USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 398 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 44 CYS SG : rot 150:sc= 1.83 USER MOD Set 1.2: A 47 CYS SG : rot -51:sc= -1.11 USER MOD Set 1.3: A 65 CYS SG : rot -131:sc= -2.93! USER MOD Set 1.4: A 68 CYS SG : rot 154:sc= 1.22 USER MOD Set 2.1: A 18 CYS SG : rot 20:sc= -1.34 USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.0133 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -3.62! C(o=-5.9!,f=-9.2!) USER MOD Set 2.4: A 41 CYS SG : rot -169:sc= -0.939 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -1:sc= 0.206 USER MOD Single : A 32 TYR OH : rot -156:sc= -3.53 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.0717 USER MOD Single : A 48 GLN : amide:sc= -0.821 K(o=-0.82,f=-1.9) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.506 11.087 -2.972 1.00 0.00 N ATOM 194 CA PRO A 16 2.653 10.140 -2.248 1.00 0.00 C ATOM 195 C PRO A 16 3.362 9.525 -1.046 1.00 0.00 C ATOM 196 O PRO A 16 4.580 9.344 -1.057 1.00 0.00 O ATOM 197 CB PRO A 16 2.347 9.066 -3.294 1.00 0.00 C ATOM 198 CG PRO A 16 3.487 9.132 -4.250 1.00 0.00 C ATOM 199 CD PRO A 16 3.909 10.575 -4.293 1.00 0.00 C ATOM 0 HA PRO A 16 1.765 10.622 -1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.270 8.079 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.399 9.260 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.308 8.495 -3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.188 8.783 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.983 10.675 -4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.415 11.114 -5.101 1.00 0.00 H new ATOM 207 N ARG A 17 2.592 9.206 -0.010 1.00 0.00 N ATOM 208 CA ARG A 17 3.147 8.612 1.200 1.00 0.00 C ATOM 209 C ARG A 17 2.384 7.348 1.585 1.00 0.00 C ATOM 210 O ARG A 17 1.159 7.292 1.474 1.00 0.00 O ATOM 211 CB ARG A 17 3.105 9.616 2.352 1.00 0.00 C ATOM 212 CG ARG A 17 3.808 10.928 2.043 1.00 0.00 C ATOM 213 CD ARG A 17 3.987 11.773 3.294 1.00 0.00 C ATOM 214 NE ARG A 17 4.404 13.137 2.979 1.00 0.00 N ATOM 215 CZ ARG A 17 4.702 14.046 3.901 1.00 0.00 C ATOM 216 NH1 ARG A 17 4.629 13.738 5.188 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.074 15.266 3.535 1.00 0.00 N ATOM 0 H ARG A 17 1.582 9.349 0.015 1.00 0.00 H new ATOM 0 HA ARG A 17 4.184 8.343 0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.065 9.822 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.565 9.166 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.782 10.724 1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.231 11.486 1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.050 11.800 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.729 11.308 3.942 1.00 0.00 H new ATOM 0 HE ARG A 17 4.470 13.406 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.343 12.801 5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.858 14.438 5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.131 15.506 2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.303 15.963 4.243 1.00 0.00 H new ATOM 231 N CYS A 18 3.116 6.335 2.036 1.00 0.00 N ATOM 232 CA CYS A 18 2.509 5.071 2.437 1.00 0.00 C ATOM 233 C CYS A 18 1.273 5.310 3.298 1.00 0.00 C ATOM 234 O CYS A 18 1.329 6.023 4.299 1.00 0.00 O ATOM 235 CB CYS A 18 3.521 4.216 3.203 1.00 0.00 C ATOM 236 SG CYS A 18 2.898 2.569 3.672 1.00 0.00 S ATOM 0 H CYS A 18 4.131 6.365 2.133 1.00 0.00 H new ATOM 0 HA CYS A 18 2.204 4.540 1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.415 4.094 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.822 4.749 4.105 1.00 0.00 H new ATOM 0 HG CYS A 18 1.880 2.261 2.924 1.00 0.00 H new ATOM 241 N ALA A 19 0.156 4.708 2.901 1.00 0.00 N ATOM 242 CA ALA A 19 -1.093 4.853 3.637 1.00 0.00 C ATOM 243 C ALA A 19 -0.977 4.261 5.038 1.00 0.00 C ATOM 244 O ALA A 19 -1.800 4.541 5.910 1.00 0.00 O ATOM 245 CB ALA A 19 -2.234 4.193 2.877 1.00 0.00 C ATOM 0 H ALA A 19 0.091 4.115 2.073 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.305 5.918 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.161 4.309 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.341 4.664 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.019 3.132 2.747 1.00 0.00 H new ATOM 251 N ARG A 20 0.049 3.443 5.246 1.00 0.00 N ATOM 252 CA ARG A 20 0.271 2.810 6.541 1.00 0.00 C ATOM 253 C ARG A 20 1.176 3.671 7.418 1.00 0.00 C ATOM 254 O ARG A 20 0.804 4.049 8.529 1.00 0.00 O ATOM 255 CB ARG A 20 0.891 1.424 6.356 1.00 0.00 C ATOM 256 CG ARG A 20 1.305 0.763 7.660 1.00 0.00 C ATOM 257 CD ARG A 20 0.096 0.319 8.468 1.00 0.00 C ATOM 258 NE ARG A 20 0.414 -0.790 9.365 1.00 0.00 N ATOM 259 CZ ARG A 20 -0.484 -1.672 9.789 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.748 -1.576 9.401 1.00 0.00 N ATOM 261 NH2 ARG A 20 -0.118 -2.653 10.604 1.00 0.00 N ATOM 0 H ARG A 20 0.740 3.203 4.535 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.694 2.705 7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.176 0.781 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.764 1.509 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.938 -0.098 7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.902 1.460 8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.279 1.160 9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.703 0.019 7.790 1.00 0.00 H new ATOM 0 HE ARG A 20 1.378 -0.892 9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.034 -0.823 8.775 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.435 -2.255 9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.853 -2.730 10.905 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.808 -3.330 10.929 1.00 0.00 H new ATOM 275 N CYS A 21 2.366 3.976 6.912 1.00 0.00 N ATOM 276 CA CYS A 21 3.325 4.791 7.648 1.00 0.00 C ATOM 277 C CYS A 21 3.180 6.265 7.283 1.00 0.00 C ATOM 278 O CYS A 21 3.255 7.139 8.146 1.00 0.00 O ATOM 279 CB CYS A 21 4.752 4.321 7.360 1.00 0.00 C ATOM 280 SG CYS A 21 4.914 2.518 7.150 1.00 0.00 S ATOM 0 H CYS A 21 2.690 3.671 5.994 1.00 0.00 H new ATOM 0 HA CYS A 21 3.120 4.677 8.712 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.110 4.815 6.457 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.400 4.641 8.176 1.00 0.00 H new ATOM 0 HG CYS A 21 6.156 2.219 6.908 1.00 0.00 H new ATOM 285 N SER A 22 2.971 6.533 5.998 1.00 0.00 N ATOM 286 CA SER A 22 2.818 7.902 5.518 1.00 0.00 C ATOM 287 C SER A 22 4.138 8.661 5.614 1.00 0.00 C ATOM 288 O SER A 22 4.185 9.788 6.108 1.00 0.00 O ATOM 289 CB SER A 22 1.738 8.629 6.321 1.00 0.00 C ATOM 290 OG SER A 22 1.180 9.697 5.574 1.00 0.00 O ATOM 0 H SER A 22 2.904 5.821 5.271 1.00 0.00 H new ATOM 0 HA SER A 22 2.517 7.863 4.471 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.953 7.926 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.165 9.013 7.247 1.00 0.00 H new ATOM 0 HG SER A 22 0.491 10.145 6.108 1.00 0.00 H new ATOM 296 N LYS A 23 5.209 8.036 5.137 1.00 0.00 N ATOM 297 CA LYS A 23 6.530 8.651 5.166 1.00 0.00 C ATOM 298 C LYS A 23 6.847 9.326 3.835 1.00 0.00 C ATOM 299 O LYS A 23 6.794 10.551 3.720 1.00 0.00 O ATOM 300 CB LYS A 23 7.597 7.601 5.484 1.00 0.00 C ATOM 301 CG LYS A 23 7.487 7.027 6.886 1.00 0.00 C ATOM 302 CD LYS A 23 8.698 6.179 7.238 1.00 0.00 C ATOM 303 CE LYS A 23 9.856 7.036 7.726 1.00 0.00 C ATOM 304 NZ LYS A 23 11.070 6.220 8.007 1.00 0.00 N ATOM 0 H LYS A 23 5.188 7.103 4.725 1.00 0.00 H new ATOM 0 HA LYS A 23 6.532 9.411 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.522 6.789 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.583 8.048 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.389 7.839 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.583 6.422 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.427 5.458 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.010 5.608 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.091 7.790 6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.559 7.568 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.837 6.840 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.853 5.517 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.369 5.732 7.139 1.00 0.00 H new ATOM 318 N THR A 24 7.174 8.518 2.831 1.00 0.00 N ATOM 319 CA THR A 24 7.498 9.037 1.508 1.00 0.00 C ATOM 320 C THR A 24 7.578 7.913 0.481 1.00 0.00 C ATOM 321 O THR A 24 7.924 6.779 0.813 1.00 0.00 O ATOM 322 CB THR A 24 8.833 9.805 1.517 1.00 0.00 C ATOM 323 OG1 THR A 24 9.743 9.194 2.439 1.00 0.00 O ATOM 324 CG2 THR A 24 8.617 11.261 1.900 1.00 0.00 C ATOM 0 H THR A 24 7.221 7.502 2.909 1.00 0.00 H new ATOM 0 HA THR A 24 6.696 9.721 1.232 1.00 0.00 H new ATOM 0 HB THR A 24 9.255 9.769 0.513 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.590 9.687 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.574 11.783 1.900 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.947 11.731 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.175 11.314 2.895 1.00 0.00 H new ATOM 332 N LEU A 25 7.257 8.235 -0.767 1.00 0.00 N ATOM 333 CA LEU A 25 7.294 7.251 -1.844 1.00 0.00 C ATOM 334 C LEU A 25 7.969 7.827 -3.085 1.00 0.00 C ATOM 335 O LEU A 25 7.335 8.506 -3.893 1.00 0.00 O ATOM 336 CB LEU A 25 5.876 6.791 -2.189 1.00 0.00 C ATOM 337 CG LEU A 25 5.195 5.887 -1.160 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.698 6.151 -1.126 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.474 4.423 -1.470 1.00 0.00 C ATOM 0 H LEU A 25 6.968 9.169 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 25 7.875 6.395 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.254 7.674 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.908 6.263 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 25 5.605 6.114 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.230 5.499 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.518 7.192 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.271 5.952 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.982 3.794 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.091 4.182 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.549 4.244 -1.442 1.00 0.00 H new ATOM 396 N VAL A 30 3.824 1.765 -4.909 1.00 0.00 N ATOM 397 CA VAL A 30 2.587 1.168 -5.397 1.00 0.00 C ATOM 398 C VAL A 30 1.369 1.840 -4.773 1.00 0.00 C ATOM 399 O VAL A 30 1.498 2.707 -3.908 1.00 0.00 O ATOM 400 CB VAL A 30 2.536 -0.342 -5.098 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.499 -1.098 -6.001 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.846 -0.606 -3.633 1.00 0.00 C ATOM 0 HA VAL A 30 2.568 1.318 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 30 1.527 -0.701 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.449 -2.163 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.225 -0.935 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.514 -0.739 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.805 -1.678 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.843 -0.233 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.112 -0.097 -3.008 1.00 0.00 H new ATOM 412 N THR A 31 0.183 1.433 -5.216 1.00 0.00 N ATOM 413 CA THR A 31 -1.059 1.996 -4.702 1.00 0.00 C ATOM 414 C THR A 31 -2.101 0.907 -4.470 1.00 0.00 C ATOM 415 O THR A 31 -2.419 0.136 -5.375 1.00 0.00 O ATOM 416 CB THR A 31 -1.640 3.049 -5.664 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.775 3.686 -5.067 1.00 0.00 O ATOM 418 CG2 THR A 31 -2.046 2.411 -6.984 1.00 0.00 C ATOM 0 H THR A 31 0.057 0.715 -5.930 1.00 0.00 H new ATOM 0 HA THR A 31 -0.819 2.475 -3.753 1.00 0.00 H new ATOM 0 HB THR A 31 -0.868 3.793 -5.861 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.946 3.292 -4.186 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.453 3.174 -7.647 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.174 1.953 -7.450 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.802 1.648 -6.802 1.00 0.00 H new ATOM 426 N TYR A 32 -2.629 0.851 -3.252 1.00 0.00 N ATOM 427 CA TYR A 32 -3.635 -0.145 -2.901 1.00 0.00 C ATOM 428 C TYR A 32 -4.943 0.524 -2.489 1.00 0.00 C ATOM 429 O TYR A 32 -4.996 1.253 -1.499 1.00 0.00 O ATOM 430 CB TYR A 32 -3.126 -1.036 -1.766 1.00 0.00 C ATOM 431 CG TYR A 32 -4.212 -1.855 -1.106 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.896 -2.836 -1.814 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.554 -1.648 0.224 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.889 -3.586 -1.215 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.545 -2.395 0.831 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.210 -3.363 0.108 1.00 0.00 C ATOM 437 OH TYR A 32 -7.198 -4.108 0.708 1.00 0.00 O ATOM 0 H TYR A 32 -2.377 1.483 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.823 -0.760 -3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.363 -1.708 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.645 -0.412 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.647 -3.015 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.036 -0.890 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.412 -4.344 -1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.798 -2.222 1.867 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.567 -3.611 1.468 1.00 0.00 H new ATOM 447 N ARG A 33 -5.997 0.269 -3.258 1.00 0.00 N ATOM 448 CA ARG A 33 -7.306 0.845 -2.975 1.00 0.00 C ATOM 449 C ARG A 33 -7.288 2.358 -3.174 1.00 0.00 C ATOM 450 O ARG A 33 -7.653 3.117 -2.275 1.00 0.00 O ATOM 451 CB ARG A 33 -7.735 0.513 -1.545 1.00 0.00 C ATOM 452 CG ARG A 33 -7.732 -0.975 -1.238 1.00 0.00 C ATOM 453 CD ARG A 33 -8.477 -1.280 0.052 1.00 0.00 C ATOM 454 NE ARG A 33 -7.850 -0.646 1.209 1.00 0.00 N ATOM 455 CZ ARG A 33 -8.529 -0.185 2.253 1.00 0.00 C ATOM 456 NH1 ARG A 33 -9.851 -0.286 2.285 1.00 0.00 N ATOM 457 NH2 ARG A 33 -7.887 0.379 3.268 1.00 0.00 N ATOM 0 H ARG A 33 -5.970 -0.332 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.024 0.412 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.068 1.020 -0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.736 0.909 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.193 -1.519 -2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.704 -1.329 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.508 -0.937 -0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.512 -2.359 0.204 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.834 -0.552 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.348 -0.719 1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.370 0.069 3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.870 0.459 3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.410 0.733 4.069 1.00 0.00 H new ATOM 471 N ASP A 34 -6.861 2.789 -4.356 1.00 0.00 N ATOM 472 CA ASP A 34 -6.796 4.211 -4.673 1.00 0.00 C ATOM 473 C ASP A 34 -5.995 4.967 -3.617 1.00 0.00 C ATOM 474 O ASP A 34 -6.322 6.103 -3.273 1.00 0.00 O ATOM 475 CB ASP A 34 -8.205 4.797 -4.779 1.00 0.00 C ATOM 476 CG ASP A 34 -8.983 4.226 -5.948 1.00 0.00 C ATOM 477 OD1 ASP A 34 -8.355 3.901 -6.977 1.00 0.00 O ATOM 478 OD2 ASP A 34 -10.220 4.103 -5.833 1.00 0.00 O ATOM 0 H ASP A 34 -6.555 2.174 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.292 4.321 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.748 4.600 -3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.138 5.880 -4.885 1.00 0.00 H new ATOM 483 N GLN A 35 -4.947 4.329 -3.108 1.00 0.00 N ATOM 484 CA GLN A 35 -4.101 4.942 -2.090 1.00 0.00 C ATOM 485 C GLN A 35 -2.669 4.425 -2.189 1.00 0.00 C ATOM 486 O GLN A 35 -2.424 3.263 -2.515 1.00 0.00 O ATOM 487 CB GLN A 35 -4.662 4.663 -0.695 1.00 0.00 C ATOM 488 CG GLN A 35 -5.927 5.445 -0.380 1.00 0.00 C ATOM 489 CD GLN A 35 -6.231 5.490 1.104 1.00 0.00 C ATOM 490 OE1 GLN A 35 -5.652 6.286 1.845 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.143 4.634 1.548 1.00 0.00 N ATOM 0 H GLN A 35 -4.663 3.389 -3.383 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.092 6.018 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.871 3.597 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.902 4.904 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.824 6.463 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.769 4.994 -0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.598 3.992 0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.389 4.618 2.538 1.00 0.00 H new ATOM 500 N PRO A 36 -1.700 5.306 -1.900 1.00 0.00 N ATOM 501 CA PRO A 36 -0.276 4.960 -1.949 1.00 0.00 C ATOM 502 C PRO A 36 0.127 4.003 -0.833 1.00 0.00 C ATOM 503 O PRO A 36 -0.162 4.245 0.339 1.00 0.00 O ATOM 504 CB PRO A 36 0.423 6.311 -1.773 1.00 0.00 C ATOM 505 CG PRO A 36 -0.561 7.154 -1.038 1.00 0.00 C ATOM 506 CD PRO A 36 -1.919 6.707 -1.504 1.00 0.00 C ATOM 0 HA PRO A 36 -0.013 4.445 -2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.352 6.206 -1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.681 6.752 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.457 7.026 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.404 8.212 -1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.663 6.789 -0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.276 7.310 -2.339 1.00 0.00 H new ATOM 514 N TRP A 37 0.795 2.917 -1.203 1.00 0.00 N ATOM 515 CA TRP A 37 1.238 1.923 -0.232 1.00 0.00 C ATOM 516 C TRP A 37 2.700 1.555 -0.458 1.00 0.00 C ATOM 517 O TRP A 37 3.207 1.643 -1.577 1.00 0.00 O ATOM 518 CB TRP A 37 0.364 0.671 -0.318 1.00 0.00 C ATOM 519 CG TRP A 37 -0.903 0.775 0.476 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.987 1.555 0.191 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.216 0.076 1.685 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.955 1.384 1.151 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.507 0.480 2.078 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.532 -0.854 2.474 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.124 -0.013 3.225 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.147 -1.342 3.611 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.432 -0.922 3.978 1.00 0.00 C ATOM 0 H TRP A 37 1.042 2.702 -2.169 1.00 0.00 H new ATOM 0 HA TRP A 37 1.142 2.356 0.764 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.115 0.481 -1.362 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.936 -0.187 0.035 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.071 2.210 -0.663 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.860 1.854 1.170 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.459 -1.185 2.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.114 0.311 3.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.628 -2.060 4.228 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.885 -1.323 4.872 1.00 0.00 H new ATOM 538 N HIS A 38 3.374 1.141 0.610 1.00 0.00 N ATOM 539 CA HIS A 38 4.779 0.758 0.527 1.00 0.00 C ATOM 540 C HIS A 38 4.925 -0.653 -0.034 1.00 0.00 C ATOM 541 O HIS A 38 4.415 -1.615 0.540 1.00 0.00 O ATOM 542 CB HIS A 38 5.435 0.842 1.906 1.00 0.00 C ATOM 543 CG HIS A 38 6.092 2.160 2.177 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.078 2.767 3.415 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.788 2.987 1.362 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.735 3.911 3.349 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.176 4.068 2.114 1.00 0.00 N ATOM 0 H HIS A 38 2.970 1.062 1.543 1.00 0.00 H new ATOM 0 HA HIS A 38 5.280 1.452 -0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.680 0.658 2.670 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.178 0.050 1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.999 2.826 0.315 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.886 4.601 4.166 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.717 4.863 1.774 1.00 0.00 H new ATOM 555 N ARG A 39 5.623 -0.768 -1.159 1.00 0.00 N ATOM 556 CA ARG A 39 5.834 -2.061 -1.799 1.00 0.00 C ATOM 557 C ARG A 39 6.063 -3.152 -0.757 1.00 0.00 C ATOM 558 O ARG A 39 5.596 -4.280 -0.914 1.00 0.00 O ATOM 559 CB ARG A 39 7.029 -1.993 -2.752 1.00 0.00 C ATOM 560 CG ARG A 39 6.650 -1.627 -4.178 1.00 0.00 C ATOM 561 CD ARG A 39 7.786 -0.908 -4.889 1.00 0.00 C ATOM 562 NE ARG A 39 8.728 -1.843 -5.498 1.00 0.00 N ATOM 563 CZ ARG A 39 9.795 -2.325 -4.871 1.00 0.00 C ATOM 564 NH1 ARG A 39 10.054 -1.962 -3.622 1.00 0.00 N ATOM 565 NH2 ARG A 39 10.606 -3.171 -5.492 1.00 0.00 N ATOM 0 H ARG A 39 6.052 0.019 -1.646 1.00 0.00 H new ATOM 0 HA ARG A 39 4.937 -2.308 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.742 -1.260 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.535 -2.958 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.388 -2.530 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.765 -0.991 -4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.376 -0.254 -5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.314 -0.272 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 39 8.557 -2.142 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.433 -1.311 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.874 -2.334 -3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.411 -3.452 -6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.425 -3.540 -5.009 1.00 0.00 H new ATOM 579 N GLU A 40 6.783 -2.807 0.306 1.00 0.00 N ATOM 580 CA GLU A 40 7.074 -3.758 1.372 1.00 0.00 C ATOM 581 C GLU A 40 5.861 -3.948 2.278 1.00 0.00 C ATOM 582 O GLU A 40 5.491 -5.074 2.613 1.00 0.00 O ATOM 583 CB GLU A 40 8.271 -3.282 2.198 1.00 0.00 C ATOM 584 CG GLU A 40 8.077 -1.906 2.813 1.00 0.00 C ATOM 585 CD GLU A 40 9.375 -1.304 3.316 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.390 -1.392 2.595 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.375 -0.745 4.433 1.00 0.00 O ATOM 0 H GLU A 40 7.175 -1.877 0.452 1.00 0.00 H new ATOM 0 HA GLU A 40 7.317 -4.716 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.463 -4.002 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.157 -3.265 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.635 -1.240 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.370 -1.978 3.639 1.00 0.00 H new ATOM 594 N CYS A 41 5.244 -2.838 2.672 1.00 0.00 N ATOM 595 CA CYS A 41 4.073 -2.880 3.539 1.00 0.00 C ATOM 596 C CYS A 41 2.932 -3.647 2.876 1.00 0.00 C ATOM 597 O CYS A 41 2.378 -4.582 3.456 1.00 0.00 O ATOM 598 CB CYS A 41 3.616 -1.461 3.883 1.00 0.00 C ATOM 599 SG CYS A 41 4.734 -0.574 5.015 1.00 0.00 S ATOM 0 H CYS A 41 5.536 -1.898 2.404 1.00 0.00 H new ATOM 0 HA CYS A 41 4.350 -3.398 4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.520 -0.888 2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.624 -1.509 4.333 1.00 0.00 H new ATOM 0 HG CYS A 41 4.159 0.517 5.427 1.00 0.00 H new ATOM 604 N LEU A 42 2.586 -3.246 1.658 1.00 0.00 N ATOM 605 CA LEU A 42 1.512 -3.894 0.915 1.00 0.00 C ATOM 606 C LEU A 42 1.704 -5.407 0.889 1.00 0.00 C ATOM 607 O LEU A 42 2.413 -5.939 0.034 1.00 0.00 O ATOM 608 CB LEU A 42 1.453 -3.351 -0.514 1.00 0.00 C ATOM 609 CG LEU A 42 0.391 -3.970 -1.424 1.00 0.00 C ATOM 610 CD1 LEU A 42 -1.004 -3.634 -0.922 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.574 -3.493 -2.857 1.00 0.00 C ATOM 0 H LEU A 42 3.034 -2.474 1.164 1.00 0.00 H new ATOM 0 HA LEU A 42 0.571 -3.674 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.280 -2.276 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.429 -3.496 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 42 0.510 -5.053 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.746 -4.083 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.132 -4.026 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.136 -2.552 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.190 -3.943 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.482 -2.407 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.561 -3.786 -3.215 1.00 0.00 H new ATOM 623 N VAL A 43 1.066 -6.096 1.830 1.00 0.00 N ATOM 624 CA VAL A 43 1.165 -7.549 1.913 1.00 0.00 C ATOM 625 C VAL A 43 -0.176 -8.170 2.289 1.00 0.00 C ATOM 626 O VAL A 43 -1.044 -7.503 2.853 1.00 0.00 O ATOM 627 CB VAL A 43 2.226 -7.982 2.942 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.591 -7.425 2.568 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.824 -7.537 4.340 1.00 0.00 C ATOM 0 H VAL A 43 0.475 -5.672 2.545 1.00 0.00 H new ATOM 0 HA VAL A 43 1.462 -7.903 0.926 1.00 0.00 H new ATOM 0 HB VAL A 43 2.290 -9.070 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.328 -7.741 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.879 -7.798 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.546 -6.336 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.585 -7.851 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.730 -6.451 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.868 -7.989 4.605 1.00 0.00 H new ATOM 639 N CYS A 44 -0.338 -9.450 1.975 1.00 0.00 N ATOM 640 CA CYS A 44 -1.573 -10.163 2.280 1.00 0.00 C ATOM 641 C CYS A 44 -1.883 -10.100 3.772 1.00 0.00 C ATOM 642 O CYS A 44 -0.982 -10.175 4.609 1.00 0.00 O ATOM 643 CB CYS A 44 -1.468 -11.622 1.831 1.00 0.00 C ATOM 644 SG CYS A 44 -2.961 -12.611 2.165 1.00 0.00 S ATOM 0 H CYS A 44 0.371 -10.016 1.509 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.386 -9.680 1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.260 -11.648 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.618 -12.085 2.333 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.076 -13.541 1.264 1.00 0.00 H new ATOM 649 N THR A 45 -3.164 -9.961 4.100 1.00 0.00 N ATOM 650 CA THR A 45 -3.593 -9.886 5.491 1.00 0.00 C ATOM 651 C THR A 45 -3.773 -11.278 6.086 1.00 0.00 C ATOM 652 O THR A 45 -4.460 -11.450 7.091 1.00 0.00 O ATOM 653 CB THR A 45 -4.915 -9.107 5.629 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.839 -7.880 4.894 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.217 -8.811 7.090 1.00 0.00 C ATOM 0 H THR A 45 -3.922 -9.898 3.421 1.00 0.00 H new ATOM 0 HA THR A 45 -2.810 -9.359 6.036 1.00 0.00 H new ATOM 0 HB THR A 45 -5.719 -9.723 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.840 -8.074 3.933 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.155 -8.260 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.302 -9.748 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.411 -8.213 7.514 1.00 0.00 H new ATOM 663 N GLY A 46 -3.149 -12.270 5.458 1.00 0.00 N ATOM 664 CA GLY A 46 -3.252 -13.635 5.941 1.00 0.00 C ATOM 665 C GLY A 46 -1.908 -14.333 5.999 1.00 0.00 C ATOM 666 O GLY A 46 -1.486 -14.798 7.058 1.00 0.00 O ATOM 0 H GLY A 46 -2.574 -12.153 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.700 -13.633 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.922 -14.197 5.291 1.00 0.00 H new ATOM 670 N CYS A 47 -1.232 -14.408 4.857 1.00 0.00 N ATOM 671 CA CYS A 47 0.071 -15.056 4.780 1.00 0.00 C ATOM 672 C CYS A 47 1.196 -14.027 4.851 1.00 0.00 C ATOM 673 O CYS A 47 2.368 -14.382 4.970 1.00 0.00 O ATOM 674 CB CYS A 47 0.187 -15.865 3.486 1.00 0.00 C ATOM 675 SG CYS A 47 -0.057 -14.883 1.971 1.00 0.00 S ATOM 0 H CYS A 47 -1.566 -14.027 3.972 1.00 0.00 H new ATOM 0 HA CYS A 47 0.164 -15.730 5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.171 -16.332 3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.547 -16.670 3.506 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.164 -14.208 2.065 1.00 0.00 H new ATOM 680 N GLN A 48 0.828 -12.752 4.778 1.00 0.00 N ATOM 681 CA GLN A 48 1.806 -11.671 4.834 1.00 0.00 C ATOM 682 C GLN A 48 2.763 -11.741 3.648 1.00 0.00 C ATOM 683 O GLN A 48 3.982 -11.686 3.816 1.00 0.00 O ATOM 684 CB GLN A 48 2.593 -11.735 6.144 1.00 0.00 C ATOM 685 CG GLN A 48 1.789 -11.297 7.358 1.00 0.00 C ATOM 686 CD GLN A 48 1.251 -9.886 7.224 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.009 -8.936 7.027 1.00 0.00 O ATOM 688 NE2 GLN A 48 -0.065 -9.742 7.331 1.00 0.00 N ATOM 0 H GLN A 48 -0.139 -12.442 4.680 1.00 0.00 H new ATOM 0 HA GLN A 48 1.268 -10.724 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.943 -12.756 6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.478 -11.105 6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.958 -11.986 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.417 -11.359 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.656 -10.557 7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.485 -8.816 7.250 1.00 0.00 H new ATOM 697 N THR A 49 2.203 -11.863 2.449 1.00 0.00 N ATOM 698 CA THR A 49 3.006 -11.942 1.235 1.00 0.00 C ATOM 699 C THR A 49 2.952 -10.635 0.453 1.00 0.00 C ATOM 700 O THR A 49 1.912 -9.981 0.363 1.00 0.00 O ATOM 701 CB THR A 49 2.536 -13.092 0.324 1.00 0.00 C ATOM 702 OG1 THR A 49 3.447 -13.255 -0.769 1.00 0.00 O ATOM 703 CG2 THR A 49 1.138 -12.822 -0.210 1.00 0.00 C ATOM 0 H THR A 49 1.196 -11.909 2.292 1.00 0.00 H new ATOM 0 HA THR A 49 4.033 -12.132 1.548 1.00 0.00 H new ATOM 0 HB THR A 49 2.511 -14.008 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.142 -13.989 -1.342 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.828 -13.647 -0.851 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.442 -12.728 0.624 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.141 -11.897 -0.786 1.00 0.00 H new ATOM 711 N PRO A 50 4.095 -10.243 -0.127 1.00 0.00 N ATOM 712 CA PRO A 50 4.203 -9.010 -0.913 1.00 0.00 C ATOM 713 C PRO A 50 3.447 -9.098 -2.235 1.00 0.00 C ATOM 714 O PRO A 50 3.829 -9.853 -3.131 1.00 0.00 O ATOM 715 CB PRO A 50 5.707 -8.880 -1.165 1.00 0.00 C ATOM 716 CG PRO A 50 6.228 -10.273 -1.080 1.00 0.00 C ATOM 717 CD PRO A 50 5.372 -10.974 -0.061 1.00 0.00 C ATOM 0 HA PRO A 50 3.769 -8.156 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.908 -8.441 -2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.178 -8.235 -0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.170 -10.771 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.276 -10.280 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.244 -12.029 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.812 -10.925 0.935 1.00 0.00 H new ATOM 725 N LEU A 51 2.376 -8.322 -2.352 1.00 0.00 N ATOM 726 CA LEU A 51 1.567 -8.312 -3.565 1.00 0.00 C ATOM 727 C LEU A 51 2.017 -7.203 -4.510 1.00 0.00 C ATOM 728 O LEU A 51 1.300 -6.839 -5.442 1.00 0.00 O ATOM 729 CB LEU A 51 0.089 -8.131 -3.215 1.00 0.00 C ATOM 730 CG LEU A 51 -0.439 -8.991 -2.067 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.575 -8.281 -1.346 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.899 -10.347 -2.583 1.00 0.00 C ATOM 0 H LEU A 51 2.047 -7.691 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 51 1.700 -9.270 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.079 -7.084 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.503 -8.345 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 51 0.372 -9.151 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.938 -8.909 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.215 -7.335 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.388 -8.090 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.272 -10.945 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.695 -10.207 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.060 -10.861 -3.053 1.00 0.00 H new ATOM 744 N ALA A 52 3.210 -6.671 -4.265 1.00 0.00 N ATOM 745 CA ALA A 52 3.757 -5.606 -5.096 1.00 0.00 C ATOM 746 C ALA A 52 3.585 -5.923 -6.578 1.00 0.00 C ATOM 747 O ALA A 52 4.407 -6.619 -7.173 1.00 0.00 O ATOM 748 CB ALA A 52 5.227 -5.384 -4.769 1.00 0.00 C ATOM 0 H ALA A 52 3.816 -6.960 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 52 3.206 -4.691 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.623 -4.586 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.328 -5.105 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.784 -6.302 -4.955 1.00 0.00 H new ATOM 754 N GLY A 53 2.510 -5.408 -7.168 1.00 0.00 N ATOM 755 CA GLY A 53 2.250 -5.648 -8.575 1.00 0.00 C ATOM 756 C GLY A 53 1.873 -7.089 -8.857 1.00 0.00 C ATOM 757 O GLY A 53 2.252 -7.646 -9.887 1.00 0.00 O ATOM 0 H GLY A 53 1.815 -4.829 -6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.446 -4.993 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.135 -5.387 -9.155 1.00 0.00 H new ATOM 761 N GLN A 54 1.127 -7.695 -7.939 1.00 0.00 N ATOM 762 CA GLN A 54 0.701 -9.081 -8.094 1.00 0.00 C ATOM 763 C GLN A 54 -0.818 -9.176 -8.193 1.00 0.00 C ATOM 764 O GLN A 54 -1.536 -8.299 -7.714 1.00 0.00 O ATOM 765 CB GLN A 54 1.201 -9.924 -6.920 1.00 0.00 C ATOM 766 CG GLN A 54 0.631 -11.333 -6.896 1.00 0.00 C ATOM 767 CD GLN A 54 1.517 -12.309 -6.148 1.00 0.00 C ATOM 768 OE1 GLN A 54 1.658 -12.101 -4.844 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 2.069 -13.240 -6.735 1.00 0.00 N flip ATOM 0 H GLN A 54 0.805 -7.248 -7.080 1.00 0.00 H new ATOM 0 HA GLN A 54 1.132 -9.466 -9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.289 -9.982 -6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.945 -9.421 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.355 -11.314 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.495 -11.683 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.933 -13.363 -7.738 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.662 -13.889 -6.218 1.00 0.00 H new ATOM 778 N GLN A 55 -1.299 -10.246 -8.818 1.00 0.00 N ATOM 779 CA GLN A 55 -2.733 -10.454 -8.980 1.00 0.00 C ATOM 780 C GLN A 55 -3.372 -10.894 -7.667 1.00 0.00 C ATOM 781 O GLN A 55 -3.171 -12.021 -7.214 1.00 0.00 O ATOM 782 CB GLN A 55 -2.998 -11.499 -10.065 1.00 0.00 C ATOM 783 CG GLN A 55 -4.409 -11.446 -10.629 1.00 0.00 C ATOM 784 CD GLN A 55 -4.555 -12.240 -11.912 1.00 0.00 C ATOM 785 OE1 GLN A 55 -4.581 -11.675 -13.006 1.00 0.00 O ATOM 786 NE2 GLN A 55 -4.651 -13.559 -11.785 1.00 0.00 N ATOM 0 H GLN A 55 -0.717 -10.981 -9.220 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.180 -9.506 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.285 -11.356 -10.877 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.817 -12.492 -9.653 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.108 -11.831 -9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.683 -10.408 -10.816 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.625 -13.985 -10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.751 -14.145 -12.614 1.00 0.00 H new ATOM 795 N PHE A 56 -4.141 -9.997 -7.059 1.00 0.00 N ATOM 796 CA PHE A 56 -4.808 -10.293 -5.796 1.00 0.00 C ATOM 797 C PHE A 56 -6.132 -9.541 -5.692 1.00 0.00 C ATOM 798 O PHE A 56 -6.501 -8.782 -6.588 1.00 0.00 O ATOM 799 CB PHE A 56 -3.904 -9.922 -4.619 1.00 0.00 C ATOM 800 CG PHE A 56 -3.732 -8.441 -4.438 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.660 -7.705 -3.718 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.643 -7.784 -4.987 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.505 -6.342 -3.551 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.482 -6.421 -4.823 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.414 -5.700 -4.103 1.00 0.00 C ATOM 0 H PHE A 56 -4.318 -9.060 -7.420 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.014 -11.363 -5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.319 -10.346 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.925 -10.378 -4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.514 -8.202 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.911 -8.344 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.236 -5.780 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.629 -5.921 -5.257 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.290 -4.635 -3.972 1.00 0.00 H new ATOM 815 N THR A 57 -6.844 -9.759 -4.590 1.00 0.00 N ATOM 816 CA THR A 57 -8.128 -9.105 -4.368 1.00 0.00 C ATOM 817 C THR A 57 -8.221 -8.543 -2.954 1.00 0.00 C ATOM 818 O THR A 57 -7.462 -8.937 -2.068 1.00 0.00 O ATOM 819 CB THR A 57 -9.301 -10.076 -4.601 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.544 -9.411 -4.351 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.181 -11.295 -3.698 1.00 0.00 C ATOM 0 H THR A 57 -6.553 -10.383 -3.838 1.00 0.00 H new ATOM 0 HA THR A 57 -8.195 -8.288 -5.086 1.00 0.00 H new ATOM 0 HB THR A 57 -9.270 -10.408 -5.639 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.285 -10.034 -4.503 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.020 -11.967 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.247 -11.815 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.190 -10.978 -2.655 1.00 0.00 H new ATOM 829 N SER A 58 -9.156 -7.621 -2.749 1.00 0.00 N ATOM 830 CA SER A 58 -9.346 -7.002 -1.443 1.00 0.00 C ATOM 831 C SER A 58 -10.702 -7.380 -0.855 1.00 0.00 C ATOM 832 O SER A 58 -11.690 -7.512 -1.579 1.00 0.00 O ATOM 833 CB SER A 58 -9.231 -5.481 -1.554 1.00 0.00 C ATOM 834 OG SER A 58 -10.064 -4.981 -2.585 1.00 0.00 O ATOM 0 H SER A 58 -9.794 -7.286 -3.471 1.00 0.00 H new ATOM 0 HA SER A 58 -8.566 -7.370 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.507 -5.022 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.195 -5.205 -1.753 1.00 0.00 H new ATOM 0 HG SER A 58 -9.974 -4.006 -2.635 1.00 0.00 H new ATOM 840 N ARG A 59 -10.742 -7.552 0.462 1.00 0.00 N ATOM 841 CA ARG A 59 -11.976 -7.916 1.148 1.00 0.00 C ATOM 842 C ARG A 59 -12.099 -7.174 2.476 1.00 0.00 C ATOM 843 O ARG A 59 -11.147 -7.111 3.253 1.00 0.00 O ATOM 844 CB ARG A 59 -12.025 -9.426 1.388 1.00 0.00 C ATOM 845 CG ARG A 59 -13.271 -9.884 2.129 1.00 0.00 C ATOM 846 CD ARG A 59 -14.392 -10.242 1.166 1.00 0.00 C ATOM 847 NE ARG A 59 -15.182 -9.074 0.787 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.502 -9.096 0.638 1.00 0.00 C ATOM 849 NH1 ARG A 59 -17.176 -10.221 0.835 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.150 -7.991 0.291 1.00 0.00 N ATOM 0 H ARG A 59 -9.934 -7.445 1.075 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.814 -7.629 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.974 -9.940 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.144 -9.724 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.031 -10.749 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.606 -9.095 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.969 -10.699 0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.042 -10.985 1.627 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.694 -8.193 0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.681 -11.072 1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.189 -10.235 0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.635 -7.124 0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.163 -8.009 0.177 1.00 0.00 H new ATOM 864 N ASP A 60 -13.277 -6.615 2.728 1.00 0.00 N ATOM 865 CA ASP A 60 -13.525 -5.878 3.962 1.00 0.00 C ATOM 866 C ASP A 60 -12.409 -4.872 4.227 1.00 0.00 C ATOM 867 O ASP A 60 -11.973 -4.702 5.365 1.00 0.00 O ATOM 868 CB ASP A 60 -13.650 -6.843 5.141 1.00 0.00 C ATOM 869 CG ASP A 60 -14.509 -8.049 4.814 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.614 -7.859 4.263 1.00 0.00 O ATOM 871 OD2 ASP A 60 -14.076 -9.183 5.109 1.00 0.00 O ATOM 0 H ASP A 60 -14.075 -6.658 2.095 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.462 -5.333 3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.657 -7.178 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.078 -6.316 5.994 1.00 0.00 H new ATOM 876 N GLU A 61 -11.952 -4.210 3.169 1.00 0.00 N ATOM 877 CA GLU A 61 -10.886 -3.222 3.289 1.00 0.00 C ATOM 878 C GLU A 61 -9.583 -3.881 3.733 1.00 0.00 C ATOM 879 O GLU A 61 -8.909 -3.396 4.643 1.00 0.00 O ATOM 880 CB GLU A 61 -11.282 -2.129 4.284 1.00 0.00 C ATOM 881 CG GLU A 61 -12.602 -1.454 3.951 1.00 0.00 C ATOM 882 CD GLU A 61 -12.658 -0.015 4.428 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.979 0.838 3.819 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.380 0.257 5.410 1.00 0.00 O ATOM 0 H GLU A 61 -12.303 -4.340 2.220 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.731 -2.771 2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.347 -2.563 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.495 -1.375 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.758 -1.482 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.418 -2.016 4.406 1.00 0.00 H new ATOM 891 N ASP A 62 -9.235 -4.987 3.085 1.00 0.00 N ATOM 892 CA ASP A 62 -8.012 -5.712 3.412 1.00 0.00 C ATOM 893 C ASP A 62 -7.482 -6.459 2.193 1.00 0.00 C ATOM 894 O ASP A 62 -8.180 -7.264 1.575 1.00 0.00 O ATOM 895 CB ASP A 62 -8.267 -6.694 4.557 1.00 0.00 C ATOM 896 CG ASP A 62 -8.466 -5.994 5.887 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.514 -5.340 6.362 1.00 0.00 O ATOM 898 OD2 ASP A 62 -9.574 -6.099 6.452 1.00 0.00 O ATOM 0 H ASP A 62 -9.782 -5.401 2.330 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.261 -4.987 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.149 -7.292 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.426 -7.383 4.635 1.00 0.00 H new ATOM 903 N PRO A 63 -6.217 -6.189 1.836 1.00 0.00 N ATOM 904 CA PRO A 63 -5.565 -6.825 0.688 1.00 0.00 C ATOM 905 C PRO A 63 -5.284 -8.304 0.927 1.00 0.00 C ATOM 906 O PRO A 63 -4.480 -8.662 1.788 1.00 0.00 O ATOM 907 CB PRO A 63 -4.254 -6.047 0.549 1.00 0.00 C ATOM 908 CG PRO A 63 -3.982 -5.517 1.914 1.00 0.00 C ATOM 909 CD PRO A 63 -5.327 -5.241 2.527 1.00 0.00 C ATOM 0 HA PRO A 63 -6.191 -6.796 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.445 -6.692 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.348 -5.240 -0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.423 -6.239 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.381 -4.609 1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.320 -5.408 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.637 -4.208 2.367 1.00 0.00 H new ATOM 917 N TYR A 64 -5.951 -9.160 0.160 1.00 0.00 N ATOM 918 CA TYR A 64 -5.775 -10.601 0.290 1.00 0.00 C ATOM 919 C TYR A 64 -5.325 -11.216 -1.031 1.00 0.00 C ATOM 920 O TYR A 64 -5.804 -10.839 -2.101 1.00 0.00 O ATOM 921 CB TYR A 64 -7.077 -11.256 0.753 1.00 0.00 C ATOM 922 CG TYR A 64 -7.341 -11.100 2.234 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.686 -11.898 3.164 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.244 -10.153 2.703 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.924 -11.759 4.518 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.487 -10.006 4.054 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.825 -10.812 4.958 1.00 0.00 C ATOM 928 OH TYR A 64 -8.064 -10.669 6.305 1.00 0.00 O ATOM 0 H TYR A 64 -6.619 -8.880 -0.558 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.001 -10.781 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.909 -10.824 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.047 -12.318 0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.979 -12.640 2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.764 -9.521 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.407 -12.388 5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.191 -9.265 4.402 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.724 -9.958 6.447 1.00 0.00 H new ATOM 938 N CYS A 65 -4.400 -12.167 -0.949 1.00 0.00 N ATOM 939 CA CYS A 65 -3.883 -12.836 -2.137 1.00 0.00 C ATOM 940 C CYS A 65 -4.802 -13.979 -2.560 1.00 0.00 C ATOM 941 O CYS A 65 -5.501 -14.567 -1.734 1.00 0.00 O ATOM 942 CB CYS A 65 -2.474 -13.371 -1.874 1.00 0.00 C ATOM 943 SG CYS A 65 -2.436 -14.972 -1.005 1.00 0.00 S ATOM 0 H CYS A 65 -3.993 -12.492 -0.072 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.842 -12.107 -2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.953 -13.474 -2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.922 -12.637 -1.286 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.598 -14.907 -0.013 1.00 0.00 H new ATOM 948 N VAL A 66 -4.795 -14.289 -3.853 1.00 0.00 N ATOM 949 CA VAL A 66 -5.626 -15.362 -4.386 1.00 0.00 C ATOM 950 C VAL A 66 -5.525 -16.615 -3.524 1.00 0.00 C ATOM 951 O VAL A 66 -6.516 -17.311 -3.304 1.00 0.00 O ATOM 952 CB VAL A 66 -5.229 -15.713 -5.832 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.146 -16.790 -6.391 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.257 -14.470 -6.709 1.00 0.00 C ATOM 0 H VAL A 66 -4.223 -13.812 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.654 -15.001 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.211 -16.103 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.850 -17.025 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.071 -17.687 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.175 -16.431 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.974 -14.737 -7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.262 -14.048 -6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.555 -13.733 -6.318 1.00 0.00 H new ATOM 964 N ALA A 67 -4.321 -16.897 -3.039 1.00 0.00 N ATOM 965 CA ALA A 67 -4.090 -18.066 -2.198 1.00 0.00 C ATOM 966 C ALA A 67 -4.953 -18.018 -0.942 1.00 0.00 C ATOM 967 O ALA A 67 -5.475 -19.040 -0.495 1.00 0.00 O ATOM 968 CB ALA A 67 -2.618 -18.166 -1.826 1.00 0.00 C ATOM 0 H ALA A 67 -3.490 -16.332 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.371 -18.953 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.460 -19.043 -1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.019 -18.256 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.319 -17.271 -1.281 1.00 0.00 H new ATOM 974 N CYS A 68 -5.100 -16.825 -0.376 1.00 0.00 N ATOM 975 CA CYS A 68 -5.899 -16.643 0.830 1.00 0.00 C ATOM 976 C CYS A 68 -7.378 -16.494 0.485 1.00 0.00 C ATOM 977 O CYS A 68 -8.228 -17.196 1.034 1.00 0.00 O ATOM 978 CB CYS A 68 -5.419 -15.414 1.604 1.00 0.00 C ATOM 979 SG CYS A 68 -3.921 -15.701 2.600 1.00 0.00 S ATOM 0 H CYS A 68 -4.676 -15.969 -0.734 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.776 -17.528 1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.224 -14.607 0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.220 -15.076 2.261 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.288 -14.578 2.765 1.00 0.00 H new ATOM 984 N PHE A 69 -7.678 -15.577 -0.428 1.00 0.00 N ATOM 985 CA PHE A 69 -9.054 -15.336 -0.846 1.00 0.00 C ATOM 986 C PHE A 69 -9.788 -16.652 -1.087 1.00 0.00 C ATOM 987 O PHE A 69 -10.892 -16.860 -0.585 1.00 0.00 O ATOM 988 CB PHE A 69 -9.081 -14.484 -2.117 1.00 0.00 C ATOM 989 CG PHE A 69 -10.464 -14.070 -2.532 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.155 -13.104 -1.820 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.073 -14.649 -3.634 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.428 -12.721 -2.199 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.345 -14.270 -4.018 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.024 -13.305 -3.299 1.00 0.00 C ATOM 0 H PHE A 69 -6.987 -14.988 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.562 -14.799 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.475 -13.592 -1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.619 -15.044 -2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.694 -12.644 -0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.548 -15.405 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.956 -11.966 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.808 -14.728 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.019 -13.008 -3.597 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.166 -17.537 -1.859 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.774 -18.821 -2.154 1.00 0.00 C ATOM 1006 C GLY A 70 -9.411 -19.882 -1.135 1.00 0.00 C ATOM 1007 O GLY A 70 -9.367 -21.070 -1.455 1.00 0.00 O ATOM 0 H GLY A 70 -8.252 -17.388 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.858 -18.708 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.459 -19.150 -3.144 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.149 -19.453 0.096 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.785 -20.377 1.165 1.00 0.00 C ATOM 1013 C GLU A 71 -9.544 -20.050 2.448 1.00 0.00 C ATOM 1014 O GLU A 71 -10.067 -20.941 3.117 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.278 -20.324 1.423 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.479 -21.293 0.567 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.633 -22.732 1.018 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -7.755 -23.270 0.917 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -5.629 -23.322 1.472 1.00 0.00 O ATOM 0 H GLU A 71 -9.182 -18.473 0.378 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.057 -21.384 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.922 -19.311 1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.090 -20.541 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.800 -21.205 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.425 -21.017 0.599 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.598 -18.766 2.785 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.293 -18.320 3.988 1.00 0.00 C ATOM 1028 C LEU A 72 -11.797 -18.237 3.750 1.00 0.00 C ATOM 1029 O LEU A 72 -12.582 -18.890 4.439 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.760 -16.956 4.432 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.395 -16.961 5.120 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.298 -17.321 4.130 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.115 -15.608 5.760 1.00 0.00 C ATOM 0 H LEU A 72 -9.169 -18.016 2.243 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.109 -19.050 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.701 -16.309 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.485 -16.508 5.111 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.409 -17.717 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.334 -17.319 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.490 -18.312 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.283 -16.590 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.139 -15.630 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.121 -14.834 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.884 -15.390 6.501 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.193 -17.434 2.768 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.603 -17.267 2.438 1.00 0.00 C ATOM 1047 C PHE A 73 -14.120 -18.462 1.642 1.00 0.00 C ATOM 1048 O PHE A 73 -15.208 -18.973 1.906 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.813 -15.979 1.639 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.069 -14.800 2.197 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.565 -14.105 3.289 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.874 -14.386 1.631 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.882 -13.019 3.804 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.188 -13.301 2.142 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.692 -12.617 3.231 1.00 0.00 C ATOM 0 H PHE A 73 -11.557 -16.889 2.187 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.164 -17.203 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.496 -16.144 0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.878 -15.747 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.495 -14.415 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.474 -14.918 0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.279 -12.485 4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.258 -12.988 1.690 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.156 -11.770 3.633 1.00 0.00 H new