USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 493 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 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 43 HIS : no HD1:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 45 MET CE :methyl -116:sc= -0.654 (180deg=-1.49) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 69 GLN : amide:sc= -4.84! K(o=-4.8!,f=-1.2) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 72 TYR OH : rot -13:sc= 0.539 USER MOD Single : A 73 SER OG : rot 113:sc= 0.899 USER MOD Single : A 86 SER OG : rot 162:sc= 1.21 USER MOD Single : A 90 SER OG : rot 35:sc= 0.344 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N LEU A 13 -5.850 3.671 -0.943 1.00 0.00 N ATOM 149 CA LEU A 13 -4.829 2.650 -1.153 1.00 0.00 C ATOM 150 C LEU A 13 -5.438 1.388 -1.756 1.00 0.00 C ATOM 151 O LEU A 13 -5.970 0.540 -1.040 1.00 0.00 O ATOM 152 CB LEU A 13 -4.136 2.315 0.168 1.00 0.00 C ATOM 153 CG LEU A 13 -2.709 1.776 0.060 1.00 0.00 C ATOM 154 CD1 LEU A 13 -1.925 2.082 1.326 1.00 0.00 C ATOM 155 CD2 LEU A 13 -2.724 0.278 -0.211 1.00 0.00 C ATOM 0 HA LEU A 13 -4.092 3.046 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.118 3.214 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.742 1.579 0.697 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.216 2.272 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.912 1.691 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.885 3.161 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.415 1.614 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.700 -0.089 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.235 -0.234 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.248 0.083 -1.147 1.00 0.00 H new ATOM 167 N VAL A 14 -5.354 1.269 -3.077 1.00 0.00 N ATOM 168 CA VAL A 14 -5.893 0.109 -3.776 1.00 0.00 C ATOM 169 C VAL A 14 -4.861 -1.010 -3.862 1.00 0.00 C ATOM 170 O VAL A 14 -3.916 -0.939 -4.647 1.00 0.00 O ATOM 171 CB VAL A 14 -6.355 0.476 -5.199 1.00 0.00 C ATOM 172 CG1 VAL A 14 -6.858 -0.758 -5.932 1.00 0.00 C ATOM 173 CG2 VAL A 14 -7.430 1.551 -5.149 1.00 0.00 C ATOM 0 H VAL A 14 -4.918 1.962 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.752 -0.236 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.501 0.873 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.180 -0.479 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.056 -1.493 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.699 -1.187 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.745 1.798 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.286 1.184 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.031 2.443 -4.666 1.00 0.00 H new ATOM 183 N VAL A 15 -5.048 -2.044 -3.048 1.00 0.00 N ATOM 184 CA VAL A 15 -4.134 -3.180 -3.032 1.00 0.00 C ATOM 185 C VAL A 15 -4.523 -4.213 -4.084 1.00 0.00 C ATOM 186 O VAL A 15 -5.676 -4.275 -4.509 1.00 0.00 O ATOM 187 CB VAL A 15 -4.105 -3.857 -1.649 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.592 -2.891 -0.592 1.00 0.00 C ATOM 189 CG2 VAL A 15 -5.486 -4.379 -1.282 1.00 0.00 C ATOM 0 H VAL A 15 -5.824 -2.118 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.141 -2.791 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.422 -4.705 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.579 -3.387 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.582 -2.572 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.247 -2.021 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.447 -4.854 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.193 -3.550 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.809 -5.107 -2.026 1.00 0.00 H new ATOM 199 N GLU A 16 -3.553 -5.022 -4.498 1.00 0.00 N ATOM 200 CA GLU A 16 -3.795 -6.053 -5.501 1.00 0.00 C ATOM 201 C GLU A 16 -3.265 -7.404 -5.031 1.00 0.00 C ATOM 202 O GLU A 16 -2.074 -7.575 -4.771 1.00 0.00 O ATOM 203 CB GLU A 16 -3.139 -5.668 -6.828 1.00 0.00 C ATOM 204 CG GLU A 16 -3.542 -6.563 -7.988 1.00 0.00 C ATOM 205 CD GLU A 16 -4.848 -6.135 -8.629 1.00 0.00 C ATOM 206 OE1 GLU A 16 -4.904 -5.008 -9.163 1.00 0.00 O ATOM 207 OE2 GLU A 16 -5.813 -6.927 -8.596 1.00 0.00 O ATOM 0 H GLU A 16 -2.593 -4.984 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.872 -6.136 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.400 -4.637 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.056 -5.703 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.753 -6.554 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.635 -7.590 -7.635 1.00 0.00 H new ATOM 214 N PRO A 17 -4.169 -8.388 -4.918 1.00 0.00 N ATOM 215 CA PRO A 17 -5.590 -8.196 -5.224 1.00 0.00 C ATOM 216 C PRO A 17 -6.288 -7.304 -4.203 1.00 0.00 C ATOM 217 O PRO A 17 -5.687 -6.895 -3.210 1.00 0.00 O ATOM 218 CB PRO A 17 -6.159 -9.616 -5.172 1.00 0.00 C ATOM 219 CG PRO A 17 -5.239 -10.360 -4.268 1.00 0.00 C ATOM 220 CD PRO A 17 -3.875 -9.764 -4.483 1.00 0.00 C ATOM 0 HA PRO A 17 -5.737 -7.698 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.179 -9.620 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.190 -10.067 -6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.549 -10.260 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.241 -11.425 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.282 -9.778 -3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.311 -10.312 -5.238 1.00 0.00 H new ATOM 228 N GLU A 18 -7.559 -7.008 -4.453 1.00 0.00 N ATOM 229 CA GLU A 18 -8.338 -6.165 -3.554 1.00 0.00 C ATOM 230 C GLU A 18 -8.864 -6.971 -2.370 1.00 0.00 C ATOM 231 O GLU A 18 -10.059 -7.247 -2.275 1.00 0.00 O ATOM 232 CB GLU A 18 -9.505 -5.520 -4.305 1.00 0.00 C ATOM 233 CG GLU A 18 -10.373 -4.629 -3.433 1.00 0.00 C ATOM 234 CD GLU A 18 -9.760 -3.261 -3.205 1.00 0.00 C ATOM 235 OE1 GLU A 18 -9.920 -2.385 -4.080 1.00 0.00 O ATOM 236 OE2 GLU A 18 -9.119 -3.067 -2.150 1.00 0.00 O ATOM 0 H GLU A 18 -8.071 -7.339 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.682 -5.381 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.111 -4.931 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.125 -6.305 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.351 -4.512 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.535 -5.115 -2.471 1.00 0.00 H new ATOM 243 N GLY A 19 -7.961 -7.347 -1.469 1.00 0.00 N ATOM 244 CA GLY A 19 -8.352 -8.119 -0.304 1.00 0.00 C ATOM 245 C GLY A 19 -7.282 -8.133 0.768 1.00 0.00 C ATOM 246 O GLY A 19 -7.586 -8.099 1.960 1.00 0.00 O ATOM 0 H GLY A 19 -6.966 -7.131 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.271 -7.705 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.571 -9.143 -0.607 1.00 0.00 H new ATOM 250 N GLY A 20 -6.022 -8.185 0.345 1.00 0.00 N ATOM 251 CA GLY A 20 -4.922 -8.204 1.291 1.00 0.00 C ATOM 252 C GLY A 20 -4.551 -9.610 1.720 1.00 0.00 C ATOM 253 O GLY A 20 -4.092 -9.823 2.842 1.00 0.00 O ATOM 0 H GLY A 20 -5.744 -8.214 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.053 -7.723 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.192 -7.619 2.170 1.00 0.00 H new ATOM 257 N ALA A 21 -4.753 -10.573 0.826 1.00 0.00 N ATOM 258 CA ALA A 21 -4.436 -11.965 1.119 1.00 0.00 C ATOM 259 C ALA A 21 -4.026 -12.712 -0.146 1.00 0.00 C ATOM 260 O ALA A 21 -4.797 -12.806 -1.101 1.00 0.00 O ATOM 261 CB ALA A 21 -5.625 -12.650 1.776 1.00 0.00 C ATOM 0 H ALA A 21 -5.135 -10.414 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.593 -11.982 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.374 -13.689 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.872 -12.138 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.482 -12.614 1.104 1.00 0.00 H new ATOM 267 N VAL A 22 -2.807 -13.243 -0.146 1.00 0.00 N ATOM 268 CA VAL A 22 -2.295 -13.982 -1.293 1.00 0.00 C ATOM 269 C VAL A 22 -1.515 -15.215 -0.849 1.00 0.00 C ATOM 270 O VAL A 22 -1.005 -15.269 0.270 1.00 0.00 O ATOM 271 CB VAL A 22 -1.385 -13.100 -2.168 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.120 -11.843 -2.606 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.107 -12.748 -1.421 1.00 0.00 C ATOM 0 H VAL A 22 -2.156 -13.175 0.636 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.159 -14.294 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.113 -13.662 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.461 -11.233 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.003 -12.120 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.424 -11.274 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.524 -12.124 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.356 -12.205 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.428 -13.662 -1.164 1.00 0.00 H new ATOM 283 N ALA A 23 -1.427 -16.203 -1.733 1.00 0.00 N ATOM 284 CA ALA A 23 -0.707 -17.434 -1.434 1.00 0.00 C ATOM 285 C ALA A 23 0.751 -17.149 -1.093 1.00 0.00 C ATOM 286 O ALA A 23 1.293 -16.090 -1.413 1.00 0.00 O ATOM 287 CB ALA A 23 -0.798 -18.398 -2.608 1.00 0.00 C ATOM 0 H ALA A 23 -1.846 -16.175 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.173 -17.895 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.256 -19.313 -2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.844 -18.636 -2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.360 -17.936 -3.493 1.00 0.00 H new ATOM 293 N PRO A 24 1.404 -18.113 -0.427 1.00 0.00 N ATOM 294 CA PRO A 24 2.809 -17.987 -0.028 1.00 0.00 C ATOM 295 C PRO A 24 3.757 -18.034 -1.222 1.00 0.00 C ATOM 296 O PRO A 24 4.257 -19.096 -1.589 1.00 0.00 O ATOM 297 CB PRO A 24 3.030 -19.201 0.878 1.00 0.00 C ATOM 298 CG PRO A 24 2.016 -20.197 0.431 1.00 0.00 C ATOM 299 CD PRO A 24 0.821 -19.400 -0.013 1.00 0.00 C ATOM 0 HA PRO A 24 3.011 -17.032 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.042 -19.593 0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.894 -18.941 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.402 -20.808 -0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.753 -20.877 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.296 -19.887 -0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.100 -19.273 0.795 1.00 0.00 H new ATOM 307 N GLY A 25 4.001 -16.874 -1.824 1.00 0.00 N ATOM 308 CA GLY A 25 4.889 -16.805 -2.970 1.00 0.00 C ATOM 309 C GLY A 25 4.232 -16.160 -4.174 1.00 0.00 C ATOM 310 O GLY A 25 4.556 -16.486 -5.315 1.00 0.00 O ATOM 0 H GLY A 25 3.600 -15.981 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.781 -16.240 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.216 -17.811 -3.234 1.00 0.00 H new ATOM 314 N GLY A 26 3.303 -15.243 -3.920 1.00 0.00 N ATOM 315 CA GLY A 26 2.612 -14.567 -5.003 1.00 0.00 C ATOM 316 C GLY A 26 3.187 -13.194 -5.290 1.00 0.00 C ATOM 317 O GLY A 26 4.362 -12.936 -5.025 1.00 0.00 O ATOM 0 H GLY A 26 3.017 -14.956 -2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.670 -15.178 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.556 -14.470 -4.751 1.00 0.00 H new ATOM 321 N THR A 27 2.359 -12.309 -5.836 1.00 0.00 N ATOM 322 CA THR A 27 2.792 -10.957 -6.163 1.00 0.00 C ATOM 323 C THR A 27 1.677 -9.947 -5.914 1.00 0.00 C ATOM 324 O THR A 27 0.640 -9.976 -6.577 1.00 0.00 O ATOM 325 CB THR A 27 3.246 -10.851 -7.631 1.00 0.00 C ATOM 326 OG1 THR A 27 4.222 -11.860 -7.916 1.00 0.00 O ATOM 327 CG2 THR A 27 3.831 -9.477 -7.919 1.00 0.00 C ATOM 0 H THR A 27 1.384 -12.505 -6.061 1.00 0.00 H new ATOM 0 HA THR A 27 3.637 -10.730 -5.512 1.00 0.00 H new ATOM 0 HB THR A 27 2.375 -10.998 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.504 -11.787 -8.852 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.144 -9.426 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.077 -8.713 -7.729 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.692 -9.305 -7.273 1.00 0.00 H new ATOM 335 N VAL A 28 1.896 -9.055 -4.953 1.00 0.00 N ATOM 336 CA VAL A 28 0.911 -8.035 -4.618 1.00 0.00 C ATOM 337 C VAL A 28 1.329 -6.669 -5.152 1.00 0.00 C ATOM 338 O VAL A 28 2.499 -6.292 -5.076 1.00 0.00 O ATOM 339 CB VAL A 28 0.701 -7.936 -3.095 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.282 -6.824 -2.762 1.00 0.00 C ATOM 341 CG2 VAL A 28 0.222 -9.267 -2.536 1.00 0.00 C ATOM 0 H VAL A 28 2.748 -9.019 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.026 -8.334 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 28 1.656 -7.695 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.417 -6.770 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.107 -5.873 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.241 -7.031 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.079 -9.179 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.722 -9.540 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.966 -10.037 -2.741 1.00 0.00 H new ATOM 351 N THR A 29 0.365 -5.931 -5.692 1.00 0.00 N ATOM 352 CA THR A 29 0.633 -4.607 -6.240 1.00 0.00 C ATOM 353 C THR A 29 -0.159 -3.535 -5.500 1.00 0.00 C ATOM 354 O THR A 29 -1.374 -3.419 -5.667 1.00 0.00 O ATOM 355 CB THR A 29 0.288 -4.539 -7.740 1.00 0.00 C ATOM 356 OG1 THR A 29 1.102 -5.464 -8.471 1.00 0.00 O ATOM 357 CG2 THR A 29 0.499 -3.133 -8.281 1.00 0.00 C ATOM 0 H THR A 29 -0.608 -6.227 -5.762 1.00 0.00 H new ATOM 0 HA THR A 29 1.699 -4.422 -6.111 1.00 0.00 H new ATOM 0 HB THR A 29 -0.762 -4.804 -7.862 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.876 -5.417 -9.423 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.249 -3.110 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.142 -2.436 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.542 -2.845 -8.148 1.00 0.00 H new ATOM 365 N LEU A 30 0.535 -2.752 -4.682 1.00 0.00 N ATOM 366 CA LEU A 30 -0.104 -1.688 -3.916 1.00 0.00 C ATOM 367 C LEU A 30 -0.049 -0.364 -4.672 1.00 0.00 C ATOM 368 O LEU A 30 1.016 0.067 -5.115 1.00 0.00 O ATOM 369 CB LEU A 30 0.573 -1.537 -2.552 1.00 0.00 C ATOM 370 CG LEU A 30 0.343 -2.677 -1.559 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.417 -3.744 -1.713 1.00 0.00 C ATOM 372 CD2 LEU A 30 0.318 -2.146 -0.133 1.00 0.00 C ATOM 0 H LEU A 30 1.541 -2.834 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.150 -1.958 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.646 -1.431 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.225 -0.610 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.625 -3.130 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.237 -4.547 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.388 -4.146 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.396 -3.304 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.153 -2.971 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.270 -1.667 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.488 -1.419 -0.029 1.00 0.00 H new ATOM 384 N THR A 31 -1.205 0.278 -4.815 1.00 0.00 N ATOM 385 CA THR A 31 -1.289 1.552 -5.516 1.00 0.00 C ATOM 386 C THR A 31 -1.667 2.680 -4.563 1.00 0.00 C ATOM 387 O THR A 31 -2.554 2.526 -3.722 1.00 0.00 O ATOM 388 CB THR A 31 -2.317 1.497 -6.661 1.00 0.00 C ATOM 389 OG1 THR A 31 -2.147 0.290 -7.414 1.00 0.00 O ATOM 390 CG2 THR A 31 -2.169 2.699 -7.581 1.00 0.00 C ATOM 0 H THR A 31 -2.095 -0.064 -4.454 1.00 0.00 H new ATOM 0 HA THR A 31 -0.301 1.748 -5.934 1.00 0.00 H new ATOM 0 HB THR A 31 -3.315 1.516 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.805 0.261 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.906 2.637 -8.382 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.328 3.615 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.167 2.708 -8.010 1.00 0.00 H new ATOM 398 N CYS A 32 -0.991 3.816 -4.700 1.00 0.00 N ATOM 399 CA CYS A 32 -1.256 4.971 -3.851 1.00 0.00 C ATOM 400 C CYS A 32 -1.340 6.249 -4.682 1.00 0.00 C ATOM 401 O CYS A 32 -0.505 6.490 -5.553 1.00 0.00 O ATOM 402 CB CYS A 32 -0.164 5.112 -2.789 1.00 0.00 C ATOM 403 SG CYS A 32 -0.598 6.232 -1.420 1.00 0.00 S ATOM 0 H CYS A 32 -0.255 3.961 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.215 4.815 -3.357 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.060 4.127 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.747 5.474 -3.266 1.00 0.00 H new ATOM 519 N GLN A 41 5.072 13.033 -3.796 1.00 0.00 N ATOM 520 CA GLN A 41 6.155 12.123 -3.441 1.00 0.00 C ATOM 521 C GLN A 41 5.619 10.899 -2.706 1.00 0.00 C ATOM 522 O GLN A 41 5.320 10.962 -1.513 1.00 0.00 O ATOM 523 CB GLN A 41 7.189 12.842 -2.573 1.00 0.00 C ATOM 524 CG GLN A 41 8.461 12.040 -2.352 1.00 0.00 C ATOM 525 CD GLN A 41 9.474 12.233 -3.463 1.00 0.00 C ATOM 526 OE1 GLN A 41 9.918 13.352 -3.726 1.00 0.00 O ATOM 527 NE2 GLN A 41 9.847 11.142 -4.122 1.00 0.00 N ATOM 0 HA GLN A 41 6.633 11.790 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.445 13.793 -3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.742 13.073 -1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.909 12.332 -1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.210 10.982 -2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.454 10.235 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.527 11.211 -4.879 1.00 0.00 H new ATOM 536 N ILE A 42 5.499 9.788 -3.425 1.00 0.00 N ATOM 537 CA ILE A 42 5.000 8.550 -2.840 1.00 0.00 C ATOM 538 C ILE A 42 6.090 7.840 -2.043 1.00 0.00 C ATOM 539 O ILE A 42 7.276 7.956 -2.354 1.00 0.00 O ATOM 540 CB ILE A 42 4.463 7.593 -3.920 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.451 8.314 -4.813 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.832 6.368 -3.276 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.161 8.662 -4.105 1.00 0.00 C ATOM 0 H ILE A 42 5.741 9.720 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 42 4.184 8.824 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 42 5.297 7.264 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.904 9.228 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.225 7.685 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.457 5.701 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.579 5.846 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.007 6.678 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.491 9.171 -4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.686 7.749 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.375 9.317 -3.260 1.00 0.00 H new ATOM 555 N HIS A 43 5.679 7.104 -1.016 1.00 0.00 N ATOM 556 CA HIS A 43 6.620 6.372 -0.175 1.00 0.00 C ATOM 557 C HIS A 43 5.986 5.093 0.364 1.00 0.00 C ATOM 558 O HIS A 43 4.789 5.055 0.649 1.00 0.00 O ATOM 559 CB HIS A 43 7.091 7.250 0.984 1.00 0.00 C ATOM 560 CG HIS A 43 8.290 8.085 0.654 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.220 9.441 0.416 1.00 0.00 N ATOM 562 CD2 HIS A 43 9.595 7.749 0.525 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.430 9.903 0.153 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.282 8.896 0.213 1.00 0.00 N ATOM 0 H HIS A 43 4.701 6.998 -0.746 1.00 0.00 H new ATOM 0 HA HIS A 43 7.480 6.100 -0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.275 7.905 1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.325 6.615 1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.017 6.762 0.645 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.679 10.929 -0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.287 8.960 0.053 1.00 0.00 H new ATOM 573 N TRP A 44 6.796 4.050 0.502 1.00 0.00 N ATOM 574 CA TRP A 44 6.313 2.769 1.006 1.00 0.00 C ATOM 575 C TRP A 44 7.015 2.398 2.308 1.00 0.00 C ATOM 576 O TRP A 44 8.239 2.285 2.354 1.00 0.00 O ATOM 577 CB TRP A 44 6.532 1.671 -0.036 1.00 0.00 C ATOM 578 CG TRP A 44 5.722 1.866 -1.282 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.185 2.248 -2.509 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.308 1.689 -1.421 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.144 2.319 -3.403 1.00 0.00 N ATOM 582 CE2 TRP A 44 3.982 1.980 -2.761 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.287 1.311 -0.546 1.00 0.00 C ATOM 584 CZ2 TRP A 44 2.678 1.906 -3.242 1.00 0.00 C ATOM 585 CZ3 TRP A 44 1.992 1.238 -1.025 1.00 0.00 C ATOM 586 CH2 TRP A 44 1.697 1.534 -2.363 1.00 0.00 C ATOM 0 H TRP A 44 7.790 4.066 0.272 1.00 0.00 H new ATOM 0 HA TRP A 44 5.245 2.864 1.204 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.589 1.636 -0.300 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.281 0.706 0.405 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.217 2.463 -2.742 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.223 2.582 -4.385 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.505 1.080 0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.448 2.134 -4.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.194 0.948 -0.357 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.675 1.467 -2.707 1.00 0.00 H new ATOM 597 N MET A 45 6.231 2.210 3.365 1.00 0.00 N ATOM 598 CA MET A 45 6.778 1.850 4.668 1.00 0.00 C ATOM 599 C MET A 45 6.104 0.595 5.213 1.00 0.00 C ATOM 600 O MET A 45 4.893 0.420 5.078 1.00 0.00 O ATOM 601 CB MET A 45 6.605 3.006 5.655 1.00 0.00 C ATOM 602 CG MET A 45 7.231 4.308 5.181 1.00 0.00 C ATOM 603 SD MET A 45 7.300 5.558 6.479 1.00 0.00 S ATOM 604 CE MET A 45 8.547 4.859 7.557 1.00 0.00 C ATOM 0 H MET A 45 5.215 2.301 3.345 1.00 0.00 H new ATOM 0 HA MET A 45 7.841 1.645 4.543 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.541 3.167 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.048 2.726 6.611 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.240 4.111 4.818 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.659 4.696 4.338 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.101 4.619 8.522 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.949 3.951 7.107 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.351 5.581 7.699 1.00 0.00 H new ATOM 614 N LYS A 46 6.895 -0.276 5.830 1.00 0.00 N ATOM 615 CA LYS A 46 6.375 -1.514 6.397 1.00 0.00 C ATOM 616 C LYS A 46 6.669 -1.594 7.892 1.00 0.00 C ATOM 617 O LYS A 46 7.818 -1.765 8.300 1.00 0.00 O ATOM 618 CB LYS A 46 6.984 -2.722 5.682 1.00 0.00 C ATOM 619 CG LYS A 46 6.664 -4.049 6.348 1.00 0.00 C ATOM 620 CD LYS A 46 7.200 -5.221 5.544 1.00 0.00 C ATOM 621 CE LYS A 46 6.639 -6.543 6.044 1.00 0.00 C ATOM 622 NZ LYS A 46 7.111 -6.861 7.420 1.00 0.00 N ATOM 0 H LYS A 46 7.900 -0.147 5.950 1.00 0.00 H new ATOM 0 HA LYS A 46 5.294 -1.523 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.623 -2.745 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.066 -2.599 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.094 -4.067 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.585 -4.149 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.943 -5.090 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.288 -5.239 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.550 -6.502 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.934 -7.343 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.707 -7.769 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.149 -6.925 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.808 -6.111 8.073 1.00 0.00 H new ATOM 636 N ASP A 47 5.624 -1.470 8.703 1.00 0.00 N ATOM 637 CA ASP A 47 5.771 -1.530 10.153 1.00 0.00 C ATOM 638 C ASP A 47 6.504 -0.299 10.677 1.00 0.00 C ATOM 639 O ASP A 47 7.303 -0.390 11.608 1.00 0.00 O ATOM 640 CB ASP A 47 6.523 -2.799 10.558 1.00 0.00 C ATOM 641 CG ASP A 47 6.389 -3.103 12.037 1.00 0.00 C ATOM 642 OD1 ASP A 47 5.253 -3.051 12.553 1.00 0.00 O ATOM 643 OD2 ASP A 47 7.420 -3.393 12.680 1.00 0.00 O ATOM 0 H ASP A 47 4.667 -1.327 8.381 1.00 0.00 H new ATOM 0 HA ASP A 47 4.775 -1.551 10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.144 -3.642 9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.578 -2.689 10.307 1.00 0.00 H new ATOM 648 N GLY A 48 6.227 0.851 10.071 1.00 0.00 N ATOM 649 CA GLY A 48 6.869 2.083 10.489 1.00 0.00 C ATOM 650 C GLY A 48 8.347 2.110 10.153 1.00 0.00 C ATOM 651 O GLY A 48 9.144 2.712 10.872 1.00 0.00 O ATOM 0 H GLY A 48 5.569 0.951 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.375 2.928 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.742 2.209 11.564 1.00 0.00 H new ATOM 655 N VAL A 49 8.715 1.454 9.057 1.00 0.00 N ATOM 656 CA VAL A 49 10.107 1.404 8.627 1.00 0.00 C ATOM 657 C VAL A 49 10.219 1.528 7.111 1.00 0.00 C ATOM 658 O VAL A 49 9.602 0.777 6.355 1.00 0.00 O ATOM 659 CB VAL A 49 10.787 0.097 9.075 1.00 0.00 C ATOM 660 CG1 VAL A 49 12.175 -0.020 8.466 1.00 0.00 C ATOM 661 CG2 VAL A 49 10.854 0.026 10.594 1.00 0.00 C ATOM 0 H VAL A 49 8.068 0.950 8.451 1.00 0.00 H new ATOM 0 HA VAL A 49 10.613 2.248 9.097 1.00 0.00 H new ATOM 0 HB VAL A 49 10.190 -0.743 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.639 -0.950 8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.097 -0.018 7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.786 0.824 8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.337 -0.904 10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.428 0.872 10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.845 0.059 11.005 1.00 0.00 H new ATOM 671 N PRO A 50 11.025 2.498 6.655 1.00 0.00 N ATOM 672 CA PRO A 50 11.238 2.743 5.225 1.00 0.00 C ATOM 673 C PRO A 50 12.039 1.629 4.559 1.00 0.00 C ATOM 674 O PRO A 50 13.198 1.393 4.902 1.00 0.00 O ATOM 675 CB PRO A 50 12.027 4.055 5.204 1.00 0.00 C ATOM 676 CG PRO A 50 12.716 4.104 6.524 1.00 0.00 C ATOM 677 CD PRO A 50 11.791 3.430 7.499 1.00 0.00 C ATOM 0 HA PRO A 50 10.298 2.786 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.743 4.073 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.367 4.912 5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.678 3.593 6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.915 5.133 6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.343 2.905 8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.140 4.148 7.997 1.00 0.00 H new ATOM 685 N LEU A 51 11.414 0.947 3.606 1.00 0.00 N ATOM 686 CA LEU A 51 12.069 -0.143 2.891 1.00 0.00 C ATOM 687 C LEU A 51 12.909 0.391 1.735 1.00 0.00 C ATOM 688 O LEU A 51 12.594 1.415 1.128 1.00 0.00 O ATOM 689 CB LEU A 51 11.028 -1.132 2.364 1.00 0.00 C ATOM 690 CG LEU A 51 10.078 -1.725 3.406 1.00 0.00 C ATOM 691 CD1 LEU A 51 8.732 -2.051 2.777 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.688 -2.967 4.039 1.00 0.00 C ATOM 0 H LEU A 51 10.455 1.129 3.310 1.00 0.00 H new ATOM 0 HA LEU A 51 12.729 -0.657 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.432 -0.630 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.551 -1.951 1.871 1.00 0.00 H new ATOM 0 HG LEU A 51 9.920 -0.983 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.069 -2.472 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.289 -1.141 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.871 -2.774 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.998 -3.375 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.877 -3.713 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.627 -2.703 4.526 1.00 0.00 H new ATOM 704 N PRO A 52 14.003 -0.318 1.421 1.00 0.00 N ATOM 705 CA PRO A 52 14.910 0.065 0.335 1.00 0.00 C ATOM 706 C PRO A 52 14.277 -0.119 -1.040 1.00 0.00 C ATOM 707 O PRO A 52 14.529 -1.113 -1.723 1.00 0.00 O ATOM 708 CB PRO A 52 16.095 -0.888 0.510 1.00 0.00 C ATOM 709 CG PRO A 52 15.527 -2.075 1.208 1.00 0.00 C ATOM 710 CD PRO A 52 14.440 -1.548 2.103 1.00 0.00 C ATOM 0 HA PRO A 52 15.183 1.119 0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.527 -1.164 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.890 -0.427 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.129 -2.795 0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.293 -2.591 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.623 -2.262 2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.811 -1.341 3.107 1.00 0.00 H new ATOM 718 N LEU A 53 13.454 0.844 -1.441 1.00 0.00 N ATOM 719 CA LEU A 53 12.785 0.788 -2.736 1.00 0.00 C ATOM 720 C LEU A 53 12.464 2.190 -3.244 1.00 0.00 C ATOM 721 O LEU A 53 12.316 3.138 -2.472 1.00 0.00 O ATOM 722 CB LEU A 53 11.500 -0.036 -2.634 1.00 0.00 C ATOM 723 CG LEU A 53 11.682 -1.542 -2.443 1.00 0.00 C ATOM 724 CD1 LEU A 53 10.358 -2.199 -2.086 1.00 0.00 C ATOM 725 CD2 LEU A 53 12.271 -2.171 -3.697 1.00 0.00 C ATOM 0 H LEU A 53 13.234 1.673 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 53 13.460 0.310 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.912 0.347 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.915 0.127 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 53 12.377 -1.703 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.507 -3.271 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.977 -1.769 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.640 -2.029 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.394 -3.243 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.601 -2.000 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.241 -1.721 -3.908 1.00 0.00 H new ATOM 737 N PRO A 54 12.353 2.327 -4.574 1.00 0.00 N ATOM 738 CA PRO A 54 12.045 3.609 -5.215 1.00 0.00 C ATOM 739 C PRO A 54 10.613 4.061 -4.949 1.00 0.00 C ATOM 740 O PRO A 54 9.668 3.275 -5.007 1.00 0.00 O ATOM 741 CB PRO A 54 12.247 3.319 -6.704 1.00 0.00 C ATOM 742 CG PRO A 54 12.026 1.851 -6.837 1.00 0.00 C ATOM 743 CD PRO A 54 12.517 1.240 -5.554 1.00 0.00 C ATOM 0 HA PRO A 54 12.672 4.416 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.543 3.883 -7.316 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.249 3.600 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.971 1.628 -6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.569 1.451 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.935 0.360 -5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.557 0.923 -5.632 1.00 0.00 H new ATOM 751 N PRO A 55 10.447 5.359 -4.652 1.00 0.00 N ATOM 752 CA PRO A 55 9.133 5.945 -4.373 1.00 0.00 C ATOM 753 C PRO A 55 8.254 6.016 -5.617 1.00 0.00 C ATOM 754 O PRO A 55 8.444 6.879 -6.474 1.00 0.00 O ATOM 755 CB PRO A 55 9.470 7.352 -3.876 1.00 0.00 C ATOM 756 CG PRO A 55 10.794 7.662 -4.486 1.00 0.00 C ATOM 757 CD PRO A 55 11.529 6.353 -4.567 1.00 0.00 C ATOM 0 HA PRO A 55 8.565 5.350 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.713 8.073 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.518 7.387 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.674 8.104 -5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.344 8.382 -3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.182 6.312 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.157 6.190 -3.691 1.00 0.00 H new ATOM 765 N SER A 56 7.292 5.103 -5.710 1.00 0.00 N ATOM 766 CA SER A 56 6.385 5.061 -6.851 1.00 0.00 C ATOM 767 C SER A 56 4.953 4.798 -6.398 1.00 0.00 C ATOM 768 O SER A 56 4.706 4.188 -5.357 1.00 0.00 O ATOM 769 CB SER A 56 6.827 3.980 -7.840 1.00 0.00 C ATOM 770 OG SER A 56 8.233 3.811 -7.816 1.00 0.00 O ATOM 0 H SER A 56 7.121 4.382 -5.009 1.00 0.00 H new ATOM 0 HA SER A 56 6.417 6.032 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.340 3.036 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.507 4.251 -8.846 1.00 0.00 H new ATOM 0 HG SER A 56 8.490 3.114 -8.455 1.00 0.00 H new ATOM 776 N PRO A 57 3.984 5.268 -7.197 1.00 0.00 N ATOM 777 CA PRO A 57 2.559 5.096 -6.900 1.00 0.00 C ATOM 778 C PRO A 57 2.108 3.646 -7.044 1.00 0.00 C ATOM 779 O PRO A 57 0.936 3.328 -6.845 1.00 0.00 O ATOM 780 CB PRO A 57 1.870 5.976 -7.946 1.00 0.00 C ATOM 781 CG PRO A 57 2.838 6.050 -9.076 1.00 0.00 C ATOM 782 CD PRO A 57 4.205 6.004 -8.454 1.00 0.00 C ATOM 0 HA PRO A 57 2.321 5.367 -5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.922 5.543 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.650 6.966 -7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.696 5.219 -9.767 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.700 6.967 -9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.922 5.494 -9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.597 7.004 -8.270 1.00 0.00 H new ATOM 790 N VAL A 58 3.047 2.771 -7.389 1.00 0.00 N ATOM 791 CA VAL A 58 2.746 1.354 -7.557 1.00 0.00 C ATOM 792 C VAL A 58 3.885 0.485 -7.035 1.00 0.00 C ATOM 793 O VAL A 58 4.960 0.425 -7.634 1.00 0.00 O ATOM 794 CB VAL A 58 2.486 1.007 -9.035 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.216 -0.481 -9.195 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.327 1.829 -9.578 1.00 0.00 C ATOM 0 H VAL A 58 4.022 3.018 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 58 1.844 1.151 -6.980 1.00 0.00 H new ATOM 0 HB VAL A 58 3.378 1.253 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.035 -0.707 -10.246 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.080 -1.047 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.340 -0.757 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.157 1.572 -10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.428 1.616 -9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.565 2.890 -9.500 1.00 0.00 H new ATOM 806 N LEU A 59 3.643 -0.188 -5.916 1.00 0.00 N ATOM 807 CA LEU A 59 4.648 -1.056 -5.312 1.00 0.00 C ATOM 808 C LEU A 59 4.293 -2.526 -5.518 1.00 0.00 C ATOM 809 O LEU A 59 3.156 -2.937 -5.287 1.00 0.00 O ATOM 810 CB LEU A 59 4.779 -0.755 -3.818 1.00 0.00 C ATOM 811 CG LEU A 59 5.364 -1.875 -2.957 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.791 -2.185 -3.382 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.315 -1.496 -1.484 1.00 0.00 C ATOM 0 H LEU A 59 2.759 -0.150 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 59 5.603 -0.860 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.403 0.131 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.792 -0.504 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 59 4.761 -2.771 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.191 -2.984 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.800 -2.500 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.407 -1.293 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.735 -2.305 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.894 -0.587 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.280 -1.325 -1.187 1.00 0.00 H new ATOM 825 N ILE A 60 5.273 -3.311 -5.950 1.00 0.00 N ATOM 826 CA ILE A 60 5.065 -4.734 -6.183 1.00 0.00 C ATOM 827 C ILE A 60 5.865 -5.576 -5.195 1.00 0.00 C ATOM 828 O ILE A 60 7.093 -5.495 -5.146 1.00 0.00 O ATOM 829 CB ILE A 60 5.459 -5.134 -7.617 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.756 -4.231 -8.633 1.00 0.00 C ATOM 831 CG2 ILE A 60 5.117 -6.595 -7.873 1.00 0.00 C ATOM 832 CD1 ILE A 60 5.491 -2.937 -8.902 1.00 0.00 C ATOM 0 H ILE A 60 6.220 -2.985 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 60 4.001 -4.924 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 60 6.536 -5.008 -7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.639 -4.775 -9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.754 -4.002 -8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.401 -6.862 -8.891 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.659 -7.225 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.045 -6.746 -7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.935 -2.348 -9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.585 -2.372 -7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.484 -3.157 -9.294 1.00 0.00 H new ATOM 844 N LEU A 61 5.162 -6.385 -4.410 1.00 0.00 N ATOM 845 CA LEU A 61 5.806 -7.244 -3.423 1.00 0.00 C ATOM 846 C LEU A 61 5.762 -8.705 -3.861 1.00 0.00 C ATOM 847 O LEU A 61 5.055 -9.530 -3.283 1.00 0.00 O ATOM 848 CB LEU A 61 5.128 -7.088 -2.061 1.00 0.00 C ATOM 849 CG LEU A 61 6.037 -7.223 -0.839 1.00 0.00 C ATOM 850 CD1 LEU A 61 6.591 -8.636 -0.740 1.00 0.00 C ATOM 851 CD2 LEU A 61 7.170 -6.208 -0.901 1.00 0.00 C ATOM 0 H LEU A 61 4.145 -6.464 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 61 6.849 -6.940 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.649 -6.110 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.336 -7.833 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 61 5.445 -7.022 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.236 -8.714 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.767 -9.344 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.167 -8.864 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.806 -6.319 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.761 -6.377 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.755 -5.200 -0.923 1.00 0.00 H new ATOM 863 N PRO A 62 6.537 -9.033 -4.905 1.00 0.00 N ATOM 864 CA PRO A 62 6.605 -10.396 -5.442 1.00 0.00 C ATOM 865 C PRO A 62 7.309 -11.358 -4.492 1.00 0.00 C ATOM 866 O PRO A 62 8.004 -10.936 -3.568 1.00 0.00 O ATOM 867 CB PRO A 62 7.415 -10.229 -6.731 1.00 0.00 C ATOM 868 CG PRO A 62 8.238 -9.008 -6.505 1.00 0.00 C ATOM 869 CD PRO A 62 7.405 -8.101 -5.642 1.00 0.00 C ATOM 0 HA PRO A 62 5.614 -10.823 -5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.042 -11.100 -6.920 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.763 -10.112 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.179 -9.257 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.489 -8.526 -7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.023 -7.509 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.824 -7.399 -6.240 1.00 0.00 H new ATOM 877 N GLU A 63 7.125 -12.654 -4.725 1.00 0.00 N ATOM 878 CA GLU A 63 7.743 -13.676 -3.889 1.00 0.00 C ATOM 879 C GLU A 63 7.433 -13.433 -2.414 1.00 0.00 C ATOM 880 O GLU A 63 8.339 -13.336 -1.586 1.00 0.00 O ATOM 881 CB GLU A 63 9.257 -13.697 -4.106 1.00 0.00 C ATOM 882 CG GLU A 63 9.687 -14.499 -5.323 1.00 0.00 C ATOM 883 CD GLU A 63 11.194 -14.616 -5.442 1.00 0.00 C ATOM 884 OE1 GLU A 63 11.851 -13.582 -5.688 1.00 0.00 O ATOM 885 OE2 GLU A 63 11.716 -15.740 -5.291 1.00 0.00 O ATOM 0 H GLU A 63 6.553 -13.021 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 63 7.329 -14.643 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.615 -12.673 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.737 -14.112 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.252 -15.497 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.291 -14.028 -6.222 1.00 0.00 H new ATOM 892 N ILE A 64 6.146 -13.334 -2.095 1.00 0.00 N ATOM 893 CA ILE A 64 5.717 -13.103 -0.722 1.00 0.00 C ATOM 894 C ILE A 64 5.770 -14.390 0.095 1.00 0.00 C ATOM 895 O ILE A 64 5.566 -15.482 -0.433 1.00 0.00 O ATOM 896 CB ILE A 64 4.287 -12.533 -0.668 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.322 -11.004 -0.724 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.575 -13.006 0.591 1.00 0.00 C ATOM 899 CD1 ILE A 64 3.003 -10.385 -1.130 1.00 0.00 C ATOM 0 H ILE A 64 5.384 -13.410 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 64 6.407 -12.375 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 64 3.733 -12.897 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.609 -10.619 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.093 -10.692 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.566 -12.595 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.523 -14.095 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.125 -12.668 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.101 -9.300 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.724 -10.741 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.232 -10.667 -0.413 1.00 0.00 H new ATOM 911 N GLY A 65 6.044 -14.252 1.389 1.00 0.00 N ATOM 912 CA GLY A 65 6.117 -15.411 2.259 1.00 0.00 C ATOM 913 C GLY A 65 5.647 -15.109 3.668 1.00 0.00 C ATOM 914 O GLY A 65 4.883 -14.173 3.903 1.00 0.00 O ATOM 0 H GLY A 65 6.217 -13.359 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.510 -16.214 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.145 -15.773 2.292 1.00 0.00 H new ATOM 918 N PRO A 66 6.108 -15.916 4.636 1.00 0.00 N ATOM 919 CA PRO A 66 5.742 -15.751 6.045 1.00 0.00 C ATOM 920 C PRO A 66 6.357 -14.499 6.661 1.00 0.00 C ATOM 921 O PRO A 66 5.712 -13.800 7.442 1.00 0.00 O ATOM 922 CB PRO A 66 6.310 -17.008 6.709 1.00 0.00 C ATOM 923 CG PRO A 66 7.432 -17.429 5.824 1.00 0.00 C ATOM 924 CD PRO A 66 7.022 -17.052 4.428 1.00 0.00 C ATOM 0 HA PRO A 66 4.666 -15.633 6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.660 -16.798 7.720 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.554 -17.789 6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.360 -16.931 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.609 -18.502 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.881 -16.770 3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.527 -17.878 3.918 1.00 0.00 H new ATOM 932 N GLN A 67 7.607 -14.222 6.304 1.00 0.00 N ATOM 933 CA GLN A 67 8.308 -13.054 6.823 1.00 0.00 C ATOM 934 C GLN A 67 7.765 -11.772 6.200 1.00 0.00 C ATOM 935 O GLN A 67 7.733 -10.723 6.844 1.00 0.00 O ATOM 936 CB GLN A 67 9.809 -13.171 6.551 1.00 0.00 C ATOM 937 CG GLN A 67 10.159 -13.192 5.072 1.00 0.00 C ATOM 938 CD GLN A 67 11.545 -13.748 4.808 1.00 0.00 C ATOM 939 OE1 GLN A 67 12.345 -13.916 5.729 1.00 0.00 O ATOM 940 NE2 GLN A 67 11.836 -14.037 3.545 1.00 0.00 N ATOM 0 H GLN A 67 8.155 -14.790 5.658 1.00 0.00 H new ATOM 0 HA GLN A 67 8.143 -13.011 7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.322 -12.335 7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.185 -14.082 7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.423 -13.792 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.096 -12.180 4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.142 -13.882 2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.753 -14.414 3.306 1.00 0.00 H new ATOM 949 N ASP A 68 7.340 -11.864 4.945 1.00 0.00 N ATOM 950 CA ASP A 68 6.798 -10.712 4.235 1.00 0.00 C ATOM 951 C ASP A 68 5.550 -10.181 4.934 1.00 0.00 C ATOM 952 O ASP A 68 5.313 -8.974 4.967 1.00 0.00 O ATOM 953 CB ASP A 68 6.467 -11.086 2.789 1.00 0.00 C ATOM 954 CG ASP A 68 7.653 -11.687 2.061 1.00 0.00 C ATOM 955 OD1 ASP A 68 8.109 -12.777 2.466 1.00 0.00 O ATOM 956 OD2 ASP A 68 8.125 -11.068 1.085 1.00 0.00 O ATOM 0 H ASP A 68 7.360 -12.725 4.398 1.00 0.00 H new ATOM 0 HA ASP A 68 7.555 -9.928 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.641 -11.797 2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.129 -10.198 2.255 1.00 0.00 H new ATOM 961 N GLN A 69 4.758 -11.091 5.490 1.00 0.00 N ATOM 962 CA GLN A 69 3.534 -10.713 6.187 1.00 0.00 C ATOM 963 C GLN A 69 3.783 -9.539 7.129 1.00 0.00 C ATOM 964 O GLN A 69 4.712 -9.564 7.935 1.00 0.00 O ATOM 965 CB GLN A 69 2.981 -11.904 6.973 1.00 0.00 C ATOM 966 CG GLN A 69 2.293 -12.942 6.100 1.00 0.00 C ATOM 967 CD GLN A 69 1.656 -14.054 6.909 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.771 -13.811 7.730 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.103 -15.283 6.681 1.00 0.00 N ATOM 0 H GLN A 69 4.941 -12.094 5.472 1.00 0.00 H new ATOM 0 HA GLN A 69 2.801 -10.407 5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.797 -12.381 7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.273 -11.540 7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.529 -12.454 5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.020 -13.370 5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.838 -15.439 5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.711 -16.072 7.196 1.00 0.00 H new ATOM 978 N GLY A 70 2.947 -8.511 7.020 1.00 0.00 N ATOM 979 CA GLY A 70 3.094 -7.342 7.867 1.00 0.00 C ATOM 980 C GLY A 70 2.207 -6.194 7.429 1.00 0.00 C ATOM 981 O GLY A 70 1.352 -6.356 6.557 1.00 0.00 O ATOM 0 H GLY A 70 2.170 -8.467 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.854 -7.610 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.135 -7.018 7.856 1.00 0.00 H new ATOM 985 N THR A 71 2.408 -5.028 8.036 1.00 0.00 N ATOM 986 CA THR A 71 1.618 -3.848 7.706 1.00 0.00 C ATOM 987 C THR A 71 2.276 -3.040 6.594 1.00 0.00 C ATOM 988 O THR A 71 3.484 -2.802 6.617 1.00 0.00 O ATOM 989 CB THR A 71 1.421 -2.943 8.936 1.00 0.00 C ATOM 990 OG1 THR A 71 2.655 -2.809 9.650 1.00 0.00 O ATOM 991 CG2 THR A 71 0.354 -3.510 9.861 1.00 0.00 C ATOM 0 H THR A 71 3.111 -4.876 8.759 1.00 0.00 H new ATOM 0 HA THR A 71 0.645 -4.203 7.366 1.00 0.00 H new ATOM 0 HB THR A 71 1.095 -1.963 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.521 -2.231 10.430 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.233 -2.853 10.722 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.592 -3.582 9.324 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.656 -4.501 10.200 1.00 0.00 H new ATOM 999 N TYR A 72 1.475 -2.620 5.621 1.00 0.00 N ATOM 1000 CA TYR A 72 1.980 -1.838 4.499 1.00 0.00 C ATOM 1001 C TYR A 72 1.175 -0.555 4.322 1.00 0.00 C ATOM 1002 O TYR A 72 -0.034 -0.594 4.092 1.00 0.00 O ATOM 1003 CB TYR A 72 1.932 -2.665 3.213 1.00 0.00 C ATOM 1004 CG TYR A 72 2.967 -3.766 3.162 1.00 0.00 C ATOM 1005 CD1 TYR A 72 2.748 -4.983 3.795 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.165 -3.589 2.479 1.00 0.00 C ATOM 1007 CE1 TYR A 72 3.692 -5.991 3.751 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.113 -4.592 2.429 1.00 0.00 C ATOM 1009 CZ TYR A 72 4.872 -5.791 3.067 1.00 0.00 C ATOM 1010 OH TYR A 72 5.814 -6.793 3.020 1.00 0.00 O ATOM 0 H TYR A 72 0.473 -2.808 5.587 1.00 0.00 H new ATOM 0 HA TYR A 72 3.014 -1.569 4.713 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.940 -3.105 3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.076 -2.003 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.824 -5.144 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.357 -2.651 1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.506 -6.931 4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.038 -4.438 1.893 1.00 0.00 H new ATOM 0 HH TYR A 72 5.595 -7.480 3.684 1.00 0.00 H new ATOM 1020 N SER A 73 1.854 0.582 4.430 1.00 0.00 N ATOM 1021 CA SER A 73 1.203 1.879 4.285 1.00 0.00 C ATOM 1022 C SER A 73 2.003 2.788 3.357 1.00 0.00 C ATOM 1023 O SER A 73 3.229 2.695 3.282 1.00 0.00 O ATOM 1024 CB SER A 73 1.037 2.545 5.652 1.00 0.00 C ATOM 1025 OG SER A 73 0.428 3.819 5.528 1.00 0.00 O ATOM 0 H SER A 73 2.855 0.632 4.618 1.00 0.00 H new ATOM 0 HA SER A 73 0.219 1.717 3.846 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.431 1.910 6.298 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.011 2.649 6.130 1.00 0.00 H new ATOM 0 HG SER A 73 -0.460 3.799 5.942 1.00 0.00 H new ATOM 1031 N CYS A 74 1.301 3.668 2.651 1.00 0.00 N ATOM 1032 CA CYS A 74 1.943 4.595 1.727 1.00 0.00 C ATOM 1033 C CYS A 74 1.876 6.024 2.256 1.00 0.00 C ATOM 1034 O CYS A 74 0.840 6.467 2.751 1.00 0.00 O ATOM 1035 CB CYS A 74 1.279 4.517 0.351 1.00 0.00 C ATOM 1036 SG CYS A 74 -0.411 5.193 0.302 1.00 0.00 S ATOM 0 H CYS A 74 0.286 3.759 2.701 1.00 0.00 H new ATOM 0 HA CYS A 74 2.991 4.310 1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.895 5.055 -0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.252 3.475 0.031 1.00 0.00 H new ATOM 1041 N VAL A 75 2.990 6.742 2.149 1.00 0.00 N ATOM 1042 CA VAL A 75 3.059 8.122 2.615 1.00 0.00 C ATOM 1043 C VAL A 75 3.102 9.096 1.443 1.00 0.00 C ATOM 1044 O VAL A 75 3.501 8.734 0.337 1.00 0.00 O ATOM 1045 CB VAL A 75 4.294 8.352 3.506 1.00 0.00 C ATOM 1046 CG1 VAL A 75 4.336 9.791 3.999 1.00 0.00 C ATOM 1047 CG2 VAL A 75 4.295 7.380 4.676 1.00 0.00 C ATOM 0 H VAL A 75 3.857 6.390 1.743 1.00 0.00 H new ATOM 0 HA VAL A 75 2.158 8.304 3.202 1.00 0.00 H new ATOM 0 HB VAL A 75 5.189 8.170 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.215 9.935 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.385 10.467 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.438 10.003 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.175 7.557 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.395 7.528 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.316 6.357 4.299 1.00 0.00 H new ATOM 1057 N ALA A 76 2.690 10.334 1.695 1.00 0.00 N ATOM 1058 CA ALA A 76 2.684 11.362 0.662 1.00 0.00 C ATOM 1059 C ALA A 76 3.332 12.648 1.163 1.00 0.00 C ATOM 1060 O ALA A 76 2.710 13.430 1.883 1.00 0.00 O ATOM 1061 CB ALA A 76 1.261 11.633 0.195 1.00 0.00 C ATOM 0 H ALA A 76 2.356 10.649 2.606 1.00 0.00 H new ATOM 0 HA ALA A 76 3.269 10.997 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.272 12.403 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.831 10.718 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.660 11.973 1.038 1.00 0.00 H new ATOM 1177 N GLU A 85 0.124 9.785 5.371 1.00 0.00 N ATOM 1178 CA GLU A 85 0.223 8.339 5.527 1.00 0.00 C ATOM 1179 C GLU A 85 -1.157 7.690 5.479 1.00 0.00 C ATOM 1180 O GLU A 85 -2.038 8.021 6.272 1.00 0.00 O ATOM 1181 CB GLU A 85 0.915 7.992 6.847 1.00 0.00 C ATOM 1182 CG GLU A 85 1.668 6.673 6.812 1.00 0.00 C ATOM 1183 CD GLU A 85 1.738 6.004 8.171 1.00 0.00 C ATOM 1184 OE1 GLU A 85 0.762 6.124 8.941 1.00 0.00 O ATOM 1185 OE2 GLU A 85 2.768 5.362 8.465 1.00 0.00 O ATOM 0 HA GLU A 85 0.817 7.951 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.611 8.791 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.168 7.953 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.182 6.001 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.679 6.846 6.444 1.00 0.00 H new ATOM 1192 N SER A 86 -1.337 6.765 4.541 1.00 0.00 N ATOM 1193 CA SER A 86 -2.611 6.073 4.385 1.00 0.00 C ATOM 1194 C SER A 86 -2.785 5.006 5.462 1.00 0.00 C ATOM 1195 O SER A 86 -1.900 4.796 6.291 1.00 0.00 O ATOM 1196 CB SER A 86 -2.701 5.433 2.998 1.00 0.00 C ATOM 1197 OG SER A 86 -2.389 6.371 1.983 1.00 0.00 O ATOM 0 H SER A 86 -0.617 6.478 3.878 1.00 0.00 H new ATOM 0 HA SER A 86 -3.410 6.806 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.016 4.587 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.706 5.041 2.839 1.00 0.00 H new ATOM 0 HG SER A 86 -2.168 5.896 1.155 1.00 0.00 H new ATOM 1203 N ARG A 87 -3.932 4.336 5.442 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.224 3.291 6.416 1.00 0.00 C ATOM 1205 C ARG A 87 -3.198 2.165 6.330 1.00 0.00 C ATOM 1206 O ARG A 87 -2.481 2.040 5.338 1.00 0.00 O ATOM 1207 CB ARG A 87 -5.630 2.733 6.192 1.00 0.00 C ATOM 1208 CG ARG A 87 -6.738 3.687 6.608 1.00 0.00 C ATOM 1209 CD ARG A 87 -8.113 3.107 6.313 1.00 0.00 C ATOM 1210 NE ARG A 87 -8.388 3.054 4.880 1.00 0.00 N ATOM 1211 CZ ARG A 87 -8.876 4.077 4.187 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -9.140 5.227 4.793 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -9.100 3.952 2.886 1.00 0.00 N ATOM 0 H ARG A 87 -4.675 4.498 4.762 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.171 3.732 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.750 2.488 5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.735 1.802 6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.654 3.902 7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.621 4.634 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.181 2.103 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.875 3.711 6.806 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.195 2.184 4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.968 5.327 5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.515 6.011 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.898 3.070 2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.475 4.738 2.355 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.134 1.348 7.377 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.198 0.232 7.418 1.00 0.00 C ATOM 1229 C ALA A 88 -2.861 -1.058 6.949 1.00 0.00 C ATOM 1230 O ALA A 88 -3.840 -1.515 7.539 1.00 0.00 O ATOM 1231 CB ALA A 88 -1.643 0.061 8.825 1.00 0.00 C ATOM 0 H ALA A 88 -3.719 1.439 8.207 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.375 0.454 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.945 -0.776 8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.125 0.972 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.461 -0.135 9.518 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.321 -1.642 5.884 1.00 0.00 N ATOM 1238 CA VAL A 89 -2.860 -2.881 5.335 1.00 0.00 C ATOM 1239 C VAL A 89 -2.052 -4.086 5.803 1.00 0.00 C ATOM 1240 O VAL A 89 -0.825 -4.096 5.715 1.00 0.00 O ATOM 1241 CB VAL A 89 -2.875 -2.853 3.795 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -1.457 -2.872 3.247 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.683 -4.021 3.250 1.00 0.00 C ATOM 0 H VAL A 89 -1.510 -1.277 5.384 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.884 -2.970 5.699 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.351 -1.928 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.488 -2.852 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.915 -1.999 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.951 -3.778 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.683 -3.986 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.238 -4.958 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.708 -3.956 3.615 1.00 0.00 H new ATOM 1253 N SER A 90 -2.750 -5.102 6.300 1.00 0.00 N ATOM 1254 CA SER A 90 -2.098 -6.313 6.785 1.00 0.00 C ATOM 1255 C SER A 90 -2.037 -7.373 5.690 1.00 0.00 C ATOM 1256 O SER A 90 -3.066 -7.794 5.160 1.00 0.00 O ATOM 1257 CB SER A 90 -2.840 -6.864 8.004 1.00 0.00 C ATOM 1258 OG SER A 90 -4.183 -7.181 7.683 1.00 0.00 O ATOM 0 H SER A 90 -3.767 -5.111 6.377 1.00 0.00 H new ATOM 0 HA SER A 90 -1.079 -6.056 7.075 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.331 -7.755 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.819 -6.130 8.809 1.00 0.00 H new ATOM 0 HG SER A 90 -4.230 -7.511 6.761 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.824 -7.800 5.355 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.628 -8.812 4.324 1.00 0.00 C ATOM 1266 C ILE A 91 -0.434 -10.194 4.940 1.00 0.00 C ATOM 1267 O ILE A 91 0.597 -10.472 5.553 1.00 0.00 O ATOM 1268 CB ILE A 91 0.587 -8.483 3.436 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.459 -7.070 2.864 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.716 -9.504 2.316 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -0.756 -6.882 1.983 1.00 0.00 C ATOM 0 H ILE A 91 0.038 -7.461 5.783 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.528 -8.814 3.709 1.00 0.00 H new ATOM 0 HB ILE A 91 1.489 -8.527 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.415 -6.356 3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.355 -6.837 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.579 -9.258 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.847 -10.498 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.186 -9.488 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.782 -5.857 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.704 -7.571 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.659 -7.082 2.560 1.00 0.00 H new ATOM 1283 N SER A 92 -1.431 -11.056 4.770 1.00 0.00 N ATOM 1284 CA SER A 92 -1.371 -12.409 5.311 1.00 0.00 C ATOM 1285 C SER A 92 -1.394 -13.443 4.189 1.00 0.00 C ATOM 1286 O SER A 92 -1.788 -13.144 3.062 1.00 0.00 O ATOM 1287 CB SER A 92 -2.540 -12.651 6.267 1.00 0.00 C ATOM 1288 OG SER A 92 -2.438 -11.829 7.417 1.00 0.00 O ATOM 0 H SER A 92 -2.289 -10.842 4.262 1.00 0.00 H new ATOM 0 HA SER A 92 -0.435 -12.514 5.860 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.481 -12.449 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.558 -13.699 6.566 1.00 0.00 H new ATOM 0 HG SER A 92 -3.198 -12.002 8.011 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.970 -14.662 4.508 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.943 -15.741 3.529 1.00 0.00 C ATOM 1296 C ILE A 93 -2.241 -16.540 3.555 1.00 0.00 C ATOM 1297 O ILE A 93 -2.798 -16.802 4.622 1.00 0.00 O ATOM 1298 CB ILE A 93 0.240 -16.696 3.776 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.560 -15.922 3.760 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.256 -17.801 2.731 1.00 0.00 C ATOM 1301 CD1 ILE A 93 2.755 -16.757 4.163 1.00 0.00 C ATOM 0 H ILE A 93 -0.641 -14.926 5.437 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.825 -15.276 2.550 1.00 0.00 H new ATOM 0 HB ILE A 93 0.120 -17.153 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.726 -15.524 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.480 -15.069 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.098 -18.468 2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.674 -18.367 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.356 -17.362 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.655 -16.144 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.611 -17.134 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.861 -17.596 3.475 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.716 -16.927 2.376 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.947 -17.699 2.265 1.00 0.00 C ATOM 1315 C ILE A 94 -3.669 -19.195 2.376 1.00 0.00 C ATOM 1316 O ILE A 94 -2.667 -19.690 1.861 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.668 -17.420 0.933 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -5.055 -15.943 0.837 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.899 -18.305 0.802 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.493 -15.522 -0.548 1.00 0.00 C ATOM 0 H ILE A 94 -2.267 -16.718 1.484 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.590 -17.389 3.089 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.988 -17.652 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.862 -15.741 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.205 -15.332 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.398 -18.096 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.599 -19.352 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.583 -18.101 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.752 -14.463 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.680 -15.692 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.363 -16.107 -0.848 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.565 -19.909 3.051 1.00 0.00 N ATOM 1333 CA GLU A 95 -4.416 -21.348 3.229 1.00 0.00 C ATOM 1334 C GLU A 95 -5.587 -22.098 2.599 1.00 0.00 C ATOM 1335 O GLU A 95 -6.547 -22.476 3.270 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.316 -21.694 4.716 1.00 0.00 C ATOM 1337 CG GLU A 95 -2.909 -21.569 5.276 1.00 0.00 C ATOM 1338 CD GLU A 95 -2.042 -22.769 4.949 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -2.352 -23.875 5.439 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -1.054 -22.603 4.204 1.00 0.00 O ATOM 0 H GLU A 95 -5.401 -19.514 3.483 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.497 -21.656 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.981 -21.039 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.669 -22.714 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.442 -20.669 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.962 -21.448 6.358 1.00 0.00 H new