -10.416 4.806 -3.227 1.00 0.00 C ATOM 1213 OG SER A 85 -11.591 5.607 -3.317 1.00 0.00 O ATOM 0 H SER A 85 -11.585 4.082 -5.298 1.00 0.00 H new ATOM 0 HA SER A 85 -9.373 5.667 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.680 3.815 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.733 5.245 -2.500 1.00 0.00 H new ATOM 0 HG SER A 85 -11.370 6.538 -3.104 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.343 4.369 -4.228 1.00 0.00 N ATOM 1220 CA ARG A 86 -6.106 3.619 -4.087 1.00 0.00 C ATOM 1221 C ARG A 86 -5.218 4.255 -3.016 1.00 0.00 C ATOM 1222 O ARG A 86 -5.452 5.390 -2.605 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.340 3.567 -5.410 1.00 0.00 C ATOM 1224 CG ARG A 86 -5.020 4.976 -5.915 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.527 5.279 -5.784 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.180 6.471 -6.590 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.217 6.509 -7.929 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -3.586 5.422 -8.620 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.886 7.635 -8.576 1.00 0.00 N ATOM 0 H ARG A 86 -7.241 5.380 -4.141 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.367 2.603 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.415 3.006 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.931 3.035 -6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.324 5.070 -6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.595 5.709 -5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.273 5.450 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.943 4.421 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.895 7.316 -6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.839 4.566 -8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.614 5.451 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.606 8.462 -8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.914 7.665 -9.595 1.00 0.00 H new ATOM 1243 N PHE A 87 -4.218 3.495 -2.594 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.294 3.970 -1.578 1.00 0.00 C ATOM 1245 C PHE A 87 -1.982 4.441 -2.208 1.00 0.00 C ATOM 1246 O PHE A 87 -1.699 4.133 -3.365 1.00 0.00 O ATOM 1247 CB PHE A 87 -3.006 2.790 -0.649 1.00 0.00 C ATOM 1248 CG PHE A 87 -4.016 2.632 0.489 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -3.977 3.475 1.555 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.954 1.649 0.434 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.915 3.328 2.611 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.892 1.502 1.490 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.853 2.345 2.556 1.00 0.00 C ATOM 0 H PHE A 87 -4.027 2.554 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.731 4.812 -1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.991 1.873 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.010 2.911 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.233 4.256 1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.986 0.980 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.883 3.997 3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.636 0.721 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.567 2.234 3.359 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.215 5.179 -1.419 1.00 0.00 N ATOM 1264 CA VAL A 88 0.061 5.695 -1.885 1.00 0.00 C ATOM 1265 C VAL A 88 1.070 5.663 -0.735 1.00 0.00 C ATOM 1266 O VAL A 88 0.713 5.911 0.415 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.125 7.093 -2.478 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.216 7.817 -2.607 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -0.844 7.025 -3.827 1.00 0.00 C ATOM 0 H VAL A 88 -1.453 5.432 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 88 0.458 5.068 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.750 7.667 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.055 8.808 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.674 7.913 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.876 7.246 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.964 8.032 -4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.257 6.426 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.825 6.569 -3.694 1.00 0.00 H new ATOM 1279 N PHE A 89 2.309 5.355 -1.087 1.00 0.00 N ATOM 1280 CA PHE A 89 3.372 5.287 -0.098 1.00 0.00 C ATOM 1281 C PHE A 89 4.256 6.534 -0.157 1.00 0.00 C ATOM 1282 O PHE A 89 4.949 6.762 -1.147 1.00 0.00 O ATOM 1283 CB PHE A 89 4.220 4.059 -0.437 1.00 0.00 C ATOM 1284 CG PHE A 89 5.110 3.581 0.712 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.610 3.511 1.975 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.400 3.225 0.471 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.436 3.067 3.042 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.226 2.781 1.537 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.726 2.712 2.800 1.00 0.00 C ATOM 0 H PHE A 89 2.601 5.150 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 89 2.946 5.224 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.559 3.245 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.848 4.290 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.585 3.793 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.797 3.280 -0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.039 3.011 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.251 2.498 1.345 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.354 2.375 3.611 1.00 0.00 H new ATOM 1299 N ARG A 90 4.203 7.309 0.916 1.00 0.00 N ATOM 1300 CA ARG A 90 4.990 8.528 1.000 1.00 0.00 C ATOM 1301 C ARG A 90 5.678 8.623 2.363 1.00 0.00 C ATOM 1302 O ARG A 90 5.320 7.904 3.295 1.00 0.00 O ATOM 1303 CB ARG A 90 4.113 9.765 0.791 1.00 0.00 C ATOM 1304 CG ARG A 90 3.698 9.901 -0.675 1.00 0.00 C ATOM 1305 CD ARG A 90 2.698 11.045 -0.857 1.00 0.00 C ATOM 1306 NE ARG A 90 2.086 10.973 -2.202 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.490 12.006 -2.813 1.00 0.00 C ATOM 1308 NH1 ARG A 90 1.423 13.197 -2.203 1.00 0.00 N ATOM 1309 NH2 ARG A 90 0.962 11.848 -4.034 1.00 0.00 N ATOM 0 H ARG A 90 3.627 7.116 1.735 1.00 0.00 H new ATOM 0 HA ARG A 90 5.742 8.492 0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.225 9.696 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.656 10.657 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.579 10.082 -1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.254 8.967 -1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.923 10.987 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.202 12.003 -0.728 1.00 0.00 H new ATOM 0 HE ARG A 90 2.120 10.081 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.826 13.317 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.969 13.983 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.014 10.941 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.508 12.634 -4.499 1.00 0.00 H new ATOM 1323 N LYS A 91 6.654 9.516 2.436 1.00 0.00 N ATOM 1324 CA LYS A 91 7.396 9.714 3.669 1.00 0.00 C ATOM 1325 C LYS A 91 7.047 11.084 4.255 1.00 0.00 C ATOM 1326 O LYS A 91 6.873 11.219 5.465 1.00 0.00 O ATOM 1327 CB LYS A 91 8.894 9.510 3.432 1.00 0.00 C ATOM 1328 CG LYS A 91 9.471 10.634 2.569 1.00 0.00 C ATOM 1329 CD LYS A 91 10.874 10.279 2.073 1.00 0.00 C ATOM 1330 CE LYS A 91 10.885 10.081 0.556 1.00 0.00 C ATOM 1331 NZ LYS A 91 11.119 11.370 -0.134 1.00 0.00 N ATOM 0 H LYS A 91 6.948 10.110 1.661 1.00 0.00 H new ATOM 0 HA LYS A 91 7.110 8.967 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.416 9.477 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.061 8.550 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.816 10.816 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.508 11.558 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.571 11.071 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.218 9.369 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.663 9.369 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.935 9.656 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.123 11.217 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.362 12.039 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.036 11.761 0.162 1.00 0.00 H new