USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 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 68 THR OG1 : rot 180:sc= 0.751 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.864 K(o=1.6,f=-0.0074) USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= 1.3 (180deg=0.991) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 1.62 (180deg=1.45) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 179:sc= 1.23 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 24:sc= 1.18 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 66 LYS NZ :NH3+ -106:sc= 0.557 (180deg=-2.36!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -155:sc= -0.219 (180deg=-0.808) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc=-0.00845 (180deg=-0.132) USER MOD Single : A 79 SER OG : rot -40:sc= 0.0142 USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0197) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= 0.735 (180deg=-0.686!) USER MOD Single : A 97 LYS NZ :NH3+ 172:sc=-0.000553 (180deg=-0.133) USER MOD Single : A 110 ASN : amide:sc= 0.343 K(o=0.34,f=-1.4!) USER MOD Single : A 111 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.2!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 161:sc= 0.294 (180deg=-1.16) USER MOD Single : A 120 HIS : no HD1:sc= -0.498 K(o=-0.5,f=-3.7!) USER MOD Single : A 129 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.21) USER MOD Single : B 148 TYR OH : rot 180:sc= 0 USER MOD Single : B 149 ASN : amide:sc= -3.85! C(o=-3.8!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -15.024 -4.219 -1.661 1.00 0.85 N ATOM 117 CA TRP A 44 -13.611 -3.964 -1.482 1.00 0.73 C ATOM 118 C TRP A 44 -12.830 -4.924 -2.364 1.00 0.63 C ATOM 119 O TRP A 44 -12.732 -6.114 -2.063 1.00 0.64 O ATOM 120 CB TRP A 44 -13.199 -4.119 -0.009 1.00 0.78 C ATOM 121 CG TRP A 44 -11.856 -3.517 0.299 1.00 0.67 C ATOM 122 CD1 TRP A 44 -11.340 -2.366 -0.224 1.00 0.70 C ATOM 123 CD2 TRP A 44 -10.864 -4.016 1.210 1.00 0.61 C ATOM 124 NE1 TRP A 44 -10.091 -2.128 0.291 1.00 0.66 N ATOM 125 CE2 TRP A 44 -9.777 -3.120 1.174 1.00 0.60 C ATOM 126 CE3 TRP A 44 -10.785 -5.133 2.045 1.00 0.64 C ATOM 127 CZ2 TRP A 44 -8.632 -3.303 1.949 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -9.650 -5.311 2.815 1.00 0.67 C ATOM 129 CH2 TRP A 44 -8.585 -4.405 2.758 1.00 0.67 C ATOM 0 HA TRP A 44 -13.391 -2.936 -1.769 1.00 0.73 H new ATOM 0 HB2 TRP A 44 -13.953 -3.650 0.623 1.00 0.78 H new ATOM 0 HB3 TRP A 44 -13.182 -5.178 0.247 1.00 0.78 H new ATOM 0 HD1 TRP A 44 -11.843 -1.734 -0.940 1.00 0.70 H new ATOM 0 HE1 TRP A 44 -9.493 -1.337 0.052 1.00 0.66 H new ATOM 0 HE3 TRP A 44 -11.596 -5.845 2.089 1.00 0.64 H new ATOM 0 HZ2 TRP A 44 -7.813 -2.600 1.912 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -9.584 -6.165 3.473 1.00 0.67 H new ATOM 0 HH2 TRP A 44 -7.709 -4.579 3.365 1.00 0.67 H new ATOM 140 N VAL A 45 -12.303 -4.402 -3.469 1.00 0.62 N ATOM 141 CA VAL A 45 -11.600 -5.213 -4.460 1.00 0.60 C ATOM 142 C VAL A 45 -10.468 -6.008 -3.818 1.00 0.54 C ATOM 143 O VAL A 45 -10.164 -7.128 -4.227 1.00 0.62 O ATOM 144 CB VAL A 45 -11.023 -4.330 -5.590 1.00 0.73 C ATOM 145 CG1 VAL A 45 -10.432 -5.188 -6.702 1.00 1.24 C ATOM 146 CG2 VAL A 45 -12.095 -3.402 -6.141 1.00 1.09 C ATOM 0 H VAL A 45 -12.351 -3.410 -3.702 1.00 0.62 H new ATOM 0 HA VAL A 45 -12.327 -5.907 -4.882 1.00 0.60 H new ATOM 0 HB VAL A 45 -10.222 -3.721 -5.171 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -10.032 -4.544 -7.485 1.00 1.24 H new ATOM 0 HG12 VAL A 45 -9.631 -5.807 -6.297 1.00 1.24 H new ATOM 0 HG13 VAL A 45 -11.209 -5.828 -7.120 1.00 1.24 H new ATOM 0 HG21 VAL A 45 -11.671 -2.788 -6.936 1.00 1.09 H new ATOM 0 HG22 VAL A 45 -12.919 -3.994 -6.540 1.00 1.09 H new ATOM 0 HG23 VAL A 45 -12.464 -2.758 -5.343 1.00 1.09 H new ATOM 156 N VAL A 46 -9.871 -5.435 -2.792 1.00 0.52 N ATOM 157 CA VAL A 46 -8.746 -6.062 -2.124 1.00 0.53 C ATOM 158 C VAL A 46 -9.210 -7.160 -1.165 1.00 0.52 C ATOM 159 O VAL A 46 -8.426 -8.014 -0.758 1.00 0.51 O ATOM 160 CB VAL A 46 -7.912 -5.004 -1.373 1.00 0.63 C ATOM 161 CG1 VAL A 46 -6.676 -5.617 -0.738 1.00 1.25 C ATOM 162 CG2 VAL A 46 -7.514 -3.877 -2.312 1.00 1.30 C ATOM 0 H VAL A 46 -10.146 -4.534 -2.401 1.00 0.52 H new ATOM 0 HA VAL A 46 -8.120 -6.528 -2.885 1.00 0.53 H new ATOM 0 HB VAL A 46 -8.534 -4.599 -0.575 1.00 0.63 H new ATOM 0 HG11 VAL A 46 -6.112 -4.843 -0.217 1.00 1.25 H new ATOM 0 HG12 VAL A 46 -6.976 -6.387 -0.027 1.00 1.25 H new ATOM 0 HG13 VAL A 46 -6.051 -6.062 -1.513 1.00 1.25 H new ATOM 0 HG21 VAL A 46 -6.926 -3.139 -1.766 1.00 1.30 H new ATOM 0 HG22 VAL A 46 -6.920 -4.280 -3.132 1.00 1.30 H new ATOM 0 HG23 VAL A 46 -8.410 -3.403 -2.712 1.00 1.30 H new ATOM 172 N GLY A 47 -10.501 -7.167 -0.848 1.00 0.57 N ATOM 173 CA GLY A 47 -11.046 -8.189 0.028 1.00 0.58 C ATOM 174 C GLY A 47 -10.981 -9.562 -0.602 1.00 0.57 C ATOM 175 O GLY A 47 -10.959 -10.576 0.093 1.00 0.62 O ATOM 0 H GLY A 47 -11.180 -6.483 -1.182 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -10.494 -8.194 0.968 1.00 0.58 H new ATOM 0 HA3 GLY A 47 -12.082 -7.948 0.268 1.00 0.58 H new ATOM 179 N LYS A 48 -10.934 -9.582 -1.928 1.00 0.59 N ATOM 180 CA LYS A 48 -10.852 -10.823 -2.689 1.00 0.67 C ATOM 181 C LYS A 48 -9.402 -11.236 -2.847 1.00 0.65 C ATOM 182 O LYS A 48 -9.074 -12.380 -3.172 1.00 0.80 O ATOM 183 CB LYS A 48 -11.459 -10.593 -4.070 1.00 0.77 C ATOM 184 CG LYS A 48 -10.452 -10.174 -5.135 1.00 1.27 C ATOM 185 CD LYS A 48 -11.120 -9.918 -6.473 1.00 1.65 C ATOM 186 CE LYS A 48 -10.139 -9.330 -7.479 1.00 2.24 C ATOM 187 NZ LYS A 48 -8.965 -10.216 -7.708 1.00 2.99 N ATOM 0 H LYS A 48 -10.952 -8.741 -2.505 1.00 0.59 H new ATOM 0 HA LYS A 48 -11.394 -11.609 -2.164 1.00 0.67 H new ATOM 0 HB2 LYS A 48 -11.953 -11.509 -4.394 1.00 0.77 H new ATOM 0 HB3 LYS A 48 -12.229 -9.825 -3.992 1.00 0.77 H new ATOM 0 HG2 LYS A 48 -9.933 -9.272 -4.810 1.00 1.27 H new ATOM 0 HG3 LYS A 48 -9.698 -10.953 -5.248 1.00 1.27 H new ATOM 0 HD2 LYS A 48 -11.528 -10.851 -6.862 1.00 1.65 H new ATOM 0 HD3 LYS A 48 -11.959 -9.235 -6.338 1.00 1.65 H new ATOM 0 HE2 LYS A 48 -10.652 -9.158 -8.425 1.00 2.24 H new ATOM 0 HE3 LYS A 48 -9.795 -8.359 -7.122 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 -8.646 -10.122 -8.693 1.00 2.99 H new ATOM 0 HZ2 LYS A 48 -8.193 -9.942 -7.067 1.00 2.99 H new ATOM 0 HZ3 LYS A 48 -9.234 -11.204 -7.524 1.00 2.99 H new ATOM 201 N ASP A 49 -8.556 -10.274 -2.586 1.00 0.61 N ATOM 202 CA ASP A 49 -7.172 -10.315 -2.987 1.00 0.70 C ATOM 203 C ASP A 49 -6.266 -10.615 -1.791 1.00 0.53 C ATOM 204 O ASP A 49 -5.093 -10.940 -1.952 1.00 0.46 O ATOM 205 CB ASP A 49 -6.850 -8.948 -3.592 1.00 0.96 C ATOM 206 CG ASP A 49 -6.551 -8.987 -5.080 1.00 1.38 C ATOM 207 OD1 ASP A 49 -7.154 -9.829 -5.790 1.00 1.80 O ATOM 208 OD2 ASP A 49 -5.703 -8.196 -5.547 1.00 1.82 O ATOM 0 H ASP A 49 -8.812 -9.426 -2.081 1.00 0.61 H new ATOM 0 HA ASP A 49 -7.000 -11.109 -3.713 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -7.692 -8.278 -3.418 1.00 0.96 H new ATOM 0 HB3 ASP A 49 -5.992 -8.524 -3.070 1.00 0.96 H new ATOM 213 N LYS A 50 -6.846 -10.541 -0.596 1.00 0.52 N ATOM 214 CA LYS A 50 -6.098 -10.633 0.659 1.00 0.46 C ATOM 215 C LYS A 50 -5.288 -11.922 0.823 1.00 0.43 C ATOM 216 O LYS A 50 -4.083 -11.839 1.019 1.00 0.43 O ATOM 217 CB LYS A 50 -7.037 -10.454 1.857 1.00 0.51 C ATOM 218 CG LYS A 50 -7.528 -9.028 2.019 1.00 0.55 C ATOM 219 CD LYS A 50 -6.372 -8.067 2.245 1.00 0.74 C ATOM 220 CE LYS A 50 -6.098 -7.815 3.724 1.00 0.79 C ATOM 221 NZ LYS A 50 -5.603 -9.022 4.442 1.00 0.93 N ATOM 0 H LYS A 50 -7.850 -10.415 -0.468 1.00 0.52 H new ATOM 0 HA LYS A 50 -5.370 -9.822 0.620 1.00 0.46 H new ATOM 0 HB2 LYS A 50 -7.895 -11.117 1.741 1.00 0.51 H new ATOM 0 HB3 LYS A 50 -6.519 -10.759 2.766 1.00 0.51 H new ATOM 0 HG2 LYS A 50 -8.083 -8.729 1.130 1.00 0.55 H new ATOM 0 HG3 LYS A 50 -8.219 -8.973 2.860 1.00 0.55 H new ATOM 0 HD2 LYS A 50 -5.474 -8.469 1.776 1.00 0.74 H new ATOM 0 HD3 LYS A 50 -6.591 -7.119 1.753 1.00 0.74 H new ATOM 0 HE2 LYS A 50 -5.363 -7.016 3.820 1.00 0.79 H new ATOM 0 HE3 LYS A 50 -7.013 -7.465 4.202 1.00 0.79 H new ATOM 0 HZ1 LYS A 50 -5.371 -8.771 5.424 1.00 0.93 H new ATOM 0 HZ2 LYS A 50 -6.340 -9.756 4.437 1.00 0.93 H new ATOM 0 HZ3 LYS A 50 -4.751 -9.384 3.967 1.00 0.93 H new ATOM 235 N PRO A 51 -5.908 -13.123 0.729 1.00 0.46 N ATOM 236 CA PRO A 51 -5.253 -14.392 1.108 1.00 0.48 C ATOM 237 C PRO A 51 -3.861 -14.559 0.508 1.00 0.42 C ATOM 238 O PRO A 51 -2.943 -15.061 1.163 1.00 0.44 O ATOM 239 CB PRO A 51 -6.194 -15.470 0.553 1.00 0.57 C ATOM 240 CG PRO A 51 -7.110 -14.744 -0.372 1.00 0.54 C ATOM 241 CD PRO A 51 -7.261 -13.375 0.217 1.00 0.51 C ATOM 0 HA PRO A 51 -5.100 -14.442 2.186 1.00 0.48 H new ATOM 0 HB2 PRO A 51 -5.638 -16.247 0.028 1.00 0.57 H new ATOM 0 HB3 PRO A 51 -6.748 -15.960 1.353 1.00 0.57 H new ATOM 0 HG2 PRO A 51 -6.695 -14.696 -1.379 1.00 0.54 H new ATOM 0 HG3 PRO A 51 -8.073 -15.248 -0.448 1.00 0.54 H new ATOM 0 HD2 PRO A 51 -7.561 -12.639 -0.529 1.00 0.51 H new ATOM 0 HD3 PRO A 51 -8.010 -13.350 1.009 1.00 0.51 H new ATOM 249 N THR A 52 -3.704 -14.115 -0.725 1.00 0.39 N ATOM 250 CA THR A 52 -2.437 -14.257 -1.424 1.00 0.41 C ATOM 251 C THR A 52 -1.380 -13.317 -0.835 1.00 0.35 C ATOM 252 O THR A 52 -0.243 -13.725 -0.561 1.00 0.38 O ATOM 253 CB THR A 52 -2.611 -13.962 -2.925 1.00 0.51 C ATOM 254 OG1 THR A 52 -3.738 -14.688 -3.437 1.00 0.67 O ATOM 255 CG2 THR A 52 -1.367 -14.349 -3.711 1.00 0.56 C ATOM 0 H THR A 52 -4.436 -13.653 -1.264 1.00 0.39 H new ATOM 0 HA THR A 52 -2.101 -15.286 -1.299 1.00 0.41 H new ATOM 0 HB THR A 52 -2.775 -12.890 -3.039 1.00 0.51 H new ATOM 0 HG1 THR A 52 -3.845 -14.495 -4.392 1.00 0.67 H new ATOM 0 HG21 THR A 52 -1.521 -14.129 -4.767 1.00 0.56 H new ATOM 0 HG22 THR A 52 -0.513 -13.781 -3.343 1.00 0.56 H new ATOM 0 HG23 THR A 52 -1.175 -15.415 -3.587 1.00 0.56 H new ATOM 263 N TYR A 53 -1.777 -12.077 -0.585 1.00 0.33 N ATOM 264 CA TYR A 53 -0.846 -11.073 -0.089 1.00 0.37 C ATOM 265 C TYR A 53 -0.609 -11.274 1.392 1.00 0.32 C ATOM 266 O TYR A 53 0.418 -10.868 1.922 1.00 0.35 O ATOM 267 CB TYR A 53 -1.391 -9.666 -0.337 1.00 0.48 C ATOM 268 CG TYR A 53 -1.855 -9.437 -1.755 1.00 0.57 C ATOM 269 CD1 TYR A 53 -1.106 -9.890 -2.834 1.00 0.67 C ATOM 270 CD2 TYR A 53 -3.043 -8.766 -2.015 1.00 0.65 C ATOM 271 CE1 TYR A 53 -1.531 -9.680 -4.129 1.00 0.76 C ATOM 272 CE2 TYR A 53 -3.470 -8.553 -3.308 1.00 0.76 C ATOM 273 CZ TYR A 53 -2.707 -9.022 -4.364 1.00 0.81 C ATOM 274 OH TYR A 53 -3.130 -8.799 -5.654 1.00 0.92 O ATOM 0 H TYR A 53 -2.732 -11.743 -0.717 1.00 0.33 H new ATOM 0 HA TYR A 53 0.097 -11.183 -0.624 1.00 0.37 H new ATOM 0 HB2 TYR A 53 -2.224 -9.483 0.342 1.00 0.48 H new ATOM 0 HB3 TYR A 53 -0.617 -8.938 -0.095 1.00 0.48 H new ATOM 0 HD1 TYR A 53 -0.178 -10.414 -2.656 1.00 0.67 H new ATOM 0 HD2 TYR A 53 -3.641 -8.406 -1.191 1.00 0.65 H new ATOM 0 HE1 TYR A 53 -0.936 -10.035 -4.957 1.00 0.76 H new ATOM 0 HE2 TYR A 53 -4.393 -8.024 -3.496 1.00 0.76 H new ATOM 0 HH TYR A 53 -3.992 -8.334 -5.640 1.00 0.92 H new ATOM 284 N ASP A 54 -1.551 -11.936 2.042 1.00 0.32 N ATOM 285 CA ASP A 54 -1.427 -12.261 3.451 1.00 0.40 C ATOM 286 C ASP A 54 -0.388 -13.347 3.619 1.00 0.43 C ATOM 287 O ASP A 54 0.443 -13.296 4.523 1.00 0.49 O ATOM 288 CB ASP A 54 -2.766 -12.723 4.029 1.00 0.50 C ATOM 289 CG ASP A 54 -3.789 -11.599 4.119 1.00 1.22 C ATOM 290 OD1 ASP A 54 -3.386 -10.417 4.152 1.00 1.46 O ATOM 291 OD2 ASP A 54 -5.005 -11.890 4.181 1.00 1.86 O ATOM 0 H ASP A 54 -2.417 -12.261 1.611 1.00 0.32 H new ATOM 0 HA ASP A 54 -1.119 -11.366 3.993 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -3.167 -13.524 3.409 1.00 0.50 H new ATOM 0 HB3 ASP A 54 -2.603 -13.140 5.023 1.00 0.50 H new ATOM 296 N GLU A 55 -0.442 -14.321 2.722 1.00 0.43 N ATOM 297 CA GLU A 55 0.551 -15.377 2.668 1.00 0.52 C ATOM 298 C GLU A 55 1.941 -14.775 2.588 1.00 0.52 C ATOM 299 O GLU A 55 2.828 -15.095 3.384 1.00 0.70 O ATOM 300 CB GLU A 55 0.334 -16.224 1.433 1.00 0.57 C ATOM 301 CG GLU A 55 0.953 -17.609 1.516 1.00 1.01 C ATOM 302 CD GLU A 55 0.220 -18.518 2.481 1.00 1.39 C ATOM 303 OE1 GLU A 55 -0.748 -19.182 2.068 1.00 2.00 O ATOM 304 OE2 GLU A 55 0.610 -18.565 3.669 1.00 1.90 O ATOM 0 H GLU A 55 -1.173 -14.399 2.015 1.00 0.43 H new ATOM 0 HA GLU A 55 0.456 -15.987 3.566 1.00 0.52 H new ATOM 0 HB2 GLU A 55 -0.737 -16.326 1.259 1.00 0.57 H new ATOM 0 HB3 GLU A 55 0.749 -15.703 0.570 1.00 0.57 H new ATOM 0 HG2 GLU A 55 0.954 -18.063 0.525 1.00 1.01 H new ATOM 0 HG3 GLU A 55 1.994 -17.520 1.826 1.00 1.01 H new ATOM 311 N ILE A 56 2.115 -13.888 1.618 1.00 0.40 N ATOM 312 CA ILE A 56 3.402 -13.256 1.393 1.00 0.42 C ATOM 313 C ILE A 56 3.756 -12.324 2.555 1.00 0.40 C ATOM 314 O ILE A 56 4.924 -12.152 2.904 1.00 0.52 O ATOM 315 CB ILE A 56 3.406 -12.465 0.070 1.00 0.44 C ATOM 316 CG1 ILE A 56 2.761 -13.286 -1.057 1.00 0.47 C ATOM 317 CG2 ILE A 56 4.827 -12.100 -0.301 1.00 0.53 C ATOM 318 CD1 ILE A 56 2.691 -12.553 -2.381 1.00 0.52 C ATOM 0 H ILE A 56 1.380 -13.592 0.976 1.00 0.40 H new ATOM 0 HA ILE A 56 4.152 -14.044 1.329 1.00 0.42 H new ATOM 0 HB ILE A 56 2.823 -11.554 0.206 1.00 0.44 H new ATOM 0 HG12 ILE A 56 3.326 -14.208 -1.192 1.00 0.47 H new ATOM 0 HG13 ILE A 56 1.753 -13.571 -0.756 1.00 0.47 H new ATOM 0 HG21 ILE A 56 4.827 -11.541 -1.237 1.00 0.53 H new ATOM 0 HG22 ILE A 56 5.263 -11.487 0.488 1.00 0.53 H new ATOM 0 HG23 ILE A 56 5.416 -13.009 -0.422 1.00 0.53 H new ATOM 0 HD11 ILE A 56 2.224 -13.195 -3.128 1.00 0.52 H new ATOM 0 HD12 ILE A 56 2.101 -11.644 -2.263 1.00 0.52 H new ATOM 0 HD13 ILE A 56 3.698 -12.292 -2.706 1.00 0.52 H new ATOM 330 N PHE A 57 2.734 -11.746 3.159 1.00 0.31 N ATOM 331 CA PHE A 57 2.902 -10.873 4.311 1.00 0.31 C ATOM 332 C PHE A 57 3.569 -11.622 5.467 1.00 0.35 C ATOM 333 O PHE A 57 4.409 -11.064 6.176 1.00 0.40 O ATOM 334 CB PHE A 57 1.527 -10.340 4.725 1.00 0.29 C ATOM 335 CG PHE A 57 1.509 -9.493 5.965 1.00 0.31 C ATOM 336 CD1 PHE A 57 1.835 -8.149 5.907 1.00 0.32 C ATOM 337 CD2 PHE A 57 1.139 -10.036 7.184 1.00 0.40 C ATOM 338 CE1 PHE A 57 1.801 -7.364 7.045 1.00 0.36 C ATOM 339 CE2 PHE A 57 1.101 -9.257 8.322 1.00 0.43 C ATOM 340 CZ PHE A 57 1.430 -7.919 8.253 1.00 0.40 C ATOM 0 H PHE A 57 1.764 -11.867 2.867 1.00 0.31 H new ATOM 0 HA PHE A 57 3.552 -10.038 4.048 1.00 0.31 H new ATOM 0 HB2 PHE A 57 1.120 -9.755 3.900 1.00 0.29 H new ATOM 0 HB3 PHE A 57 0.858 -11.187 4.875 1.00 0.29 H new ATOM 0 HD1 PHE A 57 2.119 -7.709 4.963 1.00 0.32 H new ATOM 0 HD2 PHE A 57 0.877 -11.082 7.245 1.00 0.40 H new ATOM 0 HE1 PHE A 57 2.064 -6.318 6.989 1.00 0.36 H new ATOM 0 HE2 PHE A 57 0.814 -9.695 9.267 1.00 0.43 H new ATOM 0 HZ PHE A 57 1.397 -7.307 9.142 1.00 0.40 H new ATOM 350 N TYR A 58 3.221 -12.900 5.638 1.00 0.35 N ATOM 351 CA TYR A 58 3.786 -13.698 6.725 1.00 0.41 C ATOM 352 C TYR A 58 5.261 -14.021 6.484 1.00 0.43 C ATOM 353 O TYR A 58 6.017 -14.231 7.432 1.00 0.46 O ATOM 354 CB TYR A 58 3.022 -15.015 6.903 1.00 0.50 C ATOM 355 CG TYR A 58 1.559 -14.860 7.254 1.00 0.91 C ATOM 356 CD1 TYR A 58 1.172 -14.057 8.319 1.00 1.50 C ATOM 357 CD2 TYR A 58 0.566 -15.503 6.525 1.00 1.23 C ATOM 358 CE1 TYR A 58 -0.161 -13.901 8.647 1.00 2.18 C ATOM 359 CE2 TYR A 58 -0.770 -15.351 6.850 1.00 1.92 C ATOM 360 CZ TYR A 58 -1.138 -14.600 7.886 1.00 2.35 C ATOM 361 OH TYR A 58 -2.456 -14.384 8.233 1.00 3.08 O ATOM 0 H TYR A 58 2.558 -13.398 5.044 1.00 0.35 H new ATOM 0 HA TYR A 58 3.694 -13.095 7.628 1.00 0.41 H new ATOM 0 HB2 TYR A 58 3.100 -15.591 5.981 1.00 0.50 H new ATOM 0 HB3 TYR A 58 3.509 -15.598 7.685 1.00 0.50 H new ATOM 0 HD1 TYR A 58 1.925 -13.546 8.900 1.00 1.50 H new ATOM 0 HD2 TYR A 58 0.842 -16.132 5.691 1.00 1.23 H new ATOM 0 HE1 TYR A 58 -0.455 -13.261 9.465 1.00 2.18 H new ATOM 0 HE2 TYR A 58 -1.523 -15.847 6.256 1.00 1.92 H new ATOM 0 HH TYR A 58 -3.039 -14.911 7.647 1.00 3.08 H new ATOM 371 N THR A 59 5.680 -14.027 5.228 1.00 0.44 N ATOM 372 CA THR A 59 7.057 -14.370 4.899 1.00 0.48 C ATOM 373 C THR A 59 7.969 -13.150 4.980 1.00 0.42 C ATOM 374 O THR A 59 9.186 -13.263 4.849 1.00 0.45 O ATOM 375 CB THR A 59 7.166 -15.028 3.506 1.00 0.59 C ATOM 376 OG1 THR A 59 6.344 -14.340 2.552 1.00 0.63 O ATOM 377 CG2 THR A 59 6.745 -16.486 3.559 1.00 0.75 C ATOM 0 H THR A 59 5.093 -13.801 4.425 1.00 0.44 H new ATOM 0 HA THR A 59 7.387 -15.096 5.642 1.00 0.48 H new ATOM 0 HB THR A 59 8.210 -14.966 3.198 1.00 0.59 H new ATOM 0 HG1 THR A 59 6.199 -13.418 2.850 1.00 0.63 H new ATOM 0 HG21 THR A 59 6.831 -16.926 2.565 1.00 0.75 H new ATOM 0 HG22 THR A 59 7.390 -17.026 4.252 1.00 0.75 H new ATOM 0 HG23 THR A 59 5.711 -16.554 3.898 1.00 0.75 H new ATOM 385 N LEU A 60 7.375 -11.983 5.210 1.00 0.37 N ATOM 386 CA LEU A 60 8.147 -10.763 5.407 1.00 0.38 C ATOM 387 C LEU A 60 8.337 -10.499 6.894 1.00 0.41 C ATOM 388 O LEU A 60 8.887 -9.474 7.289 1.00 0.56 O ATOM 389 CB LEU A 60 7.471 -9.570 4.726 1.00 0.40 C ATOM 390 CG LEU A 60 7.910 -9.306 3.278 1.00 0.52 C ATOM 391 CD1 LEU A 60 7.727 -10.538 2.414 1.00 1.26 C ATOM 392 CD2 LEU A 60 7.139 -8.133 2.696 1.00 1.25 C ATOM 0 H LEU A 60 6.364 -11.857 5.264 1.00 0.37 H new ATOM 0 HA LEU A 60 9.126 -10.897 4.948 1.00 0.38 H new ATOM 0 HB2 LEU A 60 6.393 -9.729 4.738 1.00 0.40 H new ATOM 0 HB3 LEU A 60 7.668 -8.676 5.317 1.00 0.40 H new ATOM 0 HG LEU A 60 8.972 -9.059 3.290 1.00 0.52 H new ATOM 0 HD11 LEU A 60 8.047 -10.319 1.395 1.00 1.26 H new ATOM 0 HD12 LEU A 60 8.327 -11.356 2.814 1.00 1.26 H new ATOM 0 HD13 LEU A 60 6.676 -10.827 2.410 1.00 1.26 H new ATOM 0 HD21 LEU A 60 7.462 -7.959 1.670 1.00 1.25 H new ATOM 0 HD22 LEU A 60 6.072 -8.357 2.708 1.00 1.25 H new ATOM 0 HD23 LEU A 60 7.329 -7.241 3.292 1.00 1.25 H new ATOM 404 N SER A 61 7.877 -11.454 7.700 1.00 0.36 N ATOM 405 CA SER A 61 8.053 -11.429 9.152 1.00 0.41 C ATOM 406 C SER A 61 7.310 -10.254 9.788 1.00 0.40 C ATOM 407 O SER A 61 7.874 -9.180 9.995 1.00 0.50 O ATOM 408 CB SER A 61 9.540 -11.390 9.510 1.00 0.55 C ATOM 409 OG SER A 61 10.233 -12.463 8.892 1.00 1.11 O ATOM 0 H SER A 61 7.369 -12.272 7.363 1.00 0.36 H new ATOM 0 HA SER A 61 7.622 -12.345 9.556 1.00 0.41 H new ATOM 0 HB2 SER A 61 9.971 -10.441 9.192 1.00 0.55 H new ATOM 0 HB3 SER A 61 9.660 -11.448 10.592 1.00 0.55 H new ATOM 0 HG SER A 61 11.182 -12.420 9.131 1.00 1.11 H new ATOM 415 N PRO A 62 6.018 -10.450 10.097 1.00 0.37 N ATOM 416 CA PRO A 62 5.173 -9.415 10.685 1.00 0.42 C ATOM 417 C PRO A 62 5.478 -9.193 12.162 1.00 0.47 C ATOM 418 O PRO A 62 5.274 -10.083 12.989 1.00 0.69 O ATOM 419 CB PRO A 62 3.744 -9.960 10.516 1.00 0.50 C ATOM 420 CG PRO A 62 3.873 -11.210 9.705 1.00 0.51 C ATOM 421 CD PRO A 62 5.277 -11.698 9.902 1.00 0.38 C ATOM 0 HA PRO A 62 5.331 -8.449 10.205 1.00 0.42 H new ATOM 0 HB2 PRO A 62 3.289 -10.168 11.484 1.00 0.50 H new ATOM 0 HB3 PRO A 62 3.106 -9.233 10.014 1.00 0.50 H new ATOM 0 HG2 PRO A 62 3.152 -11.960 10.030 1.00 0.51 H new ATOM 0 HG3 PRO A 62 3.675 -11.012 8.652 1.00 0.51 H new ATOM 0 HD2 PRO A 62 5.360 -12.359 10.765 1.00 0.38 H new ATOM 0 HD3 PRO A 62 5.639 -12.255 9.038 1.00 0.38 H new ATOM 429 N VAL A 63 5.966 -8.007 12.489 1.00 0.39 N ATOM 430 CA VAL A 63 6.242 -7.651 13.871 1.00 0.48 C ATOM 431 C VAL A 63 4.999 -7.030 14.497 1.00 0.42 C ATOM 432 O VAL A 63 4.561 -5.958 14.085 1.00 0.41 O ATOM 433 CB VAL A 63 7.421 -6.661 13.972 1.00 0.60 C ATOM 434 CG1 VAL A 63 7.739 -6.341 15.427 1.00 1.43 C ATOM 435 CG2 VAL A 63 8.647 -7.215 13.256 1.00 1.14 C ATOM 0 H VAL A 63 6.180 -7.273 11.814 1.00 0.39 H new ATOM 0 HA VAL A 63 6.515 -8.560 14.407 1.00 0.48 H new ATOM 0 HB VAL A 63 7.130 -5.732 13.481 1.00 0.60 H new ATOM 0 HG11 VAL A 63 8.574 -5.641 15.472 1.00 1.43 H new ATOM 0 HG12 VAL A 63 6.865 -5.894 15.901 1.00 1.43 H new ATOM 0 HG13 VAL A 63 8.006 -7.258 15.951 1.00 1.43 H new ATOM 0 HG21 VAL A 63 9.469 -6.503 13.338 1.00 1.14 H new ATOM 0 HG22 VAL A 63 8.939 -8.160 13.713 1.00 1.14 H new ATOM 0 HG23 VAL A 63 8.411 -7.378 12.204 1.00 1.14 H new ATOM 445 N ASN A 64 4.422 -7.733 15.473 1.00 0.47 N ATOM 446 CA ASN A 64 3.182 -7.302 16.129 1.00 0.50 C ATOM 447 C ASN A 64 2.023 -7.311 15.131 1.00 0.52 C ATOM 448 O ASN A 64 1.005 -6.648 15.332 1.00 0.68 O ATOM 449 CB ASN A 64 3.336 -5.903 16.751 1.00 0.57 C ATOM 450 CG ASN A 64 4.312 -5.870 17.913 1.00 1.25 C ATOM 451 OD1 ASN A 64 4.493 -6.858 18.622 1.00 2.15 O ATOM 452 ND2 ASN A 64 4.947 -4.726 18.114 1.00 1.72 N ATOM 0 H ASN A 64 4.796 -8.612 15.831 1.00 0.47 H new ATOM 0 HA ASN A 64 2.966 -8.006 16.932 1.00 0.50 H new ATOM 0 HB2 ASN A 64 3.671 -5.206 15.983 1.00 0.57 H new ATOM 0 HB3 ASN A 64 2.361 -5.555 17.093 1.00 0.57 H new ATOM 0 HD21 ASN A 64 5.615 -4.641 18.880 1.00 1.72 H new ATOM 0 HD22 ASN A 64 4.768 -3.929 17.503 1.00 1.72 H new ATOM 459 N GLY A 65 2.175 -8.099 14.072 1.00 0.46 N ATOM 460 CA GLY A 65 1.153 -8.181 13.047 1.00 0.55 C ATOM 461 C GLY A 65 1.288 -7.084 12.006 1.00 0.45 C ATOM 462 O GLY A 65 0.341 -6.789 11.281 1.00 0.62 O ATOM 0 H GLY A 65 2.993 -8.685 13.906 1.00 0.46 H new ATOM 0 HA2 GLY A 65 1.211 -9.153 12.557 1.00 0.55 H new ATOM 0 HA3 GLY A 65 0.169 -8.117 13.512 1.00 0.55 H new ATOM 466 N LYS A 66 2.467 -6.483 11.928 1.00 0.32 N ATOM 467 CA LYS A 66 2.723 -5.413 10.972 1.00 0.35 C ATOM 468 C LYS A 66 4.161 -5.513 10.461 1.00 0.27 C ATOM 469 O LYS A 66 5.089 -5.667 11.251 1.00 0.42 O ATOM 470 CB LYS A 66 2.490 -4.060 11.652 1.00 0.58 C ATOM 471 CG LYS A 66 2.035 -2.953 10.716 1.00 0.74 C ATOM 472 CD LYS A 66 1.824 -1.651 11.473 1.00 0.90 C ATOM 473 CE LYS A 66 1.273 -0.560 10.577 1.00 1.52 C ATOM 474 NZ LYS A 66 -0.129 -0.822 10.158 1.00 2.24 N ATOM 0 H LYS A 66 3.265 -6.719 12.518 1.00 0.32 H new ATOM 0 HA LYS A 66 2.045 -5.506 10.124 1.00 0.35 H new ATOM 0 HB2 LYS A 66 1.743 -4.186 12.436 1.00 0.58 H new ATOM 0 HB3 LYS A 66 3.414 -3.749 12.140 1.00 0.58 H new ATOM 0 HG2 LYS A 66 2.779 -2.806 9.933 1.00 0.74 H new ATOM 0 HG3 LYS A 66 1.108 -3.246 10.224 1.00 0.74 H new ATOM 0 HD2 LYS A 66 1.138 -1.820 12.303 1.00 0.90 H new ATOM 0 HD3 LYS A 66 2.770 -1.324 11.904 1.00 0.90 H new ATOM 0 HE2 LYS A 66 1.320 0.395 11.101 1.00 1.52 H new ATOM 0 HE3 LYS A 66 1.902 -0.469 9.692 1.00 1.52 H new ATOM 0 HZ1 LYS A 66 -0.144 -1.117 9.161 1.00 2.24 H new ATOM 0 HZ2 LYS A 66 -0.533 -1.577 10.749 1.00 2.24 H new ATOM 0 HZ3 LYS A 66 -0.693 0.045 10.271 1.00 2.24 H new ATOM 488 N ILE A 67 4.358 -5.444 9.152 1.00 0.24 N ATOM 489 CA ILE A 67 5.702 -5.574 8.601 1.00 0.24 C ATOM 490 C ILE A 67 6.358 -4.213 8.433 1.00 0.28 C ATOM 491 O ILE A 67 5.680 -3.193 8.256 1.00 0.31 O ATOM 492 CB ILE A 67 5.729 -6.319 7.247 1.00 0.24 C ATOM 493 CG1 ILE A 67 4.873 -5.585 6.213 1.00 0.25 C ATOM 494 CG2 ILE A 67 5.265 -7.759 7.418 1.00 0.26 C ATOM 495 CD1 ILE A 67 4.924 -6.198 4.833 1.00 0.28 C ATOM 0 H ILE A 67 3.621 -5.302 8.462 1.00 0.24 H new ATOM 0 HA ILE A 67 6.262 -6.169 9.322 1.00 0.24 H new ATOM 0 HB ILE A 67 6.756 -6.338 6.883 1.00 0.24 H new ATOM 0 HG12 ILE A 67 3.838 -5.571 6.556 1.00 0.25 H new ATOM 0 HG13 ILE A 67 5.203 -4.548 6.152 1.00 0.25 H new ATOM 0 HG21 ILE A 67 5.291 -8.267 6.454 1.00 0.26 H new ATOM 0 HG22 ILE A 67 5.925 -8.273 8.117 1.00 0.26 H new ATOM 0 HG23 ILE A 67 4.246 -7.769 7.806 1.00 0.26 H new ATOM 0 HD11 ILE A 67 4.293 -5.623 4.156 1.00 0.28 H new ATOM 0 HD12 ILE A 67 5.951 -6.188 4.468 1.00 0.28 H new ATOM 0 HD13 ILE A 67 4.565 -7.226 4.878 1.00 0.28 H new ATOM 507 N THR A 68 7.680 -4.201 8.495 1.00 0.33 N ATOM 508 CA THR A 68 8.441 -2.972 8.389 1.00 0.38 C ATOM 509 C THR A 68 8.691 -2.609 6.930 1.00 0.39 C ATOM 510 O THR A 68 8.606 -3.467 6.042 1.00 0.46 O ATOM 511 CB THR A 68 9.788 -3.106 9.115 1.00 0.44 C ATOM 512 OG1 THR A 68 10.482 -4.271 8.645 1.00 0.52 O ATOM 513 CG2 THR A 68 9.584 -3.200 10.618 1.00 0.42 C ATOM 0 H THR A 68 8.250 -5.038 8.619 1.00 0.33 H new ATOM 0 HA THR A 68 7.855 -2.180 8.856 1.00 0.38 H new ATOM 0 HB THR A 68 10.384 -2.218 8.902 1.00 0.44 H new ATOM 0 HG1 THR A 68 11.341 -4.350 9.111 1.00 0.52 H new ATOM 0 HG21 THR A 68 10.551 -3.294 11.111 1.00 0.42 H new ATOM 0 HG22 THR A 68 9.081 -2.301 10.974 1.00 0.42 H new ATOM 0 HG23 THR A 68 8.973 -4.073 10.848 1.00 0.42 H new ATOM 521 N GLY A 69 9.009 -1.341 6.691 1.00 0.38 N ATOM 522 CA GLY A 69 9.297 -0.881 5.348 1.00 0.38 C ATOM 523 C GLY A 69 10.492 -1.586 4.734 1.00 0.36 C ATOM 524 O GLY A 69 10.554 -1.755 3.521 1.00 0.37 O ATOM 0 H GLY A 69 9.072 -0.620 7.410 1.00 0.38 H new ATOM 0 HA2 GLY A 69 8.422 -1.041 4.718 1.00 0.38 H new ATOM 0 HA3 GLY A 69 9.484 0.193 5.368 1.00 0.38 H new ATOM 528 N ALA A 70 11.436 -2.004 5.574 1.00 0.36 N ATOM 529 CA ALA A 70 12.628 -2.712 5.114 1.00 0.37 C ATOM 530 C ALA A 70 12.267 -3.971 4.328 1.00 0.34 C ATOM 531 O ALA A 70 12.739 -4.178 3.205 1.00 0.33 O ATOM 532 CB ALA A 70 13.514 -3.068 6.297 1.00 0.40 C ATOM 0 H ALA A 70 11.398 -1.863 6.584 1.00 0.36 H new ATOM 0 HA ALA A 70 13.172 -2.047 4.443 1.00 0.37 H new ATOM 0 HB1 ALA A 70 14.400 -3.595 5.943 1.00 0.40 H new ATOM 0 HB2 ALA A 70 13.817 -2.156 6.812 1.00 0.40 H new ATOM 0 HB3 ALA A 70 12.962 -3.708 6.985 1.00 0.40 H new ATOM 538 N ASN A 71 11.403 -4.792 4.913 1.00 0.40 N ATOM 539 CA ASN A 71 11.049 -6.079 4.328 1.00 0.47 C ATOM 540 C ASN A 71 10.119 -5.898 3.136 1.00 0.36 C ATOM 541 O ASN A 71 10.228 -6.604 2.132 1.00 0.33 O ATOM 542 CB ASN A 71 10.414 -6.989 5.383 1.00 0.64 C ATOM 543 CG ASN A 71 11.415 -7.382 6.450 1.00 0.80 C ATOM 544 OD1 ASN A 71 12.094 -8.403 6.336 1.00 1.73 O ATOM 545 ND2 ASN A 71 11.512 -6.576 7.497 1.00 0.58 N ATOM 0 H ASN A 71 10.933 -4.588 5.795 1.00 0.40 H new ATOM 0 HA ASN A 71 11.962 -6.554 3.969 1.00 0.47 H new ATOM 0 HB2 ASN A 71 9.569 -6.478 5.845 1.00 0.64 H new ATOM 0 HB3 ASN A 71 10.021 -7.885 4.903 1.00 0.64 H new ATOM 0 HD21 ASN A 71 12.168 -6.792 8.248 1.00 0.58 H new ATOM 0 HD22 ASN A 71 10.931 -5.740 7.552 1.00 0.58 H new ATOM 552 N ALA A 72 9.221 -4.933 3.233 1.00 0.35 N ATOM 553 CA ALA A 72 8.324 -4.636 2.131 1.00 0.30 C ATOM 554 C ALA A 72 9.095 -4.018 0.967 1.00 0.29 C ATOM 555 O ALA A 72 8.714 -4.170 -0.192 1.00 0.30 O ATOM 556 CB ALA A 72 7.192 -3.728 2.592 1.00 0.36 C ATOM 0 H ALA A 72 9.094 -4.346 4.057 1.00 0.35 H new ATOM 0 HA ALA A 72 7.880 -5.568 1.781 1.00 0.30 H new ATOM 0 HB1 ALA A 72 6.530 -3.517 1.752 1.00 0.36 H new ATOM 0 HB2 ALA A 72 6.628 -4.223 3.383 1.00 0.36 H new ATOM 0 HB3 ALA A 72 7.606 -2.794 2.971 1.00 0.36 H new ATOM 562 N LYS A 73 10.204 -3.346 1.277 1.00 0.28 N ATOM 563 CA LYS A 73 11.043 -2.751 0.246 1.00 0.31 C ATOM 564 C LYS A 73 11.811 -3.819 -0.519 1.00 0.31 C ATOM 565 O LYS A 73 11.806 -3.820 -1.748 1.00 0.34 O ATOM 566 CB LYS A 73 12.024 -1.732 0.841 1.00 0.35 C ATOM 567 CG LYS A 73 13.024 -1.195 -0.173 1.00 0.39 C ATOM 568 CD LYS A 73 13.889 -0.078 0.399 1.00 0.53 C ATOM 569 CE LYS A 73 14.761 -0.554 1.553 1.00 0.61 C ATOM 570 NZ LYS A 73 15.729 0.495 1.982 1.00 0.54 N ATOM 0 H LYS A 73 10.538 -3.202 2.230 1.00 0.28 H new ATOM 0 HA LYS A 73 10.381 -2.230 -0.446 1.00 0.31 H new ATOM 0 HB2 LYS A 73 11.461 -0.899 1.262 1.00 0.35 H new ATOM 0 HB3 LYS A 73 12.566 -2.198 1.664 1.00 0.35 H new ATOM 0 HG2 LYS A 73 13.664 -2.009 -0.513 1.00 0.39 H new ATOM 0 HG3 LYS A 73 12.488 -0.824 -1.047 1.00 0.39 H new ATOM 0 HD2 LYS A 73 14.523 0.327 -0.389 1.00 0.53 H new ATOM 0 HD3 LYS A 73 13.249 0.735 0.742 1.00 0.53 H new ATOM 0 HE2 LYS A 73 14.129 -0.832 2.396 1.00 0.61 H new ATOM 0 HE3 LYS A 73 15.305 -1.450 1.253 1.00 0.61 H new ATOM 0 HZ1 LYS A 73 16.305 0.135 2.769 1.00 0.54 H new ATOM 0 HZ2 LYS A 73 16.349 0.743 1.184 1.00 0.54 H new ATOM 0 HZ3 LYS A 73 15.209 1.341 2.292 1.00 0.54 H new ATOM 584 N LYS A 74 12.472 -4.726 0.204 1.00 0.32 N ATOM 585 CA LYS A 74 13.226 -5.800 -0.438 1.00 0.36 C ATOM 586 C LYS A 74 12.304 -6.659 -1.299 1.00 0.34 C ATOM 587 O LYS A 74 12.690 -7.097 -2.386 1.00 0.37 O ATOM 588 CB LYS A 74 13.960 -6.660 0.601 1.00 0.43 C ATOM 589 CG LYS A 74 13.075 -7.156 1.728 1.00 0.90 C ATOM 590 CD LYS A 74 13.815 -8.074 2.688 1.00 1.04 C ATOM 591 CE LYS A 74 14.110 -9.420 2.058 1.00 1.26 C ATOM 592 NZ LYS A 74 14.766 -10.336 3.023 1.00 2.24 N ATOM 0 H LYS A 74 12.500 -4.737 1.224 1.00 0.32 H new ATOM 0 HA LYS A 74 13.978 -5.346 -1.084 1.00 0.36 H new ATOM 0 HB2 LYS A 74 14.405 -7.518 0.098 1.00 0.43 H new ATOM 0 HB3 LYS A 74 14.779 -6.079 1.025 1.00 0.43 H new ATOM 0 HG2 LYS A 74 12.680 -6.302 2.278 1.00 0.90 H new ATOM 0 HG3 LYS A 74 12.221 -7.687 1.308 1.00 0.90 H new ATOM 0 HD2 LYS A 74 14.749 -7.603 2.995 1.00 1.04 H new ATOM 0 HD3 LYS A 74 13.218 -8.216 3.589 1.00 1.04 H new ATOM 0 HE2 LYS A 74 13.182 -9.868 1.701 1.00 1.26 H new ATOM 0 HE3 LYS A 74 14.753 -9.284 1.188 1.00 1.26 H new ATOM 0 HZ1 LYS A 74 14.955 -11.249 2.562 1.00 2.24 H new ATOM 0 HZ2 LYS A 74 15.663 -9.918 3.344 1.00 2.24 H new ATOM 0 HZ3 LYS A 74 14.141 -10.484 3.841 1.00 2.24 H new ATOM 606 N GLU A 75 11.080 -6.866 -0.822 1.00 0.32 N ATOM 607 CA GLU A 75 10.068 -7.578 -1.589 1.00 0.33 C ATOM 608 C GLU A 75 9.767 -6.828 -2.888 1.00 0.31 C ATOM 609 O GLU A 75 9.857 -7.382 -3.989 1.00 0.37 O ATOM 610 CB GLU A 75 8.789 -7.708 -0.758 1.00 0.36 C ATOM 611 CG GLU A 75 7.699 -8.518 -1.435 1.00 0.40 C ATOM 612 CD GLU A 75 8.108 -9.965 -1.630 1.00 0.44 C ATOM 613 OE1 GLU A 75 8.404 -10.645 -0.627 1.00 0.76 O ATOM 614 OE2 GLU A 75 8.111 -10.435 -2.788 1.00 0.82 O ATOM 0 H GLU A 75 10.766 -6.549 0.095 1.00 0.32 H new ATOM 0 HA GLU A 75 10.443 -8.572 -1.834 1.00 0.33 H new ATOM 0 HB2 GLU A 75 9.033 -8.172 0.198 1.00 0.36 H new ATOM 0 HB3 GLU A 75 8.406 -6.711 -0.540 1.00 0.36 H new ATOM 0 HG2 GLU A 75 6.790 -8.475 -0.835 1.00 0.40 H new ATOM 0 HG3 GLU A 75 7.464 -8.074 -2.402 1.00 0.40 H new ATOM 621 N MET A 76 9.461 -5.544 -2.747 1.00 0.28 N ATOM 622 CA MET A 76 9.030 -4.727 -3.874 1.00 0.31 C ATOM 623 C MET A 76 10.162 -4.518 -4.874 1.00 0.33 C ATOM 624 O MET A 76 9.924 -4.341 -6.067 1.00 0.38 O ATOM 625 CB MET A 76 8.507 -3.379 -3.381 1.00 0.40 C ATOM 626 CG MET A 76 7.384 -2.829 -4.248 1.00 0.65 C ATOM 627 SD MET A 76 6.568 -1.389 -3.531 1.00 1.04 S ATOM 628 CE MET A 76 5.863 -2.098 -2.044 1.00 0.63 C ATOM 0 H MET A 76 9.504 -5.044 -1.859 1.00 0.28 H new ATOM 0 HA MET A 76 8.225 -5.258 -4.383 1.00 0.31 H new ATOM 0 HB2 MET A 76 8.150 -3.486 -2.357 1.00 0.40 H new ATOM 0 HB3 MET A 76 9.328 -2.662 -3.360 1.00 0.40 H new ATOM 0 HG2 MET A 76 7.787 -2.561 -5.225 1.00 0.65 H new ATOM 0 HG3 MET A 76 6.644 -3.613 -4.412 1.00 0.65 H new ATOM 0 HE1 MET A 76 4.999 -1.509 -1.734 1.00 0.63 H new ATOM 0 HE2 MET A 76 5.551 -3.123 -2.242 1.00 0.63 H new ATOM 0 HE3 MET A 76 6.609 -2.093 -1.249 1.00 0.63 H new ATOM 638 N VAL A 77 11.392 -4.563 -4.389 1.00 0.35 N ATOM 639 CA VAL A 77 12.547 -4.379 -5.226 1.00 0.44 C ATOM 640 C VAL A 77 12.832 -5.652 -6.020 1.00 0.49 C ATOM 641 O VAL A 77 13.133 -5.596 -7.216 1.00 0.62 O ATOM 642 CB VAL A 77 13.757 -3.957 -4.362 1.00 0.52 C ATOM 643 CG1 VAL A 77 15.034 -4.617 -4.832 1.00 0.78 C ATOM 644 CG2 VAL A 77 13.898 -2.442 -4.359 1.00 1.02 C ATOM 0 H VAL A 77 11.609 -4.728 -3.406 1.00 0.35 H new ATOM 0 HA VAL A 77 12.354 -3.582 -5.945 1.00 0.44 H new ATOM 0 HB VAL A 77 13.576 -4.294 -3.341 1.00 0.52 H new ATOM 0 HG11 VAL A 77 15.863 -4.296 -4.201 1.00 0.78 H new ATOM 0 HG12 VAL A 77 14.928 -5.700 -4.770 1.00 0.78 H new ATOM 0 HG13 VAL A 77 15.233 -4.331 -5.865 1.00 0.78 H new ATOM 0 HG21 VAL A 77 14.754 -2.157 -3.747 1.00 1.02 H new ATOM 0 HG22 VAL A 77 14.048 -2.089 -5.379 1.00 1.02 H new ATOM 0 HG23 VAL A 77 12.993 -1.993 -3.949 1.00 1.02 H new ATOM 654 N LYS A 78 12.682 -6.802 -5.363 1.00 0.46 N ATOM 655 CA LYS A 78 12.880 -8.091 -6.014 1.00 0.58 C ATOM 656 C LYS A 78 11.721 -8.405 -6.954 1.00 0.53 C ATOM 657 O LYS A 78 11.769 -9.372 -7.716 1.00 0.62 O ATOM 658 CB LYS A 78 13.035 -9.204 -4.976 1.00 0.76 C ATOM 659 CG LYS A 78 14.369 -9.174 -4.241 1.00 0.97 C ATOM 660 CD LYS A 78 14.470 -10.298 -3.221 1.00 1.17 C ATOM 661 CE LYS A 78 15.865 -10.381 -2.611 1.00 2.01 C ATOM 662 NZ LYS A 78 16.892 -10.830 -3.595 1.00 3.04 N ATOM 0 H LYS A 78 12.423 -6.864 -4.378 1.00 0.46 H new ATOM 0 HA LYS A 78 13.797 -8.034 -6.601 1.00 0.58 H new ATOM 0 HB2 LYS A 78 12.227 -9.125 -4.248 1.00 0.76 H new ATOM 0 HB3 LYS A 78 12.925 -10.169 -5.471 1.00 0.76 H new ATOM 0 HG2 LYS A 78 15.184 -9.260 -4.960 1.00 0.97 H new ATOM 0 HG3 LYS A 78 14.487 -8.214 -3.739 1.00 0.97 H new ATOM 0 HD2 LYS A 78 13.736 -10.140 -2.431 1.00 1.17 H new ATOM 0 HD3 LYS A 78 14.225 -11.246 -3.699 1.00 1.17 H new ATOM 0 HE2 LYS A 78 16.145 -9.404 -2.218 1.00 2.01 H new ATOM 0 HE3 LYS A 78 15.849 -11.071 -1.767 1.00 2.01 H new ATOM 0 HZ1 LYS A 78 17.778 -11.049 -3.096 1.00 3.04 H new ATOM 0 HZ2 LYS A 78 16.552 -11.681 -4.088 1.00 3.04 H new ATOM 0 HZ3 LYS A 78 17.063 -10.074 -4.288 1.00 3.04 H new ATOM 676 N SER A 79 10.677 -7.588 -6.890 1.00 0.47 N ATOM 677 CA SER A 79 9.553 -7.717 -7.803 1.00 0.49 C ATOM 678 C SER A 79 9.942 -7.226 -9.206 1.00 0.48 C ATOM 679 O SER A 79 9.220 -7.465 -10.179 1.00 0.57 O ATOM 680 CB SER A 79 8.355 -6.927 -7.270 1.00 0.48 C ATOM 681 OG SER A 79 7.148 -7.313 -7.904 1.00 0.86 O ATOM 0 H SER A 79 10.587 -6.829 -6.214 1.00 0.47 H new ATOM 0 HA SER A 79 9.276 -8.769 -7.875 1.00 0.49 H new ATOM 0 HB2 SER A 79 8.267 -7.082 -6.195 1.00 0.48 H new ATOM 0 HB3 SER A 79 8.523 -5.861 -7.426 1.00 0.48 H new ATOM 0 HG SER A 79 7.313 -7.460 -8.859 1.00 0.86 H new ATOM 687 N LYS A 80 11.094 -6.543 -9.291 1.00 0.44 N ATOM 688 CA LYS A 80 11.642 -6.034 -10.557 1.00 0.47 C ATOM 689 C LYS A 80 10.874 -4.826 -11.085 1.00 0.46 C ATOM 690 O LYS A 80 10.862 -4.563 -12.288 1.00 0.58 O ATOM 691 CB LYS A 80 11.705 -7.133 -11.619 1.00 0.60 C ATOM 692 CG LYS A 80 12.823 -8.135 -11.385 1.00 0.64 C ATOM 693 CD LYS A 80 14.194 -7.487 -11.559 1.00 1.15 C ATOM 694 CE LYS A 80 15.320 -8.501 -11.453 1.00 1.42 C ATOM 695 NZ LYS A 80 15.405 -9.096 -10.096 1.00 2.05 N ATOM 0 H LYS A 80 11.674 -6.328 -8.480 1.00 0.44 H new ATOM 0 HA LYS A 80 12.657 -5.702 -10.339 1.00 0.47 H new ATOM 0 HB2 LYS A 80 10.752 -7.662 -11.641 1.00 0.60 H new ATOM 0 HB3 LYS A 80 11.838 -6.674 -12.599 1.00 0.60 H new ATOM 0 HG2 LYS A 80 12.739 -8.549 -10.380 1.00 0.64 H new ATOM 0 HG3 LYS A 80 12.720 -8.967 -12.082 1.00 0.64 H new ATOM 0 HD2 LYS A 80 14.241 -6.993 -12.530 1.00 1.15 H new ATOM 0 HD3 LYS A 80 14.329 -6.715 -10.802 1.00 1.15 H new ATOM 0 HE2 LYS A 80 15.166 -9.292 -12.187 1.00 1.42 H new ATOM 0 HE3 LYS A 80 16.267 -8.019 -11.698 1.00 1.42 H new ATOM 0 HZ1 LYS A 80 16.246 -9.705 -10.036 1.00 2.05 H new ATOM 0 HZ2 LYS A 80 15.475 -8.337 -9.388 1.00 2.05 H new ATOM 0 HZ3 LYS A 80 14.553 -9.663 -9.912 1.00 2.05 H new ATOM 709 N LEU A 81 10.251 -4.082 -10.186 1.00 0.42 N ATOM 710 CA LEU A 81 9.634 -2.817 -10.548 1.00 0.43 C ATOM 711 C LEU A 81 10.572 -1.668 -10.181 1.00 0.43 C ATOM 712 O LEU A 81 11.294 -1.746 -9.185 1.00 0.44 O ATOM 713 CB LEU A 81 8.264 -2.649 -9.865 1.00 0.46 C ATOM 714 CG LEU A 81 7.076 -3.360 -10.538 1.00 0.63 C ATOM 715 CD1 LEU A 81 6.907 -2.888 -11.973 1.00 1.34 C ATOM 716 CD2 LEU A 81 7.231 -4.874 -10.482 1.00 1.22 C ATOM 0 H LEU A 81 10.159 -4.332 -9.201 1.00 0.42 H new ATOM 0 HA LEU A 81 9.462 -2.806 -11.624 1.00 0.43 H new ATOM 0 HB2 LEU A 81 8.345 -3.013 -8.841 1.00 0.46 H new ATOM 0 HB3 LEU A 81 8.038 -1.584 -9.808 1.00 0.46 H new ATOM 0 HG LEU A 81 6.175 -3.098 -9.983 1.00 0.63 H new ATOM 0 HD11 LEU A 81 6.062 -3.404 -12.429 1.00 1.34 H new ATOM 0 HD12 LEU A 81 6.725 -1.813 -11.983 1.00 1.34 H new ATOM 0 HD13 LEU A 81 7.813 -3.108 -12.537 1.00 1.34 H new ATOM 0 HD21 LEU A 81 6.376 -5.345 -10.966 1.00 1.22 H new ATOM 0 HD22 LEU A 81 8.146 -5.165 -10.998 1.00 1.22 H new ATOM 0 HD23 LEU A 81 7.283 -5.196 -9.442 1.00 1.22 H new ATOM 728 N PRO A 82 10.601 -0.601 -11.000 1.00 0.45 N ATOM 729 CA PRO A 82 11.449 0.569 -10.751 1.00 0.49 C ATOM 730 C PRO A 82 11.127 1.255 -9.423 1.00 0.44 C ATOM 731 O PRO A 82 9.961 1.416 -9.072 1.00 0.39 O ATOM 732 CB PRO A 82 11.138 1.512 -11.920 1.00 0.54 C ATOM 733 CG PRO A 82 9.877 1.001 -12.533 1.00 0.62 C ATOM 734 CD PRO A 82 9.829 -0.466 -12.244 1.00 0.48 C ATOM 0 HA PRO A 82 12.500 0.288 -10.684 1.00 0.49 H new ATOM 0 HB2 PRO A 82 11.016 2.538 -11.572 1.00 0.54 H new ATOM 0 HB3 PRO A 82 11.951 1.516 -12.646 1.00 0.54 H new ATOM 0 HG2 PRO A 82 9.008 1.508 -12.113 1.00 0.62 H new ATOM 0 HG3 PRO A 82 9.865 1.185 -13.607 1.00 0.62 H new ATOM 0 HD2 PRO A 82 8.804 -0.816 -12.120 1.00 0.48 H new ATOM 0 HD3 PRO A 82 10.269 -1.048 -13.054 1.00 0.48 H new ATOM 742 N ASN A 83 12.171 1.675 -8.708 1.00 0.49 N ATOM 743 CA ASN A 83 12.036 2.303 -7.384 1.00 0.48 C ATOM 744 C ASN A 83 11.042 3.463 -7.395 1.00 0.41 C ATOM 745 O ASN A 83 10.331 3.685 -6.415 1.00 0.37 O ATOM 746 CB ASN A 83 13.400 2.804 -6.889 1.00 0.57 C ATOM 747 CG ASN A 83 14.370 1.673 -6.605 1.00 0.71 C ATOM 748 OD1 ASN A 83 15.069 1.207 -7.501 1.00 0.94 O ATOM 749 ND2 ASN A 83 14.421 1.231 -5.357 1.00 0.89 N ATOM 0 H ASN A 83 13.136 1.592 -9.026 1.00 0.49 H new ATOM 0 HA ASN A 83 11.654 1.539 -6.707 1.00 0.48 H new ATOM 0 HB2 ASN A 83 13.832 3.469 -7.637 1.00 0.57 H new ATOM 0 HB3 ASN A 83 13.259 3.393 -5.983 1.00 0.57 H new ATOM 0 HD21 ASN A 83 15.059 0.475 -5.110 1.00 0.89 H new ATOM 0 HD22 ASN A 83 13.822 1.647 -4.644 1.00 0.89 H new ATOM 756 N THR A 84 11.001 4.196 -8.500 1.00 0.44 N ATOM 757 CA THR A 84 10.064 5.301 -8.656 1.00 0.42 C ATOM 758 C THR A 84 8.625 4.815 -8.486 1.00 0.35 C ATOM 759 O THR A 84 7.806 5.453 -7.820 1.00 0.35 O ATOM 760 CB THR A 84 10.225 5.944 -10.042 1.00 0.48 C ATOM 761 OG1 THR A 84 11.616 5.997 -10.382 1.00 0.59 O ATOM 762 CG2 THR A 84 9.639 7.347 -10.062 1.00 0.46 C ATOM 0 H THR A 84 11.609 4.044 -9.305 1.00 0.44 H new ATOM 0 HA THR A 84 10.282 6.041 -7.886 1.00 0.42 H new ATOM 0 HB THR A 84 9.687 5.338 -10.771 1.00 0.48 H new ATOM 0 HG1 THR A 84 11.721 6.405 -11.267 1.00 0.59 H new ATOM 0 HG21 THR A 84 9.766 7.780 -11.054 1.00 0.46 H new ATOM 0 HG22 THR A 84 8.577 7.301 -9.819 1.00 0.46 H new ATOM 0 HG23 THR A 84 10.153 7.967 -9.327 1.00 0.46 H new ATOM 770 N VAL A 85 8.343 3.646 -9.046 1.00 0.34 N ATOM 771 CA VAL A 85 7.006 3.087 -9.026 1.00 0.31 C ATOM 772 C VAL A 85 6.707 2.570 -7.633 1.00 0.27 C ATOM 773 O VAL A 85 5.611 2.737 -7.119 1.00 0.29 O ATOM 774 CB VAL A 85 6.863 1.955 -10.069 1.00 0.33 C ATOM 775 CG1 VAL A 85 5.540 1.217 -9.925 1.00 0.36 C ATOM 776 CG2 VAL A 85 6.998 2.520 -11.473 1.00 0.40 C ATOM 0 H VAL A 85 9.033 3.065 -9.523 1.00 0.34 H new ATOM 0 HA VAL A 85 6.289 3.866 -9.287 1.00 0.31 H new ATOM 0 HB VAL A 85 7.662 1.236 -9.889 1.00 0.33 H new ATOM 0 HG11 VAL A 85 5.479 0.430 -10.676 1.00 0.36 H new ATOM 0 HG12 VAL A 85 5.476 0.775 -8.931 1.00 0.36 H new ATOM 0 HG13 VAL A 85 4.716 1.917 -10.065 1.00 0.36 H new ATOM 0 HG21 VAL A 85 6.896 1.715 -12.201 1.00 0.40 H new ATOM 0 HG22 VAL A 85 6.219 3.263 -11.643 1.00 0.40 H new ATOM 0 HG23 VAL A 85 7.976 2.988 -11.584 1.00 0.40 H new ATOM 786 N LEU A 86 7.721 1.982 -7.027 1.00 0.25 N ATOM 787 CA LEU A 86 7.639 1.488 -5.661 1.00 0.24 C ATOM 788 C LEU A 86 7.288 2.621 -4.710 1.00 0.25 C ATOM 789 O LEU A 86 6.424 2.480 -3.846 1.00 0.27 O ATOM 790 CB LEU A 86 8.976 0.878 -5.253 1.00 0.26 C ATOM 791 CG LEU A 86 9.252 -0.549 -5.757 1.00 0.41 C ATOM 792 CD1 LEU A 86 8.881 -0.723 -7.217 1.00 1.25 C ATOM 793 CD2 LEU A 86 10.715 -0.904 -5.556 1.00 1.23 C ATOM 0 H LEU A 86 8.629 1.832 -7.468 1.00 0.25 H new ATOM 0 HA LEU A 86 6.860 0.728 -5.610 1.00 0.24 H new ATOM 0 HB2 LEU A 86 9.773 1.529 -5.612 1.00 0.26 H new ATOM 0 HB3 LEU A 86 9.033 0.874 -4.165 1.00 0.26 H new ATOM 0 HG LEU A 86 8.625 -1.222 -5.172 1.00 0.41 H new ATOM 0 HD11 LEU A 86 9.094 -1.746 -7.527 1.00 1.25 H new ATOM 0 HD12 LEU A 86 7.819 -0.517 -7.350 1.00 1.25 H new ATOM 0 HD13 LEU A 86 9.463 -0.031 -7.825 1.00 1.25 H new ATOM 0 HD21 LEU A 86 10.897 -1.916 -5.917 1.00 1.23 H new ATOM 0 HD22 LEU A 86 11.339 -0.204 -6.111 1.00 1.23 H new ATOM 0 HD23 LEU A 86 10.961 -0.847 -4.496 1.00 1.23 H new ATOM 805 N GLY A 87 7.970 3.749 -4.886 1.00 0.28 N ATOM 806 CA GLY A 87 7.694 4.918 -4.084 1.00 0.32 C ATOM 807 C GLY A 87 6.262 5.384 -4.235 1.00 0.31 C ATOM 808 O GLY A 87 5.621 5.762 -3.260 1.00 0.34 O ATOM 0 H GLY A 87 8.712 3.870 -5.575 1.00 0.28 H new ATOM 0 HA2 GLY A 87 7.894 4.694 -3.036 1.00 0.32 H new ATOM 0 HA3 GLY A 87 8.370 5.723 -4.372 1.00 0.32 H new ATOM 812 N LYS A 88 5.746 5.328 -5.455 1.00 0.29 N ATOM 813 CA LYS A 88 4.376 5.758 -5.718 1.00 0.32 C ATOM 814 C LYS A 88 3.384 4.764 -5.121 1.00 0.31 C ATOM 815 O LYS A 88 2.406 5.156 -4.485 1.00 0.33 O ATOM 816 CB LYS A 88 4.135 5.914 -7.222 1.00 0.37 C ATOM 817 CG LYS A 88 5.062 6.924 -7.877 1.00 1.10 C ATOM 818 CD LYS A 88 4.782 7.060 -9.365 1.00 1.05 C ATOM 819 CE LYS A 88 3.456 7.762 -9.632 1.00 0.68 C ATOM 820 NZ LYS A 88 3.244 8.011 -11.084 1.00 1.16 N ATOM 0 H LYS A 88 6.250 4.991 -6.275 1.00 0.29 H new ATOM 0 HA LYS A 88 4.225 6.729 -5.246 1.00 0.32 H new ATOM 0 HB2 LYS A 88 4.264 4.946 -7.706 1.00 0.37 H new ATOM 0 HB3 LYS A 88 3.102 6.219 -7.388 1.00 0.37 H new ATOM 0 HG2 LYS A 88 4.943 7.894 -7.394 1.00 1.10 H new ATOM 0 HG3 LYS A 88 6.098 6.618 -7.728 1.00 1.10 H new ATOM 0 HD2 LYS A 88 5.590 7.619 -9.837 1.00 1.05 H new ATOM 0 HD3 LYS A 88 4.768 6.071 -9.824 1.00 1.05 H new ATOM 0 HE2 LYS A 88 2.639 7.154 -9.245 1.00 0.68 H new ATOM 0 HE3 LYS A 88 3.432 8.709 -9.094 1.00 0.68 H new ATOM 0 HZ1 LYS A 88 2.332 8.490 -11.225 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 4.010 8.612 -11.449 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 3.242 7.105 -11.595 1.00 1.16 H new ATOM 834 N ILE A 89 3.659 3.478 -5.312 1.00 0.28 N ATOM 835 CA ILE A 89 2.823 2.415 -4.762 1.00 0.30 C ATOM 836 C ILE A 89 2.722 2.555 -3.250 1.00 0.28 C ATOM 837 O ILE A 89 1.630 2.511 -2.688 1.00 0.30 O ATOM 838 CB ILE A 89 3.375 1.006 -5.099 1.00 0.31 C ATOM 839 CG1 ILE A 89 3.395 0.772 -6.613 1.00 0.37 C ATOM 840 CG2 ILE A 89 2.557 -0.080 -4.408 1.00 0.34 C ATOM 841 CD1 ILE A 89 2.045 0.923 -7.282 1.00 0.89 C ATOM 0 H ILE A 89 4.460 3.144 -5.848 1.00 0.28 H new ATOM 0 HA ILE A 89 1.838 2.516 -5.218 1.00 0.30 H new ATOM 0 HB ILE A 89 4.399 0.955 -4.729 1.00 0.31 H new ATOM 0 HG12 ILE A 89 4.094 1.473 -7.069 1.00 0.37 H new ATOM 0 HG13 ILE A 89 3.775 -0.230 -6.809 1.00 0.37 H new ATOM 0 HG21 ILE A 89 2.965 -1.059 -4.661 1.00 0.34 H new ATOM 0 HG22 ILE A 89 2.600 0.063 -3.328 1.00 0.34 H new ATOM 0 HG23 ILE A 89 1.521 -0.022 -4.740 1.00 0.34 H new ATOM 0 HD11 ILE A 89 2.147 0.741 -8.352 1.00 0.89 H new ATOM 0 HD12 ILE A 89 1.346 0.203 -6.857 1.00 0.89 H new ATOM 0 HD13 ILE A 89 1.669 1.933 -7.120 1.00 0.89 H new ATOM 853 N TRP A 90 3.865 2.753 -2.600 1.00 0.25 N ATOM 854 CA TRP A 90 3.901 2.892 -1.150 1.00 0.25 C ATOM 855 C TRP A 90 3.196 4.176 -0.721 1.00 0.28 C ATOM 856 O TRP A 90 2.443 4.185 0.249 1.00 0.33 O ATOM 857 CB TRP A 90 5.346 2.899 -0.635 1.00 0.22 C ATOM 858 CG TRP A 90 5.447 2.924 0.866 1.00 0.22 C ATOM 859 CD1 TRP A 90 5.205 3.987 1.691 1.00 0.25 C ATOM 860 CD2 TRP A 90 5.826 1.836 1.717 1.00 0.24 C ATOM 861 NE1 TRP A 90 5.391 3.619 3.000 1.00 0.27 N ATOM 862 CE2 TRP A 90 5.769 2.304 3.042 1.00 0.27 C ATOM 863 CE3 TRP A 90 6.192 0.505 1.487 1.00 0.29 C ATOM 864 CZ2 TRP A 90 6.075 1.493 4.130 1.00 0.31 C ATOM 865 CZ3 TRP A 90 6.495 -0.297 2.568 1.00 0.35 C ATOM 866 CH2 TRP A 90 6.428 0.196 3.875 1.00 0.35 C ATOM 0 H TRP A 90 4.776 2.821 -3.054 1.00 0.25 H new ATOM 0 HA TRP A 90 3.382 2.036 -0.719 1.00 0.25 H new ATOM 0 HB2 TRP A 90 5.862 2.016 -1.011 1.00 0.22 H new ATOM 0 HB3 TRP A 90 5.864 3.768 -1.041 1.00 0.22 H new ATOM 0 HD1 TRP A 90 4.911 4.972 1.361 1.00 0.25 H new ATOM 0 HE1 TRP A 90 5.268 4.227 3.810 1.00 0.27 H new ATOM 0 HE3 TRP A 90 6.236 0.113 0.482 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 6.035 1.874 5.140 1.00 0.31 H new ATOM 0 HZ3 TRP A 90 6.789 -1.323 2.402 1.00 0.35 H new ATOM 0 HH2 TRP A 90 6.660 -0.461 4.700 1.00 0.35 H new ATOM 877 N LYS A 91 3.430 5.249 -1.466 1.00 0.30 N ATOM 878 CA LYS A 91 2.894 6.558 -1.116 1.00 0.37 C ATOM 879 C LYS A 91 1.361 6.564 -1.186 1.00 0.37 C ATOM 880 O LYS A 91 0.704 7.404 -0.565 1.00 0.43 O ATOM 881 CB LYS A 91 3.492 7.620 -2.045 1.00 0.45 C ATOM 882 CG LYS A 91 3.202 9.052 -1.623 1.00 0.62 C ATOM 883 CD LYS A 91 3.756 9.373 -0.239 1.00 1.19 C ATOM 884 CE LYS A 91 5.276 9.333 -0.201 1.00 1.38 C ATOM 885 NZ LYS A 91 5.898 10.384 -1.049 1.00 1.16 N ATOM 0 H LYS A 91 3.989 5.238 -2.319 1.00 0.30 H new ATOM 0 HA LYS A 91 3.172 6.790 -0.088 1.00 0.37 H new ATOM 0 HB2 LYS A 91 4.572 7.479 -2.092 1.00 0.45 H new ATOM 0 HB3 LYS A 91 3.106 7.465 -3.052 1.00 0.45 H new ATOM 0 HG2 LYS A 91 3.634 9.737 -2.352 1.00 0.62 H new ATOM 0 HG3 LYS A 91 2.125 9.218 -1.628 1.00 0.62 H new ATOM 0 HD2 LYS A 91 3.413 10.362 0.067 1.00 1.19 H new ATOM 0 HD3 LYS A 91 3.358 8.660 0.483 1.00 1.19 H new ATOM 0 HE2 LYS A 91 5.613 9.455 0.828 1.00 1.38 H new ATOM 0 HE3 LYS A 91 5.618 8.353 -0.534 1.00 1.38 H new ATOM 0 HZ1 LYS A 91 6.788 10.699 -0.614 1.00 1.16 H new ATOM 0 HZ2 LYS A 91 6.093 9.997 -1.995 1.00 1.16 H new ATOM 0 HZ3 LYS A 91 5.249 11.192 -1.133 1.00 1.16 H new ATOM 899 N LEU A 92 0.802 5.634 -1.953 1.00 0.34 N ATOM 900 CA LEU A 92 -0.647 5.455 -2.025 1.00 0.37 C ATOM 901 C LEU A 92 -1.120 4.398 -1.024 1.00 0.35 C ATOM 902 O LEU A 92 -2.142 4.574 -0.365 1.00 0.37 O ATOM 903 CB LEU A 92 -1.071 5.049 -3.442 1.00 0.43 C ATOM 904 CG LEU A 92 -1.346 6.206 -4.416 1.00 0.59 C ATOM 905 CD1 LEU A 92 -2.403 7.144 -3.858 1.00 1.53 C ATOM 906 CD2 LEU A 92 -0.073 6.977 -4.738 1.00 1.21 C ATOM 0 H LEU A 92 1.333 4.988 -2.538 1.00 0.34 H new ATOM 0 HA LEU A 92 -1.111 6.408 -1.772 1.00 0.37 H new ATOM 0 HB2 LEU A 92 -0.290 4.419 -3.868 1.00 0.43 H new ATOM 0 HB3 LEU A 92 -1.971 4.438 -3.370 1.00 0.43 H new ATOM 0 HG LEU A 92 -1.721 5.771 -5.342 1.00 0.59 H new ATOM 0 HD11 LEU A 92 -2.580 7.954 -4.565 1.00 1.53 H new ATOM 0 HD12 LEU A 92 -3.330 6.593 -3.697 1.00 1.53 H new ATOM 0 HD13 LEU A 92 -2.058 7.558 -2.911 1.00 1.53 H new ATOM 0 HD21 LEU A 92 -0.304 7.788 -5.429 1.00 1.21 H new ATOM 0 HD22 LEU A 92 0.344 7.390 -3.820 1.00 1.21 H new ATOM 0 HD23 LEU A 92 0.653 6.305 -5.196 1.00 1.21 H new ATOM 918 N ALA A 93 -0.367 3.304 -0.912 1.00 0.35 N ATOM 919 CA ALA A 93 -0.739 2.189 -0.043 1.00 0.39 C ATOM 920 C ALA A 93 -0.694 2.583 1.426 1.00 0.35 C ATOM 921 O ALA A 93 -1.573 2.207 2.206 1.00 0.40 O ATOM 922 CB ALA A 93 0.172 0.992 -0.293 1.00 0.43 C ATOM 0 H ALA A 93 0.509 3.166 -1.416 1.00 0.35 H new ATOM 0 HA ALA A 93 -1.766 1.913 -0.284 1.00 0.39 H new ATOM 0 HB1 ALA A 93 -0.118 0.171 0.362 1.00 0.43 H new ATOM 0 HB2 ALA A 93 0.081 0.677 -1.332 1.00 0.43 H new ATOM 0 HB3 ALA A 93 1.205 1.272 -0.088 1.00 0.43 H new ATOM 928 N ASP A 94 0.325 3.340 1.807 1.00 0.30 N ATOM 929 CA ASP A 94 0.465 3.767 3.193 1.00 0.32 C ATOM 930 C ASP A 94 -0.387 5.007 3.428 1.00 0.35 C ATOM 931 O ASP A 94 0.116 6.129 3.477 1.00 0.46 O ATOM 932 CB ASP A 94 1.938 4.043 3.550 1.00 0.35 C ATOM 933 CG ASP A 94 2.150 4.299 5.036 1.00 0.42 C ATOM 934 OD1 ASP A 94 1.333 3.815 5.852 1.00 0.59 O ATOM 935 OD2 ASP A 94 3.139 4.967 5.402 1.00 0.56 O ATOM 0 H ASP A 94 1.061 3.669 1.183 1.00 0.30 H new ATOM 0 HA ASP A 94 0.120 2.962 3.842 1.00 0.32 H new ATOM 0 HB2 ASP A 94 2.547 3.192 3.243 1.00 0.35 H new ATOM 0 HB3 ASP A 94 2.288 4.906 2.984 1.00 0.35 H new ATOM 940 N VAL A 95 -1.695 4.789 3.528 1.00 0.42 N ATOM 941 CA VAL A 95 -2.662 5.873 3.672 1.00 0.51 C ATOM 942 C VAL A 95 -2.513 6.562 5.025 1.00 0.59 C ATOM 943 O VAL A 95 -2.698 7.776 5.151 1.00 0.74 O ATOM 944 CB VAL A 95 -4.108 5.341 3.550 1.00 0.60 C ATOM 945 CG1 VAL A 95 -5.091 6.484 3.344 1.00 1.15 C ATOM 946 CG2 VAL A 95 -4.225 4.311 2.433 1.00 1.49 C ATOM 0 H VAL A 95 -2.114 3.859 3.512 1.00 0.42 H new ATOM 0 HA VAL A 95 -2.464 6.588 2.873 1.00 0.51 H new ATOM 0 HB VAL A 95 -4.360 4.843 4.486 1.00 0.60 H new ATOM 0 HG11 VAL A 95 -6.102 6.084 3.261 1.00 1.15 H new ATOM 0 HG12 VAL A 95 -5.039 7.166 4.193 1.00 1.15 H new ATOM 0 HG13 VAL A 95 -4.837 7.022 2.430 1.00 1.15 H new ATOM 0 HG21 VAL A 95 -5.254 3.956 2.372 1.00 1.49 H new ATOM 0 HG22 VAL A 95 -3.942 4.769 1.485 1.00 1.49 H new ATOM 0 HG23 VAL A 95 -3.563 3.471 2.642 1.00 1.49 H new ATOM 956 N ASP A 96 -2.171 5.771 6.031 1.00 0.59 N ATOM 957 CA ASP A 96 -2.077 6.254 7.400 1.00 0.69 C ATOM 958 C ASP A 96 -0.737 6.926 7.674 1.00 0.53 C ATOM 959 O ASP A 96 -0.595 7.649 8.661 1.00 0.57 O ATOM 960 CB ASP A 96 -2.316 5.104 8.382 1.00 0.88 C ATOM 961 CG ASP A 96 -1.665 3.808 7.938 1.00 0.93 C ATOM 962 OD1 ASP A 96 -0.420 3.752 7.842 1.00 1.02 O ATOM 963 OD2 ASP A 96 -2.399 2.843 7.657 1.00 1.45 O ATOM 0 H ASP A 96 -1.952 4.781 5.922 1.00 0.59 H new ATOM 0 HA ASP A 96 -2.851 7.009 7.541 1.00 0.69 H new ATOM 0 HB2 ASP A 96 -1.929 5.383 9.362 1.00 0.88 H new ATOM 0 HB3 ASP A 96 -3.389 4.946 8.496 1.00 0.88 H new ATOM 968 N LYS A 97 0.229 6.698 6.783 1.00 0.43 N ATOM 969 CA LYS A 97 1.545 7.335 6.868 1.00 0.47 C ATOM 970 C LYS A 97 2.262 6.972 8.162 1.00 0.49 C ATOM 971 O LYS A 97 2.398 7.798 9.064 1.00 0.66 O ATOM 972 CB LYS A 97 1.425 8.858 6.749 1.00 0.63 C ATOM 973 CG LYS A 97 0.758 9.318 5.470 1.00 0.67 C ATOM 974 CD LYS A 97 1.568 8.937 4.245 1.00 1.18 C ATOM 975 CE LYS A 97 0.808 9.231 2.964 1.00 1.77 C ATOM 976 NZ LYS A 97 0.397 10.656 2.871 1.00 2.67 N ATOM 0 H LYS A 97 0.123 6.070 5.986 1.00 0.43 H new ATOM 0 HA LYS A 97 2.137 6.960 6.033 1.00 0.47 H new ATOM 0 HB2 LYS A 97 0.859 9.237 7.600 1.00 0.63 H new ATOM 0 HB3 LYS A 97 2.421 9.298 6.808 1.00 0.63 H new ATOM 0 HG2 LYS A 97 -0.237 8.878 5.400 1.00 0.67 H new ATOM 0 HG3 LYS A 97 0.626 10.400 5.497 1.00 0.67 H new ATOM 0 HD2 LYS A 97 2.510 9.486 4.245 1.00 1.18 H new ATOM 0 HD3 LYS A 97 1.817 7.877 4.287 1.00 1.18 H new ATOM 0 HE2 LYS A 97 1.432 8.978 2.107 1.00 1.77 H new ATOM 0 HE3 LYS A 97 -0.076 8.595 2.914 1.00 1.77 H new ATOM 0 HZ1 LYS A 97 0.003 10.843 1.927 1.00 2.67 H new ATOM 0 HZ2 LYS A 97 -0.324 10.857 3.593 1.00 2.67 H new ATOM 0 HZ3 LYS A 97 1.224 11.267 3.028 1.00 2.67 H new ATOM 990 N ASP A 98 2.723 5.736 8.242 1.00 0.46 N ATOM 991 CA ASP A 98 3.392 5.246 9.439 1.00 0.51 C ATOM 992 C ASP A 98 4.727 4.593 9.100 1.00 0.43 C ATOM 993 O ASP A 98 5.549 4.359 9.987 1.00 0.49 O ATOM 994 CB ASP A 98 2.499 4.261 10.210 1.00 0.65 C ATOM 995 CG ASP A 98 1.995 3.099 9.371 1.00 0.56 C ATOM 996 OD1 ASP A 98 2.356 3.016 8.192 1.00 0.70 O ATOM 997 OD2 ASP A 98 1.263 2.231 9.891 1.00 1.13 O ATOM 0 H ASP A 98 2.647 5.050 7.491 1.00 0.46 H new ATOM 0 HA ASP A 98 3.586 6.108 10.077 1.00 0.51 H new ATOM 0 HB2 ASP A 98 3.058 3.868 11.059 1.00 0.65 H new ATOM 0 HB3 ASP A 98 1.644 4.802 10.615 1.00 0.65 H new ATOM 1002 N GLY A 99 4.945 4.297 7.821 1.00 0.40 N ATOM 1003 CA GLY A 99 6.196 3.682 7.413 1.00 0.43 C ATOM 1004 C GLY A 99 6.161 2.172 7.540 1.00 0.35 C ATOM 1005 O GLY A 99 7.165 1.497 7.316 1.00 0.40 O ATOM 0 H GLY A 99 4.283 4.471 7.065 1.00 0.40 H new ATOM 0 HA2 GLY A 99 6.412 3.953 6.379 1.00 0.43 H new ATOM 0 HA3 GLY A 99 7.009 4.077 8.022 1.00 0.43 H new ATOM 1009 N LEU A 100 5.002 1.644 7.905 1.00 0.33 N ATOM 1010 CA LEU A 100 4.828 0.211 8.081 1.00 0.30 C ATOM 1011 C LEU A 100 3.629 -0.255 7.276 1.00 0.31 C ATOM 1012 O LEU A 100 2.776 0.553 6.915 1.00 0.40 O ATOM 1013 CB LEU A 100 4.607 -0.131 9.557 1.00 0.30 C ATOM 1014 CG LEU A 100 5.681 0.371 10.523 1.00 0.33 C ATOM 1015 CD1 LEU A 100 5.297 0.047 11.957 1.00 0.45 C ATOM 1016 CD2 LEU A 100 7.035 -0.236 10.189 1.00 0.39 C ATOM 0 H LEU A 100 4.162 2.193 8.086 1.00 0.33 H new ATOM 0 HA LEU A 100 5.730 -0.293 7.735 1.00 0.30 H new ATOM 0 HB2 LEU A 100 3.646 0.280 9.866 1.00 0.30 H new ATOM 0 HB3 LEU A 100 4.536 -1.214 9.653 1.00 0.30 H new ATOM 0 HG LEU A 100 5.756 1.453 10.417 1.00 0.33 H new ATOM 0 HD11 LEU A 100 6.072 0.411 12.632 1.00 0.45 H new ATOM 0 HD12 LEU A 100 4.350 0.530 12.198 1.00 0.45 H new ATOM 0 HD13 LEU A 100 5.194 -1.032 12.071 1.00 0.45 H new ATOM 0 HD21 LEU A 100 7.783 0.136 10.889 1.00 0.39 H new ATOM 0 HD22 LEU A 100 6.975 -1.322 10.264 1.00 0.39 H new ATOM 0 HD23 LEU A 100 7.318 0.043 9.174 1.00 0.39 H new ATOM 1028 N LEU A 101 3.558 -1.545 6.999 1.00 0.30 N ATOM 1029 CA LEU A 101 2.427 -2.093 6.275 1.00 0.33 C ATOM 1030 C LEU A 101 1.777 -3.212 7.069 1.00 0.29 C ATOM 1031 O LEU A 101 2.419 -4.213 7.390 1.00 0.27 O ATOM 1032 CB LEU A 101 2.843 -2.634 4.902 1.00 0.43 C ATOM 1033 CG LEU A 101 3.452 -1.621 3.922 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.653 -2.269 2.562 1.00 0.71 C ATOM 1035 CD2 LEU A 101 2.579 -0.384 3.786 1.00 0.43 C ATOM 0 H LEU A 101 4.267 -2.229 7.263 1.00 0.30 H new ATOM 0 HA LEU A 101 1.716 -1.280 6.130 1.00 0.33 H new ATOM 0 HB2 LEU A 101 3.565 -3.436 5.056 1.00 0.43 H new ATOM 0 HB3 LEU A 101 1.967 -3.080 4.431 1.00 0.43 H new ATOM 0 HG LEU A 101 4.417 -1.308 4.320 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.085 -1.543 1.873 1.00 0.71 H new ATOM 0 HD12 LEU A 101 4.326 -3.121 2.661 1.00 0.71 H new ATOM 0 HD13 LEU A 101 2.692 -2.608 2.175 1.00 0.71 H new ATOM 0 HD21 LEU A 101 3.040 0.312 3.085 1.00 0.43 H new ATOM 0 HD22 LEU A 101 1.595 -0.672 3.417 1.00 0.43 H new ATOM 0 HD23 LEU A 101 2.475 0.097 4.759 1.00 0.43 H new ATOM 1047 N ASP A 102 0.520 -3.025 7.426 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.282 -4.125 7.947 1.00 0.35 C ATOM 1049 C ASP A 102 -0.839 -4.929 6.782 1.00 0.31 C ATOM 1050 O ASP A 102 -0.506 -4.660 5.627 1.00 0.28 O ATOM 1051 CB ASP A 102 -1.410 -3.638 8.869 1.00 0.49 C ATOM 1052 CG ASP A 102 -2.337 -2.625 8.223 1.00 0.75 C ATOM 1053 OD1 ASP A 102 -2.747 -2.860 7.069 1.00 1.01 O ATOM 1054 OD2 ASP A 102 -2.650 -1.602 8.856 1.00 1.42 O ATOM 0 H ASP A 102 0.032 -2.131 7.367 1.00 0.33 H new ATOM 0 HA ASP A 102 0.361 -4.759 8.558 1.00 0.35 H new ATOM 0 HB2 ASP A 102 -1.997 -4.497 9.194 1.00 0.49 H new ATOM 0 HB3 ASP A 102 -0.970 -3.195 9.763 1.00 0.49 H new ATOM 1059 N ASP A 103 -1.676 -5.916 7.076 1.00 0.36 N ATOM 1060 CA ASP A 103 -2.204 -6.807 6.043 1.00 0.37 C ATOM 1061 C ASP A 103 -3.027 -6.029 5.011 1.00 0.34 C ATOM 1062 O ASP A 103 -3.053 -6.385 3.829 1.00 0.36 O ATOM 1063 CB ASP A 103 -3.046 -7.922 6.673 1.00 0.49 C ATOM 1064 CG ASP A 103 -4.324 -7.414 7.316 1.00 0.72 C ATOM 1065 OD1 ASP A 103 -4.234 -6.709 8.347 1.00 1.73 O ATOM 1066 OD2 ASP A 103 -5.416 -7.721 6.798 1.00 0.92 O ATOM 0 H ASP A 103 -2.005 -6.122 8.019 1.00 0.36 H new ATOM 0 HA ASP A 103 -1.359 -7.261 5.526 1.00 0.37 H new ATOM 0 HB2 ASP A 103 -3.299 -8.655 5.907 1.00 0.49 H new ATOM 0 HB3 ASP A 103 -2.449 -8.439 7.424 1.00 0.49 H new ATOM 1071 N GLU A 104 -3.670 -4.956 5.455 1.00 0.33 N ATOM 1072 CA GLU A 104 -4.461 -4.108 4.572 1.00 0.37 C ATOM 1073 C GLU A 104 -3.544 -3.297 3.660 1.00 0.29 C ATOM 1074 O GLU A 104 -3.632 -3.393 2.435 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.348 -3.179 5.407 1.00 0.50 C ATOM 1076 CG GLU A 104 -6.007 -2.055 4.621 1.00 0.89 C ATOM 1077 CD GLU A 104 -6.372 -0.872 5.501 1.00 1.08 C ATOM 1078 OE1 GLU A 104 -7.213 -1.041 6.408 1.00 1.53 O ATOM 1079 OE2 GLU A 104 -5.832 0.236 5.285 1.00 1.50 O ATOM 0 H GLU A 104 -3.659 -4.651 6.428 1.00 0.33 H new ATOM 0 HA GLU A 104 -5.098 -4.735 3.948 1.00 0.37 H new ATOM 0 HB2 GLU A 104 -6.126 -3.774 5.885 1.00 0.50 H new ATOM 0 HB3 GLU A 104 -4.745 -2.743 6.204 1.00 0.50 H new ATOM 0 HG2 GLU A 104 -5.333 -1.723 3.832 1.00 0.89 H new ATOM 0 HG3 GLU A 104 -6.906 -2.434 4.134 1.00 0.89 H new ATOM 1086 N GLU A 105 -2.651 -2.521 4.269 1.00 0.27 N ATOM 1087 CA GLU A 105 -1.719 -1.676 3.526 1.00 0.26 C ATOM 1088 C GLU A 105 -0.897 -2.502 2.540 1.00 0.22 C ATOM 1089 O GLU A 105 -0.715 -2.116 1.385 1.00 0.22 O ATOM 1090 CB GLU A 105 -0.770 -0.963 4.485 1.00 0.36 C ATOM 1091 CG GLU A 105 -1.455 -0.176 5.586 1.00 0.75 C ATOM 1092 CD GLU A 105 -0.457 0.379 6.577 1.00 0.69 C ATOM 1093 OE1 GLU A 105 0.036 1.510 6.371 1.00 0.82 O ATOM 1094 OE2 GLU A 105 -0.135 -0.319 7.556 1.00 0.76 O ATOM 0 H GLU A 105 -2.553 -2.460 5.282 1.00 0.27 H new ATOM 0 HA GLU A 105 -2.307 -0.943 2.974 1.00 0.26 H new ATOM 0 HB2 GLU A 105 -0.112 -1.703 4.941 1.00 0.36 H new ATOM 0 HB3 GLU A 105 -0.138 -0.285 3.912 1.00 0.36 H new ATOM 0 HG2 GLU A 105 -2.027 0.642 5.148 1.00 0.75 H new ATOM 0 HG3 GLU A 105 -2.166 -0.819 6.106 1.00 0.75 H new ATOM 1101 N PHE A 106 -0.407 -3.642 3.007 1.00 0.24 N ATOM 1102 CA PHE A 106 0.444 -4.506 2.201 1.00 0.26 C ATOM 1103 C PHE A 106 -0.334 -5.104 1.037 1.00 0.29 C ATOM 1104 O PHE A 106 0.191 -5.234 -0.070 1.00 0.31 O ATOM 1105 CB PHE A 106 1.039 -5.612 3.073 1.00 0.28 C ATOM 1106 CG PHE A 106 1.987 -6.529 2.350 1.00 0.26 C ATOM 1107 CD1 PHE A 106 3.179 -6.044 1.838 1.00 0.26 C ATOM 1108 CD2 PHE A 106 1.682 -7.869 2.173 1.00 0.35 C ATOM 1109 CE1 PHE A 106 4.048 -6.877 1.162 1.00 0.26 C ATOM 1110 CE2 PHE A 106 2.549 -8.706 1.500 1.00 0.37 C ATOM 1111 CZ PHE A 106 3.742 -8.236 1.043 1.00 0.28 C ATOM 0 H PHE A 106 -0.586 -3.992 3.948 1.00 0.24 H new ATOM 0 HA PHE A 106 1.255 -3.906 1.788 1.00 0.26 H new ATOM 0 HB2 PHE A 106 1.564 -5.154 3.912 1.00 0.28 H new ATOM 0 HB3 PHE A 106 0.226 -6.206 3.491 1.00 0.28 H new ATOM 0 HD1 PHE A 106 3.432 -5.002 1.969 1.00 0.26 H new ATOM 0 HD2 PHE A 106 0.756 -8.263 2.566 1.00 0.35 H new ATOM 0 HE1 PHE A 106 4.956 -6.483 0.729 1.00 0.26 H new ATOM 0 HE2 PHE A 106 2.280 -9.739 1.335 1.00 0.37 H new ATOM 0 HZ PHE A 106 4.451 -8.912 0.589 1.00 0.28 H new ATOM 1121 N ALA A 107 -1.586 -5.458 1.282 1.00 0.35 N ATOM 1122 CA ALA A 107 -2.432 -5.992 0.227 1.00 0.41 C ATOM 1123 C ALA A 107 -2.735 -4.922 -0.810 1.00 0.38 C ATOM 1124 O ALA A 107 -2.751 -5.196 -2.011 1.00 0.40 O ATOM 1125 CB ALA A 107 -3.714 -6.559 0.803 1.00 0.50 C ATOM 0 H ALA A 107 -2.036 -5.386 2.195 1.00 0.35 H new ATOM 0 HA ALA A 107 -1.894 -6.802 -0.265 1.00 0.41 H new ATOM 0 HB1 ALA A 107 -4.332 -6.953 -0.004 1.00 0.50 H new ATOM 0 HB2 ALA A 107 -3.475 -7.360 1.502 1.00 0.50 H new ATOM 0 HB3 ALA A 107 -4.258 -5.772 1.325 1.00 0.50 H new ATOM 1131 N LEU A 108 -2.962 -3.697 -0.348 1.00 0.34 N ATOM 1132 CA LEU A 108 -3.142 -2.570 -1.254 1.00 0.34 C ATOM 1133 C LEU A 108 -1.892 -2.385 -2.112 1.00 0.27 C ATOM 1134 O LEU A 108 -1.990 -2.182 -3.324 1.00 0.27 O ATOM 1135 CB LEU A 108 -3.452 -1.279 -0.479 1.00 0.40 C ATOM 1136 CG LEU A 108 -4.936 -0.931 -0.316 1.00 0.61 C ATOM 1137 CD1 LEU A 108 -5.578 -0.706 -1.675 1.00 1.23 C ATOM 1138 CD2 LEU A 108 -5.676 -2.014 0.449 1.00 1.32 C ATOM 0 H LEU A 108 -3.025 -3.461 0.642 1.00 0.34 H new ATOM 0 HA LEU A 108 -3.992 -2.785 -1.902 1.00 0.34 H new ATOM 0 HB2 LEU A 108 -3.007 -1.359 0.513 1.00 0.40 H new ATOM 0 HB3 LEU A 108 -2.958 -0.449 -0.984 1.00 0.40 H new ATOM 0 HG LEU A 108 -5.004 -0.009 0.262 1.00 0.61 H new ATOM 0 HD11 LEU A 108 -6.632 -0.460 -1.543 1.00 1.23 H new ATOM 0 HD12 LEU A 108 -5.074 0.116 -2.184 1.00 1.23 H new ATOM 0 HD13 LEU A 108 -5.489 -1.612 -2.274 1.00 1.23 H new ATOM 0 HD21 LEU A 108 -6.726 -1.737 0.548 1.00 1.32 H new ATOM 0 HD22 LEU A 108 -5.599 -2.958 -0.090 1.00 1.32 H new ATOM 0 HD23 LEU A 108 -5.235 -2.125 1.440 1.00 1.32 H new ATOM 1150 N ALA A 109 -0.722 -2.477 -1.472 1.00 0.23 N ATOM 1151 CA ALA A 109 0.562 -2.387 -2.168 1.00 0.24 C ATOM 1152 C ALA A 109 0.631 -3.381 -3.321 1.00 0.26 C ATOM 1153 O ALA A 109 0.789 -2.995 -4.480 1.00 0.26 O ATOM 1154 CB ALA A 109 1.718 -2.631 -1.196 1.00 0.26 C ATOM 0 H ALA A 109 -0.640 -2.615 -0.465 1.00 0.23 H new ATOM 0 HA ALA A 109 0.650 -1.380 -2.576 1.00 0.24 H new ATOM 0 HB1 ALA A 109 2.665 -2.560 -1.731 1.00 0.26 H new ATOM 0 HB2 ALA A 109 1.692 -1.882 -0.404 1.00 0.26 H new ATOM 0 HB3 ALA A 109 1.622 -3.625 -0.759 1.00 0.26 H new ATOM 1160 N ASN A 110 0.462 -4.659 -3.005 1.00 0.31 N ATOM 1161 CA ASN A 110 0.616 -5.713 -3.999 1.00 0.37 C ATOM 1162 C ASN A 110 -0.479 -5.643 -5.054 1.00 0.35 C ATOM 1163 O ASN A 110 -0.249 -5.961 -6.223 1.00 0.38 O ATOM 1164 CB ASN A 110 0.624 -7.087 -3.337 1.00 0.45 C ATOM 1165 CG ASN A 110 1.896 -7.357 -2.557 1.00 0.52 C ATOM 1166 OD1 ASN A 110 2.961 -6.828 -2.869 1.00 1.36 O ATOM 1167 ND2 ASN A 110 1.792 -8.190 -1.539 1.00 0.83 N ATOM 0 H ASN A 110 0.219 -4.990 -2.071 1.00 0.31 H new ATOM 0 HA ASN A 110 1.575 -5.559 -4.494 1.00 0.37 H new ATOM 0 HB2 ASN A 110 -0.232 -7.167 -2.666 1.00 0.45 H new ATOM 0 HB3 ASN A 110 0.503 -7.854 -4.102 1.00 0.45 H new ATOM 0 HD21 ASN A 110 2.614 -8.416 -0.979 1.00 0.83 H new ATOM 0 HD22 ASN A 110 0.890 -8.608 -1.312 1.00 0.83 H new ATOM 1174 N HIS A 111 -1.673 -5.220 -4.648 1.00 0.35 N ATOM 1175 CA HIS A 111 -2.763 -5.052 -5.596 1.00 0.37 C ATOM 1176 C HIS A 111 -2.416 -3.959 -6.601 1.00 0.31 C ATOM 1177 O HIS A 111 -2.589 -4.145 -7.798 1.00 0.36 O ATOM 1178 CB HIS A 111 -4.085 -4.728 -4.891 1.00 0.48 C ATOM 1179 CG HIS A 111 -5.233 -4.598 -5.850 1.00 0.53 C ATOM 1180 ND1 HIS A 111 -5.923 -5.678 -6.363 1.00 0.60 N ATOM 1181 CD2 HIS A 111 -5.786 -3.501 -6.417 1.00 0.57 C ATOM 1182 CE1 HIS A 111 -6.843 -5.248 -7.207 1.00 0.67 C ATOM 1183 NE2 HIS A 111 -6.782 -3.932 -7.258 1.00 0.66 N ATOM 0 H HIS A 111 -1.906 -4.991 -3.682 1.00 0.35 H new ATOM 0 HA HIS A 111 -2.896 -5.997 -6.122 1.00 0.37 H new ATOM 0 HB2 HIS A 111 -4.308 -5.512 -4.167 1.00 0.48 H new ATOM 0 HB3 HIS A 111 -3.976 -3.799 -4.332 1.00 0.48 H new ATOM 0 HD1 HIS A 111 -5.749 -6.655 -6.127 1.00 0.60 H new ATOM 0 HD2 HIS A 111 -5.497 -2.475 -6.241 1.00 0.57 H new ATOM 0 HE1 HIS A 111 -7.530 -5.870 -7.762 1.00 0.67 H new ATOM 1192 N LEU A 112 -1.906 -2.831 -6.109 1.00 0.25 N ATOM 1193 CA LEU A 112 -1.532 -1.711 -6.974 1.00 0.24 C ATOM 1194 C LEU A 112 -0.446 -2.122 -7.965 1.00 0.25 C ATOM 1195 O LEU A 112 -0.493 -1.746 -9.141 1.00 0.29 O ATOM 1196 CB LEU A 112 -1.053 -0.520 -6.141 1.00 0.25 C ATOM 1197 CG LEU A 112 -2.142 0.213 -5.359 1.00 0.33 C ATOM 1198 CD1 LEU A 112 -1.539 1.309 -4.497 1.00 0.89 C ATOM 1199 CD2 LEU A 112 -3.184 0.793 -6.301 1.00 0.57 C ATOM 0 H LEU A 112 -1.742 -2.668 -5.116 1.00 0.25 H new ATOM 0 HA LEU A 112 -2.419 -1.416 -7.535 1.00 0.24 H new ATOM 0 HB2 LEU A 112 -0.298 -0.871 -5.438 1.00 0.25 H new ATOM 0 HB3 LEU A 112 -0.564 0.193 -6.805 1.00 0.25 H new ATOM 0 HG LEU A 112 -2.633 -0.509 -4.706 1.00 0.33 H new ATOM 0 HD11 LEU A 112 -2.332 1.818 -3.949 1.00 0.89 H new ATOM 0 HD12 LEU A 112 -0.834 0.870 -3.791 1.00 0.89 H new ATOM 0 HD13 LEU A 112 -1.018 2.026 -5.132 1.00 0.89 H new ATOM 0 HD21 LEU A 112 -3.950 1.310 -5.723 1.00 0.57 H new ATOM 0 HD22 LEU A 112 -2.707 1.497 -6.983 1.00 0.57 H new ATOM 0 HD23 LEU A 112 -3.644 -0.012 -6.874 1.00 0.57 H new ATOM 1211 N ILE A 113 0.529 -2.891 -7.487 1.00 0.27 N ATOM 1212 CA ILE A 113 1.583 -3.414 -8.350 1.00 0.34 C ATOM 1213 C ILE A 113 0.981 -4.282 -9.449 1.00 0.37 C ATOM 1214 O ILE A 113 1.339 -4.150 -10.619 1.00 0.43 O ATOM 1215 CB ILE A 113 2.612 -4.238 -7.547 1.00 0.38 C ATOM 1216 CG1 ILE A 113 3.267 -3.365 -6.474 1.00 0.35 C ATOM 1217 CG2 ILE A 113 3.667 -4.835 -8.469 1.00 0.46 C ATOM 1218 CD1 ILE A 113 4.215 -4.122 -5.567 1.00 0.38 C ATOM 0 H ILE A 113 0.611 -3.165 -6.508 1.00 0.27 H new ATOM 0 HA ILE A 113 2.098 -2.563 -8.796 1.00 0.34 H new ATOM 0 HB ILE A 113 2.088 -5.059 -7.057 1.00 0.38 H new ATOM 0 HG12 ILE A 113 3.812 -2.556 -6.960 1.00 0.35 H new ATOM 0 HG13 ILE A 113 2.487 -2.905 -5.867 1.00 0.35 H new ATOM 0 HG21 ILE A 113 4.381 -5.411 -7.880 1.00 0.46 H new ATOM 0 HG22 ILE A 113 3.186 -5.488 -9.197 1.00 0.46 H new ATOM 0 HG23 ILE A 113 4.190 -4.033 -8.990 1.00 0.46 H new ATOM 0 HD11 ILE A 113 4.640 -3.438 -4.833 1.00 0.38 H new ATOM 0 HD12 ILE A 113 3.671 -4.914 -5.052 1.00 0.38 H new ATOM 0 HD13 ILE A 113 5.017 -4.559 -6.162 1.00 0.38 H new ATOM 1230 N LYS A 114 0.050 -5.157 -9.076 1.00 0.36 N ATOM 1231 CA LYS A 114 -0.609 -6.011 -10.055 1.00 0.42 C ATOM 1232 C LYS A 114 -1.437 -5.178 -11.031 1.00 0.36 C ATOM 1233 O LYS A 114 -1.515 -5.506 -12.211 1.00 0.39 O ATOM 1234 CB LYS A 114 -1.490 -7.063 -9.385 1.00 0.52 C ATOM 1235 CG LYS A 114 -2.151 -8.009 -10.378 1.00 0.64 C ATOM 1236 CD LYS A 114 -2.936 -9.106 -9.687 1.00 0.93 C ATOM 1237 CE LYS A 114 -3.723 -9.918 -10.700 1.00 1.55 C ATOM 1238 NZ LYS A 114 -4.506 -11.011 -10.066 1.00 2.07 N ATOM 0 H LYS A 114 -0.261 -5.291 -8.114 1.00 0.36 H new ATOM 0 HA LYS A 114 0.173 -6.531 -10.608 1.00 0.42 H new ATOM 0 HB2 LYS A 114 -0.886 -7.643 -8.687 1.00 0.52 H new ATOM 0 HB3 LYS A 114 -2.262 -6.563 -8.800 1.00 0.52 H new ATOM 0 HG2 LYS A 114 -2.817 -7.443 -11.029 1.00 0.64 H new ATOM 0 HG3 LYS A 114 -1.388 -8.456 -11.015 1.00 0.64 H new ATOM 0 HD2 LYS A 114 -2.256 -9.758 -9.140 1.00 0.93 H new ATOM 0 HD3 LYS A 114 -3.616 -8.669 -8.956 1.00 0.93 H new ATOM 0 HE2 LYS A 114 -4.400 -9.258 -11.243 1.00 1.55 H new ATOM 0 HE3 LYS A 114 -3.037 -10.344 -11.432 1.00 1.55 H new ATOM 0 HZ1 LYS A 114 -5.025 -11.536 -10.798 1.00 2.07 H new ATOM 0 HZ2 LYS A 114 -3.860 -11.657 -9.569 1.00 2.07 H new ATOM 0 HZ3 LYS A 114 -5.181 -10.606 -9.386 1.00 2.07 H new ATOM 1252 N VAL A 115 -2.048 -4.102 -10.538 1.00 0.33 N ATOM 1253 CA VAL A 115 -2.745 -3.154 -11.403 1.00 0.37 C ATOM 1254 C VAL A 115 -1.799 -2.682 -12.501 1.00 0.40 C ATOM 1255 O VAL A 115 -2.162 -2.626 -13.678 1.00 0.43 O ATOM 1256 CB VAL A 115 -3.260 -1.919 -10.618 1.00 0.41 C ATOM 1257 CG1 VAL A 115 -3.942 -0.930 -11.545 1.00 0.50 C ATOM 1258 CG2 VAL A 115 -4.218 -2.323 -9.513 1.00 0.46 C ATOM 0 H VAL A 115 -2.074 -3.866 -9.546 1.00 0.33 H new ATOM 0 HA VAL A 115 -3.607 -3.668 -11.828 1.00 0.37 H new ATOM 0 HB VAL A 115 -2.390 -1.442 -10.167 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -4.293 -0.074 -10.969 1.00 0.50 H new ATOM 0 HG12 VAL A 115 -3.234 -0.592 -12.301 1.00 0.50 H new ATOM 0 HG13 VAL A 115 -4.790 -1.412 -12.032 1.00 0.50 H new ATOM 0 HG21 VAL A 115 -4.559 -1.433 -8.984 1.00 0.46 H new ATOM 0 HG22 VAL A 115 -5.075 -2.839 -9.945 1.00 0.46 H new ATOM 0 HG23 VAL A 115 -3.709 -2.988 -8.815 1.00 0.46 H new ATOM 1268 N LYS A 116 -0.572 -2.372 -12.101 1.00 0.44 N ATOM 1269 CA LYS A 116 0.448 -1.937 -13.036 1.00 0.54 C ATOM 1270 C LYS A 116 0.845 -3.060 -13.989 1.00 0.59 C ATOM 1271 O LYS A 116 0.991 -2.835 -15.187 1.00 0.72 O ATOM 1272 CB LYS A 116 1.686 -1.422 -12.291 1.00 0.60 C ATOM 1273 CG LYS A 116 1.482 -0.077 -11.611 1.00 0.93 C ATOM 1274 CD LYS A 116 0.978 0.995 -12.575 1.00 1.13 C ATOM 1275 CE LYS A 116 1.892 1.180 -13.787 1.00 0.85 C ATOM 1276 NZ LYS A 116 1.463 0.350 -14.950 1.00 1.25 N ATOM 0 H LYS A 116 -0.262 -2.415 -11.130 1.00 0.44 H new ATOM 0 HA LYS A 116 0.025 -1.123 -13.624 1.00 0.54 H new ATOM 0 HB2 LYS A 116 1.978 -2.157 -11.541 1.00 0.60 H new ATOM 0 HB3 LYS A 116 2.514 -1.340 -12.996 1.00 0.60 H new ATOM 0 HG2 LYS A 116 0.769 -0.191 -10.794 1.00 0.93 H new ATOM 0 HG3 LYS A 116 2.423 0.250 -11.169 1.00 0.93 H new ATOM 0 HD2 LYS A 116 -0.022 0.728 -12.917 1.00 1.13 H new ATOM 0 HD3 LYS A 116 0.891 1.943 -12.044 1.00 1.13 H new ATOM 0 HE2 LYS A 116 1.900 2.231 -14.076 1.00 0.85 H new ATOM 0 HE3 LYS A 116 2.914 0.917 -13.513 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 1.886 0.728 -15.821 1.00 1.25 H new ATOM 0 HZ2 LYS A 116 1.777 -0.632 -14.810 1.00 1.25 H new ATOM 0 HZ3 LYS A 116 0.426 0.374 -15.030 1.00 1.25 H new ATOM 1290 N LEU A 117 1.004 -4.264 -13.448 1.00 0.52 N ATOM 1291 CA LEU A 117 1.442 -5.418 -14.231 1.00 0.60 C ATOM 1292 C LEU A 117 0.357 -5.884 -15.202 1.00 0.54 C ATOM 1293 O LEU A 117 0.654 -6.466 -16.245 1.00 0.63 O ATOM 1294 CB LEU A 117 1.832 -6.565 -13.295 1.00 0.66 C ATOM 1295 CG LEU A 117 3.020 -6.281 -12.373 1.00 0.79 C ATOM 1296 CD1 LEU A 117 3.310 -7.481 -11.485 1.00 0.91 C ATOM 1297 CD2 LEU A 117 4.251 -5.913 -13.185 1.00 0.94 C ATOM 0 H LEU A 117 0.835 -4.468 -12.463 1.00 0.52 H new ATOM 0 HA LEU A 117 2.308 -5.114 -14.819 1.00 0.60 H new ATOM 0 HB2 LEU A 117 0.969 -6.820 -12.680 1.00 0.66 H new ATOM 0 HB3 LEU A 117 2.063 -7.442 -13.899 1.00 0.66 H new ATOM 0 HG LEU A 117 2.761 -5.436 -11.735 1.00 0.79 H new ATOM 0 HD11 LEU A 117 4.158 -7.258 -10.837 1.00 0.91 H new ATOM 0 HD12 LEU A 117 2.435 -7.701 -10.874 1.00 0.91 H new ATOM 0 HD13 LEU A 117 3.545 -8.345 -12.106 1.00 0.91 H new ATOM 0 HD21 LEU A 117 5.085 -5.715 -12.512 1.00 0.94 H new ATOM 0 HD22 LEU A 117 4.509 -6.738 -13.849 1.00 0.94 H new ATOM 0 HD23 LEU A 117 4.043 -5.022 -13.777 1.00 0.94 H new ATOM 1309 N GLU A 118 -0.894 -5.628 -14.851 1.00 0.44 N ATOM 1310 CA GLU A 118 -2.022 -5.987 -15.699 1.00 0.46 C ATOM 1311 C GLU A 118 -2.159 -5.032 -16.879 1.00 0.49 C ATOM 1312 O GLU A 118 -2.993 -5.240 -17.759 1.00 0.54 O ATOM 1313 CB GLU A 118 -3.321 -5.968 -14.901 1.00 0.51 C ATOM 1314 CG GLU A 118 -3.589 -7.219 -14.086 1.00 0.63 C ATOM 1315 CD GLU A 118 -4.941 -7.159 -13.404 1.00 0.90 C ATOM 1316 OE1 GLU A 118 -5.934 -6.789 -14.060 1.00 1.17 O ATOM 1317 OE2 GLU A 118 -5.014 -7.509 -12.204 1.00 1.65 O ATOM 0 H GLU A 118 -1.155 -5.170 -13.978 1.00 0.44 H new ATOM 0 HA GLU A 118 -1.832 -6.992 -16.075 1.00 0.46 H new ATOM 0 HB2 GLU A 118 -3.304 -5.110 -14.228 1.00 0.51 H new ATOM 0 HB3 GLU A 118 -4.152 -5.816 -15.590 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -3.546 -8.093 -14.735 1.00 0.63 H new ATOM 0 HG3 GLU A 118 -2.807 -7.340 -13.336 1.00 0.63 H new ATOM 1324 N GLY A 119 -1.360 -3.974 -16.881 1.00 0.55 N ATOM 1325 CA GLY A 119 -1.436 -3.001 -17.949 1.00 0.66 C ATOM 1326 C GLY A 119 -2.318 -1.829 -17.595 1.00 0.63 C ATOM 1327 O GLY A 119 -2.771 -1.097 -18.475 1.00 0.80 O ATOM 0 H GLY A 119 -0.663 -3.773 -16.164 1.00 0.55 H new ATOM 0 HA2 GLY A 119 -0.434 -2.641 -18.182 1.00 0.66 H new ATOM 0 HA3 GLY A 119 -1.819 -3.482 -18.849 1.00 0.66 H new ATOM 1331 N HIS A 120 -2.585 -1.655 -16.310 1.00 0.58 N ATOM 1332 CA HIS A 120 -3.380 -0.525 -15.863 1.00 0.62 C ATOM 1333 C HIS A 120 -2.488 0.458 -15.110 1.00 0.57 C ATOM 1334 O HIS A 120 -1.302 0.194 -14.898 1.00 0.57 O ATOM 1335 CB HIS A 120 -4.532 -0.961 -14.953 1.00 0.66 C ATOM 1336 CG HIS A 120 -5.203 -2.247 -15.332 1.00 0.71 C ATOM 1337 ND1 HIS A 120 -5.837 -2.450 -16.537 1.00 0.94 N ATOM 1338 CD2 HIS A 120 -5.341 -3.403 -14.641 1.00 0.78 C ATOM 1339 CE1 HIS A 120 -6.337 -3.671 -16.568 1.00 1.06 C ATOM 1340 NE2 HIS A 120 -6.048 -4.269 -15.430 1.00 0.95 N ATOM 0 H HIS A 120 -2.266 -2.275 -15.566 1.00 0.58 H new ATOM 0 HA HIS A 120 -3.810 -0.051 -16.746 1.00 0.62 H new ATOM 0 HB2 HIS A 120 -4.152 -1.056 -13.936 1.00 0.66 H new ATOM 0 HB3 HIS A 120 -5.282 -0.170 -14.941 1.00 0.66 H new ATOM 0 HD2 HIS A 120 -4.963 -3.605 -13.650 1.00 0.78 H new ATOM 0 HE1 HIS A 120 -6.890 -4.106 -17.387 1.00 1.06 H new ATOM 0 HE2 HIS A 120 -6.309 -5.222 -15.178 1.00 0.95 H new ATOM 1349 N GLU A 121 -3.055 1.581 -14.703 1.00 0.64 N ATOM 1350 CA GLU A 121 -2.301 2.590 -13.976 1.00 0.69 C ATOM 1351 C GLU A 121 -3.127 3.189 -12.845 1.00 0.65 C ATOM 1352 O GLU A 121 -4.281 3.577 -13.041 1.00 0.72 O ATOM 1353 CB GLU A 121 -1.831 3.689 -14.934 1.00 0.89 C ATOM 1354 CG GLU A 121 -2.902 4.145 -15.911 1.00 1.75 C ATOM 1355 CD GLU A 121 -2.410 5.208 -16.867 1.00 2.84 C ATOM 1356 OE1 GLU A 121 -1.341 5.013 -17.486 1.00 3.29 O ATOM 1357 OE2 GLU A 121 -3.100 6.235 -17.023 1.00 3.60 O ATOM 0 H GLU A 121 -4.034 1.818 -14.863 1.00 0.64 H new ATOM 0 HA GLU A 121 -1.429 2.108 -13.533 1.00 0.69 H new ATOM 0 HB2 GLU A 121 -1.493 4.547 -14.352 1.00 0.89 H new ATOM 0 HB3 GLU A 121 -0.970 3.326 -15.495 1.00 0.89 H new ATOM 0 HG2 GLU A 121 -3.256 3.286 -16.481 1.00 1.75 H new ATOM 0 HG3 GLU A 121 -3.755 4.531 -15.353 1.00 1.75 H new ATOM 1364 N LEU A 122 -2.539 3.244 -11.657 1.00 0.71 N ATOM 1365 CA LEU A 122 -3.168 3.921 -10.535 1.00 0.72 C ATOM 1366 C LEU A 122 -3.057 5.429 -10.730 1.00 0.76 C ATOM 1367 O LEU A 122 -1.966 5.956 -10.939 1.00 0.88 O ATOM 1368 CB LEU A 122 -2.538 3.495 -9.200 1.00 0.80 C ATOM 1369 CG LEU A 122 -1.022 3.297 -9.215 1.00 0.79 C ATOM 1370 CD1 LEU A 122 -0.405 3.796 -7.920 1.00 1.51 C ATOM 1371 CD2 LEU A 122 -0.684 1.826 -9.413 1.00 0.97 C ATOM 0 H LEU A 122 -1.631 2.829 -11.448 1.00 0.71 H new ATOM 0 HA LEU A 122 -4.220 3.638 -10.499 1.00 0.72 H new ATOM 0 HB2 LEU A 122 -2.780 4.247 -8.449 1.00 0.80 H new ATOM 0 HB3 LEU A 122 -3.004 2.563 -8.880 1.00 0.80 H new ATOM 0 HG LEU A 122 -0.611 3.873 -10.044 1.00 0.79 H new ATOM 0 HD11 LEU A 122 0.674 3.646 -7.950 1.00 1.51 H new ATOM 0 HD12 LEU A 122 -0.621 4.858 -7.799 1.00 1.51 H new ATOM 0 HD13 LEU A 122 -0.825 3.243 -7.080 1.00 1.51 H new ATOM 0 HD21 LEU A 122 0.399 1.699 -9.422 1.00 0.97 H new ATOM 0 HD22 LEU A 122 -1.111 1.242 -8.598 1.00 0.97 H new ATOM 0 HD23 LEU A 122 -1.097 1.482 -10.361 1.00 0.97 H new ATOM 1383 N PRO A 123 -4.193 6.138 -10.669 1.00 0.79 N ATOM 1384 CA PRO A 123 -4.269 7.571 -11.005 1.00 0.89 C ATOM 1385 C PRO A 123 -3.739 8.490 -9.905 1.00 0.80 C ATOM 1386 O PRO A 123 -3.959 9.702 -9.946 1.00 0.89 O ATOM 1387 CB PRO A 123 -5.769 7.784 -11.179 1.00 1.01 C ATOM 1388 CG PRO A 123 -6.392 6.811 -10.237 1.00 0.93 C ATOM 1389 CD PRO A 123 -5.508 5.597 -10.268 1.00 0.83 C ATOM 0 HA PRO A 123 -3.658 7.812 -11.875 1.00 0.89 H new ATOM 0 HB2 PRO A 123 -6.056 8.808 -10.940 1.00 1.01 H new ATOM 0 HB3 PRO A 123 -6.080 7.598 -12.207 1.00 1.01 H new ATOM 0 HG2 PRO A 123 -6.455 7.225 -9.231 1.00 0.93 H new ATOM 0 HG3 PRO A 123 -7.408 6.564 -10.544 1.00 0.93 H new ATOM 0 HD2 PRO A 123 -5.461 5.109 -9.294 1.00 0.83 H new ATOM 0 HD3 PRO A 123 -5.870 4.855 -10.979 1.00 0.83 H new ATOM 1397 N ALA A 124 -3.030 7.899 -8.941 1.00 0.67 N ATOM 1398 CA ALA A 124 -2.525 8.616 -7.768 1.00 0.67 C ATOM 1399 C ALA A 124 -3.680 9.090 -6.885 1.00 0.62 C ATOM 1400 O ALA A 124 -3.526 9.985 -6.052 1.00 0.71 O ATOM 1401 CB ALA A 124 -1.637 9.785 -8.177 1.00 0.87 C ATOM 0 H ALA A 124 -2.789 6.908 -8.952 1.00 0.67 H new ATOM 0 HA ALA A 124 -1.915 7.923 -7.188 1.00 0.67 H new ATOM 0 HB1 ALA A 124 -1.277 10.298 -7.285 1.00 0.87 H new ATOM 0 HB2 ALA A 124 -0.787 9.413 -8.750 1.00 0.87 H new ATOM 0 HB3 ALA A 124 -2.211 10.481 -8.789 1.00 0.87 H new ATOM 1407 N ASP A 125 -4.835 8.466 -7.070 1.00 0.57 N ATOM 1408 CA ASP A 125 -6.008 8.749 -6.258 1.00 0.57 C ATOM 1409 C ASP A 125 -6.321 7.546 -5.386 1.00 0.50 C ATOM 1410 O ASP A 125 -6.224 6.408 -5.842 1.00 0.56 O ATOM 1411 CB ASP A 125 -7.244 9.044 -7.125 1.00 0.68 C ATOM 1412 CG ASP A 125 -7.138 10.308 -7.954 1.00 1.13 C ATOM 1413 OD1 ASP A 125 -7.168 11.413 -7.374 1.00 1.35 O ATOM 1414 OD2 ASP A 125 -7.061 10.200 -9.197 1.00 1.94 O ATOM 0 H ASP A 125 -4.984 7.753 -7.784 1.00 0.57 H new ATOM 0 HA ASP A 125 -5.784 9.627 -5.653 1.00 0.57 H new ATOM 0 HB2 ASP A 125 -7.415 8.199 -7.792 1.00 0.68 H new ATOM 0 HB3 ASP A 125 -8.117 9.121 -6.477 1.00 0.68 H new ATOM 1419 N LEU A 126 -6.650 7.793 -4.130 1.00 0.45 N ATOM 1420 CA LEU A 126 -7.215 6.760 -3.277 1.00 0.48 C ATOM 1421 C LEU A 126 -8.726 6.931 -3.174 1.00 0.51 C ATOM 1422 O LEU A 126 -9.217 7.656 -2.307 1.00 0.56 O ATOM 1423 CB LEU A 126 -6.589 6.814 -1.885 1.00 0.54 C ATOM 1424 CG LEU A 126 -5.110 6.444 -1.819 1.00 0.54 C ATOM 1425 CD1 LEU A 126 -4.595 6.614 -0.403 1.00 0.67 C ATOM 1426 CD2 LEU A 126 -4.903 5.013 -2.292 1.00 0.56 C ATOM 0 H LEU A 126 -6.536 8.700 -3.677 1.00 0.45 H new ATOM 0 HA LEU A 126 -6.997 5.789 -3.721 1.00 0.48 H new ATOM 0 HB2 LEU A 126 -6.712 7.822 -1.488 1.00 0.54 H new ATOM 0 HB3 LEU A 126 -7.144 6.143 -1.229 1.00 0.54 H new ATOM 0 HG LEU A 126 -4.550 7.109 -2.477 1.00 0.54 H new ATOM 0 HD11 LEU A 126 -3.539 6.348 -0.366 1.00 0.67 H new ATOM 0 HD12 LEU A 126 -4.719 7.652 -0.093 1.00 0.67 H new ATOM 0 HD13 LEU A 126 -5.157 5.965 0.269 1.00 0.67 H new ATOM 0 HD21 LEU A 126 -3.844 4.762 -2.240 1.00 0.56 H new ATOM 0 HD22 LEU A 126 -5.469 4.334 -1.654 1.00 0.56 H new ATOM 0 HD23 LEU A 126 -5.248 4.916 -3.321 1.00 0.56 H new ATOM 1438 N PRO A 127 -9.488 6.295 -4.080 1.00 0.55 N ATOM 1439 CA PRO A 127 -10.949 6.353 -4.051 1.00 0.61 C ATOM 1440 C PRO A 127 -11.524 5.554 -2.880 1.00 0.50 C ATOM 1441 O PRO A 127 -10.902 4.603 -2.401 1.00 0.46 O ATOM 1442 CB PRO A 127 -11.364 5.726 -5.386 1.00 0.75 C ATOM 1443 CG PRO A 127 -10.227 4.851 -5.768 1.00 0.72 C ATOM 1444 CD PRO A 127 -8.988 5.491 -5.207 1.00 0.63 C ATOM 0 HA PRO A 127 -11.318 7.370 -3.919 1.00 0.61 H new ATOM 0 HB2 PRO A 127 -12.286 5.153 -5.284 1.00 0.75 H new ATOM 0 HB3 PRO A 127 -11.546 6.490 -6.142 1.00 0.75 H new ATOM 0 HG2 PRO A 127 -10.360 3.846 -5.368 1.00 0.72 H new ATOM 0 HG3 PRO A 127 -10.158 4.756 -6.852 1.00 0.72 H new ATOM 0 HD2 PRO A 127 -8.266 4.744 -4.876 1.00 0.63 H new ATOM 0 HD3 PRO A 127 -8.487 6.112 -5.950 1.00 0.63 H new ATOM 1452 N PRO A 128 -12.736 5.917 -2.426 1.00 0.52 N ATOM 1453 CA PRO A 128 -13.389 5.282 -1.267 1.00 0.52 C ATOM 1454 C PRO A 128 -13.699 3.798 -1.476 1.00 0.50 C ATOM 1455 O PRO A 128 -14.069 3.100 -0.536 1.00 0.58 O ATOM 1456 CB PRO A 128 -14.691 6.078 -1.107 1.00 0.66 C ATOM 1457 CG PRO A 128 -14.924 6.713 -2.433 1.00 0.71 C ATOM 1458 CD PRO A 128 -13.562 6.994 -2.995 1.00 0.63 C ATOM 0 HA PRO A 128 -12.739 5.304 -0.392 1.00 0.52 H new ATOM 0 HB2 PRO A 128 -15.520 5.426 -0.831 1.00 0.66 H new ATOM 0 HB3 PRO A 128 -14.600 6.828 -0.321 1.00 0.66 H new ATOM 0 HG2 PRO A 128 -15.489 6.052 -3.090 1.00 0.71 H new ATOM 0 HG3 PRO A 128 -15.502 7.631 -2.331 1.00 0.71 H new ATOM 0 HD2 PRO A 128 -13.563 6.968 -4.085 1.00 0.63 H new ATOM 0 HD3 PRO A 128 -13.200 7.979 -2.700 1.00 0.63 H new ATOM 1466 N HIS A 129 -13.548 3.314 -2.709 1.00 0.50 N ATOM 1467 CA HIS A 129 -13.801 1.904 -3.001 1.00 0.59 C ATOM 1468 C HIS A 129 -12.506 1.095 -2.887 1.00 0.60 C ATOM 1469 O HIS A 129 -12.488 -0.115 -3.120 1.00 0.74 O ATOM 1470 CB HIS A 129 -14.463 1.718 -4.387 1.00 0.71 C ATOM 1471 CG HIS A 129 -13.552 1.847 -5.580 1.00 0.74 C ATOM 1472 ND1 HIS A 129 -13.497 2.969 -6.383 1.00 0.79 N ATOM 1473 CD2 HIS A 129 -12.696 0.956 -6.132 1.00 0.86 C ATOM 1474 CE1 HIS A 129 -12.649 2.756 -7.374 1.00 0.91 C ATOM 1475 NE2 HIS A 129 -12.149 1.542 -7.245 1.00 0.94 N ATOM 0 H HIS A 129 -13.255 3.870 -3.512 1.00 0.50 H new ATOM 0 HA HIS A 129 -14.506 1.527 -2.260 1.00 0.59 H new ATOM 0 HB2 HIS A 129 -14.928 0.733 -4.416 1.00 0.71 H new ATOM 0 HB3 HIS A 129 -15.264 2.451 -4.486 1.00 0.71 H new ATOM 0 HD2 HIS A 129 -12.482 -0.036 -5.763 1.00 0.86 H new ATOM 0 HE1 HIS A 129 -12.406 3.458 -8.158 1.00 0.91 H new ATOM 0 HE2 HIS A 129 -11.468 1.110 -7.870 1.00 0.94 H new ATOM 1484 N LEU A 130 -11.419 1.774 -2.535 1.00 0.50 N ATOM 1485 CA LEU A 130 -10.136 1.112 -2.319 1.00 0.56 C ATOM 1486 C LEU A 130 -9.684 1.280 -0.876 1.00 0.56 C ATOM 1487 O LEU A 130 -9.083 0.378 -0.298 1.00 0.64 O ATOM 1488 CB LEU A 130 -9.067 1.664 -3.265 1.00 0.60 C ATOM 1489 CG LEU A 130 -9.242 1.301 -4.743 1.00 0.71 C ATOM 1490 CD1 LEU A 130 -8.120 1.907 -5.571 1.00 0.79 C ATOM 1491 CD2 LEU A 130 -9.280 -0.208 -4.922 1.00 0.83 C ATOM 0 H LEU A 130 -11.400 2.784 -2.393 1.00 0.50 H new ATOM 0 HA LEU A 130 -10.270 0.051 -2.528 1.00 0.56 H new ATOM 0 HB2 LEU A 130 -9.053 2.750 -3.175 1.00 0.60 H new ATOM 0 HB3 LEU A 130 -8.093 1.304 -2.934 1.00 0.60 H new ATOM 0 HG LEU A 130 -10.191 1.711 -5.090 1.00 0.71 H new ATOM 0 HD11 LEU A 130 -8.257 1.641 -6.619 1.00 0.79 H new ATOM 0 HD12 LEU A 130 -8.136 2.992 -5.467 1.00 0.79 H new ATOM 0 HD13 LEU A 130 -7.162 1.523 -5.221 1.00 0.79 H new ATOM 0 HD21 LEU A 130 -9.405 -0.446 -5.978 1.00 0.83 H new ATOM 0 HD22 LEU A 130 -8.347 -0.641 -4.560 1.00 0.83 H new ATOM 0 HD23 LEU A 130 -10.115 -0.621 -4.356 1.00 0.83 H new ATOM 1503 N VAL A 131 -9.987 2.438 -0.300 1.00 0.58 N ATOM 1504 CA VAL A 131 -9.621 2.722 1.080 1.00 0.65 C ATOM 1505 C VAL A 131 -10.701 2.262 2.049 1.00 0.79 C ATOM 1506 O VAL A 131 -11.864 2.659 1.935 1.00 0.92 O ATOM 1507 CB VAL A 131 -9.364 4.225 1.312 1.00 0.68 C ATOM 1508 CG1 VAL A 131 -9.091 4.500 2.789 1.00 1.44 C ATOM 1509 CG2 VAL A 131 -8.205 4.710 0.453 1.00 1.40 C ATOM 0 H VAL A 131 -10.485 3.195 -0.769 1.00 0.58 H new ATOM 0 HA VAL A 131 -8.700 2.169 1.267 1.00 0.65 H new ATOM 0 HB VAL A 131 -10.259 4.775 1.020 1.00 0.68 H new ATOM 0 HG11 VAL A 131 -8.912 5.565 2.934 1.00 1.44 H new ATOM 0 HG12 VAL A 131 -9.953 4.193 3.382 1.00 1.44 H new ATOM 0 HG13 VAL A 131 -8.213 3.938 3.108 1.00 1.44 H new ATOM 0 HG21 VAL A 131 -8.040 5.773 0.631 1.00 1.40 H new ATOM 0 HG22 VAL A 131 -7.303 4.154 0.711 1.00 1.40 H new ATOM 0 HG23 VAL A 131 -8.441 4.551 -0.599 1.00 1.40 H new ATOM 1746 N TYR B 148 8.301 8.310 5.314 1.00 0.63 N ATOM 1747 CA TYR B 148 7.862 6.982 5.730 1.00 0.45 C ATOM 1748 C TYR B 148 8.062 5.978 4.608 1.00 0.40 C ATOM 1749 O TYR B 148 7.814 4.786 4.769 1.00 0.58 O ATOM 1750 CB TYR B 148 6.383 7.004 6.107 1.00 0.52 C ATOM 1751 CG TYR B 148 5.997 8.128 7.038 1.00 0.55 C ATOM 1752 CD1 TYR B 148 6.077 7.978 8.414 1.00 0.63 C ATOM 1753 CD2 TYR B 148 5.538 9.338 6.534 1.00 0.63 C ATOM 1754 CE1 TYR B 148 5.707 9.004 9.264 1.00 0.72 C ATOM 1755 CE2 TYR B 148 5.171 10.369 7.375 1.00 0.73 C ATOM 1756 CZ TYR B 148 5.254 10.197 8.737 1.00 0.75 C ATOM 1757 OH TYR B 148 4.876 11.222 9.578 1.00 0.89 O ATOM 0 HA TYR B 148 8.459 6.689 6.594 1.00 0.45 H new ATOM 0 HB2 TYR B 148 5.789 7.082 5.196 1.00 0.52 H new ATOM 0 HB3 TYR B 148 6.125 6.054 6.576 1.00 0.52 H new ATOM 0 HD1 TYR B 148 6.433 7.046 8.828 1.00 0.63 H new ATOM 0 HD2 TYR B 148 5.467 9.475 5.465 1.00 0.63 H new ATOM 0 HE1 TYR B 148 5.772 8.873 10.334 1.00 0.72 H new ATOM 0 HE2 TYR B 148 4.821 11.305 6.966 1.00 0.73 H new ATOM 0 HH TYR B 148 4.584 11.991 9.046 1.00 0.89 H new ATOM 1767 N ASN B 149 8.502 6.478 3.466 1.00 0.38 N ATOM 1768 CA ASN B 149 8.640 5.662 2.271 1.00 0.30 C ATOM 1769 C ASN B 149 10.082 5.183 2.128 1.00 0.31 C ATOM 1770 O ASN B 149 10.987 5.981 1.894 1.00 0.36 O ATOM 1771 CB ASN B 149 8.211 6.477 1.041 1.00 0.34 C ATOM 1772 CG ASN B 149 8.052 5.641 -0.219 1.00 0.32 C ATOM 1773 OD1 ASN B 149 8.718 4.629 -0.403 1.00 0.27 O ATOM 1774 ND2 ASN B 149 7.166 6.075 -1.103 1.00 0.43 N ATOM 0 H ASN B 149 8.772 7.454 3.341 1.00 0.38 H new ATOM 0 HA ASN B 149 7.997 4.786 2.352 1.00 0.30 H new ATOM 0 HB2 ASN B 149 7.266 6.976 1.258 1.00 0.34 H new ATOM 0 HB3 ASN B 149 8.949 7.258 0.858 1.00 0.34 H new ATOM 0 HD21 ASN B 149 7.020 5.562 -1.972 1.00 0.43 H new ATOM 0 HD22 ASN B 149 6.630 6.922 -0.914 1.00 0.43 H new ATOM 1781 N PRO B 150 10.309 3.868 2.266 1.00 0.30 N ATOM 1782 CA PRO B 150 11.652 3.275 2.191 1.00 0.34 C ATOM 1783 C PRO B 150 12.229 3.303 0.775 1.00 0.33 C ATOM 1784 O PRO B 150 13.396 2.993 0.561 1.00 0.35 O ATOM 1785 CB PRO B 150 11.427 1.833 2.651 1.00 0.38 C ATOM 1786 CG PRO B 150 10.002 1.551 2.327 1.00 0.51 C ATOM 1787 CD PRO B 150 9.271 2.852 2.510 1.00 0.30 C ATOM 0 HA PRO B 150 12.373 3.824 2.797 1.00 0.34 H new ATOM 0 HB2 PRO B 150 12.095 1.144 2.134 1.00 0.38 H new ATOM 0 HB3 PRO B 150 11.620 1.723 3.718 1.00 0.38 H new ATOM 0 HG2 PRO B 150 9.899 1.186 1.305 1.00 0.51 H new ATOM 0 HG3 PRO B 150 9.598 0.780 2.983 1.00 0.51 H new ATOM 0 HD2 PRO B 150 8.442 2.949 1.809 1.00 0.30 H new ATOM 0 HD3 PRO B 150 8.852 2.939 3.512 1.00 0.30 H new ATOM 1795 N PHE B 151 11.403 3.664 -0.191 1.00 0.32 N ATOM 1796 CA PHE B 151 11.856 3.805 -1.563 1.00 0.35 C ATOM 1797 C PHE B 151 12.166 5.266 -1.837 1.00 0.39 C ATOM 1798 O PHE B 151 12.722 5.620 -2.875 1.00 0.50 O ATOM 1799 CB PHE B 151 10.786 3.307 -2.535 1.00 0.32 C ATOM 1800 CG PHE B 151 10.216 1.968 -2.165 1.00 0.32 C ATOM 1801 CD1 PHE B 151 10.920 0.807 -2.442 1.00 0.40 C ATOM 1802 CD2 PHE B 151 8.983 1.867 -1.547 1.00 0.32 C ATOM 1803 CE1 PHE B 151 10.405 -0.427 -2.110 1.00 0.46 C ATOM 1804 CE2 PHE B 151 8.463 0.633 -1.210 1.00 0.39 C ATOM 1805 CZ PHE B 151 9.154 -0.500 -1.473 1.00 0.45 C ATOM 0 H PHE B 151 10.413 3.865 -0.050 1.00 0.32 H new ATOM 0 HA PHE B 151 12.755 3.205 -1.706 1.00 0.35 H new ATOM 0 HB2 PHE B 151 9.978 4.037 -2.579 1.00 0.32 H new ATOM 0 HB3 PHE B 151 11.215 3.246 -3.535 1.00 0.32 H new ATOM 0 HD1 PHE B 151 11.884 0.870 -2.924 1.00 0.40 H new ATOM 0 HD2 PHE B 151 8.421 2.762 -1.326 1.00 0.32 H new ATOM 0 HE1 PHE B 151 10.956 -1.328 -2.337 1.00 0.46 H new ATOM 0 HE2 PHE B 151 7.496 0.572 -0.732 1.00 0.39 H new ATOM 0 HZ PHE B 151 8.745 -1.460 -1.194 1.00 0.45 H new ATOM 1815 N GLU B 152 11.814 6.104 -0.872 1.00 0.41 N ATOM 1816 CA GLU B 152 11.951 7.544 -1.000 1.00 0.49 C ATOM 1817 C GLU B 152 12.973 8.053 0.020 1.00 0.59 C ATOM 1818 O GLU B 152 12.914 9.198 0.475 1.00 0.76 O ATOM 1819 CB GLU B 152 10.582 8.192 -0.780 1.00 0.60 C ATOM 1820 CG GLU B 152 10.482 9.648 -1.211 1.00 0.62 C ATOM 1821 CD GLU B 152 9.055 10.157 -1.180 1.00 0.74 C ATOM 1822 OE1 GLU B 152 8.408 10.087 -0.114 1.00 1.42 O ATOM 1823 OE2 GLU B 152 8.557 10.610 -2.231 1.00 1.01 O ATOM 0 H GLU B 152 11.425 5.802 0.021 1.00 0.41 H new ATOM 0 HA GLU B 152 12.307 7.806 -1.996 1.00 0.49 H new ATOM 0 HB2 GLU B 152 9.833 7.616 -1.323 1.00 0.60 H new ATOM 0 HB3 GLU B 152 10.331 8.124 0.278 1.00 0.60 H new ATOM 0 HG2 GLU B 152 11.099 10.262 -0.556 1.00 0.62 H new ATOM 0 HG3 GLU B 152 10.882 9.755 -2.219 1.00 0.62 H new