USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 834 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 57 MET CE :methyl 154:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 CYS SG : rot 67:sc= -0.663 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.4!) USER MOD Single : A 27 GLN : amide:sc= -1.89! K(o=-1.9!,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 31 GLN : amide:sc= -0.719 K(o=-0.72,f=-1.7) USER MOD Single : A 32 SER OG : rot -106:sc= -0.814! USER MOD Single : A 36 MET CE :methyl 179:sc= -1.08 (180deg=-1.1) USER MOD Single : A 43 HIS : no HD1:sc= -0.648 K(o=-0.65,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.2 K(o=-1.2,f=-6.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.0025) USER MOD Single : A 64 ASN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 72 THR OG1 : rot 116:sc= 0.0756 USER MOD Single : A 76 GLN : amide:sc=-0.00543 K(o=-0.0054,f=-1) USER MOD Single : A 77 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.47) USER MOD Single : A 80 SER OG : rot 149:sc= 0.706 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 89 THR OG1 : rot -40:sc= 0.0457 USER MOD Single : A 97 MET CE :methyl -116:sc= -0.588 (180deg=-2.04) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 99 ASN : amide:sc= -1.16! C(o=-1.2!,f=-3.6!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 81:sc= 1.17 USER MOD Single : A 120 MET CE :methyl 168:sc= -0.733 (180deg=-1.35) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 8.953 14.169 -0.683 1.00 0.00 N ATOM 229 CA ARG A 15 10.028 14.979 -0.130 1.00 0.00 C ATOM 230 C ARG A 15 10.183 14.706 1.360 1.00 0.00 C ATOM 231 O ARG A 15 11.178 15.089 1.980 1.00 0.00 O ATOM 232 CB ARG A 15 9.762 16.465 -0.369 1.00 0.00 C ATOM 233 CG ARG A 15 10.935 17.184 -1.016 1.00 0.00 C ATOM 234 CD ARG A 15 11.134 16.738 -2.457 1.00 0.00 C ATOM 235 NE ARG A 15 12.411 17.197 -3.002 1.00 0.00 N ATOM 236 CZ ARG A 15 12.537 18.138 -3.938 1.00 0.00 C ATOM 237 NH1 ARG A 15 11.465 18.755 -4.421 1.00 0.00 N ATOM 238 NH2 ARG A 15 13.742 18.453 -4.396 1.00 0.00 N ATOM 0 HA ARG A 15 10.955 14.709 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.882 16.573 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.530 16.944 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.765 18.260 -0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.843 16.989 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.088 15.650 -2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.319 17.122 -3.071 1.00 0.00 H new ATOM 0 HE ARG A 15 13.263 16.768 -2.642 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.537 18.510 -4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.570 19.474 -5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.567 17.976 -4.032 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.843 19.172 -5.112 1.00 0.00 H new ATOM 252 N ALA A 16 9.186 14.047 1.929 1.00 0.00 N ATOM 253 CA ALA A 16 9.214 13.672 3.329 1.00 0.00 C ATOM 254 C ALA A 16 8.437 12.381 3.544 1.00 0.00 C ATOM 255 O ALA A 16 7.223 12.337 3.333 1.00 0.00 O ATOM 256 CB ALA A 16 8.645 14.789 4.191 1.00 0.00 C ATOM 0 H ALA A 16 8.341 13.760 1.435 1.00 0.00 H new ATOM 0 HA ALA A 16 10.250 13.506 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.674 14.490 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.239 15.693 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.614 14.985 3.898 1.00 0.00 H new ATOM 262 N ALA A 17 9.144 11.336 3.937 1.00 0.00 N ATOM 263 CA ALA A 17 8.520 10.054 4.226 1.00 0.00 C ATOM 264 C ALA A 17 8.704 9.710 5.695 1.00 0.00 C ATOM 265 O ALA A 17 9.811 9.398 6.134 1.00 0.00 O ATOM 266 CB ALA A 17 9.101 8.961 3.339 1.00 0.00 C ATOM 0 H ALA A 17 10.156 11.349 4.064 1.00 0.00 H new ATOM 0 HA ALA A 17 7.453 10.126 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.621 8.010 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.926 9.210 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.173 8.879 3.518 1.00 0.00 H new ATOM 272 N ASP A 18 7.622 9.786 6.450 1.00 0.00 N ATOM 273 CA ASP A 18 7.673 9.559 7.887 1.00 0.00 C ATOM 274 C ASP A 18 6.407 8.841 8.348 1.00 0.00 C ATOM 275 O ASP A 18 5.461 8.682 7.577 1.00 0.00 O ATOM 276 CB ASP A 18 7.838 10.899 8.615 1.00 0.00 C ATOM 277 CG ASP A 18 8.006 10.741 10.110 1.00 0.00 C ATOM 278 OD1 ASP A 18 9.153 10.568 10.568 1.00 0.00 O ATOM 279 OD2 ASP A 18 6.988 10.776 10.831 1.00 0.00 O ATOM 0 H ASP A 18 6.692 10.004 6.091 1.00 0.00 H new ATOM 0 HA ASP A 18 8.528 8.927 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.705 11.422 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.967 11.524 8.417 1.00 0.00 H new ATOM 284 N GLY A 19 6.395 8.401 9.598 1.00 0.00 N ATOM 285 CA GLY A 19 5.247 7.704 10.130 1.00 0.00 C ATOM 286 C GLY A 19 4.073 8.620 10.417 1.00 0.00 C ATOM 287 O GLY A 19 2.918 8.202 10.318 1.00 0.00 O ATOM 0 H GLY A 19 7.166 8.516 10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.936 6.936 9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.534 7.193 11.049 1.00 0.00 H new ATOM 291 N ARG A 20 4.353 9.866 10.775 1.00 0.00 N ATOM 292 CA ARG A 20 3.283 10.806 11.095 1.00 0.00 C ATOM 293 C ARG A 20 3.336 12.011 10.168 1.00 0.00 C ATOM 294 O ARG A 20 2.599 12.979 10.349 1.00 0.00 O ATOM 295 CB ARG A 20 3.357 11.286 12.554 1.00 0.00 C ATOM 296 CG ARG A 20 4.151 10.383 13.487 1.00 0.00 C ATOM 297 CD ARG A 20 5.619 10.781 13.521 1.00 0.00 C ATOM 298 NE ARG A 20 5.802 12.135 14.042 1.00 0.00 N ATOM 299 CZ ARG A 20 6.708 13.002 13.592 1.00 0.00 C ATOM 300 NH1 ARG A 20 7.496 12.693 12.570 1.00 0.00 N ATOM 301 NH2 ARG A 20 6.802 14.192 14.165 1.00 0.00 N ATOM 0 H ARG A 20 5.296 10.247 10.851 1.00 0.00 H new ATOM 0 HA ARG A 20 2.341 10.275 10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.800 12.282 12.571 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.343 11.382 12.941 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.733 10.437 14.492 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.060 9.347 13.160 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.173 10.075 14.140 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.036 10.719 12.516 1.00 0.00 H new ATOM 0 HE ARG A 20 5.194 12.437 14.803 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.412 11.782 12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.185 13.366 12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.185 14.435 14.940 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.491 14.866 13.831 1.00 0.00 H new ATOM 315 N HIS A 21 4.200 11.951 9.168 1.00 0.00 N ATOM 316 CA HIS A 21 4.367 13.065 8.251 1.00 0.00 C ATOM 317 C HIS A 21 4.693 12.576 6.850 1.00 0.00 C ATOM 318 O HIS A 21 5.439 11.619 6.667 1.00 0.00 O ATOM 319 CB HIS A 21 5.459 14.007 8.766 1.00 0.00 C ATOM 320 CG HIS A 21 5.705 15.212 7.908 1.00 0.00 C ATOM 321 ND1 HIS A 21 6.944 15.530 7.406 1.00 0.00 N ATOM 322 CD2 HIS A 21 4.870 16.193 7.490 1.00 0.00 C ATOM 323 CE1 HIS A 21 6.863 16.651 6.715 1.00 0.00 C ATOM 324 NE2 HIS A 21 5.614 17.078 6.749 1.00 0.00 N ATOM 0 H HIS A 21 4.794 11.146 8.971 1.00 0.00 H new ATOM 0 HA HIS A 21 3.426 13.613 8.198 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.189 14.341 9.768 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.390 13.447 8.857 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.813 16.266 7.701 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.682 17.138 6.206 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.261 17.923 6.300 1.00 0.00 H new ATOM 333 N ALA A 22 4.116 13.243 5.873 1.00 0.00 N ATOM 334 CA ALA A 22 4.343 12.923 4.473 1.00 0.00 C ATOM 335 C ALA A 22 4.286 14.193 3.644 1.00 0.00 C ATOM 336 O ALA A 22 3.689 15.181 4.065 1.00 0.00 O ATOM 337 CB ALA A 22 3.314 11.920 3.975 1.00 0.00 C ATOM 0 H ALA A 22 3.476 14.023 6.023 1.00 0.00 H new ATOM 0 HA ALA A 22 5.330 12.472 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.503 11.695 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.386 11.004 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.314 12.341 4.081 1.00 0.00 H new ATOM 343 N LYS A 23 4.918 14.180 2.485 1.00 0.00 N ATOM 344 CA LYS A 23 4.913 15.342 1.612 1.00 0.00 C ATOM 345 C LYS A 23 5.050 14.923 0.156 1.00 0.00 C ATOM 346 O LYS A 23 6.141 14.572 -0.299 1.00 0.00 O ATOM 347 CB LYS A 23 6.047 16.296 2.005 1.00 0.00 C ATOM 348 CG LYS A 23 6.089 17.581 1.193 1.00 0.00 C ATOM 349 CD LYS A 23 7.158 18.524 1.719 1.00 0.00 C ATOM 350 CE LYS A 23 7.218 19.816 0.922 1.00 0.00 C ATOM 351 NZ LYS A 23 8.175 20.782 1.520 1.00 0.00 N ATOM 0 H LYS A 23 5.440 13.381 2.126 1.00 0.00 H new ATOM 0 HA LYS A 23 3.961 15.860 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.945 16.549 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.999 15.777 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.288 17.348 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.116 18.071 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.957 18.752 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.129 18.029 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.513 19.598 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.226 20.265 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.191 21.652 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.879 21.008 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.126 20.362 1.537 1.00 0.00 H new ATOM 365 N VAL A 24 3.938 14.943 -0.565 1.00 0.00 N ATOM 366 CA VAL A 24 3.949 14.636 -1.986 1.00 0.00 C ATOM 367 C VAL A 24 4.140 15.925 -2.772 1.00 0.00 C ATOM 368 O VAL A 24 3.163 16.584 -3.138 1.00 0.00 O ATOM 369 CB VAL A 24 2.644 13.944 -2.440 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.765 13.454 -3.876 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.288 12.795 -1.508 1.00 0.00 C ATOM 0 H VAL A 24 3.017 15.169 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 24 4.771 13.945 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 24 1.839 14.678 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.835 12.970 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.961 14.301 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.585 12.740 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.366 12.323 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.094 12.061 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.149 13.177 -0.497 1.00 0.00 H new ATOM 381 N ASN A 25 5.405 16.286 -2.990 1.00 0.00 N ATOM 382 CA ASN A 25 5.784 17.572 -3.587 1.00 0.00 C ATOM 383 C ASN A 25 5.400 18.742 -2.685 1.00 0.00 C ATOM 384 O ASN A 25 6.266 19.430 -2.145 1.00 0.00 O ATOM 385 CB ASN A 25 5.168 17.763 -4.979 1.00 0.00 C ATOM 386 CG ASN A 25 5.863 16.943 -6.047 1.00 0.00 C ATOM 387 OD1 ASN A 25 7.049 16.630 -5.935 1.00 0.00 O ATOM 388 ND2 ASN A 25 5.135 16.607 -7.099 1.00 0.00 N ATOM 0 H ASN A 25 6.202 15.693 -2.757 1.00 0.00 H new ATOM 0 HA ASN A 25 6.869 17.554 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.114 17.488 -4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.214 18.818 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.553 16.068 -7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.156 16.887 -7.152 1.00 0.00 H new ATOM 395 N GLU A 26 4.105 18.949 -2.520 1.00 0.00 N ATOM 396 CA GLU A 26 3.589 20.059 -1.738 1.00 0.00 C ATOM 397 C GLU A 26 2.652 19.572 -0.637 1.00 0.00 C ATOM 398 O GLU A 26 2.846 19.875 0.542 1.00 0.00 O ATOM 399 CB GLU A 26 2.829 21.027 -2.649 1.00 0.00 C ATOM 400 CG GLU A 26 2.058 22.096 -1.890 1.00 0.00 C ATOM 401 CD GLU A 26 0.991 22.760 -2.733 1.00 0.00 C ATOM 402 OE1 GLU A 26 -0.033 22.107 -3.028 1.00 0.00 O ATOM 403 OE2 GLU A 26 1.157 23.945 -3.087 1.00 0.00 O ATOM 0 H GLU A 26 3.382 18.353 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 26 4.437 20.565 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.536 21.510 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.134 20.460 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.594 21.648 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.754 22.854 -1.531 1.00 0.00 H new ATOM 410 N GLN A 27 1.645 18.805 -1.038 1.00 0.00 N ATOM 411 CA GLN A 27 0.529 18.481 -0.164 1.00 0.00 C ATOM 412 C GLN A 27 0.877 17.369 0.821 1.00 0.00 C ATOM 413 O GLN A 27 1.410 16.322 0.444 1.00 0.00 O ATOM 414 CB GLN A 27 -0.693 18.096 -1.005 1.00 0.00 C ATOM 415 CG GLN A 27 -1.983 17.991 -0.208 1.00 0.00 C ATOM 416 CD GLN A 27 -3.214 18.014 -1.092 1.00 0.00 C ATOM 417 OE1 GLN A 27 -3.745 19.082 -1.398 1.00 0.00 O ATOM 418 NE2 GLN A 27 -3.678 16.845 -1.504 1.00 0.00 N ATOM 0 H GLN A 27 1.581 18.395 -1.970 1.00 0.00 H new ATOM 0 HA GLN A 27 0.297 19.367 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.825 18.835 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.500 17.140 -1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.974 17.069 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.035 18.815 0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.208 15.983 -1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.506 16.806 -2.098 1.00 0.00 H new ATOM 427 N ILE A 28 0.577 17.623 2.087 1.00 0.00 N ATOM 428 CA ILE A 28 0.784 16.652 3.147 1.00 0.00 C ATOM 429 C ILE A 28 -0.449 15.768 3.296 1.00 0.00 C ATOM 430 O ILE A 28 -1.481 16.206 3.806 1.00 0.00 O ATOM 431 CB ILE A 28 1.076 17.351 4.493 1.00 0.00 C ATOM 432 CG1 ILE A 28 2.329 18.227 4.374 1.00 0.00 C ATOM 433 CG2 ILE A 28 1.240 16.325 5.611 1.00 0.00 C ATOM 434 CD1 ILE A 28 2.632 19.029 5.621 1.00 0.00 C ATOM 0 H ILE A 28 0.183 18.508 2.406 1.00 0.00 H new ATOM 0 HA ILE A 28 1.645 16.041 2.877 1.00 0.00 H new ATOM 0 HB ILE A 28 0.228 17.989 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.185 17.592 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.205 18.911 3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.445 16.840 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.323 15.744 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.069 15.658 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.532 19.624 5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.794 19.690 5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.789 18.351 6.460 1.00 0.00 H new ATOM 446 N LEU A 29 -0.349 14.537 2.825 1.00 0.00 N ATOM 447 CA LEU A 29 -1.451 13.595 2.932 1.00 0.00 C ATOM 448 C LEU A 29 -1.391 12.861 4.266 1.00 0.00 C ATOM 449 O LEU A 29 -0.687 11.865 4.413 1.00 0.00 O ATOM 450 CB LEU A 29 -1.428 12.606 1.764 1.00 0.00 C ATOM 451 CG LEU A 29 -1.611 13.237 0.380 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.529 12.181 -0.709 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.937 13.976 0.301 1.00 0.00 C ATOM 0 H LEU A 29 0.483 14.166 2.365 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.389 14.149 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.479 12.070 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.215 11.867 1.917 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.804 13.954 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.662 12.652 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.555 11.694 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.312 11.438 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.049 14.417 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.754 13.278 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.960 14.764 1.054 1.00 0.00 H new ATOM 465 N GLN A 30 -2.130 13.379 5.237 1.00 0.00 N ATOM 466 CA GLN A 30 -2.126 12.841 6.594 1.00 0.00 C ATOM 467 C GLN A 30 -3.117 11.686 6.743 1.00 0.00 C ATOM 468 O GLN A 30 -3.853 11.609 7.730 1.00 0.00 O ATOM 469 CB GLN A 30 -2.456 13.953 7.596 1.00 0.00 C ATOM 470 CG GLN A 30 -3.725 14.723 7.260 1.00 0.00 C ATOM 471 CD GLN A 30 -4.125 15.705 8.347 1.00 0.00 C ATOM 472 OE1 GLN A 30 -3.867 15.485 9.527 1.00 0.00 O ATOM 473 NE2 GLN A 30 -4.761 16.797 7.953 1.00 0.00 N ATOM 0 H GLN A 30 -2.747 14.181 5.109 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.129 12.451 6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.559 13.516 8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.619 14.650 7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.579 15.263 6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.540 14.018 7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.957 16.944 6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.055 17.492 8.640 1.00 0.00 H new ATOM 482 N GLN A 31 -3.122 10.784 5.776 1.00 0.00 N ATOM 483 CA GLN A 31 -3.995 9.618 5.816 1.00 0.00 C ATOM 484 C GLN A 31 -3.316 8.442 5.132 1.00 0.00 C ATOM 485 O GLN A 31 -2.190 8.568 4.647 1.00 0.00 O ATOM 486 CB GLN A 31 -5.338 9.913 5.130 1.00 0.00 C ATOM 487 CG GLN A 31 -5.230 10.155 3.627 1.00 0.00 C ATOM 488 CD GLN A 31 -6.583 10.312 2.954 1.00 0.00 C ATOM 489 OE1 GLN A 31 -6.757 9.970 1.784 1.00 0.00 O ATOM 490 NE2 GLN A 31 -7.553 10.840 3.684 1.00 0.00 N ATOM 0 H GLN A 31 -2.528 10.836 4.948 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.189 9.371 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.015 9.076 5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.788 10.789 5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.636 11.052 3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.696 9.323 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.374 11.112 4.651 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.480 10.975 3.280 1.00 0.00 H new ATOM 499 N SER A 32 -3.983 7.300 5.105 1.00 0.00 N ATOM 500 CA SER A 32 -3.506 6.176 4.329 1.00 0.00 C ATOM 501 C SER A 32 -4.036 6.298 2.910 1.00 0.00 C ATOM 502 O SER A 32 -5.221 6.090 2.660 1.00 0.00 O ATOM 503 CB SER A 32 -3.941 4.849 4.952 1.00 0.00 C ATOM 504 OG SER A 32 -3.337 3.753 4.289 1.00 0.00 O ATOM 0 H SER A 32 -4.853 7.131 5.611 1.00 0.00 H new ATOM 0 HA SER A 32 -2.416 6.188 4.318 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.671 4.833 6.008 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.026 4.757 4.899 1.00 0.00 H new ATOM 0 HG SER A 32 -4.002 3.303 3.728 1.00 0.00 H new ATOM 510 N PHE A 33 -3.167 6.681 1.994 1.00 0.00 N ATOM 511 CA PHE A 33 -3.560 6.840 0.605 1.00 0.00 C ATOM 512 C PHE A 33 -2.913 5.762 -0.249 1.00 0.00 C ATOM 513 O PHE A 33 -1.882 5.194 0.120 1.00 0.00 O ATOM 514 CB PHE A 33 -3.189 8.235 0.089 1.00 0.00 C ATOM 515 CG PHE A 33 -1.714 8.538 0.115 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.114 9.025 1.264 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.936 8.348 -1.016 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.237 9.314 1.286 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.415 8.638 -0.999 1.00 0.00 C ATOM 520 CZ PHE A 33 1.003 9.120 0.153 1.00 0.00 C ATOM 0 H PHE A 33 -2.187 6.888 2.185 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.643 6.735 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.550 8.338 -0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.711 8.981 0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.708 9.181 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.390 7.969 -1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.694 9.691 2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.011 8.488 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.059 9.345 0.169 1.00 0.00 H new ATOM 530 N ILE A 34 -3.521 5.487 -1.391 1.00 0.00 N ATOM 531 CA ILE A 34 -3.017 4.468 -2.290 1.00 0.00 C ATOM 532 C ILE A 34 -2.204 5.111 -3.405 1.00 0.00 C ATOM 533 O ILE A 34 -2.737 5.851 -4.235 1.00 0.00 O ATOM 534 CB ILE A 34 -4.168 3.639 -2.904 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.052 3.062 -1.795 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.610 2.525 -3.781 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.293 2.363 -2.307 1.00 0.00 C ATOM 0 H ILE A 34 -4.366 5.957 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.382 3.798 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.778 4.292 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.466 2.357 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.350 3.868 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.433 1.950 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.016 2.958 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.981 1.868 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.869 1.981 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.902 3.069 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.003 1.535 -2.954 1.00 0.00 H new ATOM 549 N LEU A 35 -0.914 4.835 -3.415 1.00 0.00 N ATOM 550 CA LEU A 35 -0.032 5.405 -4.416 1.00 0.00 C ATOM 551 C LEU A 35 0.340 4.351 -5.446 1.00 0.00 C ATOM 552 O LEU A 35 0.977 3.345 -5.131 1.00 0.00 O ATOM 553 CB LEU A 35 1.229 5.976 -3.760 1.00 0.00 C ATOM 554 CG LEU A 35 2.226 6.628 -4.724 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.578 7.780 -5.470 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.456 7.109 -3.970 1.00 0.00 C ATOM 0 H LEU A 35 -0.454 4.221 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.556 6.218 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.930 6.715 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.737 5.173 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 35 2.536 5.880 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.304 8.228 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.727 7.410 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.237 8.530 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.154 7.570 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.159 7.841 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.938 6.262 -3.481 1.00 0.00 H new ATOM 568 N MET A 36 -0.088 4.581 -6.673 1.00 0.00 N ATOM 569 CA MET A 36 0.205 3.677 -7.768 1.00 0.00 C ATOM 570 C MET A 36 1.148 4.364 -8.740 1.00 0.00 C ATOM 571 O MET A 36 1.084 5.582 -8.903 1.00 0.00 O ATOM 572 CB MET A 36 -1.091 3.273 -8.479 1.00 0.00 C ATOM 573 CG MET A 36 -2.147 2.711 -7.539 1.00 0.00 C ATOM 574 SD MET A 36 -3.700 2.326 -8.371 1.00 0.00 S ATOM 575 CE MET A 36 -3.198 0.970 -9.424 1.00 0.00 C ATOM 0 H MET A 36 -0.645 5.394 -6.937 1.00 0.00 H new ATOM 0 HA MET A 36 0.679 2.775 -7.381 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.500 4.142 -8.994 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.861 2.529 -9.242 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.761 1.808 -7.067 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.337 3.431 -6.743 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.058 0.611 -9.990 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.426 1.311 -10.114 1.00 0.00 H new ATOM 0 HE3 MET A 36 -2.804 0.160 -8.811 1.00 0.00 H new ATOM 585 N PRO A 37 2.045 3.608 -9.389 1.00 0.00 N ATOM 586 CA PRO A 37 3.003 4.164 -10.354 1.00 0.00 C ATOM 587 C PRO A 37 2.336 4.562 -11.673 1.00 0.00 C ATOM 588 O PRO A 37 2.814 4.210 -12.756 1.00 0.00 O ATOM 589 CB PRO A 37 3.983 3.009 -10.576 1.00 0.00 C ATOM 590 CG PRO A 37 3.189 1.780 -10.301 1.00 0.00 C ATOM 591 CD PRO A 37 2.204 2.151 -9.226 1.00 0.00 C ATOM 0 HA PRO A 37 3.472 5.078 -9.988 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.371 3.010 -11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.841 3.084 -9.908 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.675 1.439 -11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.834 0.964 -9.974 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.256 1.628 -9.353 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.578 1.897 -8.234 1.00 0.00 H new ATOM 599 N ASP A 38 1.250 5.318 -11.570 1.00 0.00 N ATOM 600 CA ASP A 38 0.462 5.716 -12.730 1.00 0.00 C ATOM 601 C ASP A 38 -0.615 6.718 -12.321 1.00 0.00 C ATOM 602 O ASP A 38 -0.841 7.713 -13.009 1.00 0.00 O ATOM 603 CB ASP A 38 -0.183 4.488 -13.378 1.00 0.00 C ATOM 604 CG ASP A 38 -0.981 4.830 -14.617 1.00 0.00 C ATOM 605 OD1 ASP A 38 -0.370 5.177 -15.651 1.00 0.00 O ATOM 606 OD2 ASP A 38 -2.223 4.719 -14.575 1.00 0.00 O ATOM 0 H ASP A 38 0.891 5.672 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 38 1.125 6.190 -13.454 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.595 3.770 -13.639 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.836 4.001 -12.654 1.00 0.00 H new ATOM 611 N GLU A 39 -1.264 6.453 -11.189 1.00 0.00 N ATOM 612 CA GLU A 39 -2.317 7.325 -10.674 1.00 0.00 C ATOM 613 C GLU A 39 -2.214 7.456 -9.155 1.00 0.00 C ATOM 614 O GLU A 39 -1.791 6.524 -8.470 1.00 0.00 O ATOM 615 CB GLU A 39 -3.701 6.776 -11.043 1.00 0.00 C ATOM 616 CG GLU A 39 -4.096 6.983 -12.497 1.00 0.00 C ATOM 617 CD GLU A 39 -4.378 8.436 -12.829 1.00 0.00 C ATOM 618 OE1 GLU A 39 -4.869 9.171 -11.944 1.00 0.00 O ATOM 619 OE2 GLU A 39 -4.141 8.846 -13.988 1.00 0.00 O ATOM 0 H GLU A 39 -1.077 5.636 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.188 8.308 -11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.725 5.709 -10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.447 7.251 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.297 6.616 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.982 6.387 -12.717 1.00 0.00 H new ATOM 626 N LEU A 40 -2.602 8.615 -8.639 1.00 0.00 N ATOM 627 CA LEU A 40 -2.625 8.849 -7.200 1.00 0.00 C ATOM 628 C LEU A 40 -4.047 8.699 -6.669 1.00 0.00 C ATOM 629 O LEU A 40 -4.912 9.533 -6.940 1.00 0.00 O ATOM 630 CB LEU A 40 -2.085 10.248 -6.876 1.00 0.00 C ATOM 631 CG LEU A 40 -2.154 10.657 -5.400 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.321 9.719 -4.539 1.00 0.00 C ATOM 633 CD2 LEU A 40 -1.686 12.093 -5.226 1.00 0.00 C ATOM 0 H LEU A 40 -2.907 9.412 -9.198 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.986 8.110 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.046 10.302 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.641 10.978 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.192 10.586 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.385 10.029 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.699 8.701 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.281 9.754 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.741 12.368 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.656 12.185 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.325 12.757 -5.808 1.00 0.00 H new ATOM 645 N VAL A 41 -4.291 7.636 -5.919 1.00 0.00 N ATOM 646 CA VAL A 41 -5.625 7.362 -5.411 1.00 0.00 C ATOM 647 C VAL A 41 -5.760 7.821 -3.961 1.00 0.00 C ATOM 648 O VAL A 41 -5.290 7.158 -3.034 1.00 0.00 O ATOM 649 CB VAL A 41 -5.979 5.863 -5.521 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.395 5.599 -5.031 1.00 0.00 C ATOM 651 CG2 VAL A 41 -5.809 5.376 -6.953 1.00 0.00 C ATOM 0 H VAL A 41 -3.585 6.951 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.326 7.924 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.292 5.307 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.618 4.536 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.481 5.902 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.101 6.169 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.063 4.318 -7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.468 5.943 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.774 5.518 -7.265 1.00 0.00 H new ATOM 661 N GLU A 42 -6.384 8.976 -3.782 1.00 0.00 N ATOM 662 CA GLU A 42 -6.617 9.531 -2.457 1.00 0.00 C ATOM 663 C GLU A 42 -7.980 9.092 -1.930 1.00 0.00 C ATOM 664 O GLU A 42 -8.655 8.262 -2.545 1.00 0.00 O ATOM 665 CB GLU A 42 -6.579 11.058 -2.508 1.00 0.00 C ATOM 666 CG GLU A 42 -5.280 11.646 -3.026 1.00 0.00 C ATOM 667 CD GLU A 42 -5.372 13.149 -3.188 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.317 13.865 -2.167 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.545 13.618 -4.332 1.00 0.00 O ATOM 0 H GLU A 42 -6.741 9.551 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.833 9.165 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.396 11.407 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.763 11.446 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.470 11.403 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.031 11.191 -3.985 1.00 0.00 H new ATOM 676 N HIS A 43 -8.371 9.668 -0.793 1.00 0.00 N ATOM 677 CA HIS A 43 -9.715 9.494 -0.234 1.00 0.00 C ATOM 678 C HIS A 43 -9.943 8.072 0.259 1.00 0.00 C ATOM 679 O HIS A 43 -10.984 7.469 -0.003 1.00 0.00 O ATOM 680 CB HIS A 43 -10.794 9.881 -1.258 1.00 0.00 C ATOM 681 CG HIS A 43 -10.779 11.330 -1.641 1.00 0.00 C ATOM 682 ND1 HIS A 43 -11.604 12.270 -1.065 1.00 0.00 N ATOM 683 CD2 HIS A 43 -10.027 12.002 -2.545 1.00 0.00 C ATOM 684 CE1 HIS A 43 -11.361 13.453 -1.596 1.00 0.00 C ATOM 685 NE2 HIS A 43 -10.406 13.320 -2.496 1.00 0.00 N ATOM 0 H HIS A 43 -7.766 10.268 -0.232 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.792 10.162 0.624 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.662 9.277 -2.156 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.774 9.634 -0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.268 11.578 -3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.860 14.375 -1.337 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.014 14.073 -3.062 1.00 0.00 H new ATOM 694 N TRP A 44 -8.978 7.551 0.996 1.00 0.00 N ATOM 695 CA TRP A 44 -9.107 6.233 1.590 1.00 0.00 C ATOM 696 C TRP A 44 -9.227 6.378 3.108 1.00 0.00 C ATOM 697 O TRP A 44 -8.295 6.838 3.772 1.00 0.00 O ATOM 698 CB TRP A 44 -7.911 5.357 1.206 1.00 0.00 C ATOM 699 CG TRP A 44 -8.156 3.886 1.372 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.328 3.219 1.148 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.202 2.894 1.768 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.164 1.880 1.402 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.866 1.654 1.777 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.848 2.934 2.116 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.228 0.467 2.126 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.214 1.755 2.460 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.902 0.536 2.460 1.00 0.00 C ATOM 0 H TRP A 44 -8.096 8.021 1.197 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.005 5.744 1.213 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.646 5.556 0.168 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.053 5.643 1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.248 3.678 0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.891 1.169 1.324 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.308 3.869 2.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.759 -0.473 2.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.169 1.775 2.734 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.376 -0.368 2.729 1.00 0.00 H new ATOM 718 N PRO A 45 -10.396 6.023 3.668 1.00 0.00 N ATOM 719 CA PRO A 45 -10.699 6.236 5.090 1.00 0.00 C ATOM 720 C PRO A 45 -10.000 5.243 6.023 1.00 0.00 C ATOM 721 O PRO A 45 -10.652 4.513 6.774 1.00 0.00 O ATOM 722 CB PRO A 45 -12.216 6.049 5.148 1.00 0.00 C ATOM 723 CG PRO A 45 -12.527 5.109 4.036 1.00 0.00 C ATOM 724 CD PRO A 45 -11.522 5.391 2.951 1.00 0.00 C ATOM 0 HA PRO A 45 -10.349 7.210 5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.528 5.641 6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.737 6.998 5.021 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.458 4.074 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.544 5.259 3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.212 4.476 2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.932 6.053 2.188 1.00 0.00 H new ATOM 732 N VAL A 46 -8.676 5.232 5.982 1.00 0.00 N ATOM 733 CA VAL A 46 -7.890 4.388 6.870 1.00 0.00 C ATOM 734 C VAL A 46 -6.904 5.231 7.677 1.00 0.00 C ATOM 735 O VAL A 46 -5.906 5.718 7.147 1.00 0.00 O ATOM 736 CB VAL A 46 -7.127 3.293 6.091 1.00 0.00 C ATOM 737 CG1 VAL A 46 -6.263 2.461 7.027 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.100 2.400 5.337 1.00 0.00 C ATOM 0 H VAL A 46 -8.122 5.800 5.341 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.586 3.897 7.550 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.473 3.785 5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.737 1.698 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.538 3.106 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.894 1.982 7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.545 1.635 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.779 1.923 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.674 3.001 4.632 1.00 0.00 H new ATOM 748 N PRO A 47 -7.203 5.460 8.965 1.00 0.00 N ATOM 749 CA PRO A 47 -6.308 6.164 9.880 1.00 0.00 C ATOM 750 C PRO A 47 -5.244 5.233 10.467 1.00 0.00 C ATOM 751 O PRO A 47 -4.047 5.517 10.409 1.00 0.00 O ATOM 752 CB PRO A 47 -7.248 6.674 10.987 1.00 0.00 C ATOM 753 CG PRO A 47 -8.625 6.198 10.627 1.00 0.00 C ATOM 754 CD PRO A 47 -8.452 5.089 9.629 1.00 0.00 C ATOM 0 HA PRO A 47 -5.754 6.959 9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.946 6.288 11.961 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.218 7.762 11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.155 5.844 11.511 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.217 7.010 10.204 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.382 4.114 10.112 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.286 5.038 8.929 1.00 0.00 H new ATOM 762 N SER A 48 -5.694 4.122 11.032 1.00 0.00 N ATOM 763 CA SER A 48 -4.798 3.127 11.600 1.00 0.00 C ATOM 764 C SER A 48 -4.967 1.797 10.880 1.00 0.00 C ATOM 765 O SER A 48 -5.939 1.602 10.151 1.00 0.00 O ATOM 766 CB SER A 48 -5.070 2.958 13.096 1.00 0.00 C ATOM 767 OG SER A 48 -4.649 4.098 13.827 1.00 0.00 O ATOM 0 H SER A 48 -6.683 3.886 11.109 1.00 0.00 H new ATOM 0 HA SER A 48 -3.771 3.468 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.135 2.792 13.258 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.550 2.074 13.465 1.00 0.00 H new ATOM 0 HG SER A 48 -4.836 3.963 14.779 1.00 0.00 H new ATOM 773 N LEU A 49 -4.031 0.880 11.095 1.00 0.00 N ATOM 774 CA LEU A 49 -4.060 -0.412 10.418 1.00 0.00 C ATOM 775 C LEU A 49 -5.225 -1.260 10.919 1.00 0.00 C ATOM 776 O LEU A 49 -5.678 -2.176 10.238 1.00 0.00 O ATOM 777 CB LEU A 49 -2.739 -1.155 10.619 1.00 0.00 C ATOM 778 CG LEU A 49 -2.617 -2.470 9.846 1.00 0.00 C ATOM 779 CD1 LEU A 49 -2.756 -2.224 8.353 1.00 0.00 C ATOM 780 CD2 LEU A 49 -1.293 -3.147 10.152 1.00 0.00 C ATOM 0 H LEU A 49 -3.244 1.006 11.731 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.199 -0.232 9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.921 -0.499 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.613 -1.362 11.682 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.423 -3.132 10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.667 -3.170 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.730 -1.781 8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.971 -1.544 8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.224 -4.080 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.473 -2.490 9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.230 -3.358 11.220 1.00 0.00 H new ATOM 792 N GLY A 50 -5.722 -0.929 12.104 1.00 0.00 N ATOM 793 CA GLY A 50 -6.871 -1.626 12.652 1.00 0.00 C ATOM 794 C GLY A 50 -8.152 -1.322 11.893 1.00 0.00 C ATOM 795 O GLY A 50 -9.209 -1.876 12.195 1.00 0.00 O ATOM 0 H GLY A 50 -5.349 -0.188 12.697 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.685 -2.700 12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.997 -1.346 13.698 1.00 0.00 H new ATOM 799 N GLN A 51 -8.060 -0.426 10.916 1.00 0.00 N ATOM 800 CA GLN A 51 -9.189 -0.095 10.060 1.00 0.00 C ATOM 801 C GLN A 51 -9.175 -0.977 8.809 1.00 0.00 C ATOM 802 O GLN A 51 -10.133 -0.993 8.031 1.00 0.00 O ATOM 803 CB GLN A 51 -9.135 1.392 9.677 1.00 0.00 C ATOM 804 CG GLN A 51 -10.303 1.876 8.825 1.00 0.00 C ATOM 805 CD GLN A 51 -11.636 1.863 9.556 1.00 0.00 C ATOM 806 OE1 GLN A 51 -11.873 1.038 10.439 1.00 0.00 O ATOM 807 NE2 GLN A 51 -12.513 2.786 9.193 1.00 0.00 N ATOM 0 H GLN A 51 -7.206 0.087 10.698 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.117 -0.281 10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.099 1.987 10.590 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.207 1.580 9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -10.096 2.890 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.379 1.248 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.278 3.451 8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.424 2.832 9.650 1.00 0.00 H new ATOM 816 N LEU A 52 -8.087 -1.721 8.631 1.00 0.00 N ATOM 817 CA LEU A 52 -7.933 -2.586 7.468 1.00 0.00 C ATOM 818 C LEU A 52 -8.914 -3.751 7.532 1.00 0.00 C ATOM 819 O LEU A 52 -8.768 -4.670 8.343 1.00 0.00 O ATOM 820 CB LEU A 52 -6.496 -3.109 7.365 1.00 0.00 C ATOM 821 CG LEU A 52 -6.197 -3.949 6.120 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.399 -3.127 4.856 1.00 0.00 C ATOM 823 CD2 LEU A 52 -4.780 -4.496 6.178 1.00 0.00 C ATOM 0 H LEU A 52 -7.299 -1.741 9.278 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.150 -1.996 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.814 -2.259 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.280 -3.709 8.249 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.892 -4.788 6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.181 -3.742 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.432 -2.781 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.729 -2.267 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.583 -5.091 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.072 -3.668 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.667 -5.122 7.063 1.00 0.00 H new ATOM 835 N GLN A 53 -9.915 -3.688 6.672 1.00 0.00 N ATOM 836 CA GLN A 53 -10.959 -4.693 6.610 1.00 0.00 C ATOM 837 C GLN A 53 -11.385 -4.856 5.154 1.00 0.00 C ATOM 838 O GLN A 53 -11.381 -3.873 4.411 1.00 0.00 O ATOM 839 CB GLN A 53 -12.142 -4.248 7.481 1.00 0.00 C ATOM 840 CG GLN A 53 -13.214 -5.305 7.681 1.00 0.00 C ATOM 841 CD GLN A 53 -14.371 -4.803 8.521 1.00 0.00 C ATOM 842 OE1 GLN A 53 -15.345 -4.264 7.996 1.00 0.00 O ATOM 843 NE2 GLN A 53 -14.279 -4.984 9.828 1.00 0.00 N ATOM 0 H GLN A 53 -10.026 -2.934 5.994 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.598 -5.650 6.986 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.763 -3.944 8.457 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.598 -3.368 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.587 -5.628 6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.773 -6.179 8.160 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.454 -5.435 10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.033 -4.672 10.440 1.00 0.00 H new ATOM 852 N PRO A 54 -11.726 -6.087 4.718 1.00 0.00 N ATOM 853 CA PRO A 54 -12.116 -6.377 3.327 1.00 0.00 C ATOM 854 C PRO A 54 -13.066 -5.339 2.719 1.00 0.00 C ATOM 855 O PRO A 54 -12.891 -4.932 1.571 1.00 0.00 O ATOM 856 CB PRO A 54 -12.806 -7.732 3.444 1.00 0.00 C ATOM 857 CG PRO A 54 -12.104 -8.404 4.570 1.00 0.00 C ATOM 858 CD PRO A 54 -11.736 -7.315 5.545 1.00 0.00 C ATOM 0 HA PRO A 54 -11.254 -6.362 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.871 -7.620 3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.717 -8.305 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.747 -9.148 5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.215 -8.928 4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.460 -7.244 6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.763 -7.498 6.000 1.00 0.00 H new ATOM 866 N ALA A 55 -14.055 -4.902 3.497 1.00 0.00 N ATOM 867 CA ALA A 55 -15.027 -3.909 3.034 1.00 0.00 C ATOM 868 C ALA A 55 -14.354 -2.607 2.590 1.00 0.00 C ATOM 869 O ALA A 55 -14.845 -1.916 1.698 1.00 0.00 O ATOM 870 CB ALA A 55 -16.046 -3.627 4.129 1.00 0.00 C ATOM 0 H ALA A 55 -14.206 -5.220 4.454 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.533 -4.326 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.765 -2.888 3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.569 -4.548 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.535 -3.243 5.012 1.00 0.00 H new ATOM 876 N HIS A 56 -13.226 -2.277 3.205 1.00 0.00 N ATOM 877 CA HIS A 56 -12.502 -1.056 2.864 1.00 0.00 C ATOM 878 C HIS A 56 -11.317 -1.354 1.954 1.00 0.00 C ATOM 879 O HIS A 56 -10.686 -0.440 1.426 1.00 0.00 O ATOM 880 CB HIS A 56 -12.033 -0.324 4.124 1.00 0.00 C ATOM 881 CG HIS A 56 -13.071 0.586 4.702 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.551 0.472 5.991 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.713 1.647 4.157 1.00 0.00 C ATOM 884 CE1 HIS A 56 -14.442 1.422 6.210 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.555 2.147 5.115 1.00 0.00 N ATOM 0 H HIS A 56 -12.792 -2.835 3.941 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.192 -0.407 2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.744 -1.058 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.142 0.257 3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.585 2.028 3.154 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.986 1.578 7.130 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.171 2.952 4.999 1.00 0.00 H new ATOM 894 N MET A 57 -11.019 -2.630 1.773 1.00 0.00 N ATOM 895 CA MET A 57 -9.956 -3.038 0.865 1.00 0.00 C ATOM 896 C MET A 57 -10.548 -3.330 -0.512 1.00 0.00 C ATOM 897 O MET A 57 -9.827 -3.587 -1.477 1.00 0.00 O ATOM 898 CB MET A 57 -9.223 -4.268 1.409 1.00 0.00 C ATOM 899 CG MET A 57 -7.935 -4.588 0.662 1.00 0.00 C ATOM 900 SD MET A 57 -7.054 -5.996 1.360 1.00 0.00 S ATOM 901 CE MET A 57 -5.576 -6.006 0.344 1.00 0.00 C ATOM 0 H MET A 57 -11.496 -3.401 2.241 1.00 0.00 H new ATOM 0 HA MET A 57 -9.231 -2.228 0.778 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.992 -4.107 2.462 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.888 -5.130 1.356 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.168 -4.793 -0.383 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.284 -3.714 0.678 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.758 -6.468 0.896 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.765 -6.573 -0.567 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.306 -4.982 0.085 1.00 0.00 H new ATOM 911 N ASP A 58 -11.876 -3.271 -0.582 1.00 0.00 N ATOM 912 CA ASP A 58 -12.615 -3.465 -1.828 1.00 0.00 C ATOM 913 C ASP A 58 -12.109 -2.524 -2.916 1.00 0.00 C ATOM 914 O ASP A 58 -11.931 -2.928 -4.065 1.00 0.00 O ATOM 915 CB ASP A 58 -14.112 -3.238 -1.582 1.00 0.00 C ATOM 916 CG ASP A 58 -14.919 -3.136 -2.862 1.00 0.00 C ATOM 917 OD1 ASP A 58 -15.175 -4.177 -3.498 1.00 0.00 O ATOM 918 OD2 ASP A 58 -15.312 -2.006 -3.229 1.00 0.00 O ATOM 0 H ASP A 58 -12.472 -3.087 0.225 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.457 -4.488 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.503 -4.057 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.244 -2.324 -1.003 1.00 0.00 H new ATOM 923 N ALA A 59 -11.857 -1.275 -2.538 1.00 0.00 N ATOM 924 CA ALA A 59 -11.328 -0.281 -3.466 1.00 0.00 C ATOM 925 C ALA A 59 -9.975 -0.716 -4.021 1.00 0.00 C ATOM 926 O ALA A 59 -9.693 -0.538 -5.206 1.00 0.00 O ATOM 927 CB ALA A 59 -11.208 1.072 -2.780 1.00 0.00 C ATOM 0 H ALA A 59 -12.011 -0.926 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.024 -0.192 -4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.812 1.803 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.191 1.394 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.535 0.989 -1.927 1.00 0.00 H new ATOM 933 N VAL A 60 -9.153 -1.309 -3.165 1.00 0.00 N ATOM 934 CA VAL A 60 -7.830 -1.771 -3.564 1.00 0.00 C ATOM 935 C VAL A 60 -7.954 -2.952 -4.521 1.00 0.00 C ATOM 936 O VAL A 60 -7.242 -3.036 -5.523 1.00 0.00 O ATOM 937 CB VAL A 60 -6.986 -2.194 -2.342 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.563 -2.537 -2.756 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.987 -1.102 -1.284 1.00 0.00 C ATOM 0 H VAL A 60 -9.381 -1.482 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.327 -0.941 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.439 -3.088 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.989 -2.832 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.580 -3.360 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.098 -1.666 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.387 -1.421 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.566 -0.188 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.010 -0.913 -0.957 1.00 0.00 H new ATOM 949 N LEU A 61 -8.880 -3.854 -4.212 1.00 0.00 N ATOM 950 CA LEU A 61 -9.118 -5.028 -5.044 1.00 0.00 C ATOM 951 C LEU A 61 -9.678 -4.618 -6.403 1.00 0.00 C ATOM 952 O LEU A 61 -9.391 -5.249 -7.418 1.00 0.00 O ATOM 953 CB LEU A 61 -10.080 -5.991 -4.342 1.00 0.00 C ATOM 954 CG LEU A 61 -9.600 -6.512 -2.984 1.00 0.00 C ATOM 955 CD1 LEU A 61 -10.653 -7.411 -2.356 1.00 0.00 C ATOM 956 CD2 LEU A 61 -8.280 -7.257 -3.131 1.00 0.00 C ATOM 0 H LEU A 61 -9.479 -3.794 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.167 -5.537 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.037 -5.488 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.260 -6.843 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.439 -5.658 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.295 -7.772 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.575 -6.847 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.845 -8.260 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.956 -7.619 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.413 -8.102 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.525 -6.583 -3.537 1.00 0.00 H new ATOM 968 N ALA A 62 -10.468 -3.549 -6.411 1.00 0.00 N ATOM 969 CA ALA A 62 -11.033 -3.019 -7.646 1.00 0.00 C ATOM 970 C ALA A 62 -9.936 -2.468 -8.551 1.00 0.00 C ATOM 971 O ALA A 62 -10.024 -2.559 -9.778 1.00 0.00 O ATOM 972 CB ALA A 62 -12.061 -1.941 -7.339 1.00 0.00 C ATOM 0 H ALA A 62 -10.732 -3.031 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.530 -3.834 -8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.473 -1.555 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.863 -2.365 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.584 -1.129 -6.790 1.00 0.00 H new ATOM 978 N LEU A 63 -8.907 -1.895 -7.939 1.00 0.00 N ATOM 979 CA LEU A 63 -7.762 -1.384 -8.683 1.00 0.00 C ATOM 980 C LEU A 63 -6.967 -2.533 -9.292 1.00 0.00 C ATOM 981 O LEU A 63 -6.357 -2.384 -10.350 1.00 0.00 O ATOM 982 CB LEU A 63 -6.857 -0.556 -7.767 1.00 0.00 C ATOM 983 CG LEU A 63 -7.505 0.691 -7.164 1.00 0.00 C ATOM 984 CD1 LEU A 63 -6.547 1.375 -6.204 1.00 0.00 C ATOM 985 CD2 LEU A 63 -7.934 1.653 -8.260 1.00 0.00 C ATOM 0 H LEU A 63 -8.842 -1.772 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.133 -0.746 -9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.509 -1.194 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.977 -0.251 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.391 0.384 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.024 2.261 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.285 0.687 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.644 1.668 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.393 2.534 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.063 1.954 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.655 1.162 -8.914 1.00 0.00 H new ATOM 997 N ASN A 64 -6.999 -3.675 -8.608 1.00 0.00 N ATOM 998 CA ASN A 64 -6.308 -4.891 -9.042 1.00 0.00 C ATOM 999 C ASN A 64 -4.796 -4.687 -9.088 1.00 0.00 C ATOM 1000 O ASN A 64 -4.228 -4.354 -10.131 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.821 -5.371 -10.407 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.216 -6.703 -10.823 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.761 -7.765 -10.521 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.086 -6.660 -11.513 1.00 0.00 N ATOM 0 H ASN A 64 -7.508 -3.785 -7.731 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.527 -5.663 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.906 -5.464 -10.371 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.591 -4.620 -11.162 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.638 -7.526 -11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.664 -5.761 -11.745 1.00 0.00 H new ATOM 1011 N PRO A 65 -4.131 -4.834 -7.939 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.686 -4.790 -7.846 1.00 0.00 C ATOM 1013 C PRO A 65 -2.063 -6.185 -7.842 1.00 0.00 C ATOM 1014 O PRO A 65 -2.720 -7.172 -7.502 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.469 -4.102 -6.498 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.720 -4.352 -5.698 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.727 -5.011 -6.615 1.00 0.00 C ATOM 0 HA PRO A 65 -2.224 -4.281 -8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.594 -4.507 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.296 -3.034 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.505 -4.992 -4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.116 -3.416 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.865 -6.065 -6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.706 -4.537 -6.546 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.799 -6.267 -8.224 1.00 0.00 N ATOM 1026 CA ALA A 66 -0.070 -7.523 -8.160 1.00 0.00 C ATOM 1027 C ALA A 66 0.573 -7.672 -6.792 1.00 0.00 C ATOM 1028 O ALA A 66 0.635 -8.766 -6.230 1.00 0.00 O ATOM 1029 CB ALA A 66 0.982 -7.591 -9.255 1.00 0.00 C ATOM 0 H ALA A 66 -0.257 -5.480 -8.581 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.769 -8.345 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.516 -8.539 -9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.499 -7.514 -10.229 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.687 -6.769 -9.134 1.00 0.00 H new ATOM 1035 N VAL A 67 1.048 -6.556 -6.259 1.00 0.00 N ATOM 1036 CA VAL A 67 1.647 -6.541 -4.933 1.00 0.00 C ATOM 1037 C VAL A 67 1.292 -5.249 -4.199 1.00 0.00 C ATOM 1038 O VAL A 67 1.273 -4.170 -4.794 1.00 0.00 O ATOM 1039 CB VAL A 67 3.186 -6.714 -5.010 1.00 0.00 C ATOM 1040 CG1 VAL A 67 3.817 -5.635 -5.877 1.00 0.00 C ATOM 1041 CG2 VAL A 67 3.808 -6.719 -3.619 1.00 0.00 C ATOM 0 H VAL A 67 1.030 -5.649 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 67 1.241 -7.384 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 67 3.386 -7.680 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.896 -5.782 -5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.409 -5.695 -6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.598 -4.654 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.888 -6.842 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.588 -5.776 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.394 -7.543 -3.038 1.00 0.00 H new ATOM 1051 N ILE A 68 0.970 -5.370 -2.919 1.00 0.00 N ATOM 1052 CA ILE A 68 0.656 -4.214 -2.098 1.00 0.00 C ATOM 1053 C ILE A 68 1.763 -3.978 -1.079 1.00 0.00 C ATOM 1054 O ILE A 68 2.126 -4.877 -0.315 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.696 -4.361 -1.347 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.874 -4.462 -2.324 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.915 -3.192 -0.396 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.072 -5.840 -2.912 1.00 0.00 C ATOM 0 H ILE A 68 0.920 -6.262 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 68 0.572 -3.365 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.648 -5.285 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.787 -4.165 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.721 -3.751 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.868 -3.316 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.108 -3.162 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.927 -2.260 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.924 -5.827 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.176 -6.134 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.259 -6.554 -2.110 1.00 0.00 H new ATOM 1070 N LEU A 69 2.307 -2.775 -1.085 1.00 0.00 N ATOM 1071 CA LEU A 69 3.286 -2.381 -0.091 1.00 0.00 C ATOM 1072 C LEU A 69 2.585 -1.614 1.016 1.00 0.00 C ATOM 1073 O LEU A 69 2.120 -0.494 0.810 1.00 0.00 O ATOM 1074 CB LEU A 69 4.390 -1.526 -0.717 1.00 0.00 C ATOM 1075 CG LEU A 69 5.242 -2.230 -1.774 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.284 -1.277 -2.334 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.911 -3.465 -1.186 1.00 0.00 C ATOM 0 H LEU A 69 2.086 -2.052 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 69 3.755 -3.274 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.933 -0.646 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.046 -1.171 0.077 1.00 0.00 H new ATOM 0 HG LEU A 69 4.590 -2.548 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.882 -1.793 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.786 -0.422 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.932 -0.932 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.513 -3.953 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.552 -3.171 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.148 -4.157 -0.829 1.00 0.00 H new ATOM 1089 N LEU A 70 2.482 -2.234 2.174 1.00 0.00 N ATOM 1090 CA LEU A 70 1.765 -1.648 3.290 1.00 0.00 C ATOM 1091 C LEU A 70 2.719 -0.882 4.195 1.00 0.00 C ATOM 1092 O LEU A 70 3.473 -1.477 4.963 1.00 0.00 O ATOM 1093 CB LEU A 70 1.048 -2.744 4.082 1.00 0.00 C ATOM 1094 CG LEU A 70 0.177 -2.258 5.238 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.992 -1.438 4.718 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.316 -3.438 6.055 1.00 0.00 C ATOM 0 H LEU A 70 2.888 -3.149 2.368 1.00 0.00 H new ATOM 0 HA LEU A 70 1.025 -0.949 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.424 -3.315 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.796 -3.430 4.478 1.00 0.00 H new ATOM 0 HG LEU A 70 0.779 -1.618 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.601 -1.101 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.615 -0.573 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.599 -2.051 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.936 -3.078 6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.904 -4.100 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.537 -3.984 6.457 1.00 0.00 H new ATOM 1108 N GLY A 71 2.697 0.436 4.083 1.00 0.00 N ATOM 1109 CA GLY A 71 3.526 1.265 4.928 1.00 0.00 C ATOM 1110 C GLY A 71 2.786 1.681 6.177 1.00 0.00 C ATOM 1111 O GLY A 71 1.965 2.592 6.141 1.00 0.00 O ATOM 0 H GLY A 71 2.117 0.948 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.430 0.721 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.841 2.151 4.377 1.00 0.00 H new ATOM 1115 N THR A 72 3.061 1.007 7.279 1.00 0.00 N ATOM 1116 CA THR A 72 2.362 1.265 8.526 1.00 0.00 C ATOM 1117 C THR A 72 3.013 2.405 9.310 1.00 0.00 C ATOM 1118 O THR A 72 3.505 2.201 10.423 1.00 0.00 O ATOM 1119 CB THR A 72 2.301 -0.008 9.399 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.600 -0.618 9.499 1.00 0.00 O ATOM 1121 CG2 THR A 72 1.315 -1.009 8.820 1.00 0.00 C ATOM 0 H THR A 72 3.767 0.273 7.336 1.00 0.00 H new ATOM 0 HA THR A 72 1.346 1.565 8.269 1.00 0.00 H new ATOM 0 HB THR A 72 1.968 0.286 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.904 -0.590 10.430 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.287 -1.898 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.322 -0.561 8.781 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.627 -1.287 7.813 1.00 0.00 H new ATOM 1129 N GLY A 73 2.995 3.610 8.729 1.00 0.00 N ATOM 1130 CA GLY A 73 3.661 4.743 9.339 1.00 0.00 C ATOM 1131 C GLY A 73 5.071 4.412 9.775 1.00 0.00 C ATOM 1132 O GLY A 73 5.904 3.994 8.967 1.00 0.00 O ATOM 0 H GLY A 73 2.528 3.815 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.687 5.571 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.086 5.079 10.202 1.00 0.00 H new ATOM 1136 N GLU A 74 5.334 4.600 11.055 1.00 0.00 N ATOM 1137 CA GLU A 74 6.584 4.179 11.647 1.00 0.00 C ATOM 1138 C GLU A 74 6.265 3.410 12.919 1.00 0.00 C ATOM 1139 O GLU A 74 6.420 3.913 14.033 1.00 0.00 O ATOM 1140 CB GLU A 74 7.497 5.381 11.924 1.00 0.00 C ATOM 1141 CG GLU A 74 8.968 5.020 12.115 1.00 0.00 C ATOM 1142 CD GLU A 74 9.252 4.359 13.446 1.00 0.00 C ATOM 1143 OE1 GLU A 74 9.312 5.079 14.464 1.00 0.00 O ATOM 1144 OE2 GLU A 74 9.416 3.121 13.483 1.00 0.00 O ATOM 0 H GLU A 74 4.690 5.046 11.708 1.00 0.00 H new ATOM 0 HA GLU A 74 7.128 3.534 10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.412 6.086 11.097 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.142 5.894 12.818 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.279 4.352 11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.571 5.924 12.030 1.00 0.00 H new ATOM 1151 N ARG A 75 5.716 2.225 12.721 1.00 0.00 N ATOM 1152 CA ARG A 75 5.362 1.327 13.806 1.00 0.00 C ATOM 1153 C ARG A 75 4.977 -0.019 13.219 1.00 0.00 C ATOM 1154 O ARG A 75 3.899 -0.176 12.651 1.00 0.00 O ATOM 1155 CB ARG A 75 4.224 1.916 14.653 1.00 0.00 C ATOM 1156 CG ARG A 75 3.002 2.331 13.849 1.00 0.00 C ATOM 1157 CD ARG A 75 2.058 3.185 14.675 1.00 0.00 C ATOM 1158 NE ARG A 75 0.837 3.512 13.943 1.00 0.00 N ATOM 1159 CZ ARG A 75 0.653 4.633 13.248 1.00 0.00 C ATOM 1160 NH1 ARG A 75 1.623 5.538 13.142 1.00 0.00 N ATOM 1161 NH2 ARG A 75 -0.509 4.847 12.651 1.00 0.00 N ATOM 0 H ARG A 75 5.501 1.856 11.795 1.00 0.00 H new ATOM 0 HA ARG A 75 6.217 1.196 14.469 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.922 1.180 15.399 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.601 2.783 15.195 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.318 2.886 12.965 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.477 1.443 13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.800 2.657 15.593 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.563 4.105 14.968 1.00 0.00 H new ATOM 0 HE ARG A 75 0.074 2.836 13.966 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.522 5.378 13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.467 6.392 12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.255 4.156 12.725 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.658 5.703 12.117 1.00 0.00 H new ATOM 1175 N GLN A 76 5.890 -0.972 13.317 1.00 0.00 N ATOM 1176 CA GLN A 76 5.712 -2.266 12.679 1.00 0.00 C ATOM 1177 C GLN A 76 4.512 -3.012 13.261 1.00 0.00 C ATOM 1178 O GLN A 76 4.598 -3.637 14.321 1.00 0.00 O ATOM 1179 CB GLN A 76 6.987 -3.102 12.808 1.00 0.00 C ATOM 1180 CG GLN A 76 6.962 -4.383 11.991 1.00 0.00 C ATOM 1181 CD GLN A 76 8.306 -5.081 11.966 1.00 0.00 C ATOM 1182 OE1 GLN A 76 9.357 -4.440 12.046 1.00 0.00 O ATOM 1183 NE2 GLN A 76 8.284 -6.397 11.841 1.00 0.00 N ATOM 0 H GLN A 76 6.764 -0.873 13.834 1.00 0.00 H new ATOM 0 HA GLN A 76 5.512 -2.097 11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.840 -2.499 12.496 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.142 -3.354 13.857 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.213 -5.059 12.404 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.656 -4.153 10.970 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.392 -6.888 11.778 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.159 -6.921 11.808 1.00 0.00 H new ATOM 1192 N GLN A 77 3.391 -2.908 12.568 1.00 0.00 N ATOM 1193 CA GLN A 77 2.169 -3.581 12.964 1.00 0.00 C ATOM 1194 C GLN A 77 1.764 -4.579 11.890 1.00 0.00 C ATOM 1195 O GLN A 77 1.891 -4.302 10.697 1.00 0.00 O ATOM 1196 CB GLN A 77 1.045 -2.562 13.195 1.00 0.00 C ATOM 1197 CG GLN A 77 -0.287 -3.195 13.570 1.00 0.00 C ATOM 1198 CD GLN A 77 -0.223 -3.969 14.873 1.00 0.00 C ATOM 1199 OE1 GLN A 77 0.503 -3.600 15.795 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -0.961 -5.063 14.945 1.00 0.00 N ATOM 0 H GLN A 77 3.304 -2.355 11.716 1.00 0.00 H new ATOM 0 HA GLN A 77 2.345 -4.113 13.899 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.346 -1.875 13.986 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.913 -1.968 12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.044 -2.415 13.652 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.604 -3.864 12.770 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.550 -5.334 14.157 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.942 -5.637 15.788 1.00 0.00 H new ATOM 1209 N PHE A 78 1.290 -5.735 12.315 1.00 0.00 N ATOM 1210 CA PHE A 78 0.880 -6.772 11.388 1.00 0.00 C ATOM 1211 C PHE A 78 -0.593 -6.603 11.029 1.00 0.00 C ATOM 1212 O PHE A 78 -1.407 -6.242 11.882 1.00 0.00 O ATOM 1213 CB PHE A 78 1.148 -8.149 11.994 1.00 0.00 C ATOM 1214 CG PHE A 78 2.582 -8.333 12.407 1.00 0.00 C ATOM 1215 CD1 PHE A 78 3.569 -8.543 11.455 1.00 0.00 C ATOM 1216 CD2 PHE A 78 2.945 -8.282 13.743 1.00 0.00 C ATOM 1217 CE1 PHE A 78 4.890 -8.701 11.830 1.00 0.00 C ATOM 1218 CE2 PHE A 78 4.265 -8.438 14.123 1.00 0.00 C ATOM 1219 CZ PHE A 78 5.239 -8.648 13.166 1.00 0.00 C ATOM 0 H PHE A 78 1.179 -5.980 13.299 1.00 0.00 H new ATOM 0 HA PHE A 78 1.462 -6.686 10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.503 -8.291 12.861 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.881 -8.918 11.269 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.302 -8.583 10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.188 -8.119 14.496 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.649 -8.866 11.079 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.535 -8.396 15.168 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.271 -8.770 13.461 1.00 0.00 H new ATOM 1229 N PRO A 79 -0.949 -6.837 9.753 1.00 0.00 N ATOM 1230 CA PRO A 79 -2.314 -6.630 9.255 1.00 0.00 C ATOM 1231 C PRO A 79 -3.308 -7.638 9.817 1.00 0.00 C ATOM 1232 O PRO A 79 -2.918 -8.666 10.376 1.00 0.00 O ATOM 1233 CB PRO A 79 -2.187 -6.806 7.734 1.00 0.00 C ATOM 1234 CG PRO A 79 -0.723 -6.811 7.446 1.00 0.00 C ATOM 1235 CD PRO A 79 -0.053 -7.315 8.691 1.00 0.00 C ATOM 0 HA PRO A 79 -2.697 -5.654 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.653 -7.736 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.687 -5.996 7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.496 -7.453 6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.373 -5.810 7.193 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.034 -8.401 8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.955 -6.914 8.800 1.00 0.00 H new ATOM 1243 N SER A 80 -4.590 -7.335 9.653 1.00 0.00 N ATOM 1244 CA SER A 80 -5.660 -8.206 10.115 1.00 0.00 C ATOM 1245 C SER A 80 -5.546 -9.586 9.466 1.00 0.00 C ATOM 1246 O SER A 80 -5.372 -9.696 8.250 1.00 0.00 O ATOM 1247 CB SER A 80 -7.013 -7.578 9.774 1.00 0.00 C ATOM 1248 OG SER A 80 -7.045 -6.203 10.126 1.00 0.00 O ATOM 0 H SER A 80 -4.915 -6.482 9.198 1.00 0.00 H new ATOM 0 HA SER A 80 -5.577 -8.325 11.195 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.209 -7.688 8.707 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.806 -8.109 10.300 1.00 0.00 H new ATOM 0 HG SER A 80 -7.631 -5.720 9.506 1.00 0.00 H new ATOM 1254 N THR A 81 -5.658 -10.630 10.281 1.00 0.00 N ATOM 1255 CA THR A 81 -5.486 -11.994 9.822 1.00 0.00 C ATOM 1256 C THR A 81 -6.501 -12.362 8.742 1.00 0.00 C ATOM 1257 O THR A 81 -6.173 -13.058 7.779 1.00 0.00 O ATOM 1258 CB THR A 81 -5.607 -12.963 11.007 1.00 0.00 C ATOM 1259 OG1 THR A 81 -6.697 -12.568 11.852 1.00 0.00 O ATOM 1260 CG2 THR A 81 -4.316 -13.001 11.812 1.00 0.00 C ATOM 0 H THR A 81 -5.870 -10.549 11.275 1.00 0.00 H new ATOM 0 HA THR A 81 -4.492 -12.074 9.382 1.00 0.00 H new ATOM 0 HB THR A 81 -5.797 -13.962 10.615 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.770 -13.191 12.605 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.427 -13.694 12.646 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.498 -13.331 11.172 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.097 -12.005 12.196 1.00 0.00 H new ATOM 1268 N ASP A 82 -7.726 -11.877 8.898 1.00 0.00 N ATOM 1269 CA ASP A 82 -8.782 -12.121 7.918 1.00 0.00 C ATOM 1270 C ASP A 82 -8.410 -11.509 6.566 1.00 0.00 C ATOM 1271 O ASP A 82 -8.670 -12.089 5.513 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.107 -11.541 8.411 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.269 -11.884 7.501 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -11.895 -12.945 7.705 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -11.570 -11.089 6.590 1.00 0.00 O ATOM 0 H ASP A 82 -8.016 -11.311 9.695 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.894 -13.198 7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.313 -11.916 9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.019 -10.457 8.488 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.775 -10.343 6.612 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.358 -9.642 5.403 1.00 0.00 C ATOM 1282 C VAL A 83 -6.209 -10.384 4.723 1.00 0.00 C ATOM 1283 O VAL A 83 -6.105 -10.410 3.494 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.931 -8.192 5.719 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -6.469 -7.470 4.461 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.072 -7.436 6.377 1.00 0.00 C ATOM 0 H VAL A 83 -7.537 -9.861 7.479 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.212 -9.610 4.726 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.091 -8.230 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.174 -6.451 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.618 -7.998 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.283 -7.443 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.755 -6.416 6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.930 -7.415 5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.351 -7.934 7.306 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.356 -11.000 5.531 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.246 -11.791 5.018 1.00 0.00 C ATOM 1298 C LEU A 84 -4.768 -12.953 4.179 1.00 0.00 C ATOM 1299 O LEU A 84 -4.215 -13.276 3.129 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.389 -12.320 6.173 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.748 -11.244 7.052 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.037 -11.877 8.238 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.776 -10.401 6.242 1.00 0.00 C ATOM 0 H LEU A 84 -5.413 -10.966 6.549 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.628 -11.152 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.009 -12.959 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.599 -12.948 5.761 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.539 -10.595 7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.587 -11.096 8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.755 -12.439 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.258 -12.550 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.330 -9.641 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.991 -11.039 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.309 -9.917 5.424 1.00 0.00 H new ATOM 1315 N ALA A 85 -5.857 -13.559 4.642 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.486 -14.667 3.930 1.00 0.00 C ATOM 1317 C ALA A 85 -7.049 -14.207 2.587 1.00 0.00 C ATOM 1318 O ALA A 85 -7.043 -14.958 1.608 1.00 0.00 O ATOM 1319 CB ALA A 85 -7.583 -15.288 4.783 1.00 0.00 C ATOM 0 H ALA A 85 -6.324 -13.300 5.511 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.724 -15.422 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.043 -16.113 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.154 -15.661 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.339 -14.535 5.008 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.516 -12.963 2.541 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.073 -12.397 1.317 1.00 0.00 C ATOM 1327 C ALA A 86 -6.995 -12.249 0.247 1.00 0.00 C ATOM 1328 O ALA A 86 -7.257 -12.411 -0.943 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.727 -11.053 1.603 1.00 0.00 C ATOM 0 H ALA A 86 -7.520 -12.327 3.338 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.834 -13.081 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.137 -10.644 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.529 -11.186 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.984 -10.365 2.005 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.779 -11.953 0.679 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.656 -11.835 -0.239 1.00 0.00 C ATOM 1337 C CYS A 87 -4.112 -13.221 -0.583 1.00 0.00 C ATOM 1338 O CYS A 87 -3.716 -13.487 -1.721 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.557 -10.975 0.389 1.00 0.00 C ATOM 1340 SG CYS A 87 -4.137 -9.366 0.976 1.00 0.00 S ATOM 0 H CYS A 87 -5.544 -11.790 1.658 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.996 -11.356 -1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.116 -11.519 1.224 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.766 -10.820 -0.344 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.943 -9.536 1.982 1.00 0.00 H new ATOM 1346 N LEU A 88 -4.130 -14.102 0.409 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.613 -15.460 0.269 1.00 0.00 C ATOM 1348 C LEU A 88 -4.399 -16.251 -0.780 1.00 0.00 C ATOM 1349 O LEU A 88 -3.823 -17.030 -1.540 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.663 -16.164 1.638 1.00 0.00 C ATOM 1351 CG LEU A 88 -3.039 -17.564 1.715 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.582 -17.851 3.137 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -4.034 -18.631 1.277 1.00 0.00 C ATOM 0 H LEU A 88 -4.504 -13.896 1.335 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.580 -15.410 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.162 -15.527 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.706 -16.239 1.944 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.182 -17.590 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.140 -18.846 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.840 -17.111 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.437 -17.802 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.566 -19.613 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.908 -18.602 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.341 -18.442 0.248 1.00 0.00 H new ATOM 1365 N THR A 89 -5.706 -16.021 -0.837 1.00 0.00 N ATOM 1366 CA THR A 89 -6.589 -16.793 -1.708 1.00 0.00 C ATOM 1367 C THR A 89 -6.246 -16.603 -3.194 1.00 0.00 C ATOM 1368 O THR A 89 -6.660 -17.399 -4.038 1.00 0.00 O ATOM 1369 CB THR A 89 -8.074 -16.437 -1.455 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.929 -17.437 -2.020 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.431 -15.082 -2.049 1.00 0.00 C ATOM 0 H THR A 89 -6.180 -15.304 -0.289 1.00 0.00 H new ATOM 0 HA THR A 89 -6.432 -17.843 -1.461 1.00 0.00 H new ATOM 0 HB THR A 89 -8.219 -16.394 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.571 -17.722 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.481 -14.864 -1.853 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.809 -14.310 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.259 -15.100 -3.125 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.481 -15.562 -3.514 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.077 -15.316 -4.896 1.00 0.00 C ATOM 1381 C ARG A 90 -3.551 -15.232 -5.007 1.00 0.00 C ATOM 1382 O ARG A 90 -2.996 -15.080 -6.096 1.00 0.00 O ATOM 1383 CB ARG A 90 -5.750 -14.039 -5.426 1.00 0.00 C ATOM 1384 CG ARG A 90 -5.380 -13.687 -6.862 1.00 0.00 C ATOM 1385 CD ARG A 90 -6.462 -12.864 -7.538 1.00 0.00 C ATOM 1386 NE ARG A 90 -7.673 -13.652 -7.762 1.00 0.00 N ATOM 1387 CZ ARG A 90 -8.622 -13.339 -8.640 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -8.514 -12.249 -9.391 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -9.682 -14.125 -8.775 1.00 0.00 N ATOM 0 H ARG A 90 -5.131 -14.880 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.406 -16.152 -5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.832 -14.158 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.481 -13.205 -4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.442 -13.131 -6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.212 -14.603 -7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.700 -11.997 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.091 -12.486 -8.491 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.799 -14.499 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.698 -11.644 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.247 -12.017 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.768 -14.967 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.411 -13.887 -9.448 1.00 0.00 H new ATOM 1403 N GLY A 91 -2.877 -15.363 -3.874 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.430 -15.274 -3.861 1.00 0.00 C ATOM 1405 C GLY A 91 -0.951 -13.863 -4.126 1.00 0.00 C ATOM 1406 O GLY A 91 0.004 -13.650 -4.874 1.00 0.00 O ATOM 0 H GLY A 91 -3.305 -15.529 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.054 -15.610 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.018 -15.945 -4.614 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.628 -12.900 -3.526 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.284 -11.501 -3.703 1.00 0.00 C ATOM 1412 C ILE A 92 -0.254 -11.080 -2.663 1.00 0.00 C ATOM 1413 O ILE A 92 -0.371 -11.430 -1.485 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.534 -10.599 -3.591 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.624 -11.078 -4.555 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -2.167 -9.152 -3.884 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.912 -10.285 -4.465 1.00 0.00 C ATOM 0 H ILE A 92 -2.423 -13.063 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.863 -11.383 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.919 -10.661 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.244 -11.022 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.839 -12.127 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.056 -8.527 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.419 -8.814 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.763 -9.076 -4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.635 -10.683 -5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.317 -10.362 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.712 -9.239 -4.697 1.00 0.00 H new ATOM 1429 N GLY A 93 0.760 -10.350 -3.107 1.00 0.00 N ATOM 1430 CA GLY A 93 1.806 -9.909 -2.208 1.00 0.00 C ATOM 1431 C GLY A 93 1.342 -8.800 -1.287 1.00 0.00 C ATOM 1432 O GLY A 93 0.731 -7.827 -1.735 1.00 0.00 O ATOM 0 H GLY A 93 0.876 -10.055 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.149 -10.754 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.660 -9.562 -2.790 1.00 0.00 H new ATOM 1436 N LEU A 94 1.626 -8.949 -0.005 1.00 0.00 N ATOM 1437 CA LEU A 94 1.256 -7.955 0.990 1.00 0.00 C ATOM 1438 C LEU A 94 2.366 -7.819 2.024 1.00 0.00 C ATOM 1439 O LEU A 94 2.472 -8.625 2.949 1.00 0.00 O ATOM 1440 CB LEU A 94 -0.062 -8.337 1.673 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.560 -7.351 2.737 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.838 -5.990 2.119 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.806 -7.890 3.423 1.00 0.00 C ATOM 0 H LEU A 94 2.117 -9.758 0.375 1.00 0.00 H new ATOM 0 HA LEU A 94 1.116 -6.997 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.832 -8.440 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.059 -9.316 2.137 1.00 0.00 H new ATOM 0 HG LEU A 94 0.222 -7.233 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.190 -5.305 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.077 -5.598 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.601 -6.090 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.145 -7.177 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.593 -8.039 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.575 -8.841 3.903 1.00 0.00 H new ATOM 1455 N GLU A 95 3.203 -6.808 1.851 1.00 0.00 N ATOM 1456 CA GLU A 95 4.344 -6.602 2.731 1.00 0.00 C ATOM 1457 C GLU A 95 4.044 -5.515 3.752 1.00 0.00 C ATOM 1458 O GLU A 95 3.819 -4.362 3.384 1.00 0.00 O ATOM 1459 CB GLU A 95 5.577 -6.211 1.915 1.00 0.00 C ATOM 1460 CG GLU A 95 5.940 -7.208 0.827 1.00 0.00 C ATOM 1461 CD GLU A 95 6.257 -8.583 1.375 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.331 -8.750 1.981 1.00 0.00 O ATOM 1463 OE2 GLU A 95 5.433 -9.504 1.200 1.00 0.00 O ATOM 0 H GLU A 95 3.114 -6.115 1.108 1.00 0.00 H new ATOM 0 HA GLU A 95 4.541 -7.536 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.403 -5.237 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.426 -6.100 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.114 -7.285 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.801 -6.836 0.272 1.00 0.00 H new ATOM 1470 N ALA A 96 4.033 -5.878 5.029 1.00 0.00 N ATOM 1471 CA ALA A 96 3.815 -4.907 6.091 1.00 0.00 C ATOM 1472 C ALA A 96 5.143 -4.302 6.528 1.00 0.00 C ATOM 1473 O ALA A 96 5.937 -4.943 7.218 1.00 0.00 O ATOM 1474 CB ALA A 96 3.097 -5.543 7.273 1.00 0.00 C ATOM 0 H ALA A 96 4.172 -6.835 5.352 1.00 0.00 H new ATOM 0 HA ALA A 96 3.179 -4.111 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.947 -4.796 8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.130 -5.927 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.699 -6.362 7.667 1.00 0.00 H new ATOM 1480 N MET A 97 5.381 -3.071 6.105 1.00 0.00 N ATOM 1481 CA MET A 97 6.645 -2.396 6.360 1.00 0.00 C ATOM 1482 C MET A 97 6.388 -0.994 6.899 1.00 0.00 C ATOM 1483 O MET A 97 5.247 -0.631 7.189 1.00 0.00 O ATOM 1484 CB MET A 97 7.470 -2.317 5.067 1.00 0.00 C ATOM 1485 CG MET A 97 7.734 -3.671 4.418 1.00 0.00 C ATOM 1486 SD MET A 97 8.684 -3.547 2.888 1.00 0.00 S ATOM 1487 CE MET A 97 10.252 -2.944 3.507 1.00 0.00 C ATOM 0 H MET A 97 4.708 -2.514 5.578 1.00 0.00 H new ATOM 0 HA MET A 97 7.205 -2.964 7.103 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.949 -1.679 4.354 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.424 -1.838 5.285 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.271 -4.307 5.122 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.782 -4.160 4.210 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.444 -1.950 3.103 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.218 -2.894 4.595 1.00 0.00 H new ATOM 0 HE3 MET A 97 11.049 -3.621 3.200 1.00 0.00 H new ATOM 1497 N THR A 98 7.446 -0.214 7.052 1.00 0.00 N ATOM 1498 CA THR A 98 7.320 1.178 7.449 1.00 0.00 C ATOM 1499 C THR A 98 7.338 2.082 6.219 1.00 0.00 C ATOM 1500 O THR A 98 7.778 1.662 5.147 1.00 0.00 O ATOM 1501 CB THR A 98 8.451 1.578 8.413 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.710 1.113 7.906 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.208 1.000 9.799 1.00 0.00 C ATOM 0 H THR A 98 8.407 -0.524 6.906 1.00 0.00 H new ATOM 0 HA THR A 98 6.368 1.299 7.966 1.00 0.00 H new ATOM 0 HB THR A 98 8.470 2.665 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.427 1.372 8.522 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.020 1.295 10.464 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.263 1.377 10.190 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.167 -0.087 9.738 1.00 0.00 H new ATOM 1511 N ASN A 99 6.867 3.318 6.371 1.00 0.00 N ATOM 1512 CA ASN A 99 6.758 4.244 5.240 1.00 0.00 C ATOM 1513 C ASN A 99 8.110 4.494 4.580 1.00 0.00 C ATOM 1514 O ASN A 99 8.218 4.497 3.352 1.00 0.00 O ATOM 1515 CB ASN A 99 6.137 5.579 5.671 1.00 0.00 C ATOM 1516 CG ASN A 99 4.643 5.476 5.921 1.00 0.00 C ATOM 1517 OD1 ASN A 99 3.975 4.596 5.390 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.104 6.398 6.702 1.00 0.00 N ATOM 0 H ASN A 99 6.555 3.703 7.263 1.00 0.00 H new ATOM 0 HA ASN A 99 6.103 3.770 4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.630 5.928 6.578 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.322 6.327 4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.100 6.392 6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.693 7.115 7.126 1.00 0.00 H new ATOM 1525 N ALA A 100 9.144 4.683 5.391 1.00 0.00 N ATOM 1526 CA ALA A 100 10.479 4.963 4.871 1.00 0.00 C ATOM 1527 C ALA A 100 11.061 3.751 4.147 1.00 0.00 C ATOM 1528 O ALA A 100 11.894 3.891 3.251 1.00 0.00 O ATOM 1529 CB ALA A 100 11.406 5.401 5.994 1.00 0.00 C ATOM 0 H ALA A 100 9.085 4.648 6.409 1.00 0.00 H new ATOM 0 HA ALA A 100 10.390 5.775 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.397 5.606 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.011 6.304 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.475 4.608 6.739 1.00 0.00 H new ATOM 1535 N ALA A 101 10.605 2.566 4.528 1.00 0.00 N ATOM 1536 CA ALA A 101 11.117 1.332 3.950 1.00 0.00 C ATOM 1537 C ALA A 101 10.336 0.938 2.701 1.00 0.00 C ATOM 1538 O ALA A 101 10.917 0.477 1.717 1.00 0.00 O ATOM 1539 CB ALA A 101 11.066 0.217 4.980 1.00 0.00 C ATOM 0 H ALA A 101 9.882 2.433 5.235 1.00 0.00 H new ATOM 0 HA ALA A 101 12.153 1.499 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.451 -0.703 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.675 0.489 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.035 0.063 5.299 1.00 0.00 H new ATOM 1545 N ALA A 102 9.022 1.124 2.744 1.00 0.00 N ATOM 1546 CA ALA A 102 8.156 0.752 1.631 1.00 0.00 C ATOM 1547 C ALA A 102 8.427 1.617 0.405 1.00 0.00 C ATOM 1548 O ALA A 102 8.392 1.134 -0.728 1.00 0.00 O ATOM 1549 CB ALA A 102 6.695 0.856 2.041 1.00 0.00 C ATOM 0 H ALA A 102 8.531 1.531 3.540 1.00 0.00 H new ATOM 0 HA ALA A 102 8.375 -0.282 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.060 0.575 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.504 0.186 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.472 1.881 2.337 1.00 0.00 H new ATOM 1555 N ALA A 103 8.714 2.895 0.640 1.00 0.00 N ATOM 1556 CA ALA A 103 8.997 3.834 -0.443 1.00 0.00 C ATOM 1557 C ALA A 103 10.220 3.403 -1.247 1.00 0.00 C ATOM 1558 O ALA A 103 10.318 3.676 -2.444 1.00 0.00 O ATOM 1559 CB ALA A 103 9.200 5.235 0.113 1.00 0.00 C ATOM 0 H ALA A 103 8.757 3.305 1.573 1.00 0.00 H new ATOM 0 HA ALA A 103 8.138 3.839 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.410 5.924 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.297 5.554 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.039 5.232 0.809 1.00 0.00 H new ATOM 1565 N ARG A 104 11.143 2.715 -0.586 1.00 0.00 N ATOM 1566 CA ARG A 104 12.365 2.257 -1.232 1.00 0.00 C ATOM 1567 C ARG A 104 12.062 1.158 -2.243 1.00 0.00 C ATOM 1568 O ARG A 104 12.578 1.170 -3.361 1.00 0.00 O ATOM 1569 CB ARG A 104 13.366 1.753 -0.190 1.00 0.00 C ATOM 1570 CG ARG A 104 13.809 2.826 0.789 1.00 0.00 C ATOM 1571 CD ARG A 104 14.512 3.968 0.077 1.00 0.00 C ATOM 1572 NE ARG A 104 14.800 5.083 0.976 1.00 0.00 N ATOM 1573 CZ ARG A 104 15.249 6.267 0.566 1.00 0.00 C ATOM 1574 NH1 ARG A 104 15.509 6.467 -0.720 1.00 0.00 N ATOM 1575 NH2 ARG A 104 15.449 7.244 1.441 1.00 0.00 N ATOM 0 H ARG A 104 11.067 2.462 0.399 1.00 0.00 H new ATOM 0 HA ARG A 104 12.806 3.102 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 104 12.918 0.928 0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 104 14.242 1.354 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 104 12.943 3.209 1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.478 2.390 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.443 3.605 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 104 13.890 4.319 -0.747 1.00 0.00 H new ATOM 0 HE ARG A 104 14.648 4.946 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.365 5.714 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 104 15.853 7.374 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 104 15.259 7.089 2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 104 15.793 8.150 1.124 1.00 0.00 H new ATOM 1589 N THR A 105 11.211 0.221 -1.850 1.00 0.00 N ATOM 1590 CA THR A 105 10.824 -0.872 -2.726 1.00 0.00 C ATOM 1591 C THR A 105 9.904 -0.362 -3.836 1.00 0.00 C ATOM 1592 O THR A 105 9.914 -0.878 -4.958 1.00 0.00 O ATOM 1593 CB THR A 105 10.121 -1.987 -1.926 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.918 -2.334 -0.784 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.900 -3.225 -2.782 1.00 0.00 C ATOM 0 H THR A 105 10.775 0.197 -0.928 1.00 0.00 H new ATOM 0 HA THR A 105 11.726 -1.285 -3.177 1.00 0.00 H new ATOM 0 HB THR A 105 9.149 -1.614 -1.605 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.470 -3.041 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.403 -3.993 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.278 -2.968 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.861 -3.602 -3.131 1.00 0.00 H new ATOM 1603 N TYR A 106 9.128 0.672 -3.519 1.00 0.00 N ATOM 1604 CA TYR A 106 8.221 1.285 -4.483 1.00 0.00 C ATOM 1605 C TYR A 106 8.982 1.792 -5.706 1.00 0.00 C ATOM 1606 O TYR A 106 8.570 1.551 -6.838 1.00 0.00 O ATOM 1607 CB TYR A 106 7.441 2.435 -3.833 1.00 0.00 C ATOM 1608 CG TYR A 106 6.565 3.204 -4.802 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.342 2.694 -5.224 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.969 4.436 -5.302 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.548 3.392 -6.115 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.182 5.138 -6.193 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.974 4.612 -6.597 1.00 0.00 C ATOM 1614 OH TYR A 106 4.192 5.311 -7.488 1.00 0.00 O ATOM 0 H TYR A 106 9.111 1.104 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 106 7.515 0.522 -4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.818 2.033 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.147 3.124 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.007 1.738 -4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.915 4.852 -4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.599 2.984 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.511 6.094 -6.571 1.00 0.00 H new ATOM 0 HH TYR A 106 4.638 6.150 -7.726 1.00 0.00 H new ATOM 1624 N ASN A 107 10.096 2.480 -5.471 1.00 0.00 N ATOM 1625 CA ASN A 107 10.903 3.029 -6.561 1.00 0.00 C ATOM 1626 C ASN A 107 11.377 1.924 -7.504 1.00 0.00 C ATOM 1627 O ASN A 107 11.399 2.101 -8.725 1.00 0.00 O ATOM 1628 CB ASN A 107 12.100 3.811 -6.002 1.00 0.00 C ATOM 1629 CG ASN A 107 13.080 4.242 -7.082 1.00 0.00 C ATOM 1630 OD1 ASN A 107 12.851 5.222 -7.791 1.00 0.00 O ATOM 1631 ND2 ASN A 107 14.201 3.543 -7.183 1.00 0.00 N ATOM 0 H ASN A 107 10.461 2.671 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 107 10.277 3.714 -7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.737 4.693 -5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.621 3.194 -5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.910 3.811 -7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.355 2.737 -6.578 1.00 0.00 H new ATOM 1638 N VAL A 108 11.727 0.779 -6.936 1.00 0.00 N ATOM 1639 CA VAL A 108 12.178 -0.358 -7.726 1.00 0.00 C ATOM 1640 C VAL A 108 11.029 -0.924 -8.556 1.00 0.00 C ATOM 1641 O VAL A 108 11.155 -1.110 -9.765 1.00 0.00 O ATOM 1642 CB VAL A 108 12.760 -1.474 -6.830 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.277 -2.634 -7.672 1.00 0.00 C ATOM 1644 CG2 VAL A 108 13.866 -0.924 -5.943 1.00 0.00 C ATOM 0 H VAL A 108 11.707 0.612 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 108 12.965 0.000 -8.390 1.00 0.00 H new ATOM 0 HB VAL A 108 11.959 -1.849 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.682 -3.406 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.459 -3.049 -8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.061 -2.277 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.264 -1.724 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.664 -0.518 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.464 -0.134 -5.308 1.00 0.00 H new ATOM 1654 N LEU A 109 9.898 -1.164 -7.904 1.00 0.00 N ATOM 1655 CA LEU A 109 8.745 -1.766 -8.564 1.00 0.00 C ATOM 1656 C LEU A 109 8.152 -0.828 -9.613 1.00 0.00 C ATOM 1657 O LEU A 109 7.676 -1.275 -10.658 1.00 0.00 O ATOM 1658 CB LEU A 109 7.685 -2.148 -7.528 1.00 0.00 C ATOM 1659 CG LEU A 109 8.154 -3.145 -6.467 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.033 -3.459 -5.491 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.659 -4.421 -7.122 1.00 0.00 C ATOM 0 H LEU A 109 9.754 -0.951 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 109 9.082 -2.667 -9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.342 -1.242 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.825 -2.570 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 109 8.975 -2.691 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.388 -4.170 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.715 -2.542 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.191 -3.891 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.989 -5.119 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.856 -4.874 -7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.495 -4.186 -7.781 1.00 0.00 H new ATOM 1673 N ALA A 110 8.192 0.471 -9.333 1.00 0.00 N ATOM 1674 CA ALA A 110 7.707 1.475 -10.271 1.00 0.00 C ATOM 1675 C ALA A 110 8.563 1.492 -11.533 1.00 0.00 C ATOM 1676 O ALA A 110 8.051 1.639 -12.642 1.00 0.00 O ATOM 1677 CB ALA A 110 7.693 2.851 -9.622 1.00 0.00 C ATOM 0 H ALA A 110 8.557 0.853 -8.460 1.00 0.00 H new ATOM 0 HA ALA A 110 6.686 1.214 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.328 3.587 -10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.038 2.836 -8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.703 3.117 -9.311 1.00 0.00 H new ATOM 1683 N SER A 111 9.867 1.324 -11.358 1.00 0.00 N ATOM 1684 CA SER A 111 10.789 1.286 -12.483 1.00 0.00 C ATOM 1685 C SER A 111 10.642 -0.027 -13.254 1.00 0.00 C ATOM 1686 O SER A 111 10.843 -0.078 -14.469 1.00 0.00 O ATOM 1687 CB SER A 111 12.225 1.462 -11.990 1.00 0.00 C ATOM 1688 OG SER A 111 12.361 2.673 -11.261 1.00 0.00 O ATOM 0 H SER A 111 10.310 1.212 -10.446 1.00 0.00 H new ATOM 0 HA SER A 111 10.549 2.106 -13.160 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.504 0.618 -11.359 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.908 1.464 -12.839 1.00 0.00 H new ATOM 0 HG SER A 111 12.035 2.542 -10.346 1.00 0.00 H new ATOM 1694 N GLU A 112 10.280 -1.085 -12.539 1.00 0.00 N ATOM 1695 CA GLU A 112 10.034 -2.381 -13.148 1.00 0.00 C ATOM 1696 C GLU A 112 8.763 -2.359 -13.992 1.00 0.00 C ATOM 1697 O GLU A 112 8.637 -3.107 -14.961 1.00 0.00 O ATOM 1698 CB GLU A 112 9.921 -3.444 -12.061 1.00 0.00 C ATOM 1699 CG GLU A 112 11.263 -3.891 -11.513 1.00 0.00 C ATOM 1700 CD GLU A 112 12.063 -4.669 -12.533 1.00 0.00 C ATOM 1701 OE1 GLU A 112 12.803 -4.043 -13.325 1.00 0.00 O ATOM 1702 OE2 GLU A 112 11.944 -5.911 -12.553 1.00 0.00 O ATOM 0 H GLU A 112 10.150 -1.067 -11.527 1.00 0.00 H new ATOM 0 HA GLU A 112 10.871 -2.618 -13.805 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.315 -3.054 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.395 -4.310 -12.463 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.833 -3.018 -11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.106 -4.509 -10.629 1.00 0.00 H new ATOM 1709 N GLY A 113 7.834 -1.491 -13.620 1.00 0.00 N ATOM 1710 CA GLY A 113 6.575 -1.405 -14.328 1.00 0.00 C ATOM 1711 C GLY A 113 5.623 -2.498 -13.901 1.00 0.00 C ATOM 1712 O GLY A 113 4.809 -2.974 -14.692 1.00 0.00 O ATOM 0 H GLY A 113 7.931 -0.843 -12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.119 -0.432 -14.145 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.754 -1.476 -15.401 1.00 0.00 H new ATOM 1716 N ARG A 114 5.742 -2.909 -12.647 1.00 0.00 N ATOM 1717 CA ARG A 114 4.879 -3.940 -12.097 1.00 0.00 C ATOM 1718 C ARG A 114 3.789 -3.282 -11.263 1.00 0.00 C ATOM 1719 O ARG A 114 4.046 -2.293 -10.572 1.00 0.00 O ATOM 1720 CB ARG A 114 5.703 -4.931 -11.263 1.00 0.00 C ATOM 1721 CG ARG A 114 4.979 -6.237 -10.974 1.00 0.00 C ATOM 1722 CD ARG A 114 5.956 -7.377 -10.716 1.00 0.00 C ATOM 1723 NE ARG A 114 6.564 -7.328 -9.382 1.00 0.00 N ATOM 1724 CZ ARG A 114 7.851 -7.600 -9.143 1.00 0.00 C ATOM 1725 NH1 ARG A 114 8.705 -7.753 -10.151 1.00 0.00 N ATOM 1726 NH2 ARG A 114 8.287 -7.701 -7.892 1.00 0.00 N ATOM 0 H ARG A 114 6.431 -2.542 -11.990 1.00 0.00 H new ATOM 0 HA ARG A 114 4.409 -4.502 -12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.632 -5.150 -11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 114 5.974 -4.460 -10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.331 -6.110 -10.107 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.337 -6.492 -11.817 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.435 -8.327 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.744 -7.348 -11.468 1.00 0.00 H new ATOM 0 HE ARG A 114 5.972 -7.072 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.379 -7.663 -11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.686 -7.960 -9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.640 -7.571 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.269 -7.909 -7.709 1.00 0.00 H new ATOM 1740 N ARG A 115 2.576 -3.814 -11.336 1.00 0.00 N ATOM 1741 CA ARG A 115 1.431 -3.173 -10.706 1.00 0.00 C ATOM 1742 C ARG A 115 1.498 -3.301 -9.186 1.00 0.00 C ATOM 1743 O ARG A 115 1.070 -4.299 -8.598 1.00 0.00 O ATOM 1744 CB ARG A 115 0.120 -3.750 -11.252 1.00 0.00 C ATOM 1745 CG ARG A 115 -1.122 -2.977 -10.833 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.004 -1.486 -11.141 1.00 0.00 C ATOM 1747 NE ARG A 115 -0.690 -1.213 -12.546 1.00 0.00 N ATOM 1748 CZ ARG A 115 -1.179 -0.178 -13.236 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -2.106 0.610 -12.700 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -0.763 0.050 -14.475 1.00 0.00 N ATOM 0 H ARG A 115 2.361 -4.684 -11.823 1.00 0.00 H new ATOM 0 HA ARG A 115 1.460 -2.111 -10.950 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.171 -3.772 -12.341 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.023 -4.782 -10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.992 -3.385 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -1.290 -3.114 -9.765 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.940 -0.992 -10.881 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -0.229 -1.051 -10.510 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.059 -1.853 -13.028 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.448 0.426 -11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.475 1.398 -13.232 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -0.070 -0.565 -14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.137 0.840 -15.001 1.00 0.00 H new ATOM 1764 N VAL A 116 2.073 -2.285 -8.565 1.00 0.00 N ATOM 1765 CA VAL A 116 2.200 -2.234 -7.125 1.00 0.00 C ATOM 1766 C VAL A 116 1.270 -1.171 -6.548 1.00 0.00 C ATOM 1767 O VAL A 116 1.115 -0.090 -7.117 1.00 0.00 O ATOM 1768 CB VAL A 116 3.663 -1.944 -6.697 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.176 -0.656 -7.328 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.785 -1.882 -5.180 1.00 0.00 C ATOM 0 H VAL A 116 2.463 -1.475 -9.047 1.00 0.00 H new ATOM 0 HA VAL A 116 1.917 -3.211 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 116 4.281 -2.766 -7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.203 -0.479 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.143 -0.744 -8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.550 0.178 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.820 -1.678 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.144 -1.088 -4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.478 -2.836 -4.751 1.00 0.00 H new ATOM 1780 N ALA A 117 0.625 -1.498 -5.444 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.206 -0.546 -4.740 1.00 0.00 C ATOM 1782 C ALA A 117 0.448 -0.175 -3.421 1.00 0.00 C ATOM 1783 O ALA A 117 0.549 -1.003 -2.517 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.596 -1.116 -4.508 1.00 0.00 C ATOM 0 H ALA A 117 0.663 -2.423 -5.015 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.309 0.352 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.205 -0.385 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.059 -1.347 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.521 -2.026 -3.913 1.00 0.00 H new ATOM 1790 N LEU A 118 0.922 1.055 -3.323 1.00 0.00 N ATOM 1791 CA LEU A 118 1.565 1.516 -2.109 1.00 0.00 C ATOM 1792 C LEU A 118 0.531 2.071 -1.146 1.00 0.00 C ATOM 1793 O LEU A 118 -0.014 3.156 -1.358 1.00 0.00 O ATOM 1794 CB LEU A 118 2.622 2.585 -2.429 1.00 0.00 C ATOM 1795 CG LEU A 118 3.368 3.152 -1.221 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.168 2.065 -0.518 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.279 4.288 -1.648 1.00 0.00 C ATOM 0 H LEU A 118 0.873 1.749 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 118 2.064 0.668 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.351 2.156 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.135 3.408 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 118 2.632 3.540 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.690 2.493 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.493 1.280 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.895 1.642 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.803 4.681 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 118 5.005 3.919 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.684 5.081 -2.102 1.00 0.00 H new ATOM 1809 N ALA A 119 0.236 1.310 -0.104 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.677 1.751 0.927 1.00 0.00 C ATOM 1811 C ALA A 119 0.092 2.543 1.969 1.00 0.00 C ATOM 1812 O ALA A 119 0.620 1.984 2.933 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.393 0.569 1.558 1.00 0.00 C ATOM 0 H ALA A 119 0.621 0.378 0.046 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.438 2.392 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.074 0.926 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -1.959 0.036 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.661 -0.105 2.003 1.00 0.00 H new ATOM 1819 N MET A 120 0.184 3.840 1.743 1.00 0.00 N ATOM 1820 CA MET A 120 0.990 4.710 2.577 1.00 0.00 C ATOM 1821 C MET A 120 0.174 5.190 3.771 1.00 0.00 C ATOM 1822 O MET A 120 -0.602 6.136 3.654 1.00 0.00 O ATOM 1823 CB MET A 120 1.468 5.909 1.753 1.00 0.00 C ATOM 1824 CG MET A 120 2.675 6.629 2.329 1.00 0.00 C ATOM 1825 SD MET A 120 4.211 5.717 2.082 1.00 0.00 S ATOM 1826 CE MET A 120 5.417 6.960 2.536 1.00 0.00 C ATOM 0 H MET A 120 -0.295 4.318 0.980 1.00 0.00 H new ATOM 0 HA MET A 120 1.855 4.157 2.943 1.00 0.00 H new ATOM 0 HB2 MET A 120 1.710 5.568 0.746 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.647 6.620 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.762 7.612 1.866 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.521 6.792 3.396 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.397 6.495 2.642 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.461 7.725 1.761 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.129 7.418 3.482 1.00 0.00 H new ATOM 1836 N ILE A 121 0.318 4.513 4.903 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.415 4.882 6.105 1.00 0.00 C ATOM 1838 C ILE A 121 0.330 5.972 6.859 1.00 0.00 C ATOM 1839 O ILE A 121 1.344 5.707 7.516 1.00 0.00 O ATOM 1840 CB ILE A 121 -0.638 3.679 7.053 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -1.306 2.520 6.309 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -1.479 4.100 8.252 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -1.520 1.290 7.166 1.00 0.00 C ATOM 0 H ILE A 121 0.934 3.708 5.013 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.391 5.243 5.780 1.00 0.00 H new ATOM 0 HB ILE A 121 0.333 3.338 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.269 2.855 5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -0.693 2.251 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.628 3.244 8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -0.965 4.892 8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.446 4.466 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -1.997 0.511 6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.559 0.930 7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.158 1.543 8.013 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.158 7.197 6.730 1.00 0.00 N ATOM 1856 CA VAL A 122 0.416 8.332 7.430 1.00 0.00 C ATOM 1857 C VAL A 122 -0.542 8.820 8.512 1.00 0.00 C ATOM 1858 O VAL A 122 -1.726 9.037 8.251 1.00 0.00 O ATOM 1859 CB VAL A 122 0.731 9.490 6.458 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.395 10.647 7.188 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.609 9.003 5.314 1.00 0.00 C ATOM 0 H VAL A 122 -0.958 7.429 6.141 1.00 0.00 H new ATOM 0 HA VAL A 122 1.349 8.004 7.888 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.210 9.849 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.607 11.450 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.728 11.016 7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.327 10.306 7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.821 9.832 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.545 8.613 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.091 8.214 4.768 1.00 0.00 H new ATOM 1871 N GLY A 123 -0.034 8.974 9.724 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.863 9.436 10.818 1.00 0.00 C ATOM 1873 C GLY A 123 -1.188 8.321 11.787 1.00 0.00 C ATOM 1874 O GLY A 123 -0.293 7.593 12.219 1.00 0.00 O ATOM 0 H GLY A 123 0.938 8.787 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.351 10.240 11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.788 9.854 10.421 1.00 0.00 H new