USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 : B 16 CYS SG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc=-0.00603 USER MOD Single : B 22 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.3!) USER MOD Single : B 30 LYS NZ :NH3+ -166:sc= -0.0382 (180deg=-0.275) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0995) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -139:sc= -1.17 (180deg=-3.04!) USER MOD Single : B 49 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N CYS B 16 12.595 -1.104 -0.836 1.00 0.00 N ATOM 139 CA CYS B 16 13.669 -0.466 -1.589 1.00 0.00 C ATOM 140 C CYS B 16 13.607 1.062 -1.519 1.00 0.00 C ATOM 141 O CYS B 16 14.359 1.735 -2.224 1.00 0.00 O ATOM 142 CB CYS B 16 13.678 -0.969 -3.036 1.00 0.00 C ATOM 143 SG CYS B 16 13.977 -2.757 -3.041 1.00 0.00 S ATOM 0 HA CYS B 16 14.612 -0.750 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS B 16 12.726 -0.746 -3.518 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.452 -0.457 -3.607 1.00 0.00 H new ATOM 0 HG CYS B 16 13.984 -3.192 -4.266 1.00 0.00 H new ATOM 149 N ARG B 17 12.726 1.616 -0.679 1.00 0.00 N ATOM 150 CA ARG B 17 12.623 3.055 -0.503 1.00 0.00 C ATOM 151 C ARG B 17 13.348 3.523 0.751 1.00 0.00 C ATOM 152 O ARG B 17 13.428 2.796 1.739 1.00 0.00 O ATOM 153 CB ARG B 17 11.154 3.493 -0.472 1.00 0.00 C ATOM 154 CG ARG B 17 10.561 3.416 -1.878 1.00 0.00 C ATOM 155 CD ARG B 17 9.147 3.999 -1.908 1.00 0.00 C ATOM 156 NE ARG B 17 8.593 3.925 -3.264 1.00 0.00 N ATOM 157 CZ ARG B 17 7.293 3.817 -3.544 1.00 0.00 C ATOM 158 NH1 ARG B 17 6.383 3.834 -2.572 1.00 0.00 N ATOM 159 NH2 ARG B 17 6.905 3.690 -4.807 1.00 0.00 N ATOM 0 H ARG B 17 12.073 1.078 -0.110 1.00 0.00 H new ATOM 0 HA ARG B 17 13.109 3.525 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.589 2.854 0.206 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.077 4.511 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.198 3.960 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.538 2.378 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.506 3.452 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.167 5.036 -1.572 1.00 0.00 H new ATOM 0 HE ARG B 17 9.246 3.958 -4.047 1.00 0.00 H new ATOM 0 HH11 ARG B 17 6.677 3.930 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG B 17 5.392 3.751 -2.799 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.599 3.676 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG B 17 5.913 3.607 -5.030 1.00 0.00 H new ATOM 173 N ILE B 18 13.872 4.750 0.693 1.00 0.00 N ATOM 174 CA ILE B 18 14.496 5.414 1.833 1.00 0.00 C ATOM 175 C ILE B 18 13.987 6.849 1.901 1.00 0.00 C ATOM 176 O ILE B 18 13.146 7.252 1.101 1.00 0.00 O ATOM 177 CB ILE B 18 16.025 5.381 1.710 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.508 6.337 0.611 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.520 3.961 1.446 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.023 6.520 0.682 1.00 0.00 C ATOM 0 H ILE B 18 13.873 5.314 -0.157 1.00 0.00 H new ATOM 0 HA ILE B 18 14.232 4.891 2.752 1.00 0.00 H new ATOM 0 HB ILE B 18 16.444 5.716 2.659 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.230 5.945 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.015 7.303 0.720 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.607 3.964 1.363 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.221 3.312 2.269 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.086 3.591 0.517 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.345 7.201 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.294 6.934 1.653 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.513 5.555 0.549 1.00 0.00 H new ATOM 192 N TYR B 19 14.504 7.619 2.859 1.00 0.00 N ATOM 193 CA TYR B 19 14.079 8.992 3.089 1.00 0.00 C ATOM 194 C TYR B 19 15.188 10.027 2.921 1.00 0.00 C ATOM 195 O TYR B 19 16.351 9.759 3.217 1.00 0.00 O ATOM 196 CB TYR B 19 13.318 9.111 4.414 1.00 0.00 C ATOM 197 CG TYR B 19 13.446 10.459 5.086 1.00 0.00 C ATOM 198 CD1 TYR B 19 14.579 10.726 5.867 1.00 0.00 C ATOM 199 CD2 TYR B 19 12.442 11.430 4.947 1.00 0.00 C ATOM 200 CE1 TYR B 19 14.717 11.960 6.509 1.00 0.00 C ATOM 201 CE2 TYR B 19 12.574 12.671 5.591 1.00 0.00 C ATOM 202 CZ TYR B 19 13.721 12.944 6.361 1.00 0.00 C ATOM 203 OH TYR B 19 13.875 14.147 6.977 1.00 0.00 O ATOM 0 H TYR B 19 15.233 7.302 3.498 1.00 0.00 H new ATOM 0 HA TYR B 19 13.380 9.243 2.291 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.263 8.907 4.233 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.679 8.342 5.097 1.00 0.00 H new ATOM 0 HD1 TYR B 19 15.348 9.975 5.973 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.569 11.223 4.346 1.00 0.00 H new ATOM 0 HE1 TYR B 19 15.587 12.158 7.118 1.00 0.00 H new ATOM 0 HE2 TYR B 19 11.797 13.415 5.496 1.00 0.00 H new ATOM 0 HH TYR B 19 13.104 14.718 6.777 1.00 0.00 H new ATOM 213 N VAL B 20 14.811 11.213 2.441 1.00 0.00 N ATOM 214 CA VAL B 20 15.732 12.319 2.265 1.00 0.00 C ATOM 215 C VAL B 20 15.051 13.618 2.671 1.00 0.00 C ATOM 216 O VAL B 20 13.873 13.812 2.375 1.00 0.00 O ATOM 217 CB VAL B 20 16.232 12.378 0.814 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.285 13.476 0.662 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.850 11.045 0.393 1.00 0.00 C ATOM 0 H VAL B 20 13.853 11.427 2.164 1.00 0.00 H new ATOM 0 HA VAL B 20 16.602 12.171 2.905 1.00 0.00 H new ATOM 0 HB VAL B 20 15.374 12.593 0.177 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.631 13.507 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.848 14.439 0.928 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.128 13.266 1.321 1.00 0.00 H new ATOM 0 HG21 VAL B 20 17.196 11.114 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.693 10.813 1.044 1.00 0.00 H new ATOM 0 HG23 VAL B 20 16.102 10.256 0.473 1.00 0.00 H new ATOM 229 N GLY B 21 15.785 14.504 3.346 1.00 0.00 N ATOM 230 CA GLY B 21 15.233 15.751 3.846 1.00 0.00 C ATOM 231 C GLY B 21 16.243 16.885 3.742 1.00 0.00 C ATOM 232 O GLY B 21 17.422 16.662 3.457 1.00 0.00 O ATOM 0 H GLY B 21 16.774 14.373 3.558 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.337 16.007 3.281 1.00 0.00 H new ATOM 0 HA3 GLY B 21 14.930 15.626 4.885 1.00 0.00 H new ATOM 236 N ASN B 22 15.760 18.112 3.977 1.00 0.00 N ATOM 237 CA ASN B 22 16.546 19.330 3.842 1.00 0.00 C ATOM 238 C ASN B 22 17.049 19.517 2.407 1.00 0.00 C ATOM 239 O ASN B 22 18.122 20.083 2.194 1.00 0.00 O ATOM 240 CB ASN B 22 17.700 19.323 4.847 1.00 0.00 C ATOM 241 CG ASN B 22 18.249 20.728 5.057 1.00 0.00 C ATOM 242 OD1 ASN B 22 17.503 21.699 5.061 1.00 0.00 O ATOM 243 ND2 ASN B 22 19.564 20.836 5.234 1.00 0.00 N ATOM 0 H ASN B 22 14.798 18.281 4.270 1.00 0.00 H new ATOM 0 HA ASN B 22 15.903 20.182 4.064 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.356 18.917 5.798 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.494 18.668 4.489 1.00 0.00 H new ATOM 0 HD21 ASN B 22 19.985 21.753 5.380 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.150 20.001 5.224 1.00 0.00 H new ATOM 250 N LEU B 23 16.280 19.049 1.419 1.00 0.00 N ATOM 251 CA LEU B 23 16.649 19.199 0.019 1.00 0.00 C ATOM 252 C LEU B 23 16.650 20.686 -0.353 1.00 0.00 C ATOM 253 O LEU B 23 15.730 21.414 0.016 1.00 0.00 O ATOM 254 CB LEU B 23 15.655 18.440 -0.863 1.00 0.00 C ATOM 255 CG LEU B 23 15.821 16.924 -0.725 1.00 0.00 C ATOM 256 CD1 LEU B 23 14.659 16.214 -1.417 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.130 16.480 -1.379 1.00 0.00 C ATOM 0 H LEU B 23 15.396 18.562 1.570 1.00 0.00 H new ATOM 0 HA LEU B 23 17.646 18.789 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.638 18.721 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU B 23 15.798 18.729 -1.904 1.00 0.00 H new ATOM 0 HG LEU B 23 15.835 16.668 0.334 1.00 0.00 H new ATOM 0 HD11 LEU B 23 14.780 15.135 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU B 23 13.720 16.518 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.647 16.481 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.240 15.400 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.116 16.744 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU B 23 17.968 16.978 -0.891 1.00 0.00 H new ATOM 366 N LYS B 30 15.867 17.373 -13.037 1.00 0.00 N ATOM 367 CA LYS B 30 16.371 16.150 -13.647 1.00 0.00 C ATOM 368 C LYS B 30 17.712 15.750 -13.042 1.00 0.00 C ATOM 369 O LYS B 30 18.033 14.567 -12.994 1.00 0.00 O ATOM 370 CB LYS B 30 16.495 16.365 -15.159 1.00 0.00 C ATOM 371 CG LYS B 30 16.968 15.108 -15.892 1.00 0.00 C ATOM 372 CD LYS B 30 15.931 13.991 -15.760 1.00 0.00 C ATOM 373 CE LYS B 30 16.405 12.722 -16.472 1.00 0.00 C ATOM 374 NZ LYS B 30 16.600 12.951 -17.916 1.00 0.00 N ATOM 0 HA LYS B 30 15.673 15.335 -13.453 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.529 16.674 -15.559 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.194 17.179 -15.351 1.00 0.00 H new ATOM 0 HG2 LYS B 30 17.135 15.335 -16.945 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.922 14.777 -15.482 1.00 0.00 H new ATOM 0 HD2 LYS B 30 15.753 13.777 -14.706 1.00 0.00 H new ATOM 0 HD3 LYS B 30 14.982 14.318 -16.184 1.00 0.00 H new ATOM 0 HE2 LYS B 30 17.340 12.382 -16.027 1.00 0.00 H new ATOM 0 HE3 LYS B 30 15.674 11.927 -16.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 16.687 12.037 -18.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 15.784 13.471 -18.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 17.466 13.507 -18.065 1.00 0.00 H new ATOM 388 N ASP B 31 18.495 16.723 -12.567 1.00 0.00 N ATOM 389 CA ASP B 31 19.732 16.414 -11.861 1.00 0.00 C ATOM 390 C ASP B 31 19.419 15.663 -10.568 1.00 0.00 C ATOM 391 O ASP B 31 20.288 14.996 -10.011 1.00 0.00 O ATOM 392 CB ASP B 31 20.525 17.687 -11.569 1.00 0.00 C ATOM 393 CG ASP B 31 20.980 18.405 -12.841 1.00 0.00 C ATOM 394 OD1 ASP B 31 21.693 19.421 -12.690 1.00 0.00 O ATOM 395 OD2 ASP B 31 20.618 17.944 -13.947 1.00 0.00 O ATOM 0 H ASP B 31 18.294 17.719 -12.659 1.00 0.00 H new ATOM 0 HA ASP B 31 20.347 15.777 -12.497 1.00 0.00 H new ATOM 0 HB2 ASP B 31 19.911 18.364 -10.975 1.00 0.00 H new ATOM 0 HB3 ASP B 31 21.398 17.436 -10.967 1.00 0.00 H new ATOM 400 N ILE B 32 18.169 15.784 -10.105 1.00 0.00 N ATOM 401 CA ILE B 32 17.704 15.148 -8.879 1.00 0.00 C ATOM 402 C ILE B 32 17.624 13.627 -9.044 1.00 0.00 C ATOM 403 O ILE B 32 17.507 12.914 -8.048 1.00 0.00 O ATOM 404 CB ILE B 32 16.338 15.735 -8.500 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.903 15.208 -7.130 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.282 15.382 -9.557 1.00 0.00 C ATOM 407 CD1 ILE B 32 14.734 16.023 -6.579 1.00 0.00 C ATOM 0 H ILE B 32 17.451 16.332 -10.579 1.00 0.00 H new ATOM 0 HA ILE B 32 18.416 15.346 -8.078 1.00 0.00 H new ATOM 0 HB ILE B 32 16.431 16.820 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.614 14.160 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE B 32 16.742 15.252 -6.436 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.321 15.808 -9.268 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.584 15.788 -10.522 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.190 14.298 -9.632 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.443 15.629 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE B 32 15.035 17.065 -6.474 1.00 0.00 H new ATOM 0 HD13 ILE B 32 13.889 15.956 -7.264 1.00 0.00 H new ATOM 419 N GLU B 33 17.686 13.114 -10.279 1.00 0.00 N ATOM 420 CA GLU B 33 17.687 11.674 -10.492 1.00 0.00 C ATOM 421 C GLU B 33 18.838 11.238 -11.400 1.00 0.00 C ATOM 422 O GLU B 33 19.096 10.043 -11.521 1.00 0.00 O ATOM 423 CB GLU B 33 16.326 11.216 -11.030 1.00 0.00 C ATOM 424 CG GLU B 33 16.034 11.803 -12.412 1.00 0.00 C ATOM 425 CD GLU B 33 14.684 11.315 -12.948 1.00 0.00 C ATOM 426 OE1 GLU B 33 14.054 10.474 -12.269 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.296 11.792 -14.035 1.00 0.00 O ATOM 0 H GLU B 33 17.735 13.672 -11.132 1.00 0.00 H new ATOM 0 HA GLU B 33 17.850 11.186 -9.531 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.305 10.128 -11.086 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.541 11.515 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU B 33 16.033 12.891 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU B 33 16.827 11.521 -13.105 1.00 0.00 H new ATOM 434 N ASP B 34 19.537 12.181 -12.036 1.00 0.00 N ATOM 435 CA ASP B 34 20.721 11.850 -12.815 1.00 0.00 C ATOM 436 C ASP B 34 21.931 11.513 -11.948 1.00 0.00 C ATOM 437 O ASP B 34 22.614 10.518 -12.201 1.00 0.00 O ATOM 438 CB ASP B 34 21.046 12.965 -13.814 1.00 0.00 C ATOM 439 CG ASP B 34 20.113 12.951 -15.027 1.00 0.00 C ATOM 440 OD1 ASP B 34 20.276 13.856 -15.875 1.00 0.00 O ATOM 441 OD2 ASP B 34 19.257 12.041 -15.099 1.00 0.00 O ATOM 0 H ASP B 34 19.301 13.173 -12.024 1.00 0.00 H new ATOM 0 HA ASP B 34 20.485 10.943 -13.372 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.972 13.930 -13.313 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.077 12.858 -14.151 1.00 0.00 H new ATOM 446 N VAL B 35 22.201 12.333 -10.927 1.00 0.00 N ATOM 447 CA VAL B 35 23.311 12.067 -10.022 1.00 0.00 C ATOM 448 C VAL B 35 23.005 10.881 -9.114 1.00 0.00 C ATOM 449 O VAL B 35 23.907 10.152 -8.711 1.00 0.00 O ATOM 450 CB VAL B 35 23.671 13.331 -9.232 1.00 0.00 C ATOM 451 CG1 VAL B 35 22.668 13.579 -8.101 1.00 0.00 C ATOM 452 CG2 VAL B 35 25.066 13.185 -8.627 1.00 0.00 C ATOM 0 H VAL B 35 21.669 13.177 -10.712 1.00 0.00 H new ATOM 0 HA VAL B 35 24.186 11.792 -10.610 1.00 0.00 H new ATOM 0 HB VAL B 35 23.645 14.175 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL B 35 22.948 14.482 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL B 35 21.670 13.703 -8.521 1.00 0.00 H new ATOM 0 HG13 VAL B 35 22.672 12.729 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL B 35 25.316 14.086 -8.067 1.00 0.00 H new ATOM 0 HG22 VAL B 35 25.084 12.325 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL B 35 25.795 13.039 -9.424 1.00 0.00 H new ATOM 462 N PHE B 36 21.724 10.685 -8.798 1.00 0.00 N ATOM 463 CA PHE B 36 21.291 9.564 -7.983 1.00 0.00 C ATOM 464 C PHE B 36 21.281 8.234 -8.733 1.00 0.00 C ATOM 465 O PHE B 36 21.501 7.177 -8.140 1.00 0.00 O ATOM 466 CB PHE B 36 19.957 9.884 -7.313 1.00 0.00 C ATOM 467 CG PHE B 36 20.098 10.800 -6.114 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.988 12.188 -6.272 1.00 0.00 C ATOM 469 CD2 PHE B 36 20.349 10.261 -4.843 1.00 0.00 C ATOM 470 CE1 PHE B 36 20.113 13.036 -5.161 1.00 0.00 C ATOM 471 CE2 PHE B 36 20.478 11.110 -3.732 1.00 0.00 C ATOM 472 CZ PHE B 36 20.357 12.496 -3.890 1.00 0.00 C ATOM 0 H PHE B 36 20.967 11.298 -9.101 1.00 0.00 H new ATOM 0 HA PHE B 36 22.035 9.423 -7.199 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.294 10.349 -8.042 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.483 8.954 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.807 12.606 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE B 36 20.443 9.192 -4.719 1.00 0.00 H new ATOM 0 HE1 PHE B 36 20.021 14.105 -5.285 1.00 0.00 H new ATOM 0 HE2 PHE B 36 20.671 10.693 -2.754 1.00 0.00 H new ATOM 0 HZ PHE B 36 20.451 13.148 -3.034 1.00 0.00 H new ATOM 482 N SER B 37 21.029 8.280 -10.045 1.00 0.00 N ATOM 483 CA SER B 37 21.103 7.090 -10.877 1.00 0.00 C ATOM 484 C SER B 37 22.559 6.652 -11.031 1.00 0.00 C ATOM 485 O SER B 37 22.834 5.460 -11.172 1.00 0.00 O ATOM 486 CB SER B 37 20.478 7.382 -12.240 1.00 0.00 C ATOM 487 OG SER B 37 20.600 6.250 -13.076 1.00 0.00 O ATOM 0 H SER B 37 20.773 9.130 -10.547 1.00 0.00 H new ATOM 0 HA SER B 37 20.550 6.278 -10.405 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.427 7.645 -12.119 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.970 8.239 -12.700 1.00 0.00 H new ATOM 0 HG SER B 37 20.196 6.442 -13.948 1.00 0.00 H new ATOM 493 N LYS B 38 23.495 7.608 -11.001 1.00 0.00 N ATOM 494 CA LYS B 38 24.914 7.303 -11.079 1.00 0.00 C ATOM 495 C LYS B 38 25.408 6.695 -9.767 1.00 0.00 C ATOM 496 O LYS B 38 26.334 5.883 -9.768 1.00 0.00 O ATOM 497 CB LYS B 38 25.677 8.588 -11.419 1.00 0.00 C ATOM 498 CG LYS B 38 27.195 8.371 -11.486 1.00 0.00 C ATOM 499 CD LYS B 38 27.581 7.313 -12.529 1.00 0.00 C ATOM 500 CE LYS B 38 27.057 7.680 -13.922 1.00 0.00 C ATOM 501 NZ LYS B 38 27.600 8.967 -14.385 1.00 0.00 N ATOM 0 H LYS B 38 23.285 8.603 -10.923 1.00 0.00 H new ATOM 0 HA LYS B 38 25.090 6.565 -11.862 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.326 8.973 -12.377 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.455 9.348 -10.670 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.685 9.314 -11.728 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.561 8.064 -10.506 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.666 7.212 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.180 6.344 -12.232 1.00 0.00 H new ATOM 0 HE2 LYS B 38 27.325 6.896 -14.630 1.00 0.00 H new ATOM 0 HE3 LYS B 38 25.968 7.731 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 27.334 9.118 -15.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 27.213 9.737 -13.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 28.637 8.957 -14.301 1.00 0.00 H new ATOM 515 N TYR B 39 24.795 7.085 -8.643 1.00 0.00 N ATOM 516 CA TYR B 39 25.179 6.583 -7.330 1.00 0.00 C ATOM 517 C TYR B 39 24.569 5.248 -6.911 1.00 0.00 C ATOM 518 O TYR B 39 25.096 4.601 -6.010 1.00 0.00 O ATOM 519 CB TYR B 39 24.969 7.653 -6.259 1.00 0.00 C ATOM 520 CG TYR B 39 26.162 8.562 -6.058 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.833 8.538 -4.829 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.597 9.418 -7.081 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.941 9.370 -4.615 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.704 10.255 -6.876 1.00 0.00 C ATOM 525 CZ TYR B 39 28.378 10.235 -5.637 1.00 0.00 C ATOM 526 OH TYR B 39 29.453 11.049 -5.431 1.00 0.00 O ATOM 0 H TYR B 39 24.025 7.753 -8.624 1.00 0.00 H new ATOM 0 HA TYR B 39 26.241 6.358 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR B 39 24.104 8.259 -6.530 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.733 7.165 -5.313 1.00 0.00 H new ATOM 0 HD1 TYR B 39 26.496 7.877 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.079 9.433 -8.028 1.00 0.00 H new ATOM 0 HE1 TYR B 39 28.459 9.348 -3.668 1.00 0.00 H new ATOM 0 HE2 TYR B 39 28.039 10.913 -7.664 1.00 0.00 H new ATOM 0 HH TYR B 39 29.621 11.580 -6.238 1.00 0.00 H new ATOM 536 N GLY B 40 23.470 4.820 -7.540 1.00 0.00 N ATOM 537 CA GLY B 40 22.832 3.575 -7.129 1.00 0.00 C ATOM 538 C GLY B 40 21.707 3.129 -8.062 1.00 0.00 C ATOM 539 O GLY B 40 20.838 2.366 -7.644 1.00 0.00 O ATOM 0 H GLY B 40 23.017 5.305 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.586 2.789 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.432 3.696 -6.122 1.00 0.00 H new ATOM 543 N ALA B 41 21.718 3.597 -9.316 1.00 0.00 N ATOM 544 CA ALA B 41 20.701 3.243 -10.297 1.00 0.00 C ATOM 545 C ALA B 41 19.295 3.494 -9.754 1.00 0.00 C ATOM 546 O ALA B 41 18.347 2.802 -10.127 1.00 0.00 O ATOM 547 CB ALA B 41 20.899 1.792 -10.744 1.00 0.00 C ATOM 0 H ALA B 41 22.434 4.230 -9.673 1.00 0.00 H new ATOM 0 HA ALA B 41 20.811 3.884 -11.171 1.00 0.00 H new ATOM 0 HB1 ALA B 41 20.137 1.530 -11.478 1.00 0.00 H new ATOM 0 HB2 ALA B 41 21.887 1.681 -11.191 1.00 0.00 H new ATOM 0 HB3 ALA B 41 20.815 1.131 -9.882 1.00 0.00 H new ATOM 553 N ILE B 42 19.163 4.487 -8.869 1.00 0.00 N ATOM 554 CA ILE B 42 17.885 4.875 -8.292 1.00 0.00 C ATOM 555 C ILE B 42 16.853 5.087 -9.396 1.00 0.00 C ATOM 556 O ILE B 42 17.160 5.680 -10.431 1.00 0.00 O ATOM 557 CB ILE B 42 18.088 6.134 -7.447 1.00 0.00 C ATOM 558 CG1 ILE B 42 18.660 5.716 -6.089 1.00 0.00 C ATOM 559 CG2 ILE B 42 16.785 6.914 -7.247 1.00 0.00 C ATOM 560 CD1 ILE B 42 19.361 6.888 -5.405 1.00 0.00 C ATOM 0 H ILE B 42 19.949 5.044 -8.535 1.00 0.00 H new ATOM 0 HA ILE B 42 17.504 4.084 -7.646 1.00 0.00 H new ATOM 0 HB ILE B 42 18.777 6.796 -7.972 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.858 5.345 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE B 42 19.364 4.895 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE B 42 16.980 7.799 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE B 42 16.390 7.218 -8.217 1.00 0.00 H new ATOM 0 HG23 ILE B 42 16.056 6.281 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.758 6.563 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE B 42 20.178 7.241 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE B 42 18.648 7.698 -5.249 1.00 0.00 H new ATOM 572 N ARG B 43 15.631 4.596 -9.173 1.00 0.00 N ATOM 573 CA ARG B 43 14.603 4.580 -10.206 1.00 0.00 C ATOM 574 C ARG B 43 13.532 5.641 -9.988 1.00 0.00 C ATOM 575 O ARG B 43 12.820 5.972 -10.935 1.00 0.00 O ATOM 576 CB ARG B 43 13.969 3.188 -10.271 1.00 0.00 C ATOM 577 CG ARG B 43 14.986 2.127 -10.708 1.00 0.00 C ATOM 578 CD ARG B 43 15.535 2.452 -12.096 1.00 0.00 C ATOM 579 NE ARG B 43 16.380 1.363 -12.600 1.00 0.00 N ATOM 580 CZ ARG B 43 16.322 0.885 -13.848 1.00 0.00 C ATOM 581 NH1 ARG B 43 15.468 1.389 -14.735 1.00 0.00 N ATOM 582 NH2 ARG B 43 17.132 -0.104 -14.206 1.00 0.00 N ATOM 0 H ARG B 43 15.333 4.203 -8.280 1.00 0.00 H new ATOM 0 HA ARG B 43 15.086 4.816 -11.154 1.00 0.00 H new ATOM 0 HB2 ARG B 43 13.565 2.925 -9.293 1.00 0.00 H new ATOM 0 HB3 ARG B 43 13.132 3.201 -10.969 1.00 0.00 H new ATOM 0 HG2 ARG B 43 15.804 2.080 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.514 1.145 -10.718 1.00 0.00 H new ATOM 0 HD2 ARG B 43 14.709 2.624 -12.786 1.00 0.00 H new ATOM 0 HD3 ARG B 43 16.113 3.375 -12.055 1.00 0.00 H new ATOM 0 HE ARG B 43 17.054 0.944 -11.959 1.00 0.00 H new ATOM 0 HH11 ARG B 43 14.845 2.151 -14.467 1.00 0.00 H new ATOM 0 HH12 ARG B 43 15.436 1.013 -15.683 1.00 0.00 H new ATOM 0 HH21 ARG B 43 17.791 -0.493 -13.532 1.00 0.00 H new ATOM 0 HH22 ARG B 43 17.095 -0.475 -15.155 1.00 0.00 H new ATOM 596 N ASP B 44 13.392 6.181 -8.774 1.00 0.00 N ATOM 597 CA ASP B 44 12.390 7.221 -8.563 1.00 0.00 C ATOM 598 C ASP B 44 12.768 8.112 -7.383 1.00 0.00 C ATOM 599 O ASP B 44 13.520 7.707 -6.494 1.00 0.00 O ATOM 600 CB ASP B 44 11.039 6.553 -8.283 1.00 0.00 C ATOM 601 CG ASP B 44 9.870 7.529 -8.414 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.780 7.179 -7.911 1.00 0.00 O ATOM 603 OD2 ASP B 44 10.071 8.609 -9.011 1.00 0.00 O ATOM 0 H ASP B 44 13.939 5.926 -7.952 1.00 0.00 H new ATOM 0 HA ASP B 44 12.332 7.843 -9.456 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.896 5.724 -8.976 1.00 0.00 H new ATOM 0 HB3 ASP B 44 11.046 6.131 -7.278 1.00 0.00 H new ATOM 608 N ILE B 45 12.231 9.336 -7.388 1.00 0.00 N ATOM 609 CA ILE B 45 12.363 10.299 -6.306 1.00 0.00 C ATOM 610 C ILE B 45 10.977 10.853 -6.003 1.00 0.00 C ATOM 611 O ILE B 45 10.383 11.525 -6.844 1.00 0.00 O ATOM 612 CB ILE B 45 13.286 11.456 -6.716 1.00 0.00 C ATOM 613 CG1 ILE B 45 14.609 10.993 -7.334 1.00 0.00 C ATOM 614 CG2 ILE B 45 13.532 12.355 -5.504 1.00 0.00 C ATOM 615 CD1 ILE B 45 15.536 10.338 -6.305 1.00 0.00 C ATOM 0 H ILE B 45 11.678 9.688 -8.170 1.00 0.00 H new ATOM 0 HA ILE B 45 12.793 9.809 -5.432 1.00 0.00 H new ATOM 0 HB ILE B 45 12.779 12.016 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE B 45 14.404 10.285 -8.137 1.00 0.00 H new ATOM 0 HG13 ILE B 45 15.115 11.847 -7.784 1.00 0.00 H new ATOM 0 HG21 ILE B 45 14.187 13.179 -5.789 1.00 0.00 H new ATOM 0 HG22 ILE B 45 12.582 12.753 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE B 45 14.003 11.775 -4.710 1.00 0.00 H new ATOM 0 HD11 ILE B 45 16.460 10.027 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE B 45 15.766 11.053 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE B 45 15.043 9.467 -5.874 1.00 0.00 H new ATOM 627 N ASP B 46 10.452 10.582 -4.808 1.00 0.00 N ATOM 628 CA ASP B 46 9.153 11.107 -4.419 1.00 0.00 C ATOM 629 C ASP B 46 9.308 12.519 -3.860 1.00 0.00 C ATOM 630 O ASP B 46 8.832 12.810 -2.763 1.00 0.00 O ATOM 631 CB ASP B 46 8.482 10.167 -3.415 1.00 0.00 C ATOM 632 CG ASP B 46 7.074 10.646 -3.046 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.481 11.386 -3.860 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.609 10.263 -1.950 1.00 0.00 O ATOM 0 H ASP B 46 10.907 10.005 -4.100 1.00 0.00 H new ATOM 0 HA ASP B 46 8.507 11.165 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.426 9.163 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.092 10.101 -2.514 1.00 0.00 H new ATOM 639 N LEU B 47 9.980 13.404 -4.606 1.00 0.00 N ATOM 640 CA LEU B 47 10.099 14.799 -4.201 1.00 0.00 C ATOM 641 C LEU B 47 8.706 15.365 -3.954 1.00 0.00 C ATOM 642 O LEU B 47 7.867 15.371 -4.855 1.00 0.00 O ATOM 643 CB LEU B 47 10.848 15.587 -5.277 1.00 0.00 C ATOM 644 CG LEU B 47 10.842 17.093 -4.979 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.638 17.396 -3.713 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.465 17.846 -6.151 1.00 0.00 C ATOM 0 H LEU B 47 10.444 13.176 -5.485 1.00 0.00 H new ATOM 0 HA LEU B 47 10.670 14.879 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.877 15.232 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.388 15.406 -6.248 1.00 0.00 H new ATOM 0 HG LEU B 47 9.810 17.412 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.621 18.469 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.194 16.869 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.669 17.067 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.461 18.915 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.491 17.509 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU B 47 10.888 17.653 -7.056 1.00 0.00 H new ATOM 658 N LYS B 48 8.461 15.839 -2.732 1.00 0.00 N ATOM 659 CA LYS B 48 7.133 16.277 -2.323 1.00 0.00 C ATOM 660 C LYS B 48 7.218 17.465 -1.371 1.00 0.00 C ATOM 661 O LYS B 48 8.151 17.572 -0.580 1.00 0.00 O ATOM 662 CB LYS B 48 6.418 15.075 -1.696 1.00 0.00 C ATOM 663 CG LYS B 48 4.983 15.409 -1.290 1.00 0.00 C ATOM 664 CD LYS B 48 4.148 14.140 -1.088 1.00 0.00 C ATOM 665 CE LYS B 48 4.670 13.270 0.065 1.00 0.00 C ATOM 666 NZ LYS B 48 5.879 12.511 -0.317 1.00 0.00 N ATOM 0 H LYS B 48 9.172 15.928 -2.006 1.00 0.00 H new ATOM 0 HA LYS B 48 6.561 16.626 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.411 14.247 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.974 14.739 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.990 15.992 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.522 16.031 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS B 48 3.113 14.418 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.150 13.557 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.896 13.903 0.923 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.890 12.576 0.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 5.820 11.547 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 5.947 12.465 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 6.722 12.986 0.064 1.00 0.00 H new ATOM 680 N ASN B 49 6.232 18.361 -1.457 1.00 0.00 N ATOM 681 CA ASN B 49 6.176 19.557 -0.632 1.00 0.00 C ATOM 682 C ASN B 49 5.664 19.231 0.771 1.00 0.00 C ATOM 683 O ASN B 49 5.235 18.106 1.033 1.00 0.00 O ATOM 684 CB ASN B 49 5.275 20.596 -1.311 1.00 0.00 C ATOM 685 CG ASN B 49 5.806 20.999 -2.678 1.00 0.00 C ATOM 686 OD1 ASN B 49 6.984 20.813 -2.976 1.00 0.00 O ATOM 687 ND2 ASN B 49 4.938 21.555 -3.515 1.00 0.00 N ATOM 0 H ASN B 49 5.450 18.272 -2.105 1.00 0.00 H new ATOM 0 HA ASN B 49 7.181 19.965 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN B 49 4.269 20.190 -1.417 1.00 0.00 H new ATOM 0 HB3 ASN B 49 5.197 21.479 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN B 49 5.241 21.846 -4.445 1.00 0.00 H new ATOM 0 HD22 ASN B 49 3.969 21.692 -3.228 1.00 0.00 H new ATOM 770 N PRO B 55 11.565 21.058 1.556 1.00 0.00 N ATOM 771 CA PRO B 55 10.979 19.894 0.921 1.00 0.00 C ATOM 772 C PRO B 55 11.724 18.624 1.335 1.00 0.00 C ATOM 773 O PRO B 55 12.816 18.685 1.900 1.00 0.00 O ATOM 774 CB PRO B 55 11.104 20.143 -0.583 1.00 0.00 C ATOM 775 CG PRO B 55 12.295 21.098 -0.704 1.00 0.00 C ATOM 776 CD PRO B 55 12.249 21.900 0.596 1.00 0.00 C ATOM 0 HA PRO B 55 9.939 19.749 1.214 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.280 19.215 -1.128 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.195 20.585 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.235 20.555 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.203 21.744 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.254 22.147 0.939 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.720 22.842 0.455 1.00 0.00 H new ATOM 784 N PHE B 56 11.124 17.467 1.047 1.00 0.00 N ATOM 785 CA PHE B 56 11.697 16.178 1.417 1.00 0.00 C ATOM 786 C PHE B 56 11.235 15.197 0.339 1.00 0.00 C ATOM 787 O PHE B 56 10.386 15.529 -0.488 1.00 0.00 O ATOM 788 CB PHE B 56 11.153 15.783 2.792 1.00 0.00 C ATOM 789 CG PHE B 56 9.796 15.108 2.787 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.673 15.755 2.250 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.666 13.826 3.340 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.421 15.123 2.278 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.412 13.201 3.382 1.00 0.00 C ATOM 794 CZ PHE B 56 7.290 13.850 2.850 1.00 0.00 C ATOM 0 H PHE B 56 10.233 17.400 0.554 1.00 0.00 H new ATOM 0 HA PHE B 56 12.785 16.194 1.480 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.870 15.115 3.269 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.092 16.679 3.410 1.00 0.00 H new ATOM 0 HD1 PHE B 56 8.772 16.739 1.815 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.534 13.319 3.735 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.557 15.618 1.859 1.00 0.00 H new ATOM 0 HE2 PHE B 56 8.311 12.221 3.824 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.323 13.369 2.881 1.00 0.00 H new ATOM 804 N ALA B 57 11.795 13.985 0.342 1.00 0.00 N ATOM 805 CA ALA B 57 11.497 13.020 -0.701 1.00 0.00 C ATOM 806 C ALA B 57 11.708 11.585 -0.221 1.00 0.00 C ATOM 807 O ALA B 57 12.488 11.337 0.699 1.00 0.00 O ATOM 808 CB ALA B 57 12.394 13.295 -1.907 1.00 0.00 C ATOM 0 H ALA B 57 12.451 13.657 1.051 1.00 0.00 H new ATOM 0 HA ALA B 57 10.448 13.127 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.176 12.574 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.208 14.303 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.439 13.204 -1.611 1.00 0.00 H new ATOM 814 N PHE B 58 11.010 10.644 -0.861 1.00 0.00 N ATOM 815 CA PHE B 58 11.263 9.221 -0.680 1.00 0.00 C ATOM 816 C PHE B 58 11.909 8.619 -1.925 1.00 0.00 C ATOM 817 O PHE B 58 11.252 8.450 -2.952 1.00 0.00 O ATOM 818 CB PHE B 58 9.992 8.475 -0.279 1.00 0.00 C ATOM 819 CG PHE B 58 9.489 8.838 1.100 1.00 0.00 C ATOM 820 CD1 PHE B 58 8.391 9.700 1.230 1.00 0.00 C ATOM 821 CD2 PHE B 58 10.110 8.313 2.243 1.00 0.00 C ATOM 822 CE1 PHE B 58 7.935 10.061 2.504 1.00 0.00 C ATOM 823 CE2 PHE B 58 9.644 8.665 3.515 1.00 0.00 C ATOM 824 CZ PHE B 58 8.562 9.543 3.646 1.00 0.00 C ATOM 0 H PHE B 58 10.256 10.851 -1.517 1.00 0.00 H new ATOM 0 HA PHE B 58 11.970 9.107 0.142 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.211 8.686 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.182 7.402 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE B 58 7.898 10.085 0.350 1.00 0.00 H new ATOM 0 HD2 PHE B 58 10.947 7.638 2.142 1.00 0.00 H new ATOM 0 HE1 PHE B 58 7.100 10.739 2.607 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.119 8.259 4.396 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.210 9.822 4.628 1.00 0.00 H new ATOM 834 N VAL B 59 13.197 8.295 -1.828 1.00 0.00 N ATOM 835 CA VAL B 59 13.958 7.758 -2.947 1.00 0.00 C ATOM 836 C VAL B 59 13.669 6.267 -3.085 1.00 0.00 C ATOM 837 O VAL B 59 13.538 5.574 -2.076 1.00 0.00 O ATOM 838 CB VAL B 59 15.447 8.007 -2.688 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.303 7.365 -3.775 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.719 9.510 -2.652 1.00 0.00 C ATOM 0 H VAL B 59 13.739 8.398 -0.970 1.00 0.00 H new ATOM 0 HA VAL B 59 13.672 8.248 -3.878 1.00 0.00 H new ATOM 0 HB VAL B 59 15.707 7.560 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.356 7.556 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.125 6.290 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL B 59 16.040 7.790 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.779 9.684 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.440 9.953 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.132 9.967 -1.855 1.00 0.00 H new ATOM 850 N GLU B 60 13.574 5.768 -4.323 1.00 0.00 N ATOM 851 CA GLU B 60 13.326 4.352 -4.562 1.00 0.00 C ATOM 852 C GLU B 60 14.472 3.738 -5.366 1.00 0.00 C ATOM 853 O GLU B 60 14.751 4.164 -6.488 1.00 0.00 O ATOM 854 CB GLU B 60 11.988 4.181 -5.282 1.00 0.00 C ATOM 855 CG GLU B 60 11.695 2.697 -5.527 1.00 0.00 C ATOM 856 CD GLU B 60 10.272 2.475 -6.044 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.480 3.442 -6.003 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.991 1.335 -6.477 1.00 0.00 O ATOM 0 H GLU B 60 13.666 6.328 -5.171 1.00 0.00 H new ATOM 0 HA GLU B 60 13.275 3.827 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.189 4.622 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU B 60 12.009 4.715 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.409 2.300 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.835 2.141 -4.600 1.00 0.00 H new ATOM 865 N PHE B 61 15.123 2.732 -4.774 1.00 0.00 N ATOM 866 CA PHE B 61 16.261 2.044 -5.367 1.00 0.00 C ATOM 867 C PHE B 61 15.903 0.859 -6.264 1.00 0.00 C ATOM 868 O PHE B 61 14.825 0.284 -6.146 1.00 0.00 O ATOM 869 CB PHE B 61 17.239 1.603 -4.275 1.00 0.00 C ATOM 870 CG PHE B 61 18.113 2.709 -3.736 1.00 0.00 C ATOM 871 CD1 PHE B 61 17.578 3.663 -2.862 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.459 2.783 -4.116 1.00 0.00 C ATOM 873 CE1 PHE B 61 18.395 4.683 -2.360 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.276 3.800 -3.610 1.00 0.00 C ATOM 875 CZ PHE B 61 19.745 4.749 -2.723 1.00 0.00 C ATOM 0 H PHE B 61 14.866 2.371 -3.855 1.00 0.00 H new ATOM 0 HA PHE B 61 16.727 2.775 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE B 61 16.673 1.170 -3.451 1.00 0.00 H new ATOM 0 HB3 PHE B 61 17.877 0.814 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE B 61 16.538 3.612 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.867 2.054 -4.801 1.00 0.00 H new ATOM 0 HE1 PHE B 61 17.982 5.422 -1.690 1.00 0.00 H new ATOM 0 HE2 PHE B 61 21.314 3.855 -3.902 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.376 5.528 -2.322 1.00 0.00 H new ATOM 885 N GLU B 62 16.826 0.496 -7.160 1.00 0.00 N ATOM 886 CA GLU B 62 16.747 -0.755 -7.904 1.00 0.00 C ATOM 887 C GLU B 62 17.388 -1.874 -7.077 1.00 0.00 C ATOM 888 O GLU B 62 17.000 -3.036 -7.184 1.00 0.00 O ATOM 889 CB GLU B 62 17.462 -0.588 -9.246 1.00 0.00 C ATOM 890 CG GLU B 62 17.524 -1.923 -9.999 1.00 0.00 C ATOM 891 CD GLU B 62 18.113 -1.766 -11.401 1.00 0.00 C ATOM 892 OE1 GLU B 62 18.369 -0.607 -11.800 1.00 0.00 O ATOM 893 OE2 GLU B 62 18.301 -2.814 -12.061 1.00 0.00 O ATOM 0 H GLU B 62 17.644 1.062 -7.386 1.00 0.00 H new ATOM 0 HA GLU B 62 15.706 -1.017 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.940 0.153 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.471 -0.211 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.126 -2.632 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU B 62 16.521 -2.344 -10.073 1.00 0.00 H new ATOM 900 N ASP B 63 18.374 -1.509 -6.246 1.00 0.00 N ATOM 901 CA ASP B 63 19.069 -2.435 -5.362 1.00 0.00 C ATOM 902 C ASP B 63 19.659 -1.666 -4.172 1.00 0.00 C ATOM 903 O ASP B 63 20.605 -0.899 -4.350 1.00 0.00 O ATOM 904 CB ASP B 63 20.157 -3.170 -6.149 1.00 0.00 C ATOM 905 CG ASP B 63 20.996 -4.099 -5.268 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.644 -4.250 -4.077 1.00 0.00 O ATOM 907 OD2 ASP B 63 21.981 -4.650 -5.804 1.00 0.00 O ATOM 0 H ASP B 63 18.710 -0.549 -6.173 1.00 0.00 H new ATOM 0 HA ASP B 63 18.371 -3.176 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP B 63 19.693 -3.752 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.811 -2.440 -6.626 1.00 0.00 H new ATOM 912 N PRO B 64 19.114 -1.861 -2.962 1.00 0.00 N ATOM 913 CA PRO B 64 19.539 -1.165 -1.754 1.00 0.00 C ATOM 914 C PRO B 64 21.016 -1.372 -1.409 1.00 0.00 C ATOM 915 O PRO B 64 21.545 -0.671 -0.546 1.00 0.00 O ATOM 916 CB PRO B 64 18.653 -1.710 -0.633 1.00 0.00 C ATOM 917 CG PRO B 64 17.437 -2.291 -1.351 1.00 0.00 C ATOM 918 CD PRO B 64 17.996 -2.743 -2.692 1.00 0.00 C ATOM 0 HA PRO B 64 19.435 -0.090 -1.898 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.172 -2.472 -0.052 1.00 0.00 H new ATOM 0 HB3 PRO B 64 18.364 -0.922 0.062 1.00 0.00 H new ATOM 0 HG2 PRO B 64 17.003 -3.123 -0.796 1.00 0.00 H new ATOM 0 HG3 PRO B 64 16.651 -1.546 -1.475 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.318 -3.784 -2.653 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.242 -2.672 -3.476 1.00 0.00 H new ATOM 926 N ARG B 65 21.692 -2.317 -2.069 1.00 0.00 N ATOM 927 CA ARG B 65 23.103 -2.582 -1.808 1.00 0.00 C ATOM 928 C ARG B 65 23.962 -1.377 -2.187 1.00 0.00 C ATOM 929 O ARG B 65 25.048 -1.193 -1.645 1.00 0.00 O ATOM 930 CB ARG B 65 23.522 -3.843 -2.575 1.00 0.00 C ATOM 931 CG ARG B 65 24.999 -4.191 -2.358 1.00 0.00 C ATOM 932 CD ARG B 65 25.882 -3.576 -3.451 1.00 0.00 C ATOM 933 NE ARG B 65 27.297 -3.913 -3.243 1.00 0.00 N ATOM 934 CZ ARG B 65 28.136 -3.185 -2.500 1.00 0.00 C ATOM 935 NH1 ARG B 65 27.713 -2.101 -1.861 1.00 0.00 N ATOM 936 NH2 ARG B 65 29.414 -3.541 -2.390 1.00 0.00 N ATOM 0 H ARG B 65 21.280 -2.911 -2.789 1.00 0.00 H new ATOM 0 HA ARG B 65 23.254 -2.753 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG B 65 22.903 -4.682 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG B 65 23.338 -3.696 -3.639 1.00 0.00 H new ATOM 0 HG2 ARG B 65 25.320 -3.829 -1.381 1.00 0.00 H new ATOM 0 HG3 ARG B 65 25.123 -5.274 -2.354 1.00 0.00 H new ATOM 0 HD2 ARG B 65 25.560 -3.936 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG B 65 25.760 -2.493 -3.454 1.00 0.00 H new ATOM 0 HE ARG B 65 27.661 -4.753 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG B 65 26.737 -1.815 -1.934 1.00 0.00 H new ATOM 0 HH12 ARG B 65 28.364 -1.555 -1.297 1.00 0.00 H new ATOM 0 HH21 ARG B 65 29.755 -4.372 -2.874 1.00 0.00 H new ATOM 0 HH22 ARG B 65 30.052 -2.983 -1.822 1.00 0.00 H new ATOM 950 N ASP B 66 23.477 -0.550 -3.117 1.00 0.00 N ATOM 951 CA ASP B 66 24.206 0.628 -3.569 1.00 0.00 C ATOM 952 C ASP B 66 24.158 1.788 -2.568 1.00 0.00 C ATOM 953 O ASP B 66 24.691 2.865 -2.834 1.00 0.00 O ATOM 954 CB ASP B 66 23.706 1.053 -4.950 1.00 0.00 C ATOM 955 CG ASP B 66 24.059 0.035 -6.035 1.00 0.00 C ATOM 956 OD1 ASP B 66 23.604 0.243 -7.182 1.00 0.00 O ATOM 957 OD2 ASP B 66 24.777 -0.938 -5.715 1.00 0.00 O ATOM 0 H ASP B 66 22.574 -0.681 -3.572 1.00 0.00 H new ATOM 0 HA ASP B 66 25.258 0.351 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP B 66 22.625 1.185 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP B 66 24.138 2.020 -5.208 1.00 0.00 H new ATOM 962 N ALA B 67 23.523 1.571 -1.412 1.00 0.00 N ATOM 963 CA ALA B 67 23.420 2.586 -0.372 1.00 0.00 C ATOM 964 C ALA B 67 24.789 2.897 0.241 1.00 0.00 C ATOM 965 O ALA B 67 24.913 3.829 1.032 1.00 0.00 O ATOM 966 CB ALA B 67 22.444 2.100 0.700 1.00 0.00 C ATOM 0 H ALA B 67 23.069 0.688 -1.176 1.00 0.00 H new ATOM 0 HA ALA B 67 23.048 3.511 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA B 67 22.360 2.853 1.484 1.00 0.00 H new ATOM 0 HB2 ALA B 67 21.465 1.932 0.251 1.00 0.00 H new ATOM 0 HB3 ALA B 67 22.811 1.168 1.130 1.00 0.00 H new ATOM 972 N GLU B 68 25.819 2.122 -0.112 1.00 0.00 N ATOM 973 CA GLU B 68 27.160 2.321 0.413 1.00 0.00 C ATOM 974 C GLU B 68 27.712 3.689 0.002 1.00 0.00 C ATOM 975 O GLU B 68 28.578 4.232 0.683 1.00 0.00 O ATOM 976 CB GLU B 68 28.049 1.180 -0.096 1.00 0.00 C ATOM 977 CG GLU B 68 29.479 1.318 0.436 1.00 0.00 C ATOM 978 CD GLU B 68 30.337 0.110 0.060 1.00 0.00 C ATOM 979 OE1 GLU B 68 29.789 -0.832 -0.557 1.00 0.00 O ATOM 980 OE2 GLU B 68 31.543 0.139 0.399 1.00 0.00 O ATOM 0 H GLU B 68 25.741 1.344 -0.767 1.00 0.00 H new ATOM 0 HA GLU B 68 27.140 2.307 1.503 1.00 0.00 H new ATOM 0 HB2 GLU B 68 27.632 0.223 0.216 1.00 0.00 H new ATOM 0 HB3 GLU B 68 28.061 1.182 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU B 68 29.931 2.225 0.035 1.00 0.00 H new ATOM 0 HG3 GLU B 68 29.456 1.425 1.520 1.00 0.00 H new ATOM 987 N ASP B 69 27.210 4.243 -1.106 1.00 0.00 N ATOM 988 CA ASP B 69 27.625 5.552 -1.597 1.00 0.00 C ATOM 989 C ASP B 69 26.466 6.540 -1.694 1.00 0.00 C ATOM 990 O ASP B 69 26.644 7.734 -1.470 1.00 0.00 O ATOM 991 CB ASP B 69 28.307 5.401 -2.959 1.00 0.00 C ATOM 992 CG ASP B 69 29.690 4.755 -2.872 1.00 0.00 C ATOM 993 OD1 ASP B 69 30.203 4.359 -3.942 1.00 0.00 O ATOM 994 OD2 ASP B 69 30.227 4.662 -1.745 1.00 0.00 O ATOM 0 H ASP B 69 26.503 3.792 -1.686 1.00 0.00 H new ATOM 0 HA ASP B 69 28.328 5.962 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP B 69 27.673 4.800 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP B 69 28.400 6.383 -3.422 1.00 0.00 H new ATOM 999 N ALA B 70 25.275 6.037 -2.032 1.00 0.00 N ATOM 1000 CA ALA B 70 24.091 6.858 -2.248 1.00 0.00 C ATOM 1001 C ALA B 70 23.435 7.261 -0.926 1.00 0.00 C ATOM 1002 O ALA B 70 22.519 8.088 -0.924 1.00 0.00 O ATOM 1003 CB ALA B 70 23.110 6.079 -3.120 1.00 0.00 C ATOM 0 H ALA B 70 25.109 5.039 -2.163 1.00 0.00 H new ATOM 0 HA ALA B 70 24.385 7.780 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA B 70 22.218 6.681 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA B 70 23.579 5.846 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA B 70 22.832 5.153 -2.617 1.00 0.00 H new ATOM 1009 N VAL B 71 23.887 6.683 0.192 1.00 0.00 N ATOM 1010 CA VAL B 71 23.292 6.952 1.493 1.00 0.00 C ATOM 1011 C VAL B 71 24.364 7.159 2.554 1.00 0.00 C ATOM 1012 O VAL B 71 24.264 8.076 3.364 1.00 0.00 O ATOM 1013 CB VAL B 71 22.353 5.798 1.881 1.00 0.00 C ATOM 1014 CG1 VAL B 71 21.674 6.066 3.224 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.286 5.597 0.809 1.00 0.00 C ATOM 0 H VAL B 71 24.666 6.025 0.215 1.00 0.00 H new ATOM 0 HA VAL B 71 22.713 7.873 1.429 1.00 0.00 H new ATOM 0 HB VAL B 71 22.958 4.896 1.968 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.016 5.233 3.472 1.00 0.00 H new ATOM 0 HG12 VAL B 71 22.432 6.173 4.000 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.089 6.983 3.159 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.629 4.777 1.099 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.701 6.510 0.703 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.765 5.360 -0.141 1.00 0.00 H new ATOM 1025 N SER B 72 25.393 6.306 2.551 1.00 0.00 N ATOM 1026 CA SER B 72 26.478 6.406 3.518 1.00 0.00 C ATOM 1027 C SER B 72 27.529 7.422 3.067 1.00 0.00 C ATOM 1028 O SER B 72 28.500 7.670 3.783 1.00 0.00 O ATOM 1029 CB SER B 72 27.112 5.029 3.719 1.00 0.00 C ATOM 1030 OG SER B 72 26.156 4.143 4.263 1.00 0.00 O ATOM 0 H SER B 72 25.493 5.539 1.886 1.00 0.00 H new ATOM 0 HA SER B 72 26.069 6.756 4.466 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.480 4.644 2.768 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.971 5.107 4.385 1.00 0.00 H new ATOM 0 HG SER B 72 26.563 3.260 4.390 1.00 0.00 H new ATOM 1036 N GLY B 73 27.346 8.015 1.879 1.00 0.00 N ATOM 1037 CA GLY B 73 28.298 8.973 1.340 1.00 0.00 C ATOM 1038 C GLY B 73 28.170 10.335 2.017 1.00 0.00 C ATOM 1039 O GLY B 73 29.160 11.056 2.130 1.00 0.00 O ATOM 0 H GLY B 73 26.541 7.841 1.277 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.311 8.594 1.473 1.00 0.00 H new ATOM 0 HA3 GLY B 73 28.137 9.083 0.268 1.00 0.00 H new ATOM 1043 N ARG B 74 26.961 10.686 2.469 1.00 0.00 N ATOM 1044 CA ARG B 74 26.725 11.940 3.178 1.00 0.00 C ATOM 1045 C ARG B 74 25.400 11.893 3.934 1.00 0.00 C ATOM 1046 O ARG B 74 24.375 11.509 3.374 1.00 0.00 O ATOM 1047 CB ARG B 74 26.734 13.101 2.174 1.00 0.00 C ATOM 1048 CG ARG B 74 26.495 14.437 2.884 1.00 0.00 C ATOM 1049 CD ARG B 74 26.569 15.588 1.876 1.00 0.00 C ATOM 1050 NE ARG B 74 27.895 15.678 1.252 1.00 0.00 N ATOM 1051 CZ ARG B 74 28.878 16.472 1.688 1.00 0.00 C ATOM 1052 NH1 ARG B 74 28.707 17.245 2.757 1.00 0.00 N ATOM 1053 NH2 ARG B 74 30.045 16.495 1.050 1.00 0.00 N ATOM 0 H ARG B 74 26.127 10.111 2.353 1.00 0.00 H new ATOM 0 HA ARG B 74 27.519 12.091 3.909 1.00 0.00 H new ATOM 0 HB2 ARG B 74 27.690 13.128 1.651 1.00 0.00 H new ATOM 0 HB3 ARG B 74 25.963 12.942 1.420 1.00 0.00 H new ATOM 0 HG2 ARG B 74 25.519 14.430 3.370 1.00 0.00 H new ATOM 0 HG3 ARG B 74 27.240 14.580 3.667 1.00 0.00 H new ATOM 0 HD2 ARG B 74 25.812 15.445 1.104 1.00 0.00 H new ATOM 0 HD3 ARG B 74 26.339 16.527 2.379 1.00 0.00 H new ATOM 0 HE ARG B 74 28.078 15.098 0.433 1.00 0.00 H new ATOM 0 HH11 ARG B 74 27.817 17.237 3.255 1.00 0.00 H new ATOM 0 HH12 ARG B 74 29.466 17.846 3.078 1.00 0.00 H new ATOM 0 HH21 ARG B 74 30.189 15.907 0.229 1.00 0.00 H new ATOM 0 HH22 ARG B 74 30.796 17.101 1.382 1.00 0.00 H new ATOM 1067 N ASP B 75 25.431 12.291 5.208 1.00 0.00 N ATOM 1068 CA ASP B 75 24.246 12.399 6.048 1.00 0.00 C ATOM 1069 C ASP B 75 24.507 13.314 7.243 1.00 0.00 C ATOM 1070 O ASP B 75 25.650 13.458 7.680 1.00 0.00 O ATOM 1071 CB ASP B 75 23.753 11.017 6.503 1.00 0.00 C ATOM 1072 CG ASP B 75 24.844 10.133 7.119 1.00 0.00 C ATOM 1073 OD1 ASP B 75 25.978 10.626 7.307 1.00 0.00 O ATOM 1074 OD2 ASP B 75 24.523 8.956 7.397 1.00 0.00 O ATOM 0 H ASP B 75 26.293 12.550 5.687 1.00 0.00 H new ATOM 0 HA ASP B 75 23.453 12.847 5.449 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.954 11.150 7.232 1.00 0.00 H new ATOM 0 HB3 ASP B 75 23.320 10.498 5.648 1.00 0.00 H new ATOM 1079 N GLY B 76 23.451 13.939 7.777 1.00 0.00 N ATOM 1080 CA GLY B 76 23.565 14.758 8.977 1.00 0.00 C ATOM 1081 C GLY B 76 24.601 15.866 8.808 1.00 0.00 C ATOM 1082 O GLY B 76 25.372 16.128 9.729 1.00 0.00 O ATOM 0 H GLY B 76 22.508 13.889 7.392 1.00 0.00 H new ATOM 0 HA2 GLY B 76 22.596 15.199 9.210 1.00 0.00 H new ATOM 0 HA3 GLY B 76 23.841 14.128 9.823 1.00 0.00 H new ATOM 1086 N TYR B 77 24.631 16.517 7.639 1.00 0.00 N ATOM 1087 CA TYR B 77 25.668 17.484 7.320 1.00 0.00 C ATOM 1088 C TYR B 77 25.292 18.917 7.675 1.00 0.00 C ATOM 1089 O TYR B 77 24.170 19.350 7.422 1.00 0.00 O ATOM 1090 CB TYR B 77 26.135 17.331 5.870 1.00 0.00 C ATOM 1091 CG TYR B 77 26.998 18.473 5.379 1.00 0.00 C ATOM 1092 CD1 TYR B 77 28.288 18.647 5.901 1.00 0.00 C ATOM 1093 CD2 TYR B 77 26.513 19.360 4.404 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.092 19.708 5.460 1.00 0.00 C ATOM 1095 CE2 TYR B 77 27.309 20.427 3.962 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.603 20.603 4.489 1.00 0.00 C ATOM 1097 OH TYR B 77 29.385 21.637 4.059 1.00 0.00 O ATOM 0 H TYR B 77 23.941 16.385 6.900 1.00 0.00 H new ATOM 0 HA TYR B 77 26.519 17.256 7.962 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.694 16.400 5.775 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.261 17.246 5.224 1.00 0.00 H new ATOM 0 HD1 TYR B 77 28.664 17.961 6.646 1.00 0.00 H new ATOM 0 HD2 TYR B 77 25.524 19.220 3.993 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.085 19.839 5.865 1.00 0.00 H new ATOM 0 HE2 TYR B 77 26.930 21.113 3.219 1.00 0.00 H new ATOM 0 HH TYR B 77 28.898 22.159 3.388 1.00 0.00 H new ATOM 1107 N ASP B 78 26.241 19.643 8.264 1.00 0.00 N ATOM 1108 CA ASP B 78 26.054 21.013 8.720 1.00 0.00 C ATOM 1109 C ASP B 78 25.854 21.989 7.556 1.00 0.00 C ATOM 1110 O ASP B 78 26.824 22.521 7.014 1.00 0.00 O ATOM 1111 CB ASP B 78 27.247 21.409 9.595 1.00 0.00 C ATOM 1112 CG ASP B 78 27.207 22.880 10.013 1.00 0.00 C ATOM 1113 OD1 ASP B 78 26.091 23.444 10.053 1.00 0.00 O ATOM 1114 OD2 ASP B 78 28.301 23.421 10.291 1.00 0.00 O ATOM 0 H ASP B 78 27.180 19.285 8.440 1.00 0.00 H new ATOM 0 HA ASP B 78 25.139 21.066 9.311 1.00 0.00 H new ATOM 0 HB2 ASP B 78 27.263 20.782 10.487 1.00 0.00 H new ATOM 0 HB3 ASP B 78 28.172 21.214 9.052 1.00 0.00 H new ATOM 1119 N TYR B 79 24.597 22.221 7.176 1.00 0.00 N ATOM 1120 CA TYR B 79 24.251 23.148 6.110 1.00 0.00 C ATOM 1121 C TYR B 79 24.167 24.549 6.718 1.00 0.00 C ATOM 1122 O TYR B 79 24.461 24.752 7.896 1.00 0.00 O ATOM 1123 CB TYR B 79 22.881 22.747 5.569 1.00 0.00 C ATOM 1124 CG TYR B 79 22.542 23.375 4.236 1.00 0.00 C ATOM 1125 CD1 TYR B 79 23.241 22.982 3.087 1.00 0.00 C ATOM 1126 CD2 TYR B 79 21.533 24.345 4.153 1.00 0.00 C ATOM 1127 CE1 TYR B 79 22.939 23.563 1.847 1.00 0.00 C ATOM 1128 CE2 TYR B 79 21.221 24.929 2.917 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.921 24.537 1.759 1.00 0.00 C ATOM 1130 OH TYR B 79 21.616 25.100 0.557 1.00 0.00 O ATOM 0 H TYR B 79 23.790 21.767 7.604 1.00 0.00 H new ATOM 0 HA TYR B 79 24.989 23.132 5.308 1.00 0.00 H new ATOM 0 HB2 TYR B 79 22.844 21.662 5.469 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.118 23.026 6.296 1.00 0.00 H new ATOM 0 HD1 TYR B 79 24.014 22.230 3.156 1.00 0.00 H new ATOM 0 HD2 TYR B 79 20.996 24.642 5.041 1.00 0.00 H new ATOM 0 HE1 TYR B 79 23.483 23.266 0.963 1.00 0.00 H new ATOM 0 HE2 TYR B 79 20.446 25.678 2.853 1.00 0.00 H new ATOM 0 HH TYR B 79 20.892 25.750 0.674 1.00 0.00 H new ATOM 1140 N ASP B 80 23.762 25.522 5.898 1.00 0.00 N ATOM 1141 CA ASP B 80 23.590 26.900 6.310 1.00 0.00 C ATOM 1142 C ASP B 80 22.413 27.078 7.272 1.00 0.00 C ATOM 1143 O ASP B 80 21.347 27.548 6.877 1.00 0.00 O ATOM 1144 CB ASP B 80 23.443 27.781 5.069 1.00 0.00 C ATOM 1145 CG ASP B 80 24.734 27.867 4.253 1.00 0.00 C ATOM 1146 OD1 ASP B 80 25.761 27.321 4.716 1.00 0.00 O ATOM 1147 OD2 ASP B 80 24.677 28.484 3.167 1.00 0.00 O ATOM 0 H ASP B 80 23.543 25.362 4.915 1.00 0.00 H new ATOM 0 HA ASP B 80 24.476 27.207 6.865 1.00 0.00 H new ATOM 0 HB2 ASP B 80 22.645 27.386 4.440 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.142 28.784 5.373 1.00 0.00 H new ATOM 1152 N GLY B 81 22.612 26.704 8.539 1.00 0.00 N ATOM 1153 CA GLY B 81 21.591 26.837 9.569 1.00 0.00 C ATOM 1154 C GLY B 81 20.666 25.620 9.609 1.00 0.00 C ATOM 1155 O GLY B 81 19.684 25.616 10.353 1.00 0.00 O ATOM 0 H GLY B 81 23.487 26.301 8.874 1.00 0.00 H new ATOM 0 HA2 GLY B 81 22.069 26.963 10.541 1.00 0.00 H new ATOM 0 HA3 GLY B 81 21.002 27.736 9.384 1.00 0.00 H new ATOM 1159 N TYR B 82 20.974 24.591 8.814 1.00 0.00 N ATOM 1160 CA TYR B 82 20.185 23.364 8.747 1.00 0.00 C ATOM 1161 C TYR B 82 21.057 22.108 8.763 1.00 0.00 C ATOM 1162 O TYR B 82 22.277 22.197 8.885 1.00 0.00 O ATOM 1163 CB TYR B 82 19.260 23.406 7.530 1.00 0.00 C ATOM 1164 CG TYR B 82 18.144 24.419 7.643 1.00 0.00 C ATOM 1165 CD1 TYR B 82 16.882 24.027 8.117 1.00 0.00 C ATOM 1166 CD2 TYR B 82 18.373 25.752 7.277 1.00 0.00 C ATOM 1167 CE1 TYR B 82 15.847 24.968 8.218 1.00 0.00 C ATOM 1168 CE2 TYR B 82 17.344 26.699 7.373 1.00 0.00 C ATOM 1169 CZ TYR B 82 16.073 26.309 7.846 1.00 0.00 C ATOM 1170 OH TYR B 82 15.069 27.229 7.942 1.00 0.00 O ATOM 0 H TYR B 82 21.785 24.589 8.195 1.00 0.00 H new ATOM 0 HA TYR B 82 19.571 23.308 9.646 1.00 0.00 H new ATOM 0 HB2 TYR B 82 19.853 23.630 6.643 1.00 0.00 H new ATOM 0 HB3 TYR B 82 18.826 22.417 7.382 1.00 0.00 H new ATOM 0 HD1 TYR B 82 16.708 23.000 8.404 1.00 0.00 H new ATOM 0 HD2 TYR B 82 19.347 26.051 6.919 1.00 0.00 H new ATOM 0 HE1 TYR B 82 14.876 24.665 8.581 1.00 0.00 H new ATOM 0 HE2 TYR B 82 17.523 27.724 7.086 1.00 0.00 H new ATOM 0 HH TYR B 82 15.397 28.104 7.646 1.00 0.00 H new ATOM 1180 N ARG B 83 20.431 20.933 8.640 1.00 0.00 N ATOM 1181 CA ARG B 83 21.143 19.661 8.652 1.00 0.00 C ATOM 1182 C ARG B 83 20.536 18.735 7.608 1.00 0.00 C ATOM 1183 O ARG B 83 19.322 18.544 7.580 1.00 0.00 O ATOM 1184 CB ARG B 83 21.024 19.054 10.054 1.00 0.00 C ATOM 1185 CG ARG B 83 22.265 18.241 10.420 1.00 0.00 C ATOM 1186 CD ARG B 83 23.429 19.183 10.722 1.00 0.00 C ATOM 1187 NE ARG B 83 24.630 18.436 11.120 1.00 0.00 N ATOM 1188 CZ ARG B 83 25.473 18.825 12.080 1.00 0.00 C ATOM 1189 NH1 ARG B 83 25.271 19.956 12.750 1.00 0.00 N ATOM 1190 NH2 ARG B 83 26.530 18.072 12.372 1.00 0.00 N ATOM 0 H ARG B 83 19.421 20.842 8.530 1.00 0.00 H new ATOM 0 HA ARG B 83 22.196 19.805 8.411 1.00 0.00 H new ATOM 0 HB2 ARG B 83 20.881 19.850 10.785 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.142 18.415 10.101 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.058 17.614 11.287 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.529 17.573 9.600 1.00 0.00 H new ATOM 0 HD2 ARG B 83 23.649 19.787 9.842 1.00 0.00 H new ATOM 0 HD3 ARG B 83 23.146 19.871 11.518 1.00 0.00 H new ATOM 0 HE ARG B 83 24.833 17.564 10.631 1.00 0.00 H new ATOM 0 HH11 ARG B 83 24.463 20.540 12.533 1.00 0.00 H new ATOM 0 HH12 ARG B 83 25.924 20.240 13.481 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.693 17.203 11.864 1.00 0.00 H new ATOM 0 HH22 ARG B 83 27.177 18.364 13.104 1.00 0.00 H new ATOM 1204 N LEU B 84 21.378 18.157 6.747 1.00 0.00 N ATOM 1205 CA LEU B 84 20.923 17.231 5.720 1.00 0.00 C ATOM 1206 C LEU B 84 20.469 15.932 6.372 1.00 0.00 C ATOM 1207 O LEU B 84 21.007 15.535 7.404 1.00 0.00 O ATOM 1208 CB LEU B 84 22.048 16.942 4.719 1.00 0.00 C ATOM 1209 CG LEU B 84 22.154 18.023 3.637 1.00 0.00 C ATOM 1210 CD1 LEU B 84 22.629 19.349 4.222 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.152 17.566 2.578 1.00 0.00 C ATOM 0 H LEU B 84 22.385 18.319 6.746 1.00 0.00 H new ATOM 0 HA LEU B 84 20.089 17.683 5.184 1.00 0.00 H new ATOM 0 HB2 LEU B 84 22.996 16.870 5.252 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.873 15.975 4.248 1.00 0.00 H new ATOM 0 HG LEU B 84 21.166 18.172 3.202 1.00 0.00 H new ATOM 0 HD11 LEU B 84 22.694 20.094 3.429 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.922 19.686 4.980 1.00 0.00 H new ATOM 0 HD13 LEU B 84 23.611 19.216 4.675 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.235 18.328 1.803 1.00 0.00 H new ATOM 0 HD22 LEU B 84 24.127 17.411 3.040 1.00 0.00 H new ATOM 0 HD23 LEU B 84 22.808 16.632 2.133 1.00 0.00 H new ATOM 1223 N ARG B 85 19.478 15.264 5.770 1.00 0.00 N ATOM 1224 CA ARG B 85 19.058 13.947 6.228 1.00 0.00 C ATOM 1225 C ARG B 85 18.968 12.985 5.054 1.00 0.00 C ATOM 1226 O ARG B 85 18.288 13.262 4.071 1.00 0.00 O ATOM 1227 CB ARG B 85 17.730 14.044 6.980 1.00 0.00 C ATOM 1228 CG ARG B 85 17.849 15.035 8.141 1.00 0.00 C ATOM 1229 CD ARG B 85 16.590 15.003 9.007 1.00 0.00 C ATOM 1230 NE ARG B 85 16.443 13.708 9.690 1.00 0.00 N ATOM 1231 CZ ARG B 85 16.554 13.537 11.010 1.00 0.00 C ATOM 1232 NH1 ARG B 85 16.810 14.565 11.815 1.00 0.00 N ATOM 1233 NH2 ARG B 85 16.410 12.324 11.532 1.00 0.00 N ATOM 0 H ARG B 85 18.957 15.618 4.967 1.00 0.00 H new ATOM 0 HA ARG B 85 19.803 13.556 6.921 1.00 0.00 H new ATOM 0 HB2 ARG B 85 16.941 14.364 6.299 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.446 13.062 7.358 1.00 0.00 H new ATOM 0 HG2 ARG B 85 18.721 14.790 8.748 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.004 16.042 7.753 1.00 0.00 H new ATOM 0 HD2 ARG B 85 16.634 15.803 9.746 1.00 0.00 H new ATOM 0 HD3 ARG B 85 15.714 15.190 8.386 1.00 0.00 H new ATOM 0 HE ARG B 85 16.243 12.887 9.118 1.00 0.00 H new ATOM 0 HH11 ARG B 85 16.925 15.501 11.426 1.00 0.00 H new ATOM 0 HH12 ARG B 85 16.892 14.417 12.821 1.00 0.00 H new ATOM 0 HH21 ARG B 85 16.215 11.527 10.925 1.00 0.00 H new ATOM 0 HH22 ARG B 85 16.494 12.189 12.540 1.00 0.00 H new ATOM 1247 N VAL B 86 19.666 11.853 5.173 1.00 0.00 N ATOM 1248 CA VAL B 86 19.637 10.782 4.187 1.00 0.00 C ATOM 1249 C VAL B 86 19.614 9.428 4.893 1.00 0.00 C ATOM 1250 O VAL B 86 20.650 8.789 5.064 1.00 0.00 O ATOM 1251 CB VAL B 86 20.830 10.894 3.227 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.638 9.939 2.048 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.979 12.317 2.683 1.00 0.00 C ATOM 0 H VAL B 86 20.273 11.657 5.969 1.00 0.00 H new ATOM 0 HA VAL B 86 18.729 10.873 3.590 1.00 0.00 H new ATOM 0 HB VAL B 86 21.729 10.635 3.786 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.487 10.023 1.370 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.567 8.916 2.417 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.722 10.197 1.516 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.833 12.361 2.007 1.00 0.00 H new ATOM 0 HG22 VAL B 86 20.074 12.597 2.143 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.136 13.008 3.511 1.00 0.00 H new ATOM 1263 N GLU B 87 18.420 9.002 5.306 1.00 0.00 N ATOM 1264 CA GLU B 87 18.244 7.755 6.039 1.00 0.00 C ATOM 1265 C GLU B 87 16.902 7.110 5.708 1.00 0.00 C ATOM 1266 O GLU B 87 16.000 7.771 5.199 1.00 0.00 O ATOM 1267 CB GLU B 87 18.342 8.039 7.546 1.00 0.00 C ATOM 1268 CG GLU B 87 17.205 8.975 7.983 1.00 0.00 C ATOM 1269 CD GLU B 87 17.239 9.283 9.480 1.00 0.00 C ATOM 1270 OE1 GLU B 87 18.119 8.724 10.172 1.00 0.00 O ATOM 1271 OE2 GLU B 87 16.376 10.079 9.913 1.00 0.00 O ATOM 0 H GLU B 87 17.552 9.512 5.141 1.00 0.00 H new ATOM 0 HA GLU B 87 19.029 7.058 5.745 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.289 7.104 8.104 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.306 8.493 7.776 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.271 9.907 7.422 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.247 8.519 7.731 1.00 0.00 H new ATOM 1278 N PHE B 88 16.769 5.815 5.995 1.00 0.00 N ATOM 1279 CA PHE B 88 15.524 5.093 5.770 1.00 0.00 C ATOM 1280 C PHE B 88 14.440 5.385 6.810 1.00 0.00 C ATOM 1281 O PHE B 88 14.756 5.713 7.953 1.00 0.00 O ATOM 1282 CB PHE B 88 15.783 3.597 5.601 1.00 0.00 C ATOM 1283 CG PHE B 88 16.839 3.050 6.534 1.00 0.00 C ATOM 1284 CD1 PHE B 88 18.184 3.036 6.138 1.00 0.00 C ATOM 1285 CD2 PHE B 88 16.476 2.557 7.797 1.00 0.00 C ATOM 1286 CE1 PHE B 88 19.166 2.524 7.001 1.00 0.00 C ATOM 1287 CE2 PHE B 88 17.457 2.045 8.658 1.00 0.00 C ATOM 1288 CZ PHE B 88 18.801 2.029 8.259 1.00 0.00 C ATOM 0 H PHE B 88 17.517 5.243 6.387 1.00 0.00 H new ATOM 0 HA PHE B 88 15.115 5.472 4.833 1.00 0.00 H new ATOM 0 HB2 PHE B 88 14.851 3.056 5.765 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.086 3.404 4.572 1.00 0.00 H new ATOM 0 HD1 PHE B 88 18.465 3.419 5.168 1.00 0.00 H new ATOM 0 HD2 PHE B 88 15.441 2.572 8.106 1.00 0.00 H new ATOM 0 HE1 PHE B 88 20.202 2.512 6.695 1.00 0.00 H new ATOM 0 HE2 PHE B 88 17.177 1.663 9.629 1.00 0.00 H new ATOM 0 HZ PHE B 88 19.556 1.634 8.923 1.00 0.00 H new ATOM 1298 N PRO B 89 13.158 5.267 6.424 1.00 0.00 N ATOM 1299 CA PRO B 89 12.032 5.456 7.320 1.00 0.00 C ATOM 1300 C PRO B 89 11.976 4.350 8.369 1.00 0.00 C ATOM 1301 O PRO B 89 11.686 4.683 9.539 1.00 0.00 O ATOM 1302 CB PRO B 89 10.791 5.443 6.426 1.00 0.00 C ATOM 1303 CG PRO B 89 11.224 4.647 5.195 1.00 0.00 C ATOM 1304 CD PRO B 89 12.720 4.936 5.082 1.00 0.00 C ATOM 0 HA PRO B 89 12.110 6.390 7.876 1.00 0.00 H new ATOM 0 HB2 PRO B 89 9.944 4.973 6.927 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.482 6.454 6.158 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.031 3.582 5.319 1.00 0.00 H new ATOM 0 HG3 PRO B 89 10.686 4.967 4.302 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.258 4.070 4.697 1.00 0.00 H new ATOM 0 HD3 PRO B 89 12.909 5.760 4.394 1.00 0.00 H new