USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 764 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 79 TYR OH : rot 70:sc= -0.0106 USER MOD Set 1.2: A 88 SER OG : rot 19:sc= 1.33 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -43:sc= 0.119 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 35 SER OG : rot 131:sc= 0.628 USER MOD Single : A 37 THR OG1 : rot 180:sc= -2.5! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 75:sc= 0.689 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -169:sc= -0.831 (180deg=-1.12) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -159:sc= -0.152 (180deg=-0.749) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= -0.0642 (180deg=-0.403) USER MOD Single : A 68 SER OG : rot 99:sc= 0.0959 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -1.16 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0903 USER MOD Single : A 74 SER OG : rot 28:sc= 1.27 USER MOD Single : A 78 GLN :FLIP amide:sc= -3.52! C(o=-4.8!,f=-3.5!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.11) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= 1.03 (180deg=-0.833) USER MOD Single : A 95 ASN :FLIP amide:sc= -1.04 F(o=-2!,f=-1) USER MOD Single : A 97 THR OG1 : rot -130:sc= -1.51! USER MOD Single : A 102 GLN : amide:sc= -2.53! C(o=-2.5!,f=-3.1!) USER MOD Single : A 103 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.77) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 107 LYS NZ :NH3+ -152:sc= 1.19 (180deg=1.14) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -143:sc= -1.13 (180deg=-3.12!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 5.606 14.529 -13.769 1.00 0.00 N ATOM 205 CA THR A 14 6.461 13.764 -12.891 1.00 0.00 C ATOM 206 C THR A 14 5.652 12.670 -12.187 1.00 0.00 C ATOM 207 O THR A 14 4.504 12.892 -11.792 1.00 0.00 O ATOM 208 CB THR A 14 7.131 14.701 -11.868 1.00 0.00 C ATOM 209 OG1 THR A 14 8.293 14.083 -11.295 1.00 0.00 O ATOM 210 CG2 THR A 14 6.173 15.108 -10.755 1.00 0.00 C ATOM 0 HA THR A 14 7.242 13.281 -13.479 1.00 0.00 H new ATOM 0 HB THR A 14 7.427 15.599 -12.410 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.704 14.695 -10.650 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.687 15.768 -10.056 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.317 15.629 -11.184 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.829 14.218 -10.227 1.00 0.00 H new ATOM 218 N PRO A 15 6.213 11.458 -12.060 1.00 0.00 N ATOM 219 CA PRO A 15 5.574 10.372 -11.327 1.00 0.00 C ATOM 220 C PRO A 15 5.666 10.585 -9.822 1.00 0.00 C ATOM 221 O PRO A 15 6.568 10.065 -9.166 1.00 0.00 O ATOM 222 CB PRO A 15 6.367 9.122 -11.734 1.00 0.00 C ATOM 223 CG PRO A 15 7.285 9.563 -12.829 1.00 0.00 C ATOM 224 CD PRO A 15 7.491 11.040 -12.637 1.00 0.00 C ATOM 0 HA PRO A 15 4.511 10.298 -11.558 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.929 8.723 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.701 8.330 -12.077 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.234 9.028 -12.780 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.852 9.355 -13.807 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.327 11.251 -11.970 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.698 11.548 -13.579 1.00 0.00 H new ATOM 232 N PHE A 16 4.729 11.359 -9.286 1.00 0.00 N ATOM 233 CA PHE A 16 4.732 11.720 -7.872 1.00 0.00 C ATOM 234 C PHE A 16 4.518 10.497 -6.980 1.00 0.00 C ATOM 235 O PHE A 16 4.925 10.484 -5.824 1.00 0.00 O ATOM 236 CB PHE A 16 3.651 12.779 -7.585 1.00 0.00 C ATOM 237 CG PHE A 16 2.240 12.307 -7.823 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.698 12.318 -9.098 1.00 0.00 C ATOM 239 CD2 PHE A 16 1.460 11.854 -6.771 1.00 0.00 C ATOM 240 CE1 PHE A 16 0.405 11.884 -9.318 1.00 0.00 C ATOM 241 CE2 PHE A 16 0.165 11.420 -6.984 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.363 11.433 -8.261 1.00 0.00 C ATOM 0 H PHE A 16 3.950 11.752 -9.815 1.00 0.00 H new ATOM 0 HA PHE A 16 5.712 12.138 -7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.743 13.103 -6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.840 13.652 -8.210 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.292 12.669 -9.928 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.869 11.840 -5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.006 11.897 -10.317 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.433 11.072 -6.155 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.373 11.092 -8.433 1.00 0.00 H new ATOM 252 N TYR A 17 3.888 9.466 -7.530 1.00 0.00 N ATOM 253 CA TYR A 17 3.545 8.286 -6.754 1.00 0.00 C ATOM 254 C TYR A 17 4.735 7.338 -6.641 1.00 0.00 C ATOM 255 O TYR A 17 4.786 6.494 -5.752 1.00 0.00 O ATOM 256 CB TYR A 17 2.359 7.558 -7.402 1.00 0.00 C ATOM 257 CG TYR A 17 2.687 6.897 -8.730 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.723 7.635 -9.906 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.961 5.536 -8.802 1.00 0.00 C ATOM 260 CE1 TYR A 17 3.024 7.036 -11.116 1.00 0.00 C ATOM 261 CE2 TYR A 17 3.264 4.931 -10.007 1.00 0.00 C ATOM 262 CZ TYR A 17 3.295 5.685 -11.161 1.00 0.00 C ATOM 263 OH TYR A 17 3.597 5.084 -12.365 1.00 0.00 O ATOM 0 H TYR A 17 3.606 9.425 -8.509 1.00 0.00 H new ATOM 0 HA TYR A 17 3.268 8.609 -5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.991 6.799 -6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.548 8.270 -7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.513 8.694 -9.875 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.937 4.941 -7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.047 7.624 -12.022 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.476 3.873 -10.045 1.00 0.00 H new ATOM 0 HH TYR A 17 3.763 4.129 -12.221 1.00 0.00 H new ATOM 273 N TYR A 18 5.697 7.494 -7.537 1.00 0.00 N ATOM 274 CA TYR A 18 6.800 6.552 -7.639 1.00 0.00 C ATOM 275 C TYR A 18 7.850 6.832 -6.571 1.00 0.00 C ATOM 276 O TYR A 18 8.174 7.987 -6.287 1.00 0.00 O ATOM 277 CB TYR A 18 7.421 6.632 -9.037 1.00 0.00 C ATOM 278 CG TYR A 18 8.282 5.443 -9.401 1.00 0.00 C ATOM 279 CD1 TYR A 18 7.721 4.322 -9.995 1.00 0.00 C ATOM 280 CD2 TYR A 18 9.649 5.443 -9.155 1.00 0.00 C ATOM 281 CE1 TYR A 18 8.496 3.232 -10.337 1.00 0.00 C ATOM 282 CE2 TYR A 18 10.433 4.359 -9.494 1.00 0.00 C ATOM 283 CZ TYR A 18 9.851 3.253 -10.084 1.00 0.00 C ATOM 284 OH TYR A 18 10.630 2.169 -10.427 1.00 0.00 O ATOM 0 H TYR A 18 5.736 8.264 -8.204 1.00 0.00 H new ATOM 0 HA TYR A 18 6.417 5.544 -7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.622 6.727 -9.772 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.024 7.537 -9.103 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.660 4.302 -10.193 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.106 6.305 -8.691 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.043 2.368 -10.800 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.495 4.375 -9.299 1.00 0.00 H new ATOM 0 HH TYR A 18 11.562 2.346 -10.182 1.00 0.00 H new ATOM 294 N GLY A 19 8.366 5.769 -5.978 1.00 0.00 N ATOM 295 CA GLY A 19 9.379 5.908 -4.956 1.00 0.00 C ATOM 296 C GLY A 19 9.064 5.085 -3.725 1.00 0.00 C ATOM 297 O GLY A 19 8.374 4.064 -3.812 1.00 0.00 O ATOM 0 H GLY A 19 8.100 4.807 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.344 5.601 -5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.469 6.958 -4.676 1.00 0.00 H new ATOM 301 N THR A 20 9.572 5.526 -2.583 1.00 0.00 N ATOM 302 CA THR A 20 9.346 4.839 -1.321 1.00 0.00 C ATOM 303 C THR A 20 8.632 5.761 -0.335 1.00 0.00 C ATOM 304 O THR A 20 9.061 6.897 -0.114 1.00 0.00 O ATOM 305 CB THR A 20 10.679 4.367 -0.707 1.00 0.00 C ATOM 306 OG1 THR A 20 11.517 3.806 -1.728 1.00 0.00 O ATOM 307 CG2 THR A 20 10.441 3.325 0.373 1.00 0.00 C ATOM 0 H THR A 20 10.148 6.364 -2.506 1.00 0.00 H new ATOM 0 HA THR A 20 8.721 3.968 -1.520 1.00 0.00 H new ATOM 0 HB THR A 20 11.170 5.231 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.363 3.510 -1.331 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.397 3.008 0.790 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.825 3.754 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.930 2.464 -0.058 1.00 0.00 H new ATOM 315 N TRP A 21 7.542 5.281 0.240 1.00 0.00 N ATOM 316 CA TRP A 21 6.766 6.071 1.184 1.00 0.00 C ATOM 317 C TRP A 21 6.673 5.362 2.528 1.00 0.00 C ATOM 318 O TRP A 21 6.520 4.146 2.576 1.00 0.00 O ATOM 319 CB TRP A 21 5.351 6.306 0.642 1.00 0.00 C ATOM 320 CG TRP A 21 5.306 6.999 -0.687 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.524 6.441 -1.916 1.00 0.00 C ATOM 322 CD2 TRP A 21 5.007 8.379 -0.922 1.00 0.00 C ATOM 323 NE1 TRP A 21 5.390 7.393 -2.897 1.00 0.00 N ATOM 324 CE2 TRP A 21 5.076 8.592 -2.313 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.698 9.460 -0.091 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.837 9.839 -2.886 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.462 10.696 -0.663 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.537 10.877 -2.047 1.00 0.00 C ATOM 0 H TRP A 21 7.173 4.346 0.070 1.00 0.00 H new ATOM 0 HA TRP A 21 7.270 7.028 1.318 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.844 5.345 0.555 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.791 6.898 1.366 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.766 5.403 -2.090 1.00 0.00 H new ATOM 0 HE1 TRP A 21 5.505 7.233 -3.898 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.645 9.331 0.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.887 9.981 -3.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.216 11.536 -0.030 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.354 11.857 -2.463 1.00 0.00 H new ATOM 339 N ASP A 22 6.782 6.116 3.609 1.00 0.00 N ATOM 340 CA ASP A 22 6.520 5.586 4.944 1.00 0.00 C ATOM 341 C ASP A 22 5.208 6.168 5.439 1.00 0.00 C ATOM 342 O ASP A 22 4.963 7.363 5.268 1.00 0.00 O ATOM 343 CB ASP A 22 7.649 5.949 5.922 1.00 0.00 C ATOM 344 CG ASP A 22 7.564 5.203 7.252 1.00 0.00 C ATOM 345 OD1 ASP A 22 6.540 5.324 7.964 1.00 0.00 O ATOM 346 OD2 ASP A 22 8.537 4.493 7.595 1.00 0.00 O ATOM 0 H ASP A 22 7.051 7.100 3.592 1.00 0.00 H new ATOM 0 HA ASP A 22 6.465 4.499 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.609 5.732 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.623 7.022 6.113 1.00 0.00 H new ATOM 351 N GLU A 23 4.361 5.333 6.024 1.00 0.00 N ATOM 352 CA GLU A 23 3.074 5.792 6.526 1.00 0.00 C ATOM 353 C GLU A 23 3.264 6.968 7.480 1.00 0.00 C ATOM 354 O GLU A 23 2.571 7.981 7.373 1.00 0.00 O ATOM 355 CB GLU A 23 2.328 4.654 7.227 1.00 0.00 C ATOM 356 CG GLU A 23 2.015 3.473 6.319 1.00 0.00 C ATOM 357 CD GLU A 23 1.219 2.391 7.019 1.00 0.00 C ATOM 358 OE1 GLU A 23 1.706 1.861 8.041 1.00 0.00 O ATOM 359 OE2 GLU A 23 0.105 2.068 6.554 1.00 0.00 O ATOM 0 H GLU A 23 4.541 4.339 6.162 1.00 0.00 H new ATOM 0 HA GLU A 23 2.475 6.123 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.926 4.305 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.396 5.042 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.457 3.825 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.948 3.049 5.947 1.00 0.00 H new ATOM 366 N GLY A 24 4.231 6.835 8.390 1.00 0.00 N ATOM 367 CA GLY A 24 4.503 7.876 9.370 1.00 0.00 C ATOM 368 C GLY A 24 3.277 8.261 10.176 1.00 0.00 C ATOM 369 O GLY A 24 3.210 9.356 10.737 1.00 0.00 O ATOM 0 H GLY A 24 4.835 6.017 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.285 7.535 10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.887 8.758 8.858 1.00 0.00 H new ATOM 373 N ARG A 25 2.310 7.356 10.227 1.00 0.00 N ATOM 374 CA ARG A 25 1.041 7.602 10.888 1.00 0.00 C ATOM 375 C ARG A 25 0.268 6.293 10.953 1.00 0.00 C ATOM 376 O ARG A 25 0.437 5.440 10.083 1.00 0.00 O ATOM 377 CB ARG A 25 0.249 8.666 10.114 1.00 0.00 C ATOM 378 CG ARG A 25 -0.970 9.208 10.843 1.00 0.00 C ATOM 379 CD ARG A 25 -1.644 10.324 10.051 1.00 0.00 C ATOM 380 NE ARG A 25 -0.739 11.449 9.797 1.00 0.00 N ATOM 381 CZ ARG A 25 -0.988 12.431 8.927 1.00 0.00 C ATOM 382 NH1 ARG A 25 -2.133 12.460 8.254 1.00 0.00 N ATOM 383 NH2 ARG A 25 -0.091 13.393 8.738 1.00 0.00 N ATOM 0 H ARG A 25 2.386 6.429 9.809 1.00 0.00 H new ATOM 0 HA ARG A 25 1.206 7.974 11.899 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.915 9.497 9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.073 8.240 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.682 8.401 11.014 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.673 9.584 11.822 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.003 9.927 9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.517 10.679 10.598 1.00 0.00 H new ATOM 0 HE ARG A 25 0.137 11.484 10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.829 11.729 8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.316 13.213 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.787 13.381 9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.280 14.143 8.074 1.00 0.00 H new ATOM 397 N ALA A 26 -0.555 6.140 11.990 1.00 0.00 N ATOM 398 CA ALA A 26 -1.308 4.904 12.238 1.00 0.00 C ATOM 399 C ALA A 26 -0.381 3.756 12.656 1.00 0.00 C ATOM 400 O ALA A 26 0.761 3.669 12.206 1.00 0.00 O ATOM 401 CB ALA A 26 -2.147 4.513 11.022 1.00 0.00 C ATOM 0 H ALA A 26 -0.721 6.868 12.684 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.989 5.099 13.067 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.693 3.594 11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.854 5.311 10.796 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.493 4.355 10.164 1.00 0.00 H new ATOM 407 N PRO A 27 -0.853 2.880 13.556 1.00 0.00 N ATOM 408 CA PRO A 27 -0.076 1.735 14.035 1.00 0.00 C ATOM 409 C PRO A 27 -0.061 0.578 13.038 1.00 0.00 C ATOM 410 O PRO A 27 -1.015 0.389 12.277 1.00 0.00 O ATOM 411 CB PRO A 27 -0.796 1.314 15.325 1.00 0.00 C ATOM 412 CG PRO A 27 -1.893 2.313 15.536 1.00 0.00 C ATOM 413 CD PRO A 27 -2.166 2.937 14.200 1.00 0.00 C ATOM 0 HA PRO A 27 0.971 1.999 14.183 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.200 0.306 15.234 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.108 1.307 16.170 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.788 1.829 15.928 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.595 3.068 16.263 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.919 2.384 13.639 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.528 3.961 14.295 1.00 0.00 H new ATOM 421 N GLY A 28 1.013 -0.204 13.063 1.00 0.00 N ATOM 422 CA GLY A 28 1.147 -1.321 12.156 1.00 0.00 C ATOM 423 C GLY A 28 0.879 -2.654 12.830 1.00 0.00 C ATOM 424 O GLY A 28 0.331 -2.698 13.933 1.00 0.00 O ATOM 0 H GLY A 28 1.798 -0.079 13.703 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.455 -1.193 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.153 -1.326 11.737 1.00 0.00 H new ATOM 428 N PRO A 29 1.244 -3.756 12.155 1.00 0.00 N ATOM 429 CA PRO A 29 1.107 -5.126 12.672 1.00 0.00 C ATOM 430 C PRO A 29 1.581 -5.295 14.121 1.00 0.00 C ATOM 431 O PRO A 29 2.508 -4.617 14.576 1.00 0.00 O ATOM 432 CB PRO A 29 1.995 -5.939 11.734 1.00 0.00 C ATOM 433 CG PRO A 29 1.979 -5.191 10.446 1.00 0.00 C ATOM 434 CD PRO A 29 1.805 -3.737 10.794 1.00 0.00 C ATOM 0 HA PRO A 29 0.061 -5.433 12.695 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.008 -6.027 12.127 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.613 -6.952 11.607 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.906 -5.349 9.895 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.166 -5.536 9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.755 -3.203 10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.135 -3.237 10.094 1.00 0.00 H new ATOM 442 N THR A 30 0.963 -6.248 14.815 1.00 0.00 N ATOM 443 CA THR A 30 1.194 -6.461 16.243 1.00 0.00 C ATOM 444 C THR A 30 2.569 -7.079 16.509 1.00 0.00 C ATOM 445 O THR A 30 3.002 -7.185 17.658 1.00 0.00 O ATOM 446 CB THR A 30 0.092 -7.367 16.841 1.00 0.00 C ATOM 447 OG1 THR A 30 0.088 -7.286 18.275 1.00 0.00 O ATOM 448 CG2 THR A 30 0.280 -8.818 16.415 1.00 0.00 C ATOM 0 H THR A 30 0.289 -6.894 14.405 1.00 0.00 H new ATOM 0 HA THR A 30 1.162 -5.484 16.725 1.00 0.00 H new ATOM 0 HB THR A 30 -0.865 -7.011 16.459 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.010 -7.306 18.606 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.509 -9.430 16.851 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.234 -8.887 15.328 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.250 -9.176 16.761 1.00 0.00 H new ATOM 456 N ASP A 31 3.257 -7.468 15.440 1.00 0.00 N ATOM 457 CA ASP A 31 4.591 -8.064 15.546 1.00 0.00 C ATOM 458 C ASP A 31 5.598 -7.055 16.090 1.00 0.00 C ATOM 459 O ASP A 31 6.716 -7.415 16.465 1.00 0.00 O ATOM 460 CB ASP A 31 5.068 -8.565 14.180 1.00 0.00 C ATOM 461 CG ASP A 31 4.086 -9.513 13.524 1.00 0.00 C ATOM 462 OD1 ASP A 31 4.179 -10.739 13.751 1.00 0.00 O ATOM 463 OD2 ASP A 31 3.210 -9.035 12.773 1.00 0.00 O ATOM 0 H ASP A 31 2.913 -7.382 14.484 1.00 0.00 H new ATOM 0 HA ASP A 31 4.522 -8.905 16.236 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.235 -7.711 13.523 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.028 -9.068 14.298 1.00 0.00 H new ATOM 468 N GLY A 32 5.195 -5.791 16.128 1.00 0.00 N ATOM 469 CA GLY A 32 6.060 -4.744 16.628 1.00 0.00 C ATOM 470 C GLY A 32 6.394 -3.730 15.557 1.00 0.00 C ATOM 471 O GLY A 32 7.539 -3.289 15.437 1.00 0.00 O ATOM 0 H GLY A 32 4.277 -5.472 15.818 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.576 -4.242 17.465 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.981 -5.185 17.010 1.00 0.00 H new ATOM 475 N VAL A 33 5.394 -3.362 14.770 1.00 0.00 N ATOM 476 CA VAL A 33 5.591 -2.429 13.675 1.00 0.00 C ATOM 477 C VAL A 33 5.020 -1.065 14.043 1.00 0.00 C ATOM 478 O VAL A 33 3.897 -0.966 14.536 1.00 0.00 O ATOM 479 CB VAL A 33 4.902 -2.931 12.390 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.320 -2.103 11.193 1.00 0.00 C ATOM 481 CG2 VAL A 33 5.209 -4.400 12.157 1.00 0.00 C ATOM 0 H VAL A 33 4.436 -3.697 14.871 1.00 0.00 H new ATOM 0 HA VAL A 33 6.663 -2.347 13.493 1.00 0.00 H new ATOM 0 HB VAL A 33 3.825 -2.820 12.519 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.820 -2.477 10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.041 -1.062 11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.400 -2.173 11.061 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.714 -4.735 11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.286 -4.535 12.055 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.848 -4.986 13.002 1.00 0.00 H new ATOM 491 N LYS A 34 5.790 -0.019 13.794 1.00 0.00 N ATOM 492 CA LYS A 34 5.355 1.336 14.085 1.00 0.00 C ATOM 493 C LYS A 34 4.586 1.909 12.908 1.00 0.00 C ATOM 494 O LYS A 34 3.685 2.728 13.079 1.00 0.00 O ATOM 495 CB LYS A 34 6.565 2.212 14.395 1.00 0.00 C ATOM 496 CG LYS A 34 7.334 1.781 15.632 1.00 0.00 C ATOM 497 CD LYS A 34 8.532 2.682 15.874 1.00 0.00 C ATOM 498 CE LYS A 34 9.339 2.228 17.077 1.00 0.00 C ATOM 499 NZ LYS A 34 10.566 3.042 17.247 1.00 0.00 N ATOM 0 H LYS A 34 6.724 -0.083 13.389 1.00 0.00 H new ATOM 0 HA LYS A 34 4.696 1.315 14.953 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.238 2.201 13.538 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.232 3.242 14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.675 1.806 16.500 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.668 0.750 15.515 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.169 2.687 14.989 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.192 3.706 16.029 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.726 2.300 17.976 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.611 1.179 16.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.094 2.705 18.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.162 2.953 16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.305 4.039 17.384 1.00 0.00 H new ATOM 513 N SER A 35 4.954 1.451 11.725 1.00 0.00 N ATOM 514 CA SER A 35 4.337 1.871 10.475 1.00 0.00 C ATOM 515 C SER A 35 4.953 1.073 9.345 1.00 0.00 C ATOM 516 O SER A 35 5.906 0.316 9.559 1.00 0.00 O ATOM 517 CB SER A 35 4.520 3.379 10.230 1.00 0.00 C ATOM 518 OG SER A 35 5.877 3.773 10.370 1.00 0.00 O ATOM 0 H SER A 35 5.700 0.767 11.601 1.00 0.00 H new ATOM 0 HA SER A 35 3.264 1.685 10.528 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.170 3.630 9.229 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.904 3.939 10.933 1.00 0.00 H new ATOM 0 HG SER A 35 6.144 4.309 9.594 1.00 0.00 H new ATOM 524 N ALA A 36 4.434 1.242 8.154 1.00 0.00 N ATOM 525 CA ALA A 36 4.908 0.478 7.024 1.00 0.00 C ATOM 526 C ALA A 36 5.450 1.388 5.943 1.00 0.00 C ATOM 527 O ALA A 36 5.117 2.574 5.872 1.00 0.00 O ATOM 528 CB ALA A 36 3.784 -0.391 6.475 1.00 0.00 C ATOM 0 H ALA A 36 3.685 1.900 7.941 1.00 0.00 H new ATOM 0 HA ALA A 36 5.721 -0.165 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.150 -0.964 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.440 -1.075 7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.956 0.243 6.157 1.00 0.00 H new ATOM 534 N THR A 37 6.294 0.819 5.114 1.00 0.00 N ATOM 535 CA THR A 37 6.873 1.525 3.998 1.00 0.00 C ATOM 536 C THR A 37 6.444 0.869 2.702 1.00 0.00 C ATOM 537 O THR A 37 6.548 -0.346 2.542 1.00 0.00 O ATOM 538 CB THR A 37 8.411 1.543 4.077 1.00 0.00 C ATOM 539 OG1 THR A 37 8.893 0.298 4.603 1.00 0.00 O ATOM 540 CG2 THR A 37 8.902 2.687 4.945 1.00 0.00 C ATOM 0 H THR A 37 6.599 -0.151 5.196 1.00 0.00 H new ATOM 0 HA THR A 37 6.518 2.555 4.032 1.00 0.00 H new ATOM 0 HB THR A 37 8.797 1.686 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.872 0.319 4.648 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.991 2.674 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.564 3.634 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.503 2.576 5.953 1.00 0.00 H new ATOM 548 N VAL A 38 5.948 1.660 1.784 1.00 0.00 N ATOM 549 CA VAL A 38 5.453 1.131 0.536 1.00 0.00 C ATOM 550 C VAL A 38 6.348 1.583 -0.610 1.00 0.00 C ATOM 551 O VAL A 38 6.696 2.760 -0.723 1.00 0.00 O ATOM 552 CB VAL A 38 3.979 1.536 0.290 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.836 3.035 0.077 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.394 0.760 -0.876 1.00 0.00 C ATOM 0 H VAL A 38 5.876 2.673 1.876 1.00 0.00 H new ATOM 0 HA VAL A 38 5.478 0.043 0.591 1.00 0.00 H new ATOM 0 HB VAL A 38 3.414 1.281 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.788 3.280 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.194 3.564 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.424 3.337 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.358 1.061 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.970 0.968 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.433 -0.307 -0.659 1.00 0.00 H new ATOM 564 N THR A 39 6.769 0.632 -1.418 1.00 0.00 N ATOM 565 CA THR A 39 7.641 0.919 -2.536 1.00 0.00 C ATOM 566 C THR A 39 6.921 0.645 -3.846 1.00 0.00 C ATOM 567 O THR A 39 6.327 -0.423 -4.024 1.00 0.00 O ATOM 568 CB THR A 39 8.922 0.069 -2.456 1.00 0.00 C ATOM 569 OG1 THR A 39 9.448 0.126 -1.122 1.00 0.00 O ATOM 570 CG2 THR A 39 9.971 0.562 -3.443 1.00 0.00 C ATOM 0 H THR A 39 6.519 -0.352 -1.319 1.00 0.00 H new ATOM 0 HA THR A 39 7.918 1.972 -2.494 1.00 0.00 H new ATOM 0 HB THR A 39 8.671 -0.960 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.263 -0.416 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.865 -0.057 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.575 0.499 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.226 1.597 -3.216 1.00 0.00 H new ATOM 578 N PHE A 40 6.964 1.605 -4.755 1.00 0.00 N ATOM 579 CA PHE A 40 6.320 1.446 -6.044 1.00 0.00 C ATOM 580 C PHE A 40 7.360 1.098 -7.093 1.00 0.00 C ATOM 581 O PHE A 40 8.263 1.885 -7.377 1.00 0.00 O ATOM 582 CB PHE A 40 5.574 2.724 -6.441 1.00 0.00 C ATOM 583 CG PHE A 40 4.383 3.030 -5.572 1.00 0.00 C ATOM 584 CD1 PHE A 40 4.543 3.664 -4.351 1.00 0.00 C ATOM 585 CD2 PHE A 40 3.105 2.685 -5.980 1.00 0.00 C ATOM 586 CE1 PHE A 40 3.450 3.946 -3.552 1.00 0.00 C ATOM 587 CE2 PHE A 40 2.008 2.964 -5.188 1.00 0.00 C ATOM 588 CZ PHE A 40 2.179 3.596 -3.973 1.00 0.00 C ATOM 0 H PHE A 40 7.437 2.499 -4.623 1.00 0.00 H new ATOM 0 HA PHE A 40 5.593 0.637 -5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.267 3.565 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.243 2.633 -7.476 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.533 3.941 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.964 2.191 -6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.588 4.439 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.018 2.688 -5.519 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.323 3.817 -3.352 1.00 0.00 H new ATOM 598 N THR A 41 7.223 -0.092 -7.649 1.00 0.00 N ATOM 599 CA THR A 41 8.147 -0.603 -8.643 1.00 0.00 C ATOM 600 C THR A 41 7.526 -0.502 -10.042 1.00 0.00 C ATOM 601 O THR A 41 6.413 0.004 -10.191 1.00 0.00 O ATOM 602 CB THR A 41 8.536 -2.062 -8.326 1.00 0.00 C ATOM 603 OG1 THR A 41 8.280 -2.341 -6.942 1.00 0.00 O ATOM 604 CG2 THR A 41 10.008 -2.315 -8.616 1.00 0.00 C ATOM 0 H THR A 41 6.463 -0.734 -7.422 1.00 0.00 H new ATOM 0 HA THR A 41 9.053 0.002 -8.619 1.00 0.00 H new ATOM 0 HB THR A 41 7.937 -2.715 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.315 -2.442 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.252 -3.351 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.209 -2.123 -9.670 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.619 -1.652 -8.003 1.00 0.00 H new ATOM 612 N GLU A 42 8.260 -0.973 -11.052 1.00 0.00 N ATOM 613 CA GLU A 42 7.840 -0.894 -12.451 1.00 0.00 C ATOM 614 C GLU A 42 6.394 -1.363 -12.660 1.00 0.00 C ATOM 615 O GLU A 42 5.589 -0.652 -13.267 1.00 0.00 O ATOM 616 CB GLU A 42 8.800 -1.729 -13.306 1.00 0.00 C ATOM 617 CG GLU A 42 8.544 -1.632 -14.796 1.00 0.00 C ATOM 618 CD GLU A 42 9.569 -2.399 -15.603 1.00 0.00 C ATOM 619 OE1 GLU A 42 9.351 -3.603 -15.860 1.00 0.00 O ATOM 620 OE2 GLU A 42 10.605 -1.807 -15.975 1.00 0.00 O ATOM 0 H GLU A 42 9.167 -1.422 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 42 7.874 0.152 -12.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.822 -1.410 -13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.725 -2.773 -13.002 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.548 -2.016 -15.018 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.556 -0.585 -15.098 1.00 0.00 H new ATOM 627 N ASP A 43 6.063 -2.546 -12.155 1.00 0.00 N ATOM 628 CA ASP A 43 4.718 -3.097 -12.323 1.00 0.00 C ATOM 629 C ASP A 43 4.217 -3.745 -11.035 1.00 0.00 C ATOM 630 O ASP A 43 3.189 -4.427 -11.035 1.00 0.00 O ATOM 631 CB ASP A 43 4.684 -4.136 -13.450 1.00 0.00 C ATOM 632 CG ASP A 43 4.520 -3.528 -14.832 1.00 0.00 C ATOM 633 OD1 ASP A 43 3.559 -2.761 -15.045 1.00 0.00 O ATOM 634 OD2 ASP A 43 5.327 -3.855 -15.731 1.00 0.00 O ATOM 0 H ASP A 43 6.702 -3.142 -11.628 1.00 0.00 H new ATOM 0 HA ASP A 43 4.064 -2.263 -12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.606 -4.717 -13.425 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.864 -4.831 -13.268 1.00 0.00 H new ATOM 639 N GLU A 44 4.930 -3.534 -9.938 1.00 0.00 N ATOM 640 CA GLU A 44 4.568 -4.163 -8.674 1.00 0.00 C ATOM 641 C GLU A 44 4.716 -3.198 -7.497 1.00 0.00 C ATOM 642 O GLU A 44 5.557 -2.302 -7.514 1.00 0.00 O ATOM 643 CB GLU A 44 5.415 -5.423 -8.429 1.00 0.00 C ATOM 644 CG GLU A 44 6.923 -5.197 -8.485 1.00 0.00 C ATOM 645 CD GLU A 44 7.470 -5.146 -9.899 1.00 0.00 C ATOM 646 OE1 GLU A 44 7.750 -6.221 -10.466 1.00 0.00 O ATOM 647 OE2 GLU A 44 7.618 -4.035 -10.450 1.00 0.00 O ATOM 0 H GLU A 44 5.756 -2.937 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 44 3.518 -4.448 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.159 -5.833 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.146 -6.175 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.163 -4.263 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.424 -5.996 -7.938 1.00 0.00 H new ATOM 654 N VAL A 45 3.879 -3.383 -6.484 1.00 0.00 N ATOM 655 CA VAL A 45 3.954 -2.602 -5.256 1.00 0.00 C ATOM 656 C VAL A 45 4.398 -3.493 -4.102 1.00 0.00 C ATOM 657 O VAL A 45 3.792 -4.536 -3.841 1.00 0.00 O ATOM 658 CB VAL A 45 2.592 -1.956 -4.908 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.631 -1.297 -3.541 1.00 0.00 C ATOM 660 CG2 VAL A 45 2.195 -0.943 -5.962 1.00 0.00 C ATOM 0 H VAL A 45 3.131 -4.077 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 45 4.680 -1.805 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 45 1.846 -2.750 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.660 -0.852 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.865 -2.045 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.396 -0.521 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.234 -0.501 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.952 -0.160 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.113 -1.438 -6.930 1.00 0.00 H new ATOM 670 N VAL A 46 5.462 -3.098 -3.423 1.00 0.00 N ATOM 671 CA VAL A 46 5.970 -3.866 -2.303 1.00 0.00 C ATOM 672 C VAL A 46 5.682 -3.142 -0.994 1.00 0.00 C ATOM 673 O VAL A 46 6.051 -1.976 -0.825 1.00 0.00 O ATOM 674 CB VAL A 46 7.491 -4.110 -2.422 1.00 0.00 C ATOM 675 CG1 VAL A 46 7.996 -4.952 -1.260 1.00 0.00 C ATOM 676 CG2 VAL A 46 7.835 -4.771 -3.750 1.00 0.00 C ATOM 0 H VAL A 46 5.989 -2.250 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 46 5.463 -4.831 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 46 7.989 -3.141 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.069 -5.111 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.796 -4.435 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.485 -5.915 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.912 -4.932 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.321 -5.729 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.519 -4.126 -4.570 1.00 0.00 H new ATOM 686 N GLU A 47 5.010 -3.823 -0.080 1.00 0.00 N ATOM 687 CA GLU A 47 4.775 -3.274 1.242 1.00 0.00 C ATOM 688 C GLU A 47 5.826 -3.822 2.196 1.00 0.00 C ATOM 689 O GLU A 47 6.135 -5.013 2.180 1.00 0.00 O ATOM 690 CB GLU A 47 3.365 -3.604 1.745 1.00 0.00 C ATOM 691 CG GLU A 47 2.989 -2.856 3.017 1.00 0.00 C ATOM 692 CD GLU A 47 1.643 -3.271 3.582 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.587 -4.268 4.330 1.00 0.00 O ATOM 694 OE2 GLU A 47 0.631 -2.598 3.291 1.00 0.00 O ATOM 0 H GLU A 47 4.620 -4.753 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 47 4.851 -2.188 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.643 -3.365 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.294 -4.676 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.759 -3.024 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.974 -1.786 2.810 1.00 0.00 H new ATOM 701 N THR A 48 6.393 -2.943 2.991 1.00 0.00 N ATOM 702 CA THR A 48 7.468 -3.305 3.898 1.00 0.00 C ATOM 703 C THR A 48 7.105 -2.908 5.325 1.00 0.00 C ATOM 704 O THR A 48 6.605 -1.810 5.562 1.00 0.00 O ATOM 705 CB THR A 48 8.774 -2.597 3.491 1.00 0.00 C ATOM 706 OG1 THR A 48 8.851 -2.512 2.062 1.00 0.00 O ATOM 707 CG2 THR A 48 9.994 -3.338 4.012 1.00 0.00 C ATOM 0 H THR A 48 6.126 -1.959 3.030 1.00 0.00 H new ATOM 0 HA THR A 48 7.613 -4.384 3.846 1.00 0.00 H new ATOM 0 HB THR A 48 8.764 -1.599 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.682 -2.060 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.898 -2.811 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.953 -3.387 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.008 -4.349 3.604 1.00 0.00 H new ATOM 715 N GLU A 49 7.348 -3.795 6.268 1.00 0.00 N ATOM 716 CA GLU A 49 6.992 -3.540 7.657 1.00 0.00 C ATOM 717 C GLU A 49 8.228 -3.116 8.441 1.00 0.00 C ATOM 718 O GLU A 49 9.257 -3.791 8.400 1.00 0.00 O ATOM 719 CB GLU A 49 6.362 -4.787 8.287 1.00 0.00 C ATOM 720 CG GLU A 49 5.272 -5.414 7.427 1.00 0.00 C ATOM 721 CD GLU A 49 4.550 -6.564 8.108 1.00 0.00 C ATOM 722 OE1 GLU A 49 5.217 -7.397 8.761 1.00 0.00 O ATOM 723 OE2 GLU A 49 3.309 -6.641 7.990 1.00 0.00 O ATOM 0 H GLU A 49 7.790 -4.699 6.103 1.00 0.00 H new ATOM 0 HA GLU A 49 6.260 -2.733 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.142 -5.527 8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.942 -4.522 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.545 -4.647 7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.715 -5.773 6.498 1.00 0.00 H new ATOM 730 N VAL A 50 8.137 -1.994 9.144 1.00 0.00 N ATOM 731 CA VAL A 50 9.278 -1.482 9.890 1.00 0.00 C ATOM 732 C VAL A 50 9.197 -1.899 11.348 1.00 0.00 C ATOM 733 O VAL A 50 8.315 -1.460 12.092 1.00 0.00 O ATOM 734 CB VAL A 50 9.374 0.056 9.801 1.00 0.00 C ATOM 735 CG1 VAL A 50 10.636 0.559 10.482 1.00 0.00 C ATOM 736 CG2 VAL A 50 9.325 0.518 8.349 1.00 0.00 C ATOM 0 H VAL A 50 7.293 -1.426 9.213 1.00 0.00 H new ATOM 0 HA VAL A 50 10.173 -1.910 9.439 1.00 0.00 H new ATOM 0 HB VAL A 50 8.515 0.479 10.322 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.682 1.645 10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.623 0.269 11.533 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.510 0.124 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.394 1.605 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.159 0.082 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.386 0.198 7.897 1.00 0.00 H new ATOM 746 N MET A 51 10.128 -2.747 11.744 1.00 0.00 N ATOM 747 CA MET A 51 10.183 -3.264 13.091 1.00 0.00 C ATOM 748 C MET A 51 11.498 -2.865 13.746 1.00 0.00 C ATOM 749 O MET A 51 12.551 -3.397 13.393 1.00 0.00 O ATOM 750 CB MET A 51 10.073 -4.784 13.048 1.00 0.00 C ATOM 751 CG MET A 51 8.758 -5.309 12.492 1.00 0.00 C ATOM 752 SD MET A 51 8.702 -7.112 12.454 1.00 0.00 S ATOM 753 CE MET A 51 7.183 -7.384 11.546 1.00 0.00 C ATOM 0 H MET A 51 10.868 -3.095 11.135 1.00 0.00 H new ATOM 0 HA MET A 51 9.358 -2.852 13.672 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.890 -5.177 12.444 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.207 -5.173 14.057 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.934 -4.935 13.100 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.612 -4.922 11.484 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.906 -8.437 11.607 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.388 -6.775 11.976 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.329 -7.107 10.502 1.00 0.00 H new ATOM 763 N GLU A 52 11.446 -1.924 14.682 1.00 0.00 N ATOM 764 CA GLU A 52 12.651 -1.471 15.362 1.00 0.00 C ATOM 765 C GLU A 52 13.294 -2.620 16.129 1.00 0.00 C ATOM 766 O GLU A 52 12.696 -3.185 17.043 1.00 0.00 O ATOM 767 CB GLU A 52 12.344 -0.301 16.300 1.00 0.00 C ATOM 768 CG GLU A 52 13.553 0.177 17.085 1.00 0.00 C ATOM 769 CD GLU A 52 13.323 1.513 17.758 1.00 0.00 C ATOM 770 OE1 GLU A 52 12.410 1.616 18.603 1.00 0.00 O ATOM 771 OE2 GLU A 52 14.046 2.475 17.430 1.00 0.00 O ATOM 0 H GLU A 52 10.588 -1.463 14.985 1.00 0.00 H new ATOM 0 HA GLU A 52 13.356 -1.121 14.608 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.948 0.529 15.715 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.562 -0.600 16.998 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.807 -0.566 17.840 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.409 0.255 16.414 1.00 0.00 H new ATOM 778 N GLY A 53 14.508 -2.970 15.732 1.00 0.00 N ATOM 779 CA GLY A 53 15.186 -4.112 16.305 1.00 0.00 C ATOM 780 C GLY A 53 15.495 -5.131 15.235 1.00 0.00 C ATOM 781 O GLY A 53 16.543 -5.780 15.255 1.00 0.00 O ATOM 0 H GLY A 53 15.040 -2.477 15.015 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.109 -3.791 16.788 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.563 -4.563 17.077 1.00 0.00 H new ATOM 785 N ARG A 54 14.579 -5.248 14.289 1.00 0.00 N ATOM 786 CA ARG A 54 14.743 -6.137 13.155 1.00 0.00 C ATOM 787 C ARG A 54 15.207 -5.340 11.947 1.00 0.00 C ATOM 788 O ARG A 54 16.302 -5.542 11.420 1.00 0.00 O ATOM 789 CB ARG A 54 13.407 -6.792 12.816 1.00 0.00 C ATOM 790 CG ARG A 54 12.657 -7.329 14.018 1.00 0.00 C ATOM 791 CD ARG A 54 13.160 -8.699 14.435 1.00 0.00 C ATOM 792 NE ARG A 54 12.294 -9.323 15.436 1.00 0.00 N ATOM 793 CZ ARG A 54 12.513 -10.528 15.957 1.00 0.00 C ATOM 794 NH1 ARG A 54 13.579 -11.231 15.593 1.00 0.00 N ATOM 795 NH2 ARG A 54 11.673 -11.031 16.848 1.00 0.00 N ATOM 0 H ARG A 54 13.701 -4.729 14.287 1.00 0.00 H new ATOM 0 HA ARG A 54 15.479 -6.900 13.408 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.777 -6.064 12.304 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.583 -7.609 12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.763 -6.635 14.851 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.594 -7.388 13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.223 -9.344 13.558 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.169 -8.607 14.836 1.00 0.00 H new ATOM 0 HE ARG A 54 11.475 -8.804 15.753 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.234 -10.848 14.911 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.743 -12.154 15.995 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.855 -10.495 17.137 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.844 -11.955 17.245 1.00 0.00 H new ATOM 809 N GLY A 55 14.350 -4.414 11.539 1.00 0.00 N ATOM 810 CA GLY A 55 14.580 -3.611 10.356 1.00 0.00 C ATOM 811 C GLY A 55 13.330 -3.569 9.507 1.00 0.00 C ATOM 812 O GLY A 55 12.244 -3.896 9.999 1.00 0.00 O ATOM 0 H GLY A 55 13.477 -4.202 12.022 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.868 -2.600 10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.407 -4.026 9.780 1.00 0.00 H new ATOM 816 N GLU A 56 13.451 -3.153 8.256 1.00 0.00 N ATOM 817 CA GLU A 56 12.356 -3.257 7.326 1.00 0.00 C ATOM 818 C GLU A 56 12.265 -4.667 6.782 1.00 0.00 C ATOM 819 O GLU A 56 13.243 -5.224 6.282 1.00 0.00 O ATOM 820 CB GLU A 56 12.534 -2.277 6.178 1.00 0.00 C ATOM 821 CG GLU A 56 12.500 -0.819 6.592 1.00 0.00 C ATOM 822 CD GLU A 56 13.838 -0.294 7.070 1.00 0.00 C ATOM 823 OE1 GLU A 56 14.846 -0.494 6.360 1.00 0.00 O ATOM 824 OE2 GLU A 56 13.887 0.324 8.153 1.00 0.00 O ATOM 0 H GLU A 56 14.300 -2.741 7.869 1.00 0.00 H new ATOM 0 HA GLU A 56 11.434 -3.015 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.485 -2.481 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.750 -2.452 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.164 -0.218 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.764 -0.692 7.386 1.00 0.00 H new ATOM 831 N VAL A 57 11.089 -5.235 6.894 1.00 0.00 N ATOM 832 CA VAL A 57 10.828 -6.574 6.404 1.00 0.00 C ATOM 833 C VAL A 57 9.902 -6.505 5.198 1.00 0.00 C ATOM 834 O VAL A 57 8.795 -5.973 5.292 1.00 0.00 O ATOM 835 CB VAL A 57 10.192 -7.439 7.508 1.00 0.00 C ATOM 836 CG1 VAL A 57 9.778 -8.804 6.970 1.00 0.00 C ATOM 837 CG2 VAL A 57 11.143 -7.591 8.689 1.00 0.00 C ATOM 0 H VAL A 57 10.283 -4.785 7.327 1.00 0.00 H new ATOM 0 HA VAL A 57 11.772 -7.031 6.109 1.00 0.00 H new ATOM 0 HB VAL A 57 9.293 -6.930 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.332 -9.392 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.051 -8.674 6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.655 -9.324 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.674 -8.206 9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.064 -8.068 8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.372 -6.608 9.101 1.00 0.00 H new ATOM 847 N GLN A 58 10.361 -7.030 4.068 1.00 0.00 N ATOM 848 CA GLN A 58 9.605 -6.966 2.831 1.00 0.00 C ATOM 849 C GLN A 58 8.523 -8.038 2.778 1.00 0.00 C ATOM 850 O GLN A 58 8.784 -9.211 3.038 1.00 0.00 O ATOM 851 CB GLN A 58 10.545 -7.128 1.639 1.00 0.00 C ATOM 852 CG GLN A 58 11.652 -6.090 1.584 1.00 0.00 C ATOM 853 CD GLN A 58 12.459 -6.166 0.301 1.00 0.00 C ATOM 854 OE1 GLN A 58 12.149 -5.494 -0.681 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.488 -6.997 0.291 1.00 0.00 N ATOM 0 H GLN A 58 11.259 -7.507 3.987 1.00 0.00 H new ATOM 0 HA GLN A 58 9.118 -5.992 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.993 -8.121 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.963 -7.073 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.217 -5.095 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.317 -6.228 2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.715 -7.538 1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.055 -7.097 -0.551 1.00 0.00 H new ATOM 864 N LEU A 59 7.310 -7.626 2.447 1.00 0.00 N ATOM 865 CA LEU A 59 6.216 -8.560 2.247 1.00 0.00 C ATOM 866 C LEU A 59 6.145 -8.962 0.778 1.00 0.00 C ATOM 867 O LEU A 59 6.759 -8.313 -0.072 1.00 0.00 O ATOM 868 CB LEU A 59 4.890 -7.928 2.680 1.00 0.00 C ATOM 869 CG LEU A 59 4.765 -7.632 4.174 1.00 0.00 C ATOM 870 CD1 LEU A 59 3.428 -6.977 4.476 1.00 0.00 C ATOM 871 CD2 LEU A 59 4.928 -8.907 4.985 1.00 0.00 C ATOM 0 H LEU A 59 7.058 -6.647 2.311 1.00 0.00 H new ATOM 0 HA LEU A 59 6.394 -9.447 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.753 -6.997 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.077 -8.593 2.389 1.00 0.00 H new ATOM 0 HG LEU A 59 5.559 -6.941 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.356 -6.773 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.348 -6.042 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.620 -7.645 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.836 -8.677 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.155 -9.621 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.910 -9.339 4.791 1.00 0.00 H new ATOM 883 N PRO A 60 5.425 -10.051 0.466 1.00 0.00 N ATOM 884 CA PRO A 60 5.216 -10.493 -0.915 1.00 0.00 C ATOM 885 C PRO A 60 4.751 -9.355 -1.818 1.00 0.00 C ATOM 886 O PRO A 60 3.761 -8.685 -1.524 1.00 0.00 O ATOM 887 CB PRO A 60 4.123 -11.553 -0.784 1.00 0.00 C ATOM 888 CG PRO A 60 4.284 -12.090 0.594 1.00 0.00 C ATOM 889 CD PRO A 60 4.770 -10.944 1.437 1.00 0.00 C ATOM 0 HA PRO A 60 6.134 -10.863 -1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.133 -11.121 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.240 -12.338 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.339 -12.479 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.997 -12.914 0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.947 -10.445 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.466 -11.279 2.206 1.00 0.00 H new ATOM 897 N PHE A 61 5.482 -9.142 -2.905 1.00 0.00 N ATOM 898 CA PHE A 61 5.179 -8.067 -3.837 1.00 0.00 C ATOM 899 C PHE A 61 3.787 -8.237 -4.441 1.00 0.00 C ATOM 900 O PHE A 61 3.376 -9.347 -4.792 1.00 0.00 O ATOM 901 CB PHE A 61 6.239 -7.992 -4.946 1.00 0.00 C ATOM 902 CG PHE A 61 6.431 -9.276 -5.713 1.00 0.00 C ATOM 903 CD1 PHE A 61 7.294 -10.259 -5.247 1.00 0.00 C ATOM 904 CD2 PHE A 61 5.751 -9.499 -6.901 1.00 0.00 C ATOM 905 CE1 PHE A 61 7.473 -11.436 -5.950 1.00 0.00 C ATOM 906 CE2 PHE A 61 5.926 -10.675 -7.608 1.00 0.00 C ATOM 907 CZ PHE A 61 6.788 -11.645 -7.132 1.00 0.00 C ATOM 0 H PHE A 61 6.293 -9.704 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 61 5.194 -7.130 -3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.960 -7.204 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.192 -7.702 -4.502 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.832 -10.102 -4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.076 -8.745 -7.279 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.148 -12.192 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.389 -10.835 -8.531 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.926 -12.564 -7.682 1.00 0.00 H new ATOM 917 N MET A 62 3.063 -7.137 -4.538 1.00 0.00 N ATOM 918 CA MET A 62 1.722 -7.147 -5.093 1.00 0.00 C ATOM 919 C MET A 62 1.714 -6.488 -6.462 1.00 0.00 C ATOM 920 O MET A 62 2.107 -5.332 -6.604 1.00 0.00 O ATOM 921 CB MET A 62 0.748 -6.419 -4.161 1.00 0.00 C ATOM 922 CG MET A 62 0.478 -7.154 -2.855 1.00 0.00 C ATOM 923 SD MET A 62 -0.604 -6.229 -1.742 1.00 0.00 S ATOM 924 CE MET A 62 0.390 -4.770 -1.435 1.00 0.00 C ATOM 0 H MET A 62 3.385 -6.217 -4.237 1.00 0.00 H new ATOM 0 HA MET A 62 1.402 -8.184 -5.195 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.148 -5.431 -3.934 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.196 -6.269 -4.684 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.025 -8.121 -3.074 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.425 -7.352 -2.352 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.059 -4.292 -0.513 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.437 -5.057 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.279 -4.073 -2.266 1.00 0.00 H new ATOM 934 N ALA A 63 1.280 -7.222 -7.470 1.00 0.00 N ATOM 935 CA ALA A 63 1.160 -6.666 -8.806 1.00 0.00 C ATOM 936 C ALA A 63 -0.048 -5.749 -8.855 1.00 0.00 C ATOM 937 O ALA A 63 -1.016 -5.965 -8.141 1.00 0.00 O ATOM 938 CB ALA A 63 1.042 -7.775 -9.841 1.00 0.00 C ATOM 0 H ALA A 63 1.006 -8.201 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 63 2.056 -6.091 -9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.953 -7.337 -10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.930 -8.406 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.159 -8.377 -9.630 1.00 0.00 H new ATOM 944 N TYR A 64 0.016 -4.711 -9.667 1.00 0.00 N ATOM 945 CA TYR A 64 -1.082 -3.767 -9.751 1.00 0.00 C ATOM 946 C TYR A 64 -1.199 -3.219 -11.160 1.00 0.00 C ATOM 947 O TYR A 64 -0.211 -3.155 -11.891 1.00 0.00 O ATOM 948 CB TYR A 64 -0.883 -2.611 -8.758 1.00 0.00 C ATOM 949 CG TYR A 64 0.199 -1.623 -9.152 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.539 -1.979 -9.131 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.127 -0.329 -9.537 1.00 0.00 C ATOM 952 CE1 TYR A 64 2.525 -1.076 -9.484 1.00 0.00 C ATOM 953 CE2 TYR A 64 0.851 0.579 -9.894 1.00 0.00 C ATOM 954 CZ TYR A 64 2.176 0.202 -9.863 1.00 0.00 C ATOM 955 OH TYR A 64 3.154 1.108 -10.208 1.00 0.00 O ATOM 0 H TYR A 64 0.809 -4.501 -10.273 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.002 -4.293 -9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.826 -2.075 -8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.640 -3.026 -7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.818 -2.979 -8.834 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.164 -0.027 -9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.564 -1.371 -9.463 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.578 1.579 -10.196 1.00 0.00 H new ATOM 0 HH TYR A 64 2.738 1.962 -10.451 1.00 0.00 H new ATOM 965 N LYS A 65 -2.403 -2.848 -11.544 1.00 0.00 N ATOM 966 CA LYS A 65 -2.611 -2.176 -12.812 1.00 0.00 C ATOM 967 C LYS A 65 -3.296 -0.847 -12.576 1.00 0.00 C ATOM 968 O LYS A 65 -3.933 -0.633 -11.541 1.00 0.00 O ATOM 969 CB LYS A 65 -3.396 -3.056 -13.804 1.00 0.00 C ATOM 970 CG LYS A 65 -4.841 -3.369 -13.425 1.00 0.00 C ATOM 971 CD LYS A 65 -5.786 -2.220 -13.746 1.00 0.00 C ATOM 972 CE LYS A 65 -7.236 -2.677 -13.788 1.00 0.00 C ATOM 973 NZ LYS A 65 -7.490 -3.612 -14.915 1.00 0.00 N ATOM 0 H LYS A 65 -3.251 -3.000 -10.998 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.640 -1.990 -13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.395 -2.562 -14.776 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.861 -3.998 -13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.167 -4.264 -13.955 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.894 -3.593 -12.360 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.673 -1.436 -12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.514 -1.783 -14.707 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.490 -3.165 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.888 -1.808 -13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.507 -3.623 -15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.959 -3.299 -15.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.183 -4.569 -14.648 1.00 0.00 H new ATOM 987 N VAL A 66 -3.162 0.036 -13.538 1.00 0.00 N ATOM 988 CA VAL A 66 -3.682 1.379 -13.423 1.00 0.00 C ATOM 989 C VAL A 66 -5.040 1.473 -14.096 1.00 0.00 C ATOM 990 O VAL A 66 -5.152 1.347 -15.318 1.00 0.00 O ATOM 991 CB VAL A 66 -2.708 2.391 -14.059 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.297 3.792 -14.048 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.368 2.370 -13.335 1.00 0.00 C ATOM 0 H VAL A 66 -2.690 -0.156 -14.422 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.792 1.618 -12.365 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.546 2.099 -15.097 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.591 4.487 -14.502 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.228 3.800 -14.614 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.495 4.095 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.693 3.090 -13.797 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.516 2.632 -12.287 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.934 1.372 -13.401 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.073 1.676 -13.297 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.422 1.817 -13.813 1.00 0.00 C ATOM 1005 C ILE A 67 -7.582 3.204 -14.402 1.00 0.00 C ATOM 1006 O ILE A 67 -7.961 3.374 -15.560 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.479 1.636 -12.707 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.177 0.410 -11.838 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -9.859 1.524 -13.328 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.153 0.230 -10.693 1.00 0.00 C ATOM 0 H ILE A 67 -6.001 1.747 -12.282 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.574 1.045 -14.567 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.449 2.511 -12.058 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.193 -0.483 -12.463 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.168 0.499 -11.435 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.603 1.396 -12.541 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.079 2.431 -13.892 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.888 0.665 -13.998 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.881 -0.656 -10.119 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.120 1.106 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.161 0.110 -11.090 1.00 0.00 H new ATOM 1022 N SER A 68 -7.270 4.195 -13.584 1.00 0.00 N ATOM 1023 CA SER A 68 -7.332 5.577 -14.000 1.00 0.00 C ATOM 1024 C SER A 68 -6.057 6.274 -13.556 1.00 0.00 C ATOM 1025 O SER A 68 -5.458 5.893 -12.549 1.00 0.00 O ATOM 1026 CB SER A 68 -8.541 6.271 -13.375 1.00 0.00 C ATOM 1027 OG SER A 68 -9.638 5.374 -13.225 1.00 0.00 O ATOM 0 H SER A 68 -6.969 4.061 -12.619 1.00 0.00 H new ATOM 0 HA SER A 68 -7.431 5.625 -15.084 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.266 6.677 -12.402 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.841 7.113 -13.998 1.00 0.00 H new ATOM 0 HG SER A 68 -9.673 5.052 -12.300 1.00 0.00 H new ATOM 1033 N GLN A 69 -5.646 7.287 -14.286 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.409 7.979 -13.968 1.00 0.00 C ATOM 1035 C GLN A 69 -4.538 9.466 -14.216 1.00 0.00 C ATOM 1036 O GLN A 69 -5.025 9.901 -15.259 1.00 0.00 O ATOM 1037 CB GLN A 69 -3.240 7.413 -14.777 1.00 0.00 C ATOM 1038 CG GLN A 69 -1.893 8.017 -14.408 1.00 0.00 C ATOM 1039 CD GLN A 69 -0.749 7.421 -15.204 1.00 0.00 C ATOM 1040 OE1 GLN A 69 -0.396 7.916 -16.272 1.00 0.00 O ATOM 1041 NE2 GLN A 69 -0.164 6.349 -14.691 1.00 0.00 N ATOM 0 H GLN A 69 -6.143 7.651 -15.099 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.208 7.820 -12.908 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.197 6.334 -14.631 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.427 7.584 -15.837 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.924 9.094 -14.574 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.709 7.864 -13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.487 5.968 -13.801 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.609 5.904 -15.186 1.00 0.00 H new ATOM 1050 N SER A 70 -4.111 10.235 -13.236 1.00 0.00 N ATOM 1051 CA SER A 70 -4.105 11.672 -13.336 1.00 0.00 C ATOM 1052 C SER A 70 -3.057 12.253 -12.402 1.00 0.00 C ATOM 1053 O SER A 70 -3.187 12.176 -11.178 1.00 0.00 O ATOM 1054 CB SER A 70 -5.488 12.238 -13.001 1.00 0.00 C ATOM 1055 OG SER A 70 -5.496 13.653 -13.086 1.00 0.00 O ATOM 0 H SER A 70 -3.759 9.877 -12.348 1.00 0.00 H new ATOM 0 HA SER A 70 -3.858 11.951 -14.360 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.229 11.826 -13.686 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.777 11.930 -11.996 1.00 0.00 H new ATOM 0 HG SER A 70 -6.391 13.989 -12.869 1.00 0.00 H new ATOM 1061 N THR A 71 -2.009 12.820 -12.985 1.00 0.00 N ATOM 1062 CA THR A 71 -0.988 13.512 -12.218 1.00 0.00 C ATOM 1063 C THR A 71 -1.550 14.807 -11.647 1.00 0.00 C ATOM 1064 O THR A 71 -0.938 15.450 -10.794 1.00 0.00 O ATOM 1065 CB THR A 71 0.245 13.816 -13.090 1.00 0.00 C ATOM 1066 OG1 THR A 71 -0.158 14.023 -14.452 1.00 0.00 O ATOM 1067 CG2 THR A 71 1.256 12.684 -13.016 1.00 0.00 C ATOM 0 H THR A 71 -1.846 12.813 -13.992 1.00 0.00 H new ATOM 0 HA THR A 71 -0.679 12.862 -11.400 1.00 0.00 H new ATOM 0 HB THR A 71 0.717 14.722 -12.711 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.630 14.217 -15.000 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.117 12.924 -13.640 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.581 12.554 -11.984 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.796 11.762 -13.371 1.00 0.00 H new ATOM 1075 N ASP A 72 -2.736 15.167 -12.127 1.00 0.00 N ATOM 1076 CA ASP A 72 -3.433 16.358 -11.676 1.00 0.00 C ATOM 1077 C ASP A 72 -4.006 16.177 -10.281 1.00 0.00 C ATOM 1078 O ASP A 72 -3.699 16.945 -9.371 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.554 16.717 -12.656 1.00 0.00 C ATOM 1080 CG ASP A 72 -5.511 17.760 -12.105 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -5.125 18.945 -12.021 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -6.662 17.403 -11.770 1.00 0.00 O ATOM 0 H ASP A 72 -3.238 14.638 -12.840 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.708 17.171 -11.639 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.115 17.088 -13.582 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.113 15.815 -12.907 1.00 0.00 H new ATOM 1087 N GLY A 73 -4.820 15.155 -10.110 1.00 0.00 N ATOM 1088 CA GLY A 73 -5.544 15.013 -8.870 1.00 0.00 C ATOM 1089 C GLY A 73 -5.362 13.668 -8.202 1.00 0.00 C ATOM 1090 O GLY A 73 -5.083 13.603 -7.004 1.00 0.00 O ATOM 0 H GLY A 73 -4.993 14.425 -10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.223 15.795 -8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.605 15.172 -9.061 1.00 0.00 H new ATOM 1094 N SER A 74 -5.496 12.586 -8.959 1.00 0.00 N ATOM 1095 CA SER A 74 -5.559 11.269 -8.345 1.00 0.00 C ATOM 1096 C SER A 74 -5.257 10.146 -9.329 1.00 0.00 C ATOM 1097 O SER A 74 -5.441 10.281 -10.538 1.00 0.00 O ATOM 1098 CB SER A 74 -6.946 11.057 -7.728 1.00 0.00 C ATOM 1099 OG SER A 74 -7.028 9.839 -7.003 1.00 0.00 O ATOM 0 H SER A 74 -5.562 12.593 -9.977 1.00 0.00 H new ATOM 0 HA SER A 74 -4.790 11.234 -7.573 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.178 11.890 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.698 11.060 -8.517 1.00 0.00 H new ATOM 0 HG SER A 74 -6.139 9.597 -6.668 1.00 0.00 H new ATOM 1105 N ILE A 75 -4.807 9.033 -8.778 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.521 7.833 -9.546 1.00 0.00 C ATOM 1107 C ILE A 75 -5.279 6.650 -8.939 1.00 0.00 C ATOM 1108 O ILE A 75 -5.338 6.509 -7.717 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.007 7.511 -9.576 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.208 8.728 -10.062 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -2.733 6.296 -10.464 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -0.720 8.474 -10.170 1.00 0.00 C ATOM 0 H ILE A 75 -4.628 8.935 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.845 8.009 -10.572 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.686 7.272 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.587 9.035 -11.037 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.377 9.560 -9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.664 6.085 -10.472 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.270 5.432 -10.074 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.070 6.504 -11.480 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.221 9.378 -10.519 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.326 8.197 -9.192 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.540 7.664 -10.877 1.00 0.00 H new ATOM 1124 N GLU A 76 -5.861 5.819 -9.789 1.00 0.00 N ATOM 1125 CA GLU A 76 -6.643 4.675 -9.332 1.00 0.00 C ATOM 1126 C GLU A 76 -5.998 3.377 -9.808 1.00 0.00 C ATOM 1127 O GLU A 76 -5.785 3.180 -11.006 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.073 4.779 -9.859 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.046 3.788 -9.242 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.468 4.015 -9.718 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -10.768 3.712 -10.893 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.298 4.503 -8.921 1.00 0.00 O ATOM 0 H GLU A 76 -5.808 5.914 -10.803 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.668 4.674 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.440 5.789 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.060 4.632 -10.939 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.738 2.773 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.010 3.873 -8.156 1.00 0.00 H new ATOM 1139 N ILE A 77 -5.709 2.493 -8.868 1.00 0.00 N ATOM 1140 CA ILE A 77 -4.987 1.260 -9.167 1.00 0.00 C ATOM 1141 C ILE A 77 -5.701 0.043 -8.589 1.00 0.00 C ATOM 1142 O ILE A 77 -6.489 0.159 -7.652 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.536 1.296 -8.637 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -3.515 1.577 -7.131 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -2.721 2.339 -9.390 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.131 1.556 -6.521 1.00 0.00 C ATOM 0 H ILE A 77 -5.963 2.604 -7.886 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.959 1.178 -10.254 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.085 0.318 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.967 2.552 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.135 0.837 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.701 2.352 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.705 2.091 -10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.173 3.322 -9.254 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.201 1.764 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.682 0.574 -6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.511 2.315 -6.998 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.425 -1.119 -9.160 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.054 -2.364 -8.733 1.00 0.00 C ATOM 1160 C GLN A 78 -4.987 -3.437 -8.540 1.00 0.00 C ATOM 1161 O GLN A 78 -4.103 -3.588 -9.380 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.088 -2.790 -9.775 1.00 0.00 C ATOM 1163 CG GLN A 78 -7.974 -3.956 -9.368 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.186 -4.073 -10.275 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -10.304 -3.486 -9.859 1.00 0.00 O flip ATOM 1166 NE2 GLN A 78 -9.128 -4.711 -11.325 1.00 0.00 N flip ATOM 0 H GLN A 78 -4.763 -1.228 -9.928 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.564 -2.220 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.723 -1.934 -10.004 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.566 -3.055 -10.695 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.400 -4.882 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.301 -3.824 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.251 -5.147 -11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.957 -4.804 -11.912 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.086 -4.181 -7.443 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.009 -5.080 -7.013 1.00 0.00 C ATOM 1177 C TYR A 79 -4.026 -6.432 -7.718 1.00 0.00 C ATOM 1178 O TYR A 79 -3.221 -7.313 -7.404 1.00 0.00 O ATOM 1179 CB TYR A 79 -4.093 -5.312 -5.514 1.00 0.00 C ATOM 1180 CG TYR A 79 -3.670 -4.125 -4.681 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -2.351 -3.688 -4.680 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -4.592 -3.433 -3.906 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -1.961 -2.599 -3.928 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -4.210 -2.343 -3.150 1.00 0.00 C ATOM 1185 CZ TYR A 79 -2.896 -1.930 -3.166 1.00 0.00 C ATOM 1186 OH TYR A 79 -2.518 -0.845 -2.414 1.00 0.00 O ATOM 0 H TYR A 79 -5.902 -4.182 -6.831 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.077 -4.583 -7.282 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.118 -5.577 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.468 -6.166 -5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.619 -4.210 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.624 -3.753 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.931 -2.273 -3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.937 -1.817 -2.549 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.301 -0.095 -3.007 1.00 0.00 H new ATOM 1196 N LEU A 80 -4.939 -6.585 -8.653 1.00 0.00 N ATOM 1197 CA LEU A 80 -5.078 -7.822 -9.427 1.00 0.00 C ATOM 1198 C LEU A 80 -5.187 -9.052 -8.513 1.00 0.00 C ATOM 1199 O LEU A 80 -5.496 -8.931 -7.326 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.887 -7.974 -10.377 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.790 -6.913 -11.478 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.534 -7.122 -12.310 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -5.029 -6.953 -12.361 1.00 0.00 C ATOM 0 H LEU A 80 -5.611 -5.861 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.000 -7.758 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.969 -7.950 -9.790 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.940 -8.957 -10.846 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.731 -5.931 -11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.481 -6.360 -13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.656 -7.047 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.563 -8.109 -12.771 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.946 -6.194 -13.139 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.116 -7.937 -12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.914 -6.757 -11.755 1.00 0.00 H new ATOM 1215 N GLY A 81 -4.958 -10.238 -9.074 1.00 0.00 N ATOM 1216 CA GLY A 81 -4.956 -11.445 -8.270 1.00 0.00 C ATOM 1217 C GLY A 81 -6.296 -11.685 -7.614 1.00 0.00 C ATOM 1218 O GLY A 81 -7.328 -11.285 -8.156 1.00 0.00 O ATOM 0 H GLY A 81 -4.775 -10.382 -10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.700 -12.299 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.184 -11.370 -7.504 1.00 0.00 H new ATOM 1222 N PRO A 82 -6.318 -12.357 -6.457 1.00 0.00 N ATOM 1223 CA PRO A 82 -7.542 -12.547 -5.676 1.00 0.00 C ATOM 1224 C PRO A 82 -8.039 -11.233 -5.084 1.00 0.00 C ATOM 1225 O PRO A 82 -9.142 -11.155 -4.541 1.00 0.00 O ATOM 1226 CB PRO A 82 -7.117 -13.507 -4.564 1.00 0.00 C ATOM 1227 CG PRO A 82 -5.646 -13.314 -4.436 1.00 0.00 C ATOM 1228 CD PRO A 82 -5.155 -13.003 -5.823 1.00 0.00 C ATOM 0 HA PRO A 82 -8.364 -12.927 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.629 -13.280 -3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.360 -14.539 -4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.416 -12.501 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.166 -14.210 -4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.288 -12.342 -5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.856 -13.906 -6.356 1.00 0.00 H new ATOM 1236 N TYR A 83 -7.210 -10.202 -5.213 1.00 0.00 N ATOM 1237 CA TYR A 83 -7.524 -8.882 -4.695 1.00 0.00 C ATOM 1238 C TYR A 83 -8.102 -8.001 -5.797 1.00 0.00 C ATOM 1239 O TYR A 83 -8.173 -6.784 -5.650 1.00 0.00 O ATOM 1240 CB TYR A 83 -6.271 -8.215 -4.113 1.00 0.00 C ATOM 1241 CG TYR A 83 -5.582 -9.016 -3.027 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -6.149 -9.153 -1.765 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -4.357 -9.627 -3.265 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -5.516 -9.877 -0.772 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -3.718 -10.352 -2.276 1.00 0.00 C ATOM 1246 CZ TYR A 83 -4.301 -10.473 -1.032 1.00 0.00 C ATOM 1247 OH TYR A 83 -3.667 -11.196 -0.044 1.00 0.00 O ATOM 0 H TYR A 83 -6.305 -10.261 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.264 -8.999 -3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.561 -8.036 -4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.547 -7.241 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.100 -8.686 -1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.897 -9.534 -4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.971 -9.975 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.766 -10.822 -2.477 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.822 -11.551 -0.390 1.00 0.00 H new ATOM 1257 N TYR A 84 -8.515 -8.619 -6.904 1.00 0.00 N ATOM 1258 CA TYR A 84 -9.109 -7.888 -8.010 1.00 0.00 C ATOM 1259 C TYR A 84 -10.447 -7.279 -7.570 1.00 0.00 C ATOM 1260 O TYR A 84 -10.930 -7.590 -6.479 1.00 0.00 O ATOM 1261 CB TYR A 84 -9.195 -8.781 -9.269 1.00 0.00 C ATOM 1262 CG TYR A 84 -10.189 -9.929 -9.233 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -10.363 -10.723 -8.106 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -10.938 -10.226 -10.362 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -11.254 -11.779 -8.114 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -11.829 -11.274 -10.377 1.00 0.00 C ATOM 1267 CZ TYR A 84 -11.988 -12.047 -9.252 1.00 0.00 C ATOM 1268 OH TYR A 84 -12.873 -13.101 -9.276 1.00 0.00 O ATOM 0 H TYR A 84 -8.446 -9.626 -7.053 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.473 -7.050 -8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.442 -8.145 -10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.205 -9.196 -9.459 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.794 -10.512 -7.212 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.819 -9.621 -11.249 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -11.376 -12.392 -7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.400 -11.488 -11.268 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.306 -13.145 -10.154 1.00 0.00 H new ATOM 1278 N PRO A 85 -11.132 -6.526 -8.455 1.00 0.00 N ATOM 1279 CA PRO A 85 -11.895 -5.316 -8.172 1.00 0.00 C ATOM 1280 C PRO A 85 -11.779 -4.625 -6.790 1.00 0.00 C ATOM 1281 O PRO A 85 -12.406 -3.585 -6.575 1.00 0.00 O ATOM 1282 CB PRO A 85 -13.282 -5.789 -8.536 1.00 0.00 C ATOM 1283 CG PRO A 85 -13.031 -6.680 -9.736 1.00 0.00 C ATOM 1284 CD PRO A 85 -11.521 -6.908 -9.801 1.00 0.00 C ATOM 0 HA PRO A 85 -11.504 -4.465 -8.730 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.750 -6.336 -7.718 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.941 -4.957 -8.782 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -13.562 -7.626 -9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.392 -6.209 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.268 -7.944 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.042 -6.291 -10.561 1.00 0.00 H new ATOM 1292 N LEU A 86 -11.007 -5.158 -5.864 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.630 -4.398 -4.689 1.00 0.00 C ATOM 1294 C LEU A 86 -9.515 -3.435 -5.088 1.00 0.00 C ATOM 1295 O LEU A 86 -8.370 -3.836 -5.287 1.00 0.00 O ATOM 1296 CB LEU A 86 -10.174 -5.324 -3.558 1.00 0.00 C ATOM 1297 CG LEU A 86 -9.825 -4.622 -2.246 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -11.030 -3.867 -1.709 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -9.326 -5.631 -1.224 1.00 0.00 C ATOM 0 H LEU A 86 -10.631 -6.106 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.489 -3.841 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.963 -6.051 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.301 -5.883 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.029 -3.903 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.763 -3.373 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.345 -3.120 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.847 -4.566 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.081 -5.117 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.103 -6.372 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.436 -6.129 -1.609 1.00 0.00 H new ATOM 1311 N LYS A 87 -9.862 -2.171 -5.240 1.00 0.00 N ATOM 1312 CA LYS A 87 -8.940 -1.198 -5.800 1.00 0.00 C ATOM 1313 C LYS A 87 -8.347 -0.296 -4.725 1.00 0.00 C ATOM 1314 O LYS A 87 -8.752 -0.333 -3.560 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.655 -0.355 -6.856 1.00 0.00 C ATOM 1316 CG LYS A 87 -10.866 0.388 -6.318 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.497 1.269 -7.379 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.669 2.050 -6.818 1.00 0.00 C ATOM 1319 NZ LYS A 87 -13.217 3.027 -7.799 1.00 0.00 N ATOM 0 H LYS A 87 -10.774 -1.793 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.118 -1.744 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.951 0.366 -7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.970 -1.002 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.602 -0.329 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.569 0.999 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.751 1.960 -7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.833 0.654 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.456 1.357 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.353 2.579 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.765 3.754 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.434 3.478 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.836 2.532 -8.473 1.00 0.00 H new ATOM 1333 N SER A 88 -7.380 0.504 -5.132 1.00 0.00 N ATOM 1334 CA SER A 88 -6.747 1.458 -4.254 1.00 0.00 C ATOM 1335 C SER A 88 -6.677 2.811 -4.955 1.00 0.00 C ATOM 1336 O SER A 88 -6.583 2.879 -6.181 1.00 0.00 O ATOM 1337 CB SER A 88 -5.352 0.963 -3.859 1.00 0.00 C ATOM 1338 OG SER A 88 -4.724 1.849 -2.955 1.00 0.00 O ATOM 0 H SER A 88 -7.013 0.507 -6.084 1.00 0.00 H new ATOM 0 HA SER A 88 -7.331 1.568 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.430 -0.025 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.736 0.856 -4.752 1.00 0.00 H new ATOM 0 HG SER A 88 -5.400 2.422 -2.536 1.00 0.00 H new ATOM 1344 N THR A 89 -6.753 3.876 -4.181 1.00 0.00 N ATOM 1345 CA THR A 89 -6.769 5.218 -4.726 1.00 0.00 C ATOM 1346 C THR A 89 -5.644 6.050 -4.130 1.00 0.00 C ATOM 1347 O THR A 89 -5.298 5.895 -2.963 1.00 0.00 O ATOM 1348 CB THR A 89 -8.108 5.908 -4.444 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.172 4.975 -4.668 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.302 7.121 -5.346 1.00 0.00 C ATOM 0 H THR A 89 -6.805 3.836 -3.163 1.00 0.00 H new ATOM 0 HA THR A 89 -6.630 5.138 -5.804 1.00 0.00 H new ATOM 0 HB THR A 89 -8.112 6.247 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.032 5.410 -4.488 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.260 7.590 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.498 7.836 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.286 6.805 -6.389 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.068 6.907 -4.947 1.00 0.00 N ATOM 1359 CA LEU A 90 -3.970 7.763 -4.517 1.00 0.00 C ATOM 1360 C LEU A 90 -4.274 9.216 -4.858 1.00 0.00 C ATOM 1361 O LEU A 90 -4.545 9.537 -6.016 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.667 7.343 -5.206 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.205 5.914 -4.925 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.003 5.566 -5.784 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -1.868 5.744 -3.455 1.00 0.00 C ATOM 0 H LEU A 90 -5.341 7.033 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.855 7.660 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.791 7.461 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.877 8.029 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.019 5.234 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.687 4.545 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.272 5.651 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.186 6.252 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.541 4.720 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.069 6.434 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.751 5.955 -2.852 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.247 10.084 -3.856 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.416 11.519 -4.078 1.00 0.00 C ATOM 1379 C LYS A 91 -3.229 12.289 -3.516 1.00 0.00 C ATOM 1380 O LYS A 91 -2.491 11.779 -2.673 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.724 12.028 -3.457 1.00 0.00 C ATOM 1382 CG LYS A 91 -6.939 11.792 -4.340 1.00 0.00 C ATOM 1383 CD LYS A 91 -8.192 12.469 -3.800 1.00 0.00 C ATOM 1384 CE LYS A 91 -8.805 11.696 -2.642 1.00 0.00 C ATOM 1385 NZ LYS A 91 -9.209 10.323 -3.045 1.00 0.00 N ATOM 0 H LYS A 91 -4.110 9.822 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.466 11.687 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.879 11.535 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.632 13.095 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.733 12.164 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.118 10.720 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.945 13.479 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.926 12.565 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.087 11.638 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.675 12.235 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.828 9.915 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.721 10.363 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.362 9.729 -3.152 1.00 0.00 H new ATOM 1399 N ARG A 92 -3.047 13.512 -3.985 1.00 0.00 N ATOM 1400 CA ARG A 92 -1.906 14.313 -3.583 1.00 0.00 C ATOM 1401 C ARG A 92 -2.146 14.958 -2.219 1.00 0.00 C ATOM 1402 O ARG A 92 -3.276 15.321 -1.878 1.00 0.00 O ATOM 1403 CB ARG A 92 -1.608 15.371 -4.646 1.00 0.00 C ATOM 1404 CG ARG A 92 -2.630 16.487 -4.705 1.00 0.00 C ATOM 1405 CD ARG A 92 -2.359 17.423 -5.875 1.00 0.00 C ATOM 1406 NE ARG A 92 -2.976 18.739 -5.687 1.00 0.00 N ATOM 1407 CZ ARG A 92 -3.233 19.596 -6.679 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -3.064 19.228 -7.943 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -3.688 20.815 -6.407 1.00 0.00 N ATOM 0 H ARG A 92 -3.675 13.971 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.037 13.661 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.626 15.801 -4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.556 14.887 -5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.630 16.063 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.610 17.051 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.283 17.543 -6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.738 16.974 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.225 19.018 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.736 18.287 -8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.262 19.886 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.842 21.098 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.883 21.468 -7.166 1.00 0.00 H new ATOM 1423 N GLY A 93 -1.082 15.071 -1.436 1.00 0.00 N ATOM 1424 CA GLY A 93 -1.183 15.657 -0.119 1.00 0.00 C ATOM 1425 C GLY A 93 -0.743 17.106 -0.095 1.00 0.00 C ATOM 1426 O GLY A 93 -0.401 17.680 -1.131 1.00 0.00 O ATOM 0 H GLY A 93 -0.144 14.764 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.214 15.588 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.573 15.083 0.578 1.00 0.00 H new ATOM 1430 N GLU A 94 -0.721 17.681 1.093 1.00 0.00 N ATOM 1431 CA GLU A 94 -0.493 19.103 1.266 1.00 0.00 C ATOM 1432 C GLU A 94 0.991 19.425 1.457 1.00 0.00 C ATOM 1433 O GLU A 94 1.461 20.498 1.076 1.00 0.00 O ATOM 1434 CB GLU A 94 -1.325 19.611 2.453 1.00 0.00 C ATOM 1435 CG GLU A 94 -0.878 19.122 3.830 1.00 0.00 C ATOM 1436 CD GLU A 94 -0.917 17.613 3.991 1.00 0.00 C ATOM 1437 OE1 GLU A 94 0.102 16.957 3.684 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -1.955 17.082 4.430 1.00 0.00 O ATOM 0 H GLU A 94 -0.861 17.174 1.967 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.809 19.616 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.303 20.701 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.362 19.313 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.138 19.471 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.515 19.575 4.590 1.00 0.00 H new ATOM 1445 N ASN A 95 1.720 18.490 2.038 1.00 0.00 N ATOM 1446 CA ASN A 95 3.155 18.663 2.271 1.00 0.00 C ATOM 1447 C ASN A 95 3.963 17.883 1.244 1.00 0.00 C ATOM 1448 O ASN A 95 5.116 17.523 1.485 1.00 0.00 O ATOM 1449 CB ASN A 95 3.544 18.205 3.686 1.00 0.00 C ATOM 1450 CG ASN A 95 3.016 19.126 4.766 1.00 0.00 C ATOM 1451 OD1 ASN A 95 1.845 18.808 5.283 1.00 0.00 O flip ATOM 1452 ND2 ASN A 95 3.661 20.104 5.138 1.00 0.00 N flip ATOM 0 H ASN A 95 1.347 17.597 2.361 1.00 0.00 H new ATOM 0 HA ASN A 95 3.379 19.725 2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.162 17.198 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.630 18.151 3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.563 20.313 4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.294 20.707 5.875 1.00 0.00 H new ATOM 1459 N GLY A 96 3.370 17.651 0.081 1.00 0.00 N ATOM 1460 CA GLY A 96 4.007 16.805 -0.904 1.00 0.00 C ATOM 1461 C GLY A 96 3.925 15.355 -0.492 1.00 0.00 C ATOM 1462 O GLY A 96 4.859 14.576 -0.690 1.00 0.00 O ATOM 0 H GLY A 96 2.465 18.031 -0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.527 16.941 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.051 17.097 -1.022 1.00 0.00 H new ATOM 1466 N THR A 97 2.792 15.010 0.091 1.00 0.00 N ATOM 1467 CA THR A 97 2.546 13.682 0.607 1.00 0.00 C ATOM 1468 C THR A 97 1.601 12.931 -0.323 1.00 0.00 C ATOM 1469 O THR A 97 1.111 13.495 -1.302 1.00 0.00 O ATOM 1470 CB THR A 97 1.938 13.767 2.022 1.00 0.00 C ATOM 1471 OG1 THR A 97 0.883 14.743 2.035 1.00 0.00 O ATOM 1472 CG2 THR A 97 2.999 14.145 3.046 1.00 0.00 C ATOM 0 H THR A 97 2.010 15.653 0.220 1.00 0.00 H new ATOM 0 HA THR A 97 3.492 13.143 0.663 1.00 0.00 H new ATOM 0 HB THR A 97 1.537 12.788 2.286 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.015 15.357 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.546 14.199 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.787 13.392 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.424 15.115 2.788 1.00 0.00 H new ATOM 1480 N LEU A 98 1.369 11.663 -0.041 1.00 0.00 N ATOM 1481 CA LEU A 98 0.465 10.869 -0.852 1.00 0.00 C ATOM 1482 C LEU A 98 -0.637 10.298 0.024 1.00 0.00 C ATOM 1483 O LEU A 98 -0.376 9.782 1.116 1.00 0.00 O ATOM 1484 CB LEU A 98 1.224 9.744 -1.568 1.00 0.00 C ATOM 1485 CG LEU A 98 0.426 8.979 -2.631 1.00 0.00 C ATOM 1486 CD1 LEU A 98 -0.041 9.916 -3.736 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.266 7.855 -3.217 1.00 0.00 C ATOM 0 H LEU A 98 1.792 11.162 0.740 1.00 0.00 H new ATOM 0 HA LEU A 98 0.018 11.509 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.109 10.170 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.574 9.033 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.453 8.548 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.605 9.351 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.678 10.692 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.824 10.377 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.686 7.322 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.162 8.272 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.554 7.164 -2.424 1.00 0.00 H new ATOM 1499 N ILE A 99 -1.864 10.411 -0.448 1.00 0.00 N ATOM 1500 CA ILE A 99 -3.007 9.881 0.266 1.00 0.00 C ATOM 1501 C ILE A 99 -3.354 8.517 -0.299 1.00 0.00 C ATOM 1502 O ILE A 99 -3.805 8.400 -1.440 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.231 10.820 0.161 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.863 12.220 0.662 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.401 10.252 0.957 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -4.978 13.231 0.515 1.00 0.00 C ATOM 0 H ILE A 99 -2.094 10.869 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.746 9.798 1.321 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.532 10.895 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.578 12.157 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.989 12.574 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.256 10.922 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.669 9.272 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.115 10.155 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.644 14.198 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.249 13.324 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.846 12.901 1.085 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.110 7.495 0.498 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.309 6.126 0.077 1.00 0.00 C ATOM 1520 C TRP A 100 -4.651 5.619 0.584 1.00 0.00 C ATOM 1521 O TRP A 100 -4.866 5.486 1.792 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.162 5.255 0.601 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.213 3.830 0.144 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -2.776 3.351 -1.002 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -1.658 2.700 0.823 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -2.618 1.993 -1.071 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -1.932 1.567 0.037 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -0.959 2.539 2.021 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -1.530 0.288 0.410 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -0.558 1.269 2.391 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -0.846 0.158 1.587 1.00 0.00 C ATOM 0 H TRP A 100 -2.769 7.592 1.454 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.314 6.075 -1.012 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.215 5.692 0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -2.174 5.276 1.691 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.274 3.955 -1.746 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -2.956 1.395 -1.825 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.736 3.391 2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.750 -0.570 -0.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.014 1.131 3.314 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.521 -0.822 1.904 1.00 0.00 H new ATOM 1542 N GLU A 101 -5.555 5.364 -0.339 1.00 0.00 N ATOM 1543 CA GLU A 101 -6.870 4.857 -0.003 1.00 0.00 C ATOM 1544 C GLU A 101 -7.002 3.430 -0.476 1.00 0.00 C ATOM 1545 O GLU A 101 -6.667 3.107 -1.613 1.00 0.00 O ATOM 1546 CB GLU A 101 -7.937 5.729 -0.650 1.00 0.00 C ATOM 1547 CG GLU A 101 -7.965 7.131 -0.081 1.00 0.00 C ATOM 1548 CD GLU A 101 -8.437 8.161 -1.084 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -7.661 8.514 -1.996 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -9.592 8.627 -0.971 1.00 0.00 O ATOM 0 H GLU A 101 -5.401 5.501 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.003 4.882 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.758 5.780 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.914 5.265 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.620 7.152 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.966 7.398 0.265 1.00 0.00 H new ATOM 1557 N GLN A 102 -7.481 2.584 0.398 1.00 0.00 N ATOM 1558 CA GLN A 102 -7.626 1.174 0.086 1.00 0.00 C ATOM 1559 C GLN A 102 -8.753 0.566 0.895 1.00 0.00 C ATOM 1560 O GLN A 102 -8.710 0.594 2.125 1.00 0.00 O ATOM 1561 CB GLN A 102 -6.307 0.433 0.366 1.00 0.00 C ATOM 1562 CG GLN A 102 -6.295 -1.038 -0.056 1.00 0.00 C ATOM 1563 CD GLN A 102 -6.700 -2.003 1.043 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -6.528 -1.727 2.225 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -7.204 -3.165 0.652 1.00 0.00 N ATOM 0 H GLN A 102 -7.781 2.842 1.338 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.868 1.073 -0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.499 0.951 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.093 0.492 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.968 -1.167 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.294 -1.297 -0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.332 -3.357 -0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.464 -3.867 1.345 1.00 0.00 H new ATOM 1574 N ASN A 103 -9.781 0.065 0.209 1.00 0.00 N ATOM 1575 CA ASN A 103 -10.741 -0.837 0.845 1.00 0.00 C ATOM 1576 C ASN A 103 -11.508 -0.131 1.968 1.00 0.00 C ATOM 1577 O ASN A 103 -12.033 -0.760 2.886 1.00 0.00 O ATOM 1578 CB ASN A 103 -9.931 -2.023 1.365 1.00 0.00 C ATOM 1579 CG ASN A 103 -10.715 -3.170 1.948 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -11.894 -3.383 1.650 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -10.011 -3.948 2.751 1.00 0.00 N ATOM 0 H ASN A 103 -9.969 0.265 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.501 -1.170 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.324 -2.407 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.243 -1.658 2.127 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.439 -4.777 3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.039 -3.719 2.960 1.00 0.00 H new ATOM 1588 N GLY A 104 -11.580 1.186 1.872 1.00 0.00 N ATOM 1589 CA GLY A 104 -12.288 1.956 2.866 1.00 0.00 C ATOM 1590 C GLY A 104 -11.367 2.753 3.769 1.00 0.00 C ATOM 1591 O GLY A 104 -11.812 3.689 4.434 1.00 0.00 O ATOM 0 H GLY A 104 -11.160 1.735 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.976 2.638 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.892 1.284 3.475 1.00 0.00 H new ATOM 1595 N GLN A 105 -10.087 2.403 3.803 1.00 0.00 N ATOM 1596 CA GLN A 105 -9.159 3.099 4.682 1.00 0.00 C ATOM 1597 C GLN A 105 -8.479 4.256 3.965 1.00 0.00 C ATOM 1598 O GLN A 105 -8.006 4.114 2.837 1.00 0.00 O ATOM 1599 CB GLN A 105 -8.087 2.145 5.200 1.00 0.00 C ATOM 1600 CG GLN A 105 -8.639 0.943 5.939 1.00 0.00 C ATOM 1601 CD GLN A 105 -7.553 0.164 6.654 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -6.402 0.136 6.220 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -7.907 -0.464 7.762 1.00 0.00 N ATOM 0 H GLN A 105 -9.675 1.656 3.244 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.740 3.489 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.487 1.798 4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.418 2.692 5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.383 1.274 6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.150 0.288 5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.872 -0.416 8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.215 -0.996 8.290 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.453 5.401 4.629 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.708 6.560 4.159 1.00 0.00 C ATOM 1614 C ARG A 106 -6.421 6.714 4.967 1.00 0.00 C ATOM 1615 O ARG A 106 -6.472 6.933 6.177 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.568 7.820 4.297 1.00 0.00 C ATOM 1617 CG ARG A 106 -7.884 9.095 3.832 1.00 0.00 C ATOM 1618 CD ARG A 106 -8.727 10.317 4.161 1.00 0.00 C ATOM 1619 NE ARG A 106 -8.057 11.565 3.797 1.00 0.00 N ATOM 1620 CZ ARG A 106 -7.468 12.374 4.677 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -7.411 12.036 5.959 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -6.930 13.517 4.273 1.00 0.00 N ATOM 0 H ARG A 106 -8.947 5.554 5.508 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.451 6.418 3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.486 7.684 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.857 7.936 5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.908 9.183 4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.710 9.047 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.680 10.251 3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.952 10.325 5.228 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.040 11.832 2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.819 11.155 6.273 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.960 12.657 6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.967 13.778 3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.480 14.135 4.948 1.00 0.00 H new ATOM 1636 N LYS A 107 -5.272 6.591 4.320 1.00 0.00 N ATOM 1637 CA LYS A 107 -4.005 6.818 4.999 1.00 0.00 C ATOM 1638 C LYS A 107 -3.135 7.824 4.260 1.00 0.00 C ATOM 1639 O LYS A 107 -2.736 7.591 3.124 1.00 0.00 O ATOM 1640 CB LYS A 107 -3.245 5.531 5.204 1.00 0.00 C ATOM 1641 CG LYS A 107 -3.453 4.971 6.600 1.00 0.00 C ATOM 1642 CD LYS A 107 -2.697 3.684 6.781 1.00 0.00 C ATOM 1643 CE LYS A 107 -2.938 2.799 5.592 1.00 0.00 C ATOM 1644 NZ LYS A 107 -2.303 1.462 5.751 1.00 0.00 N ATOM 0 H LYS A 107 -5.190 6.338 3.335 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.250 7.234 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.567 4.797 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.182 5.706 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.122 5.699 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.516 4.800 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.631 3.886 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.020 3.183 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.011 2.675 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.547 3.281 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.070 1.075 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.433 1.556 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.962 0.820 6.237 1.00 0.00 H new ATOM 1658 N THR A 108 -2.839 8.938 4.905 1.00 0.00 N ATOM 1659 CA THR A 108 -1.945 9.924 4.325 1.00 0.00 C ATOM 1660 C THR A 108 -0.526 9.656 4.804 1.00 0.00 C ATOM 1661 O THR A 108 -0.227 9.769 5.993 1.00 0.00 O ATOM 1662 CB THR A 108 -2.369 11.353 4.707 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.745 11.557 4.360 1.00 0.00 O ATOM 1664 CG2 THR A 108 -1.511 12.385 3.991 1.00 0.00 C ATOM 0 H THR A 108 -3.203 9.182 5.826 1.00 0.00 H new ATOM 0 HA THR A 108 -1.992 9.841 3.239 1.00 0.00 H new ATOM 0 HB THR A 108 -2.235 11.474 5.782 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.013 12.467 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.831 13.387 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.466 12.245 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.620 12.264 2.913 1.00 0.00 H new ATOM 1672 N MET A 109 0.336 9.283 3.872 1.00 0.00 N ATOM 1673 CA MET A 109 1.684 8.861 4.208 1.00 0.00 C ATOM 1674 C MET A 109 2.713 9.860 3.702 1.00 0.00 C ATOM 1675 O MET A 109 2.436 10.653 2.797 1.00 0.00 O ATOM 1676 CB MET A 109 1.958 7.470 3.633 1.00 0.00 C ATOM 1677 CG MET A 109 1.717 7.363 2.136 1.00 0.00 C ATOM 1678 SD MET A 109 1.868 5.673 1.529 1.00 0.00 S ATOM 1679 CE MET A 109 1.488 5.903 -0.204 1.00 0.00 C ATOM 0 H MET A 109 0.124 9.264 2.874 1.00 0.00 H new ATOM 0 HA MET A 109 1.768 8.817 5.294 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.992 7.197 3.845 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.326 6.745 4.145 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.721 7.741 1.904 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.430 7.999 1.611 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.915 5.050 -0.567 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.903 6.814 -0.330 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.415 5.986 -0.772 1.00 0.00 H new ATOM 1689 N THR A 110 3.899 9.815 4.286 1.00 0.00 N ATOM 1690 CA THR A 110 4.953 10.752 3.951 1.00 0.00 C ATOM 1691 C THR A 110 6.004 10.074 3.079 1.00 0.00 C ATOM 1692 O THR A 110 6.181 8.858 3.133 1.00 0.00 O ATOM 1693 CB THR A 110 5.616 11.302 5.222 1.00 0.00 C ATOM 1694 OG1 THR A 110 4.625 11.452 6.248 1.00 0.00 O ATOM 1695 CG2 THR A 110 6.278 12.648 4.954 1.00 0.00 C ATOM 0 H THR A 110 4.155 9.133 5.000 1.00 0.00 H new ATOM 0 HA THR A 110 4.508 11.581 3.400 1.00 0.00 H new ATOM 0 HB THR A 110 6.384 10.599 5.544 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.046 11.801 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.740 13.015 5.870 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.041 12.531 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.527 13.362 4.615 1.00 0.00 H new ATOM 1703 N ARG A 111 6.698 10.859 2.277 1.00 0.00 N ATOM 1704 CA ARG A 111 7.692 10.309 1.373 1.00 0.00 C ATOM 1705 C ARG A 111 9.033 10.223 2.078 1.00 0.00 C ATOM 1706 O ARG A 111 9.255 10.875 3.104 1.00 0.00 O ATOM 1707 CB ARG A 111 7.818 11.173 0.116 1.00 0.00 C ATOM 1708 CG ARG A 111 8.664 12.411 0.327 1.00 0.00 C ATOM 1709 CD ARG A 111 8.285 13.531 -0.626 1.00 0.00 C ATOM 1710 NE ARG A 111 9.004 14.760 -0.314 1.00 0.00 N ATOM 1711 CZ ARG A 111 8.509 15.984 -0.482 1.00 0.00 C ATOM 1712 NH1 ARG A 111 7.306 16.157 -1.016 1.00 0.00 N ATOM 1713 NH2 ARG A 111 9.223 17.040 -0.123 1.00 0.00 N ATOM 0 H ARG A 111 6.594 11.873 2.232 1.00 0.00 H new ATOM 0 HA ARG A 111 7.375 9.310 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.253 10.576 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.823 11.472 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.551 12.756 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.715 12.159 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.504 13.229 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.211 13.711 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 111 9.950 14.676 0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.753 15.348 -1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.934 17.099 -1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.151 16.915 0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.845 17.979 -0.251 1.00 0.00 H new ATOM 1727 N ILE A 112 9.906 9.412 1.534 1.00 0.00 N ATOM 1728 CA ILE A 112 11.262 9.302 2.031 1.00 0.00 C ATOM 1729 C ILE A 112 12.162 10.222 1.224 1.00 0.00 C ATOM 1730 O ILE A 112 11.878 10.510 0.060 1.00 0.00 O ATOM 1731 CB ILE A 112 11.756 7.850 1.924 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.738 6.913 2.573 1.00 0.00 C ATOM 1733 CG2 ILE A 112 13.126 7.681 2.568 1.00 0.00 C ATOM 1734 CD1 ILE A 112 10.638 7.048 4.079 1.00 0.00 C ATOM 0 H ILE A 112 9.701 8.810 0.737 1.00 0.00 H new ATOM 0 HA ILE A 112 11.287 9.594 3.081 1.00 0.00 H new ATOM 0 HB ILE A 112 11.857 7.596 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.757 7.103 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.002 5.884 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.446 6.643 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.846 8.329 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.068 7.950 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.894 6.348 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.606 6.828 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.342 8.066 4.334 1.00 0.00 H new ATOM 1746 N GLU A 113 13.228 10.689 1.839 1.00 0.00 N ATOM 1747 CA GLU A 113 14.149 11.587 1.165 1.00 0.00 C ATOM 1748 C GLU A 113 14.978 10.812 0.156 1.00 0.00 C ATOM 1749 O GLU A 113 15.879 10.053 0.522 1.00 0.00 O ATOM 1750 CB GLU A 113 15.067 12.314 2.152 1.00 0.00 C ATOM 1751 CG GLU A 113 14.343 13.237 3.126 1.00 0.00 C ATOM 1752 CD GLU A 113 13.633 12.492 4.238 1.00 0.00 C ATOM 1753 OE1 GLU A 113 14.303 12.098 5.213 1.00 0.00 O ATOM 1754 OE2 GLU A 113 12.408 12.279 4.136 1.00 0.00 O ATOM 0 H GLU A 113 13.480 10.464 2.801 1.00 0.00 H new ATOM 0 HA GLU A 113 13.557 12.344 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 113 15.627 11.572 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.794 12.899 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.062 13.930 3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.616 13.836 2.577 1.00 0.00 H new