USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 671 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 Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 63:sc= 0.529 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 153:sc= -1.53 (180deg=-3.77!) USER MOD Single : A 26 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.4!) USER MOD Single : A 27 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.11) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0343) USER MOD Single : A 38 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.4) USER MOD Single : A 40 TYR OH : rot 120:sc= -1.22 USER MOD Single : A 42 GLN : amide:sc= -0.139 K(o=-0.14,f=-3.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -23:sc= 0.335 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -7.79! C(o=-7.8!,f=-12!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 67 SER OG : rot 120:sc= 0.427 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.122 USER MOD Single : A 86 ASN : amide:sc= -4.36! C(o=-4.4!,f=-12!) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00863 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.856 -14.927 -4.197 1.00 0.00 N ATOM 60 CA GLY A 7 -5.961 -13.529 -3.816 1.00 0.00 C ATOM 61 C GLY A 7 -5.939 -12.622 -5.048 1.00 0.00 C ATOM 62 O GLY A 7 -6.469 -12.981 -6.098 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.884 -13.369 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.137 -13.266 -3.152 1.00 0.00 H new ATOM 66 N MET A 8 -5.320 -11.463 -4.878 1.00 0.00 N ATOM 67 CA MET A 8 -5.222 -10.501 -5.963 1.00 0.00 C ATOM 68 C MET A 8 -3.922 -9.699 -5.870 1.00 0.00 C ATOM 69 O MET A 8 -3.205 -9.787 -4.874 1.00 0.00 O ATOM 70 CB MET A 8 -6.416 -9.546 -5.909 1.00 0.00 C ATOM 71 CG MET A 8 -6.654 -9.047 -4.482 1.00 0.00 C ATOM 72 SD MET A 8 -8.399 -9.079 -4.108 1.00 0.00 S ATOM 73 CE MET A 8 -8.839 -7.403 -4.536 1.00 0.00 C ATOM 0 H MET A 8 -4.881 -11.168 -4.006 1.00 0.00 H new ATOM 0 HA MET A 8 -5.224 -11.046 -6.907 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.238 -8.698 -6.570 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.309 -10.053 -6.275 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.110 -9.672 -3.774 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.269 -8.033 -4.373 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.904 -7.250 -4.361 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.267 -6.708 -3.921 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.615 -7.225 -5.588 1.00 0.00 H new ATOM 83 N THR A 9 -3.657 -8.937 -6.920 1.00 0.00 N ATOM 84 CA THR A 9 -2.456 -8.120 -6.969 1.00 0.00 C ATOM 85 C THR A 9 -2.822 -6.643 -7.130 1.00 0.00 C ATOM 86 O THR A 9 -3.039 -6.172 -8.246 1.00 0.00 O ATOM 87 CB THR A 9 -1.568 -8.653 -8.095 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.789 -9.671 -7.471 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.534 -7.626 -8.561 1.00 0.00 C ATOM 0 H THR A 9 -4.254 -8.868 -7.744 1.00 0.00 H new ATOM 0 HA THR A 9 -1.896 -8.183 -6.036 1.00 0.00 H new ATOM 0 HB THR A 9 -2.191 -8.950 -8.939 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.185 -10.072 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.070 -8.055 -9.361 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.045 -6.736 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.111 -7.354 -7.725 1.00 0.00 H new ATOM 97 N VAL A 10 -2.878 -5.954 -6.000 1.00 0.00 N ATOM 98 CA VAL A 10 -3.213 -4.540 -6.003 1.00 0.00 C ATOM 99 C VAL A 10 -1.938 -3.718 -6.204 1.00 0.00 C ATOM 100 O VAL A 10 -1.068 -3.693 -5.335 1.00 0.00 O ATOM 101 CB VAL A 10 -3.962 -4.178 -4.718 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.282 -2.682 -4.674 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.233 -5.016 -4.570 1.00 0.00 C ATOM 0 H VAL A 10 -2.697 -6.348 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.883 -4.308 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.311 -4.406 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.814 -2.451 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.355 -2.110 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.905 -2.418 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.746 -4.739 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.890 -4.834 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.970 -6.073 -4.535 1.00 0.00 H new ATOM 113 N ARG A 11 -1.868 -3.066 -7.355 1.00 0.00 N ATOM 114 CA ARG A 11 -0.715 -2.245 -7.681 1.00 0.00 C ATOM 115 C ARG A 11 -0.866 -0.850 -7.072 1.00 0.00 C ATOM 116 O ARG A 11 -1.928 -0.238 -7.171 1.00 0.00 O ATOM 117 CB ARG A 11 -0.541 -2.117 -9.196 1.00 0.00 C ATOM 118 CG ARG A 11 -0.157 -3.460 -9.819 1.00 0.00 C ATOM 119 CD ARG A 11 0.740 -3.260 -11.043 1.00 0.00 C ATOM 120 NE ARG A 11 1.012 -4.563 -11.689 1.00 0.00 N ATOM 121 CZ ARG A 11 2.064 -4.802 -12.484 1.00 0.00 C ATOM 122 NH1 ARG A 11 2.950 -3.828 -12.735 1.00 0.00 N ATOM 123 NH2 ARG A 11 2.231 -6.016 -13.028 1.00 0.00 N ATOM 0 H ARG A 11 -2.591 -3.090 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 11 0.167 -2.732 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.467 -1.756 -9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.228 -1.377 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.360 -4.073 -9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.058 -4.002 -10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.257 -2.587 -11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.677 -2.790 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 11 0.358 -5.327 -11.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.824 -2.904 -12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.751 -4.010 -13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.557 -6.758 -12.837 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.032 -6.198 -13.633 1.00 0.00 H new ATOM 137 N VAL A 12 0.212 -0.388 -6.454 1.00 0.00 N ATOM 138 CA VAL A 12 0.212 0.923 -5.829 1.00 0.00 C ATOM 139 C VAL A 12 1.249 1.812 -6.518 1.00 0.00 C ATOM 140 O VAL A 12 2.416 1.828 -6.127 1.00 0.00 O ATOM 141 CB VAL A 12 0.448 0.785 -4.324 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.417 2.152 -3.637 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.570 -0.168 -3.694 1.00 0.00 C ATOM 0 H VAL A 12 1.091 -0.899 -6.373 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.759 1.403 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 12 1.441 0.359 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.587 2.026 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.197 2.788 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.555 2.618 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.380 -0.248 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.577 0.217 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.480 -1.152 -4.153 1.00 0.00 H new ATOM 153 N CYS A 13 0.788 2.529 -7.532 1.00 0.00 N ATOM 154 CA CYS A 13 1.662 3.418 -8.279 1.00 0.00 C ATOM 155 C CYS A 13 1.941 4.651 -7.418 1.00 0.00 C ATOM 156 O CYS A 13 1.268 5.672 -7.552 1.00 0.00 O ATOM 157 CB CYS A 13 1.061 3.793 -9.635 1.00 0.00 C ATOM 158 SG CYS A 13 0.205 2.348 -10.361 1.00 0.00 S ATOM 0 H CYS A 13 -0.180 2.513 -7.854 1.00 0.00 H new ATOM 0 HA CYS A 13 2.601 2.910 -8.499 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.360 4.619 -9.515 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.847 4.137 -10.308 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.781 1.995 -9.590 1.00 0.00 H new ATOM 164 N LYS A 14 2.936 4.517 -6.553 1.00 0.00 N ATOM 165 CA LYS A 14 3.313 5.608 -5.670 1.00 0.00 C ATOM 166 C LYS A 14 3.210 6.932 -6.430 1.00 0.00 C ATOM 167 O LYS A 14 3.352 6.963 -7.652 1.00 0.00 O ATOM 168 CB LYS A 14 4.694 5.353 -5.063 1.00 0.00 C ATOM 169 CG LYS A 14 4.635 4.240 -4.014 1.00 0.00 C ATOM 170 CD LYS A 14 5.688 4.457 -2.926 1.00 0.00 C ATOM 171 CE LYS A 14 7.075 4.029 -3.411 1.00 0.00 C ATOM 172 NZ LYS A 14 8.099 4.330 -2.386 1.00 0.00 N ATOM 0 H LYS A 14 3.493 3.669 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 14 2.626 5.670 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.396 5.079 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.069 6.269 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.643 4.211 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.796 3.274 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.708 5.508 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.419 3.888 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.076 2.962 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.318 4.547 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.034 4.033 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.109 5.352 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.875 3.816 -1.510 1.00 0.00 H new ATOM 237 N VAL A 19 5.593 1.575 -8.876 1.00 0.00 N ATOM 238 CA VAL A 19 4.400 0.854 -8.465 1.00 0.00 C ATOM 239 C VAL A 19 4.809 -0.432 -7.744 1.00 0.00 C ATOM 240 O VAL A 19 5.694 -1.152 -8.206 1.00 0.00 O ATOM 241 CB VAL A 19 3.499 0.600 -9.675 1.00 0.00 C ATOM 242 CG1 VAL A 19 4.326 0.227 -10.907 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.457 -0.478 -9.367 1.00 0.00 C ATOM 0 HA VAL A 19 3.817 1.450 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 19 2.968 1.526 -9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.661 0.052 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.010 1.041 -11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.897 -0.678 -10.701 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.830 -0.639 -10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.962 -1.408 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.836 -0.156 -8.531 1.00 0.00 H new ATOM 253 N MET A 20 4.147 -0.682 -6.625 1.00 0.00 N ATOM 254 CA MET A 20 4.431 -1.869 -5.836 1.00 0.00 C ATOM 255 C MET A 20 3.242 -2.832 -5.848 1.00 0.00 C ATOM 256 O MET A 20 2.133 -2.460 -5.469 1.00 0.00 O ATOM 257 CB MET A 20 4.743 -1.461 -4.394 1.00 0.00 C ATOM 258 CG MET A 20 5.883 -0.441 -4.348 1.00 0.00 C ATOM 259 SD MET A 20 5.452 0.907 -3.260 1.00 0.00 S ATOM 260 CE MET A 20 4.678 -0.002 -1.932 1.00 0.00 C ATOM 0 H MET A 20 3.414 -0.083 -6.245 1.00 0.00 H new ATOM 0 HA MET A 20 5.291 -2.377 -6.274 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.852 -1.037 -3.931 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.015 -2.342 -3.813 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.798 -0.921 -4.001 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.083 -0.061 -5.350 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.779 0.557 -1.002 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.621 -0.145 -2.157 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.161 -0.973 -1.826 1.00 0.00 H new ATOM 270 N PRO A 21 3.522 -4.084 -6.298 1.00 0.00 N ATOM 271 CA PRO A 21 2.489 -5.104 -6.365 1.00 0.00 C ATOM 272 C PRO A 21 2.160 -5.642 -4.971 1.00 0.00 C ATOM 273 O PRO A 21 2.949 -6.381 -4.384 1.00 0.00 O ATOM 274 CB PRO A 21 3.047 -6.169 -7.296 1.00 0.00 C ATOM 275 CG PRO A 21 4.548 -5.933 -7.347 1.00 0.00 C ATOM 276 CD PRO A 21 4.825 -4.561 -6.755 1.00 0.00 C ATOM 0 HA PRO A 21 1.542 -4.720 -6.744 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.821 -7.169 -6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.605 -6.090 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.075 -6.704 -6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.908 -5.985 -8.375 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.536 -4.622 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.255 -3.889 -7.498 1.00 0.00 H new ATOM 284 N VAL A 22 0.992 -5.251 -4.481 1.00 0.00 N ATOM 285 CA VAL A 22 0.549 -5.685 -3.167 1.00 0.00 C ATOM 286 C VAL A 22 -0.505 -6.783 -3.326 1.00 0.00 C ATOM 287 O VAL A 22 -1.279 -6.772 -4.282 1.00 0.00 O ATOM 288 CB VAL A 22 0.045 -4.485 -2.363 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.345 -4.902 -0.943 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.086 -3.364 -2.339 1.00 0.00 C ATOM 0 H VAL A 22 0.339 -4.639 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 22 1.380 -6.111 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.848 -4.102 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.700 -4.031 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.137 -5.650 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.523 -5.323 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.702 -2.523 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.005 -3.730 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.294 -3.039 -3.358 1.00 0.00 H new ATOM 300 N VAL A 23 -0.500 -7.705 -2.375 1.00 0.00 N ATOM 301 CA VAL A 23 -1.446 -8.808 -2.398 1.00 0.00 C ATOM 302 C VAL A 23 -2.347 -8.727 -1.164 1.00 0.00 C ATOM 303 O VAL A 23 -1.889 -8.373 -0.079 1.00 0.00 O ATOM 304 CB VAL A 23 -0.696 -10.138 -2.504 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.609 -11.312 -2.144 1.00 0.00 C ATOM 306 CG2 VAL A 23 -0.095 -10.318 -3.899 1.00 0.00 C ATOM 0 H VAL A 23 0.144 -7.711 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.089 -8.742 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 23 0.124 -10.119 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.052 -12.245 -2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.968 -11.194 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.459 -11.335 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.432 -11.271 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.892 -10.306 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.603 -9.506 -4.102 1.00 0.00 H new ATOM 316 N VAL A 24 -3.613 -9.060 -1.372 1.00 0.00 N ATOM 317 CA VAL A 24 -4.582 -9.029 -0.290 1.00 0.00 C ATOM 318 C VAL A 24 -5.599 -10.155 -0.490 1.00 0.00 C ATOM 319 O VAL A 24 -5.471 -10.955 -1.416 1.00 0.00 O ATOM 320 CB VAL A 24 -5.231 -7.646 -0.209 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.452 -6.730 0.738 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.359 -7.017 -1.598 1.00 0.00 C ATOM 0 H VAL A 24 -3.990 -9.352 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.091 -9.200 0.668 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.235 -7.771 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.934 -5.753 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.436 -7.168 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.430 -6.616 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.823 -6.035 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.369 -6.912 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.976 -7.655 -2.231 1.00 0.00 H new ATOM 332 N VAL A 25 -6.585 -10.182 0.394 1.00 0.00 N ATOM 333 CA VAL A 25 -7.623 -11.197 0.326 1.00 0.00 C ATOM 334 C VAL A 25 -8.670 -10.781 -0.709 1.00 0.00 C ATOM 335 O VAL A 25 -8.947 -9.594 -0.875 1.00 0.00 O ATOM 336 CB VAL A 25 -8.217 -11.431 1.717 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.147 -11.922 2.694 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.900 -10.167 2.241 1.00 0.00 C ATOM 0 H VAL A 25 -6.687 -9.518 1.161 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.205 -12.150 0.001 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.975 -12.210 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.595 -12.081 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.726 -12.860 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.356 -11.176 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.314 -10.361 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.171 -9.359 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.703 -9.879 1.562 1.00 0.00 H new ATOM 348 N GLN A 26 -9.224 -11.782 -1.378 1.00 0.00 N ATOM 349 CA GLN A 26 -10.235 -11.535 -2.392 1.00 0.00 C ATOM 350 C GLN A 26 -11.256 -10.514 -1.886 1.00 0.00 C ATOM 351 O GLN A 26 -11.860 -9.791 -2.677 1.00 0.00 O ATOM 352 CB GLN A 26 -10.922 -12.837 -2.810 1.00 0.00 C ATOM 353 CG GLN A 26 -10.433 -13.298 -4.184 1.00 0.00 C ATOM 354 CD GLN A 26 -11.531 -14.060 -4.929 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.704 -13.992 -4.599 1.00 0.00 O ATOM 356 NE2 GLN A 26 -11.087 -14.789 -5.949 1.00 0.00 N ATOM 0 H GLN A 26 -8.992 -12.765 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.744 -11.122 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.722 -13.612 -2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.002 -12.691 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.122 -12.434 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.557 -13.937 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.092 -14.802 -6.172 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.742 -15.335 -6.509 1.00 0.00 H new ATOM 365 N ASN A 27 -11.418 -10.487 -0.572 1.00 0.00 N ATOM 366 CA ASN A 27 -12.355 -9.567 0.049 1.00 0.00 C ATOM 367 C ASN A 27 -11.612 -8.694 1.061 1.00 0.00 C ATOM 368 O ASN A 27 -11.921 -8.716 2.251 1.00 0.00 O ATOM 369 CB ASN A 27 -13.457 -10.322 0.795 1.00 0.00 C ATOM 370 CG ASN A 27 -14.770 -9.538 0.774 1.00 0.00 C ATOM 371 OD1 ASN A 27 -15.681 -9.824 0.014 1.00 0.00 O ATOM 372 ND2 ASN A 27 -14.817 -8.537 1.648 1.00 0.00 N ATOM 0 H ASN A 27 -10.915 -11.088 0.081 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.803 -8.961 -0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.606 -11.300 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.150 -10.496 1.826 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.652 -7.954 1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.018 -8.352 2.255 1.00 0.00 H new ATOM 379 N ALA A 28 -10.645 -7.945 0.551 1.00 0.00 N ATOM 380 CA ALA A 28 -9.854 -7.066 1.396 1.00 0.00 C ATOM 381 C ALA A 28 -10.485 -5.672 1.406 1.00 0.00 C ATOM 382 O ALA A 28 -11.399 -5.395 0.630 1.00 0.00 O ATOM 383 CB ALA A 28 -8.407 -7.047 0.901 1.00 0.00 C ATOM 0 H ALA A 28 -10.391 -7.929 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.842 -7.430 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.814 -6.388 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.995 -8.056 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.379 -6.684 -0.126 1.00 0.00 H new ATOM 389 N THR A 29 -9.973 -4.831 2.293 1.00 0.00 N ATOM 390 CA THR A 29 -10.475 -3.473 2.414 1.00 0.00 C ATOM 391 C THR A 29 -9.317 -2.474 2.411 1.00 0.00 C ATOM 392 O THR A 29 -8.160 -2.860 2.248 1.00 0.00 O ATOM 393 CB THR A 29 -11.339 -3.399 3.674 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.403 -3.500 4.744 1.00 0.00 O ATOM 395 CG2 THR A 29 -12.233 -4.629 3.845 1.00 0.00 C ATOM 0 H THR A 29 -9.215 -5.064 2.935 1.00 0.00 H new ATOM 0 HA THR A 29 -11.097 -3.204 1.560 1.00 0.00 H new ATOM 0 HB THR A 29 -11.958 -2.503 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.879 -3.459 5.600 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.825 -4.525 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.899 -4.717 2.987 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.613 -5.523 3.916 1.00 0.00 H new ATOM 403 N VAL A 30 -9.667 -1.210 2.595 1.00 0.00 N ATOM 404 CA VAL A 30 -8.671 -0.153 2.616 1.00 0.00 C ATOM 405 C VAL A 30 -7.634 -0.456 3.699 1.00 0.00 C ATOM 406 O VAL A 30 -6.436 -0.272 3.487 1.00 0.00 O ATOM 407 CB VAL A 30 -9.352 1.205 2.804 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.329 2.342 2.760 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.452 1.415 1.762 1.00 0.00 C ATOM 0 H VAL A 30 -10.627 -0.894 2.731 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.143 -0.108 1.664 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.818 1.213 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.839 3.296 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.598 2.205 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.820 2.337 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.920 2.387 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.019 1.377 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.203 0.631 1.862 1.00 0.00 H new ATOM 419 N LEU A 31 -8.132 -0.917 4.837 1.00 0.00 N ATOM 420 CA LEU A 31 -7.263 -1.248 5.954 1.00 0.00 C ATOM 421 C LEU A 31 -6.194 -2.238 5.487 1.00 0.00 C ATOM 422 O LEU A 31 -5.014 -1.896 5.420 1.00 0.00 O ATOM 423 CB LEU A 31 -8.087 -1.748 7.143 1.00 0.00 C ATOM 424 CG LEU A 31 -7.374 -1.754 8.497 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.442 -0.548 8.632 1.00 0.00 C ATOM 426 CD2 LEU A 31 -8.381 -1.832 9.646 1.00 0.00 C ATOM 0 H LEU A 31 -9.126 -1.069 5.010 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.741 -0.359 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.980 -1.128 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.422 -2.762 6.927 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.753 -2.648 8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.948 -0.577 9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.691 -0.578 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.022 0.371 8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.848 -1.835 10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.047 -0.970 9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.966 -2.747 9.555 1.00 0.00 H new ATOM 438 N ASP A 32 -6.645 -3.445 5.177 1.00 0.00 N ATOM 439 CA ASP A 32 -5.742 -4.486 4.719 1.00 0.00 C ATOM 440 C ASP A 32 -4.749 -3.890 3.719 1.00 0.00 C ATOM 441 O ASP A 32 -3.545 -4.117 3.824 1.00 0.00 O ATOM 442 CB ASP A 32 -6.507 -5.608 4.014 1.00 0.00 C ATOM 443 CG ASP A 32 -6.537 -6.941 4.765 1.00 0.00 C ATOM 444 OD1 ASP A 32 -5.540 -7.220 5.466 1.00 0.00 O ATOM 445 OD2 ASP A 32 -7.555 -7.651 4.621 1.00 0.00 O ATOM 0 H ASP A 32 -7.624 -3.725 5.234 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.227 -4.892 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.533 -5.279 3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.061 -5.771 3.033 1.00 0.00 H new ATOM 450 N LEU A 33 -5.292 -3.140 2.771 1.00 0.00 N ATOM 451 CA LEU A 33 -4.469 -2.510 1.752 1.00 0.00 C ATOM 452 C LEU A 33 -3.170 -2.011 2.389 1.00 0.00 C ATOM 453 O LEU A 33 -2.100 -2.566 2.143 1.00 0.00 O ATOM 454 CB LEU A 33 -5.257 -1.418 1.027 1.00 0.00 C ATOM 455 CG LEU A 33 -4.817 -1.114 -0.407 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.401 -0.538 -0.436 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.951 -2.352 -1.296 1.00 0.00 C ATOM 0 H LEU A 33 -6.291 -2.954 2.687 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.192 -3.233 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.308 -1.706 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.188 -0.500 1.610 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.482 -0.352 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.113 -0.331 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.372 0.386 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.706 -1.258 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.632 -2.108 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.326 -3.153 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.991 -2.678 -1.312 1.00 0.00 H new ATOM 469 N LYS A 34 -3.306 -0.968 3.196 1.00 0.00 N ATOM 470 CA LYS A 34 -2.157 -0.388 3.869 1.00 0.00 C ATOM 471 C LYS A 34 -1.354 -1.500 4.547 1.00 0.00 C ATOM 472 O LYS A 34 -0.162 -1.657 4.287 1.00 0.00 O ATOM 473 CB LYS A 34 -2.600 0.720 4.826 1.00 0.00 C ATOM 474 CG LYS A 34 -3.239 1.881 4.061 1.00 0.00 C ATOM 475 CD LYS A 34 -4.632 2.198 4.610 1.00 0.00 C ATOM 476 CE LYS A 34 -4.740 3.670 5.013 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.167 4.494 3.859 1.00 0.00 N ATOM 0 H LYS A 34 -4.195 -0.510 3.398 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.495 0.091 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.312 0.319 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.742 1.081 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.605 2.764 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.310 1.629 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.385 1.967 3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.840 1.565 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.455 3.778 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.778 4.023 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.235 5.490 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.471 4.404 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.096 4.167 3.524 1.00 0.00 H new ATOM 491 N LYS A 35 -2.039 -2.244 5.403 1.00 0.00 N ATOM 492 CA LYS A 35 -1.404 -3.337 6.120 1.00 0.00 C ATOM 493 C LYS A 35 -0.493 -4.108 5.162 1.00 0.00 C ATOM 494 O LYS A 35 0.626 -4.472 5.521 1.00 0.00 O ATOM 495 CB LYS A 35 -2.456 -4.210 6.806 1.00 0.00 C ATOM 496 CG LYS A 35 -2.927 -3.574 8.115 1.00 0.00 C ATOM 497 CD LYS A 35 -4.454 -3.489 8.165 1.00 0.00 C ATOM 498 CE LYS A 35 -5.037 -4.600 9.040 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.036 -5.888 8.311 1.00 0.00 N ATOM 0 H LYS A 35 -3.028 -2.111 5.616 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.772 -2.952 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.307 -4.352 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.040 -5.197 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.564 -4.160 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.500 -2.576 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.755 -2.517 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.859 -3.566 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.454 -4.693 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.054 -4.343 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.355 -6.647 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.679 -5.826 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.073 -6.098 7.978 1.00 0.00 H new ATOM 513 N ALA A 36 -1.007 -4.336 3.962 1.00 0.00 N ATOM 514 CA ALA A 36 -0.254 -5.057 2.950 1.00 0.00 C ATOM 515 C ALA A 36 0.945 -4.213 2.514 1.00 0.00 C ATOM 516 O ALA A 36 2.091 -4.572 2.781 1.00 0.00 O ATOM 517 CB ALA A 36 -1.177 -5.408 1.781 1.00 0.00 C ATOM 0 H ALA A 36 -1.936 -4.034 3.668 1.00 0.00 H new ATOM 0 HA ALA A 36 0.132 -5.993 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.613 -5.949 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.995 -6.033 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.581 -4.493 1.349 1.00 0.00 H new ATOM 523 N ILE A 37 0.640 -3.107 1.852 1.00 0.00 N ATOM 524 CA ILE A 37 1.679 -2.209 1.376 1.00 0.00 C ATOM 525 C ILE A 37 2.776 -2.099 2.436 1.00 0.00 C ATOM 526 O ILE A 37 3.945 -1.901 2.107 1.00 0.00 O ATOM 527 CB ILE A 37 1.078 -0.862 0.971 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.134 -1.020 -0.223 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.176 0.169 0.701 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.653 0.269 -0.473 1.00 0.00 C ATOM 0 H ILE A 37 -0.312 -2.812 1.634 1.00 0.00 H new ATOM 0 HA ILE A 37 2.145 -2.608 0.475 1.00 0.00 H new ATOM 0 HB ILE A 37 0.483 -0.488 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.708 -1.279 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.557 -1.843 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.722 1.118 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.773 0.309 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.817 -0.185 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.316 0.130 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.244 0.512 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.040 1.084 -0.681 1.00 0.00 H new ATOM 542 N GLN A 38 2.362 -2.233 3.688 1.00 0.00 N ATOM 543 CA GLN A 38 3.295 -2.151 4.798 1.00 0.00 C ATOM 544 C GLN A 38 4.107 -3.443 4.905 1.00 0.00 C ATOM 545 O GLN A 38 5.333 -3.404 4.997 1.00 0.00 O ATOM 546 CB GLN A 38 2.563 -1.853 6.108 1.00 0.00 C ATOM 547 CG GLN A 38 2.619 -0.360 6.440 1.00 0.00 C ATOM 548 CD GLN A 38 1.739 -0.034 7.649 1.00 0.00 C ATOM 549 OE1 GLN A 38 2.194 0.040 8.778 1.00 0.00 O ATOM 550 NE2 GLN A 38 0.457 0.155 7.349 1.00 0.00 N ATOM 0 H GLN A 38 1.392 -2.398 3.958 1.00 0.00 H new ATOM 0 HA GLN A 38 3.983 -1.327 4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.524 -2.173 6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.012 -2.427 6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.649 -0.068 6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.289 0.220 5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.143 0.078 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.212 0.377 8.086 1.00 0.00 H new ATOM 559 N ARG A 39 3.391 -4.558 4.890 1.00 0.00 N ATOM 560 CA ARG A 39 4.030 -5.859 4.984 1.00 0.00 C ATOM 561 C ARG A 39 4.852 -6.140 3.724 1.00 0.00 C ATOM 562 O ARG A 39 5.590 -7.122 3.666 1.00 0.00 O ATOM 563 CB ARG A 39 2.994 -6.970 5.166 1.00 0.00 C ATOM 564 CG ARG A 39 3.330 -7.841 6.378 1.00 0.00 C ATOM 565 CD ARG A 39 2.661 -7.302 7.644 1.00 0.00 C ATOM 566 NE ARG A 39 3.199 -7.994 8.835 1.00 0.00 N ATOM 567 CZ ARG A 39 2.878 -9.247 9.186 1.00 0.00 C ATOM 568 NH1 ARG A 39 2.018 -9.952 8.438 1.00 0.00 N ATOM 569 NH2 ARG A 39 3.415 -9.795 10.284 1.00 0.00 N ATOM 0 H ARG A 39 2.374 -4.587 4.814 1.00 0.00 H new ATOM 0 HA ARG A 39 4.686 -5.843 5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.004 -6.532 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.957 -7.588 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.002 -8.864 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.410 -7.873 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.834 -6.229 7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.582 -7.447 7.585 1.00 0.00 H new ATOM 0 HE ARG A 39 3.856 -7.486 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.608 -9.535 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.773 -10.906 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.069 -9.259 10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.170 -10.749 10.550 1.00 0.00 H new ATOM 583 N TYR A 40 4.696 -5.259 2.746 1.00 0.00 N ATOM 584 CA TYR A 40 5.414 -5.400 1.491 1.00 0.00 C ATOM 585 C TYR A 40 6.810 -4.779 1.585 1.00 0.00 C ATOM 586 O TYR A 40 7.773 -5.326 1.052 1.00 0.00 O ATOM 587 CB TYR A 40 4.597 -4.632 0.449 1.00 0.00 C ATOM 588 CG TYR A 40 5.293 -4.490 -0.905 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.405 -3.681 -1.028 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.810 -5.170 -2.005 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.060 -3.546 -2.304 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.465 -5.036 -3.280 1.00 0.00 C ATOM 593 CZ TYR A 40 6.558 -4.230 -3.367 1.00 0.00 C ATOM 594 OH TYR A 40 7.176 -4.103 -4.571 1.00 0.00 O ATOM 0 H TYR A 40 4.083 -4.445 2.798 1.00 0.00 H new ATOM 0 HA TYR A 40 5.536 -6.452 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.643 -5.139 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.374 -3.638 0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.784 -3.149 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.940 -5.803 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.930 -2.916 -2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.097 -5.563 -4.148 1.00 0.00 H new ATOM 0 HH TYR A 40 7.490 -4.981 -4.872 1.00 0.00 H new ATOM 604 N VAL A 41 6.873 -3.645 2.268 1.00 0.00 N ATOM 605 CA VAL A 41 8.134 -2.945 2.439 1.00 0.00 C ATOM 606 C VAL A 41 8.781 -3.381 3.755 1.00 0.00 C ATOM 607 O VAL A 41 9.991 -3.596 3.815 1.00 0.00 O ATOM 608 CB VAL A 41 7.909 -1.434 2.356 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.233 -0.675 2.470 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.172 -1.059 1.069 1.00 0.00 C ATOM 0 H VAL A 41 6.071 -3.194 2.709 1.00 0.00 H new ATOM 0 HA VAL A 41 8.825 -3.202 1.636 1.00 0.00 H new ATOM 0 HB VAL A 41 7.282 -1.143 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.044 0.397 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.704 -0.906 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.895 -0.975 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.025 0.021 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.762 -1.372 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.203 -1.558 1.046 1.00 0.00 H new ATOM 620 N GLN A 42 7.946 -3.500 4.777 1.00 0.00 N ATOM 621 CA GLN A 42 8.421 -3.907 6.088 1.00 0.00 C ATOM 622 C GLN A 42 9.125 -5.263 6.000 1.00 0.00 C ATOM 623 O GLN A 42 10.340 -5.348 6.171 1.00 0.00 O ATOM 624 CB GLN A 42 7.273 -3.950 7.098 1.00 0.00 C ATOM 625 CG GLN A 42 7.780 -3.680 8.516 1.00 0.00 C ATOM 626 CD GLN A 42 7.971 -4.987 9.289 1.00 0.00 C ATOM 627 OE1 GLN A 42 8.744 -5.853 8.912 1.00 0.00 O ATOM 628 NE2 GLN A 42 7.227 -5.081 10.386 1.00 0.00 N ATOM 0 H GLN A 42 6.943 -3.322 4.723 1.00 0.00 H new ATOM 0 HA GLN A 42 9.141 -3.167 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.520 -3.209 6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.788 -4.925 7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.725 -3.139 8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.072 -3.041 9.044 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.600 -4.319 10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.283 -5.915 10.970 1.00 0.00 H new ATOM 637 N LEU A 43 8.331 -6.290 5.734 1.00 0.00 N ATOM 638 CA LEU A 43 8.863 -7.637 5.622 1.00 0.00 C ATOM 639 C LEU A 43 10.158 -7.604 4.807 1.00 0.00 C ATOM 640 O LEU A 43 11.125 -8.284 5.145 1.00 0.00 O ATOM 641 CB LEU A 43 7.804 -8.585 5.055 1.00 0.00 C ATOM 642 CG LEU A 43 7.832 -8.792 3.539 1.00 0.00 C ATOM 643 CD1 LEU A 43 9.079 -9.570 3.114 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.545 -9.463 3.054 1.00 0.00 C ATOM 0 H LEU A 43 7.324 -6.216 5.593 1.00 0.00 H new ATOM 0 HA LEU A 43 9.116 -8.030 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.919 -9.556 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.820 -8.206 5.332 1.00 0.00 H new ATOM 0 HG LEU A 43 7.885 -7.814 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.074 -9.703 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.971 -9.016 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.082 -10.546 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.590 -9.599 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.436 -10.434 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.690 -8.835 3.305 1.00 0.00 H new ATOM 656 N LYS A 44 10.134 -6.805 3.751 1.00 0.00 N ATOM 657 CA LYS A 44 11.294 -6.674 2.885 1.00 0.00 C ATOM 658 C LYS A 44 12.472 -6.132 3.698 1.00 0.00 C ATOM 659 O LYS A 44 13.428 -6.857 3.970 1.00 0.00 O ATOM 660 CB LYS A 44 10.953 -5.827 1.657 1.00 0.00 C ATOM 661 CG LYS A 44 11.347 -6.549 0.367 1.00 0.00 C ATOM 662 CD LYS A 44 10.902 -5.755 -0.863 1.00 0.00 C ATOM 663 CE LYS A 44 11.836 -4.570 -1.118 1.00 0.00 C ATOM 664 NZ LYS A 44 11.393 -3.809 -2.307 1.00 0.00 N ATOM 0 H LYS A 44 9.330 -6.242 3.475 1.00 0.00 H new ATOM 0 HA LYS A 44 11.593 -7.648 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.885 -5.611 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.471 -4.870 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.427 -6.691 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.894 -7.540 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.889 -6.407 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.883 -5.395 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.851 -3.917 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.855 -4.928 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.037 -3.008 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.401 -4.431 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.429 -3.452 -2.151 1.00 0.00 H new ATOM 678 N GLN A 45 12.365 -4.863 4.063 1.00 0.00 N ATOM 679 CA GLN A 45 13.409 -4.217 4.839 1.00 0.00 C ATOM 680 C GLN A 45 13.874 -5.134 5.972 1.00 0.00 C ATOM 681 O GLN A 45 15.068 -5.391 6.117 1.00 0.00 O ATOM 682 CB GLN A 45 12.933 -2.869 5.385 1.00 0.00 C ATOM 683 CG GLN A 45 12.676 -1.877 4.249 1.00 0.00 C ATOM 684 CD GLN A 45 12.502 -0.457 4.790 1.00 0.00 C ATOM 685 OE1 GLN A 45 12.178 -0.241 5.947 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.734 0.497 3.893 1.00 0.00 N ATOM 0 H GLN A 45 11.571 -4.265 3.835 1.00 0.00 H new ATOM 0 HA GLN A 45 14.257 -4.026 4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.020 -3.009 5.964 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.682 -2.463 6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.507 -1.902 3.544 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.783 -2.172 3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.002 0.248 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.644 1.478 4.157 1.00 0.00 H new ATOM 695 N GLU A 46 12.906 -5.602 6.746 1.00 0.00 N ATOM 696 CA GLU A 46 13.201 -6.486 7.861 1.00 0.00 C ATOM 697 C GLU A 46 14.180 -7.579 7.428 1.00 0.00 C ATOM 698 O GLU A 46 15.235 -7.748 8.037 1.00 0.00 O ATOM 699 CB GLU A 46 11.918 -7.093 8.433 1.00 0.00 C ATOM 700 CG GLU A 46 11.800 -6.814 9.933 1.00 0.00 C ATOM 701 CD GLU A 46 11.412 -8.080 10.698 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.259 -8.526 10.510 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.276 -8.575 11.453 1.00 0.00 O ATOM 0 H GLU A 46 11.917 -5.386 6.623 1.00 0.00 H new ATOM 0 HA GLU A 46 13.670 -5.899 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.053 -6.680 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.911 -8.169 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.749 -6.433 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.054 -6.038 10.104 1.00 0.00 H new ATOM 832 N SER A 55 7.868 6.721 8.943 1.00 0.00 N ATOM 833 CA SER A 55 6.740 7.440 9.510 1.00 0.00 C ATOM 834 C SER A 55 5.465 7.112 8.731 1.00 0.00 C ATOM 835 O SER A 55 4.846 7.998 8.144 1.00 0.00 O ATOM 836 CB SER A 55 6.991 8.950 9.505 1.00 0.00 C ATOM 837 OG SER A 55 7.454 9.418 10.769 1.00 0.00 O ATOM 0 HA SER A 55 6.617 7.122 10.545 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.725 9.193 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.070 9.470 9.241 1.00 0.00 H new ATOM 0 HG SER A 55 7.604 10.385 10.725 1.00 0.00 H new ATOM 843 N TRP A 56 5.110 5.836 8.751 1.00 0.00 N ATOM 844 CA TRP A 56 3.919 5.379 8.054 1.00 0.00 C ATOM 845 C TRP A 56 2.743 6.246 8.509 1.00 0.00 C ATOM 846 O TRP A 56 1.965 6.724 7.686 1.00 0.00 O ATOM 847 CB TRP A 56 3.686 3.885 8.287 1.00 0.00 C ATOM 848 CG TRP A 56 4.546 2.976 7.407 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.394 2.014 7.795 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.608 2.984 5.965 1.00 0.00 C ATOM 851 NE1 TRP A 56 5.996 1.403 6.714 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.502 2.012 5.566 1.00 0.00 C ATOM 853 CE3 TRP A 56 3.931 3.786 5.030 1.00 0.00 C ATOM 854 CZ2 TRP A 56 5.802 1.751 4.223 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.241 3.512 3.692 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.139 2.537 3.273 1.00 0.00 C ATOM 0 H TRP A 56 5.626 5.104 9.239 1.00 0.00 H new ATOM 0 HA TRP A 56 4.037 5.490 6.976 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.886 3.655 9.334 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.635 3.659 8.107 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.583 1.750 8.825 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.677 0.645 6.750 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.228 4.553 5.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.507 0.985 3.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.748 4.100 2.932 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.324 2.387 2.220 1.00 0.00 H new ATOM 867 N SER A 57 2.652 6.423 9.819 1.00 0.00 N ATOM 868 CA SER A 57 1.584 7.223 10.394 1.00 0.00 C ATOM 869 C SER A 57 1.333 8.459 9.527 1.00 0.00 C ATOM 870 O SER A 57 0.232 8.646 9.011 1.00 0.00 O ATOM 871 CB SER A 57 1.918 7.639 11.828 1.00 0.00 C ATOM 872 OG SER A 57 1.277 6.805 12.789 1.00 0.00 O ATOM 0 H SER A 57 3.301 6.026 10.499 1.00 0.00 H new ATOM 0 HA SER A 57 0.679 6.616 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.997 7.598 11.975 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.614 8.674 11.986 1.00 0.00 H new ATOM 0 HG SER A 57 1.517 7.102 13.692 1.00 0.00 H new ATOM 878 N TYR A 58 2.372 9.271 9.394 1.00 0.00 N ATOM 879 CA TYR A 58 2.277 10.483 8.599 1.00 0.00 C ATOM 880 C TYR A 58 1.983 10.156 7.134 1.00 0.00 C ATOM 881 O TYR A 58 1.042 10.694 6.551 1.00 0.00 O ATOM 882 CB TYR A 58 3.647 11.157 8.694 1.00 0.00 C ATOM 883 CG TYR A 58 3.717 12.523 8.009 1.00 0.00 C ATOM 884 CD1 TYR A 58 3.869 12.601 6.639 1.00 0.00 C ATOM 885 CD2 TYR A 58 3.629 13.678 8.760 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.935 13.887 5.994 1.00 0.00 C ATOM 887 CE2 TYR A 58 3.695 14.964 8.115 1.00 0.00 C ATOM 888 CZ TYR A 58 3.845 15.005 6.764 1.00 0.00 C ATOM 889 OH TYR A 58 3.907 16.219 6.155 1.00 0.00 O ATOM 0 H TYR A 58 3.284 9.113 9.824 1.00 0.00 H new ATOM 0 HA TYR A 58 1.471 11.120 8.964 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.910 11.275 9.745 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.395 10.500 8.250 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.938 11.698 6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.511 13.617 9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.053 13.962 4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.627 15.875 8.691 1.00 0.00 H new ATOM 0 HH TYR A 58 3.828 16.927 6.828 1.00 0.00 H new ATOM 899 N VAL A 59 2.805 9.277 6.580 1.00 0.00 N ATOM 900 CA VAL A 59 2.644 8.872 5.194 1.00 0.00 C ATOM 901 C VAL A 59 1.177 8.527 4.935 1.00 0.00 C ATOM 902 O VAL A 59 0.587 8.998 3.964 1.00 0.00 O ATOM 903 CB VAL A 59 3.596 7.718 4.872 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.251 7.083 3.524 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.053 8.185 4.902 1.00 0.00 C ATOM 0 H VAL A 59 3.585 8.834 7.066 1.00 0.00 H new ATOM 0 HA VAL A 59 2.908 9.690 4.524 1.00 0.00 H new ATOM 0 HB VAL A 59 3.473 6.956 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.943 6.266 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.232 6.697 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.332 7.833 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.709 7.346 4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.198 8.974 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.292 8.569 5.894 1.00 0.00 H new ATOM 915 N TRP A 60 0.630 7.706 5.820 1.00 0.00 N ATOM 916 CA TRP A 60 -0.758 7.292 5.698 1.00 0.00 C ATOM 917 C TRP A 60 -1.640 8.515 5.955 1.00 0.00 C ATOM 918 O TRP A 60 -2.723 8.634 5.385 1.00 0.00 O ATOM 919 CB TRP A 60 -1.065 6.125 6.638 1.00 0.00 C ATOM 920 CG TRP A 60 -0.320 4.834 6.293 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.481 4.107 7.085 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.338 4.144 5.026 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.978 3.003 6.423 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.465 3.026 5.132 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.009 4.453 3.831 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.670 2.127 4.078 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.794 3.546 2.787 1.00 0.00 C ATOM 928 CH2 TRP A 60 0.011 2.416 2.877 1.00 0.00 C ATOM 0 H TRP A 60 1.122 7.317 6.624 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.964 6.920 4.694 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.812 6.417 7.657 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.137 5.929 6.619 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.709 4.354 8.111 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.607 2.299 6.810 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.641 5.322 3.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.302 1.258 4.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.288 3.737 1.846 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.127 1.764 2.024 1.00 0.00 H new ATOM 939 N ARG A 61 -1.144 9.393 6.814 1.00 0.00 N ATOM 940 CA ARG A 61 -1.874 10.603 7.153 1.00 0.00 C ATOM 941 C ARG A 61 -1.504 11.734 6.192 1.00 0.00 C ATOM 942 O ARG A 61 -1.355 12.882 6.606 1.00 0.00 O ATOM 943 CB ARG A 61 -1.574 11.044 8.588 1.00 0.00 C ATOM 944 CG ARG A 61 -2.701 11.920 9.139 1.00 0.00 C ATOM 945 CD ARG A 61 -2.180 13.309 9.515 1.00 0.00 C ATOM 946 NE ARG A 61 -2.493 13.600 10.932 1.00 0.00 N ATOM 947 CZ ARG A 61 -1.970 12.931 11.969 1.00 0.00 C ATOM 948 NH1 ARG A 61 -1.107 11.929 11.754 1.00 0.00 N ATOM 949 NH2 ARG A 61 -2.311 13.264 13.221 1.00 0.00 N ATOM 0 H ARG A 61 -0.245 9.291 7.286 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.938 10.382 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.447 10.167 9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.634 11.595 8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.492 12.013 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.142 11.444 10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.103 13.358 9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.633 14.063 8.872 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.147 14.357 11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.848 11.675 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.709 11.420 12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.968 14.026 13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.913 12.755 14.010 1.00 0.00 H new ATOM 963 N THR A 62 -1.365 11.369 4.926 1.00 0.00 N ATOM 964 CA THR A 62 -1.015 12.339 3.902 1.00 0.00 C ATOM 965 C THR A 62 -1.499 11.865 2.530 1.00 0.00 C ATOM 966 O THR A 62 -2.118 12.626 1.788 1.00 0.00 O ATOM 967 CB THR A 62 0.496 12.570 3.966 1.00 0.00 C ATOM 968 OG1 THR A 62 0.708 13.118 5.265 1.00 0.00 O ATOM 969 CG2 THR A 62 0.961 13.675 3.015 1.00 0.00 C ATOM 0 H THR A 62 -1.488 10.415 4.586 1.00 0.00 H new ATOM 0 HA THR A 62 -1.512 13.293 4.075 1.00 0.00 H new ATOM 0 HB THR A 62 1.015 11.642 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.123 13.524 5.588 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.041 13.798 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.706 13.404 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.468 14.611 3.276 1.00 0.00 H new ATOM 977 N TYR A 63 -1.198 10.609 2.234 1.00 0.00 N ATOM 978 CA TYR A 63 -1.595 10.024 0.964 1.00 0.00 C ATOM 979 C TYR A 63 -2.565 8.859 1.176 1.00 0.00 C ATOM 980 O TYR A 63 -2.551 8.219 2.226 1.00 0.00 O ATOM 981 CB TYR A 63 -0.310 9.492 0.326 1.00 0.00 C ATOM 982 CG TYR A 63 0.753 10.564 0.082 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.587 11.482 -0.935 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.879 10.613 0.879 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.589 12.491 -1.164 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.881 11.622 0.649 1.00 0.00 C ATOM 987 CZ TYR A 63 2.686 12.511 -0.361 1.00 0.00 C ATOM 988 OH TYR A 63 3.632 13.464 -0.578 1.00 0.00 O ATOM 0 H TYR A 63 -0.684 9.980 2.851 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.097 10.764 0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.110 8.719 0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.557 9.017 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.294 11.444 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.009 9.895 1.675 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.472 13.216 -1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.767 11.671 1.265 1.00 0.00 H new ATOM 0 HH TYR A 63 4.358 13.358 0.071 1.00 0.00 H new ATOM 998 N HIS A 64 -3.383 8.621 0.162 1.00 0.00 N ATOM 999 CA HIS A 64 -4.358 7.545 0.224 1.00 0.00 C ATOM 1000 C HIS A 64 -4.255 6.686 -1.037 1.00 0.00 C ATOM 1001 O HIS A 64 -3.565 7.052 -1.988 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.766 8.100 0.450 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.935 8.829 1.762 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.202 8.176 2.953 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.872 10.159 2.057 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.294 9.083 3.915 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.090 10.311 3.358 1.00 0.00 N ATOM 0 H HIS A 64 -3.391 9.155 -0.707 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.142 6.903 1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.013 8.779 -0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.481 7.278 0.408 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.310 7.168 3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.678 10.954 1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.495 8.884 4.957 1.00 0.00 H new ATOM 1015 N LEU A 65 -4.951 5.559 -1.006 1.00 0.00 N ATOM 1016 CA LEU A 65 -4.947 4.645 -2.135 1.00 0.00 C ATOM 1017 C LEU A 65 -6.073 5.026 -3.099 1.00 0.00 C ATOM 1018 O LEU A 65 -7.250 4.906 -2.762 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.017 3.195 -1.651 1.00 0.00 C ATOM 1020 CG LEU A 65 -4.121 2.841 -0.462 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -2.862 3.710 -0.447 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -4.895 2.930 0.854 1.00 0.00 C ATOM 0 H LEU A 65 -5.522 5.258 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.011 4.728 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.049 2.972 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.757 2.542 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.797 1.806 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.243 3.438 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.300 3.552 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.145 4.760 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.235 2.674 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.269 3.945 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.734 2.235 0.830 1.00 0.00 H new ATOM 1034 N THR A 66 -5.671 5.477 -4.278 1.00 0.00 N ATOM 1035 CA THR A 66 -6.632 5.876 -5.293 1.00 0.00 C ATOM 1036 C THR A 66 -6.702 4.826 -6.403 1.00 0.00 C ATOM 1037 O THR A 66 -5.800 4.002 -6.541 1.00 0.00 O ATOM 1038 CB THR A 66 -6.237 7.267 -5.795 1.00 0.00 C ATOM 1039 OG1 THR A 66 -6.814 7.342 -7.096 1.00 0.00 O ATOM 1040 CG2 THR A 66 -4.734 7.394 -6.047 1.00 0.00 C ATOM 0 H THR A 66 -4.694 5.575 -4.553 1.00 0.00 H new ATOM 0 HA THR A 66 -7.640 5.936 -4.883 1.00 0.00 H new ATOM 0 HB THR A 66 -6.547 8.017 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.609 8.213 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.508 8.400 -6.402 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.192 7.206 -5.120 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.429 6.667 -6.799 1.00 0.00 H new ATOM 1048 N SER A 67 -7.783 4.890 -7.167 1.00 0.00 N ATOM 1049 CA SER A 67 -7.983 3.955 -8.261 1.00 0.00 C ATOM 1050 C SER A 67 -8.959 4.544 -9.281 1.00 0.00 C ATOM 1051 O SER A 67 -8.548 5.002 -10.346 1.00 0.00 O ATOM 1052 CB SER A 67 -8.500 2.610 -7.747 1.00 0.00 C ATOM 1053 OG SER A 67 -8.724 1.684 -8.807 1.00 0.00 O ATOM 0 H SER A 67 -8.530 5.575 -7.050 1.00 0.00 H new ATOM 0 HA SER A 67 -7.022 3.784 -8.745 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.781 2.190 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.429 2.764 -7.198 1.00 0.00 H new ATOM 0 HG SER A 67 -8.159 0.894 -8.676 1.00 0.00 H new ATOM 1059 N ALA A 68 -10.233 4.514 -8.919 1.00 0.00 N ATOM 1060 CA ALA A 68 -11.271 5.040 -9.790 1.00 0.00 C ATOM 1061 C ALA A 68 -11.536 6.504 -9.435 1.00 0.00 C ATOM 1062 O ALA A 68 -12.657 6.989 -9.579 1.00 0.00 O ATOM 1063 CB ALA A 68 -12.527 4.174 -9.667 1.00 0.00 C ATOM 0 H ALA A 68 -10.570 4.134 -8.035 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.951 5.006 -10.832 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.306 4.568 -10.320 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.293 3.150 -9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.878 4.186 -8.635 1.00 0.00 H new ATOM 1069 N GLY A 69 -10.484 7.168 -8.977 1.00 0.00 N ATOM 1070 CA GLY A 69 -10.589 8.567 -8.600 1.00 0.00 C ATOM 1071 C GLY A 69 -10.991 8.711 -7.131 1.00 0.00 C ATOM 1072 O GLY A 69 -10.658 9.705 -6.487 1.00 0.00 O ATOM 0 H GLY A 69 -9.555 6.763 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.635 9.066 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.325 9.063 -9.232 1.00 0.00 H new ATOM 1076 N GLU A 70 -11.700 7.704 -6.643 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.151 7.705 -5.262 1.00 0.00 C ATOM 1078 C GLU A 70 -11.002 7.322 -4.328 1.00 0.00 C ATOM 1079 O GLU A 70 -10.485 6.208 -4.399 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.346 6.769 -5.074 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.645 7.562 -4.919 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.728 7.030 -5.861 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.488 7.081 -7.087 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.770 6.585 -5.334 1.00 0.00 O ATOM 0 H GLU A 70 -11.973 6.881 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.479 8.713 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.425 6.098 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.189 6.146 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.992 7.500 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.460 8.615 -5.130 1.00 0.00 H new ATOM 1091 N LYS A 71 -10.635 8.266 -3.474 1.00 0.00 N ATOM 1092 CA LYS A 71 -9.556 8.040 -2.527 1.00 0.00 C ATOM 1093 C LYS A 71 -9.984 6.973 -1.518 1.00 0.00 C ATOM 1094 O LYS A 71 -10.880 7.203 -0.708 1.00 0.00 O ATOM 1095 CB LYS A 71 -9.126 9.359 -1.882 1.00 0.00 C ATOM 1096 CG LYS A 71 -8.855 10.427 -2.944 1.00 0.00 C ATOM 1097 CD LYS A 71 -8.415 11.743 -2.299 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.395 12.877 -3.326 1.00 0.00 C ATOM 1099 NZ LYS A 71 -7.297 13.824 -3.030 1.00 0.00 N ATOM 0 H LYS A 71 -11.065 9.189 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.673 7.659 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.904 9.706 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.229 9.200 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.082 10.077 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.755 10.592 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.093 11.997 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.423 11.625 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.269 12.466 -4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.350 13.403 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.297 14.588 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.434 14.229 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.387 13.322 -3.064 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.322 5.828 -1.600 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.623 4.724 -0.704 1.00 0.00 C ATOM 1115 C LEU A 72 -9.109 5.057 0.698 1.00 0.00 C ATOM 1116 O LEU A 72 -7.924 4.895 0.984 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.070 3.412 -1.266 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.315 3.165 -2.756 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.245 2.240 -3.340 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.728 2.633 -2.999 1.00 0.00 C ATOM 0 H LEU A 72 -8.579 5.641 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.701 4.581 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.995 3.387 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.507 2.586 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.237 4.119 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.442 2.080 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.263 2.697 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.267 1.283 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.875 2.466 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.860 1.693 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.457 3.360 -2.641 1.00 0.00 H new ATOM 1132 N THR A 73 -10.027 5.517 1.536 1.00 0.00 N ATOM 1133 CA THR A 73 -9.682 5.874 2.902 1.00 0.00 C ATOM 1134 C THR A 73 -10.521 5.065 3.893 1.00 0.00 C ATOM 1135 O THR A 73 -10.004 4.578 4.897 1.00 0.00 O ATOM 1136 CB THR A 73 -9.854 7.387 3.053 1.00 0.00 C ATOM 1137 OG1 THR A 73 -11.190 7.629 2.620 1.00 0.00 O ATOM 1138 CG2 THR A 73 -8.993 8.175 2.064 1.00 0.00 C ATOM 0 H THR A 73 -11.009 5.651 1.295 1.00 0.00 H new ATOM 0 HA THR A 73 -8.644 5.626 3.125 1.00 0.00 H new ATOM 0 HB THR A 73 -9.599 7.682 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.387 8.587 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.152 9.243 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.942 7.939 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.271 7.906 1.045 1.00 0.00 H new ATOM 1146 N GLU A 74 -11.802 4.946 3.576 1.00 0.00 N ATOM 1147 CA GLU A 74 -12.718 4.204 4.426 1.00 0.00 C ATOM 1148 C GLU A 74 -12.188 2.790 4.670 1.00 0.00 C ATOM 1149 O GLU A 74 -12.050 2.004 3.734 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.121 4.166 3.818 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.087 5.049 4.612 1.00 0.00 C ATOM 1152 CD GLU A 74 -15.048 4.701 6.101 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -15.788 3.770 6.486 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -14.280 5.375 6.822 1.00 0.00 O ATOM 0 H GLU A 74 -12.227 5.351 2.742 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.787 4.716 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.082 4.504 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.488 3.140 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.825 6.098 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.100 4.920 4.231 1.00 0.00 H new ATOM 1161 N ASP A 75 -11.905 2.508 5.933 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.393 1.202 6.313 1.00 0.00 C ATOM 1163 C ASP A 75 -12.549 0.202 6.366 1.00 0.00 C ATOM 1164 O ASP A 75 -12.341 -1.001 6.217 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.742 1.247 7.696 1.00 0.00 C ATOM 1166 CG ASP A 75 -9.786 2.419 7.924 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -10.295 3.558 8.011 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -8.568 2.151 8.007 1.00 0.00 O ATOM 0 H ASP A 75 -12.021 3.162 6.707 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.649 0.903 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.528 1.288 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.196 0.317 7.854 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.743 0.736 6.580 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.932 -0.094 6.655 1.00 0.00 C ATOM 1175 C ARG A 76 -15.402 -0.476 5.249 1.00 0.00 C ATOM 1176 O ARG A 76 -16.011 -1.528 5.059 1.00 0.00 O ATOM 1177 CB ARG A 76 -16.065 0.630 7.385 1.00 0.00 C ATOM 1178 CG ARG A 76 -16.013 0.354 8.888 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.428 -1.086 9.196 1.00 0.00 C ATOM 1180 NE ARG A 76 -16.567 -1.271 10.658 1.00 0.00 N ATOM 1181 CZ ARG A 76 -17.638 -0.887 11.366 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -18.670 -0.294 10.750 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -17.677 -1.096 12.689 1.00 0.00 N ATOM 0 H ARG A 76 -13.912 1.734 6.704 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.673 -0.994 7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.991 1.703 7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.026 0.306 6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.004 0.533 9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.673 1.046 9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.372 -1.315 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.685 -1.779 8.802 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.799 -1.719 11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.640 -0.135 9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.486 -0.001 11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.891 -1.547 13.157 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.492 -0.804 13.228 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.102 0.399 4.301 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.486 0.166 2.919 1.00 0.00 C ATOM 1199 C LYS A 77 -14.469 -0.768 2.262 1.00 0.00 C ATOM 1200 O LYS A 77 -13.281 -0.455 2.201 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.666 1.495 2.183 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.153 1.266 0.750 1.00 0.00 C ATOM 1203 CD LYS A 77 -16.924 2.483 0.232 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.020 2.061 -0.748 1.00 0.00 C ATOM 1205 NZ LYS A 77 -18.958 3.179 -0.989 1.00 0.00 N ATOM 0 H LYS A 77 -14.597 1.271 4.462 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.454 -0.333 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.382 2.118 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.721 2.037 2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.301 1.067 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.793 0.384 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.368 3.021 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.237 3.171 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.572 1.745 -1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.562 1.203 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.696 2.876 -1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.399 3.462 -0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.440 3.987 -1.390 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.972 -1.898 1.787 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.122 -2.881 1.137 1.00 0.00 C ATOM 1221 C LYS A 78 -13.640 -2.324 -0.205 1.00 0.00 C ATOM 1222 O LYS A 78 -14.282 -1.450 -0.785 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.847 -4.223 1.020 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.368 -4.685 2.383 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.860 -5.016 2.315 1.00 0.00 C ATOM 1226 CE LYS A 78 -17.223 -6.117 3.314 1.00 0.00 C ATOM 1227 NZ LYS A 78 -18.630 -6.537 3.133 1.00 0.00 N ATOM 0 H LYS A 78 -15.958 -2.155 1.839 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.235 -3.075 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.678 -4.132 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.169 -4.973 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.811 -5.563 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.198 -3.905 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.445 -4.121 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.120 -5.336 1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.561 -6.973 3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.073 -5.757 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.860 -7.284 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -19.258 -5.722 3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.762 -6.900 2.167 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.513 -2.853 -0.658 1.00 0.00 N ATOM 1242 CA LEU A 79 -11.938 -2.420 -1.920 1.00 0.00 C ATOM 1243 C LEU A 79 -12.905 -2.752 -3.057 1.00 0.00 C ATOM 1244 O LEU A 79 -12.984 -2.021 -4.044 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.542 -3.018 -2.106 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.522 -2.693 -1.012 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.200 -3.422 -1.261 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.325 -1.181 -0.877 1.00 0.00 C ATOM 0 H LEU A 79 -11.983 -3.577 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.800 -1.339 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.639 -4.102 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.144 -2.672 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.915 -3.053 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.493 -3.174 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.374 -4.498 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.790 -3.114 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.596 -0.978 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.964 -0.775 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.275 -0.712 -0.619 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.617 -3.855 -2.883 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.577 -4.293 -3.882 1.00 0.00 C ATOM 1262 C ARG A 80 -15.748 -3.312 -3.959 1.00 0.00 C ATOM 1263 O ARG A 80 -16.322 -3.108 -5.028 1.00 0.00 O ATOM 1264 CB ARG A 80 -15.110 -5.690 -3.559 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.447 -5.818 -2.072 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.615 -6.782 -1.855 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.797 -6.041 -1.361 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.888 -6.624 -0.846 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.953 -7.960 -0.752 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.914 -5.873 -0.423 1.00 0.00 N ATOM 0 H ARG A 80 -13.548 -4.459 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.063 -4.326 -4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.000 -5.891 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.367 -6.439 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.572 -6.172 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.700 -4.838 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.857 -7.289 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.333 -7.553 -1.138 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.780 -5.023 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.172 -8.532 -1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.783 -8.404 -0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -19.865 -4.857 -0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.744 -6.318 -0.031 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.068 -2.731 -2.812 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.161 -1.777 -2.736 1.00 0.00 C ATOM 1286 C ASP A 81 -16.802 -0.531 -3.549 1.00 0.00 C ATOM 1287 O ASP A 81 -17.685 0.195 -4.003 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.414 -1.342 -1.291 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.885 -1.140 -0.925 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.707 -1.119 -1.866 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.155 -1.012 0.289 1.00 0.00 O ATOM 0 H ASP A 81 -15.589 -2.903 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.056 -2.258 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.988 -2.090 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.879 -0.410 -1.109 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.503 -0.321 -3.707 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.016 0.825 -4.456 1.00 0.00 C ATOM 1298 C TYR A 82 -14.884 0.491 -5.944 1.00 0.00 C ATOM 1299 O TYR A 82 -14.609 1.370 -6.759 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.630 1.140 -3.891 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.642 2.144 -2.737 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.823 3.488 -2.993 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.470 1.705 -1.439 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.835 4.432 -1.906 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.482 2.650 -0.353 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.663 3.967 -0.640 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.674 4.860 0.386 1.00 0.00 O ATOM 0 H TYR A 82 -14.773 -0.925 -3.329 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.705 1.665 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.170 0.213 -3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.002 1.530 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.956 3.831 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.327 0.653 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.977 5.486 -2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.350 2.320 0.667 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.251 5.617 0.154 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.086 -0.782 -6.252 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.992 -1.243 -7.627 1.00 0.00 C ATOM 1319 C GLY A 83 -13.592 -1.779 -7.931 1.00 0.00 C ATOM 1320 O GLY A 83 -13.172 -1.807 -9.087 1.00 0.00 O ATOM 0 H GLY A 83 -15.314 -1.508 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.731 -2.025 -7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.227 -0.423 -8.306 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.908 -2.191 -6.874 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.564 -2.724 -7.014 1.00 0.00 C ATOM 1326 C ILE A 84 -11.618 -4.253 -6.965 1.00 0.00 C ATOM 1327 O ILE A 84 -12.008 -4.831 -5.952 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.631 -2.108 -5.969 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.861 -0.600 -5.850 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.169 -2.443 -6.274 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.174 -0.038 -4.604 1.00 0.00 C ATOM 0 H ILE A 84 -13.260 -2.166 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.145 -2.450 -7.982 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.866 -2.547 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.477 -0.099 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.930 -0.394 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.527 -1.993 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.035 -3.525 -6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.903 -2.050 -7.255 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.353 1.035 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.577 -0.524 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.102 -0.224 -4.664 1.00 0.00 H new ATOM 1343 N ARG A 85 -11.221 -4.863 -8.072 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.220 -6.313 -8.168 1.00 0.00 C ATOM 1345 C ARG A 85 -9.787 -6.836 -8.288 1.00 0.00 C ATOM 1346 O ARG A 85 -8.833 -6.065 -8.208 1.00 0.00 O ATOM 1347 CB ARG A 85 -12.032 -6.786 -9.375 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.510 -6.422 -9.220 1.00 0.00 C ATOM 1349 CD ARG A 85 -14.213 -7.384 -8.260 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.669 -7.393 -8.530 1.00 0.00 N ATOM 1351 CZ ARG A 85 -16.505 -6.409 -8.171 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -16.036 -5.332 -7.527 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -17.811 -6.503 -8.457 1.00 0.00 N ATOM 0 H ARG A 85 -10.898 -4.380 -8.910 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.679 -6.706 -7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.636 -6.333 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.930 -7.865 -9.486 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.600 -5.401 -8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.000 -6.451 -10.193 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.807 -8.389 -8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.028 -7.083 -7.229 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.060 -8.198 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.042 -5.260 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.673 -4.583 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.168 -7.323 -8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.448 -5.755 -8.184 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.683 -8.143 -8.478 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.382 -8.778 -8.611 1.00 0.00 C ATOM 1369 C ASN A 86 -7.653 -8.189 -9.820 1.00 0.00 C ATOM 1370 O ASN A 86 -8.258 -7.970 -10.868 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.525 -10.285 -8.833 1.00 0.00 C ATOM 1372 CG ASN A 86 -7.198 -10.902 -9.278 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -6.609 -10.518 -10.276 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.762 -11.877 -8.486 1.00 0.00 N ATOM 0 H ASN A 86 -10.477 -8.780 -8.543 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.824 -8.600 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.861 -10.762 -7.912 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.289 -10.474 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.885 -12.353 -8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.304 -12.149 -7.666 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.363 -7.949 -9.633 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.545 -7.390 -10.696 1.00 0.00 C ATOM 1383 C ARG A 87 -6.029 -5.984 -11.055 1.00 0.00 C ATOM 1384 O ARG A 87 -6.451 -5.738 -12.184 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.587 -8.271 -11.945 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.386 -9.218 -11.989 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.964 -9.502 -13.433 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.592 -10.057 -13.459 1.00 0.00 N ATOM 1389 CZ ARG A 87 -2.303 -11.353 -13.281 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -3.287 -12.235 -13.062 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -1.029 -11.767 -13.321 1.00 0.00 N ATOM 0 H ARG A 87 -5.865 -8.131 -8.762 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.518 -7.343 -10.334 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.511 -8.849 -11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.593 -7.644 -12.837 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.552 -8.779 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.637 -10.153 -11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.659 -10.206 -13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.005 -8.584 -14.020 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.818 -9.413 -13.623 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.257 -11.920 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.067 -13.222 -12.927 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.279 -11.095 -13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.809 -12.754 -13.185 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.952 -5.097 -10.073 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.378 -3.722 -10.271 1.00 0.00 C ATOM 1407 C ASP A 88 -5.153 -2.806 -10.251 1.00 0.00 C ATOM 1408 O ASP A 88 -4.039 -3.259 -9.992 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.324 -3.272 -9.156 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.181 -2.049 -9.489 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -7.625 -0.931 -9.420 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -9.372 -2.260 -9.806 1.00 0.00 O ATOM 0 H ASP A 88 -5.601 -5.304 -9.138 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.896 -3.664 -11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.984 -4.102 -8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.734 -3.052 -8.266 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.401 -1.534 -10.528 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.332 -0.550 -10.544 1.00 0.00 C ATOM 1419 C GLU A 89 -4.641 0.586 -9.567 1.00 0.00 C ATOM 1420 O GLU A 89 -5.533 1.396 -9.814 1.00 0.00 O ATOM 1421 CB GLU A 89 -4.105 -0.011 -11.958 1.00 0.00 C ATOM 1422 CG GLU A 89 -3.404 -1.051 -12.835 1.00 0.00 C ATOM 1423 CD GLU A 89 -3.687 -0.798 -14.317 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -3.481 0.359 -14.745 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -4.104 -1.766 -14.989 1.00 0.00 O ATOM 0 H GLU A 89 -6.326 -1.162 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.411 -1.037 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.061 0.262 -12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.503 0.897 -11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.329 -1.019 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.743 -2.050 -12.562 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.886 0.610 -8.479 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.068 1.633 -7.463 1.00 0.00 C ATOM 1434 C VAL A 90 -2.825 2.523 -7.414 1.00 0.00 C ATOM 1435 O VAL A 90 -1.746 2.112 -7.837 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.392 0.983 -6.117 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.077 1.933 -4.960 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.850 0.522 -6.067 1.00 0.00 C ATOM 0 H VAL A 90 -3.146 -0.063 -8.278 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.916 2.272 -7.712 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.759 0.102 -6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.316 1.447 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.018 2.190 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.672 2.840 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.054 0.064 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.508 1.380 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.029 -0.206 -6.858 1.00 0.00 H new ATOM 1448 N SER A 91 -3.018 3.727 -6.894 1.00 0.00 N ATOM 1449 CA SER A 91 -1.926 4.678 -6.784 1.00 0.00 C ATOM 1450 C SER A 91 -2.105 5.538 -5.531 1.00 0.00 C ATOM 1451 O SER A 91 -3.186 5.569 -4.944 1.00 0.00 O ATOM 1452 CB SER A 91 -1.840 5.564 -8.028 1.00 0.00 C ATOM 1453 OG SER A 91 -2.558 5.012 -9.128 1.00 0.00 O ATOM 0 H SER A 91 -3.915 4.065 -6.544 1.00 0.00 H new ATOM 0 HA SER A 91 -0.993 4.120 -6.703 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.236 6.553 -7.797 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.795 5.696 -8.307 1.00 0.00 H new ATOM 0 HG SER A 91 -2.480 5.608 -9.902 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.030 6.216 -5.158 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.055 7.074 -3.986 1.00 0.00 C ATOM 1461 C PHE A 92 -1.308 8.531 -4.378 1.00 0.00 C ATOM 1462 O PHE A 92 -0.531 9.120 -5.128 1.00 0.00 O ATOM 1463 CB PHE A 92 0.321 6.968 -3.324 1.00 0.00 C ATOM 1464 CG PHE A 92 0.372 5.992 -2.147 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.378 6.227 -1.037 1.00 0.00 C ATOM 1466 CD2 PHE A 92 1.167 4.891 -2.211 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.331 5.321 0.056 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.214 3.985 -1.118 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.464 4.220 -0.008 1.00 0.00 C ATOM 0 H PHE A 92 -0.135 6.189 -5.647 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.855 6.762 -3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.050 6.657 -4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.623 7.956 -2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.009 7.102 -0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.763 4.705 -3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.927 5.507 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.845 3.110 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.500 3.531 0.823 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.399 9.071 -3.854 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.764 10.447 -4.140 1.00 0.00 C ATOM 1481 C ILE A 93 -2.488 11.311 -2.908 1.00 0.00 C ATOM 1482 O ILE A 93 -2.399 10.797 -1.793 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.210 10.526 -4.635 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.522 11.914 -5.198 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.190 10.122 -3.531 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.860 11.917 -5.940 1.00 0.00 C ATOM 0 H ILE A 93 -3.042 8.580 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.152 10.842 -4.950 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.331 9.813 -5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.550 12.641 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.726 12.223 -5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.210 10.187 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.983 9.099 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.075 10.792 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.058 12.915 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.820 11.206 -6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.657 11.631 -5.254 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.361 12.607 -3.149 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.096 13.546 -2.072 1.00 0.00 C ATOM 1500 C LYS A 94 -3.395 14.261 -1.694 1.00 0.00 C ATOM 1501 O LYS A 94 -4.084 14.801 -2.558 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.961 14.497 -2.458 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.379 15.186 -1.221 1.00 0.00 C ATOM 1504 CD LYS A 94 -0.069 16.656 -1.508 1.00 0.00 C ATOM 1505 CE LYS A 94 1.158 17.121 -0.721 1.00 0.00 C ATOM 1506 NZ LYS A 94 1.745 18.330 -1.342 1.00 0.00 N ATOM 0 H LYS A 94 -2.437 13.029 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.751 13.019 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.176 13.943 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.332 15.247 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.085 15.114 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.531 14.673 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.106 16.793 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.929 17.271 -1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.876 17.335 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.901 16.324 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.577 18.632 -0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.032 18.114 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.039 19.094 -1.349 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.690 14.240 -0.403 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.894 14.880 0.100 1.00 0.00 C ATOM 1522 C LYS A 95 -4.964 16.313 -0.429 1.00 0.00 C ATOM 1523 O LYS A 95 -3.953 16.874 -0.850 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.954 14.783 1.626 1.00 0.00 C ATOM 1525 CG LYS A 95 -5.215 13.344 2.075 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.009 13.194 3.583 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.252 13.644 4.354 1.00 0.00 C ATOM 1528 NZ LYS A 95 -5.965 13.716 5.804 1.00 0.00 N ATOM 0 H LYS A 95 -3.116 13.790 0.310 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.782 14.363 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.016 15.136 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.742 15.434 2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.233 13.057 1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.546 12.667 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.786 12.154 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.148 13.785 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.578 14.620 3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.071 12.948 4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.819 14.023 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.676 12.778 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.198 14.398 5.973 1.00 0.00 H new