USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=16 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 Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= 1.28 (180deg=1.21) USER MOD Single : A 25 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.37) USER MOD Single : A 27 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.9!) USER MOD Single : A 30 GLN : amide:sc= -0.745 K(o=-0.74,f=-5.6!) USER MOD Single : A 31 GLN : amide:sc= -0.0566 K(o=-0.057,f=-1.2!) USER MOD Single : A 32 SER OG : rot 120:sc= -0.516 USER MOD Single : A 36 MET CE :methyl 175:sc= 0 (180deg=-0.068) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.692 K(o=-0.69,f=-1.8) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 56 HIS : no HD1:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 57 MET CE :methyl 168:sc= 0 (180deg=-0.0521) USER MOD Single : A 64 ASN : amide:sc= -3.52! K(o=-3.5!,f=-0.77) USER MOD Single : A 72 THR OG1 : rot -170:sc= -0.206 USER MOD Single : A 76 GLN : amide:sc= -1.65! C(o=-1.7!,f=-1.7!) USER MOD Single : A 77 GLN : amide:sc= -1.16! K(o=-1.2!,f=-0.027) USER MOD Single : A 80 SER OG : rot 147:sc= 1.06 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -8:sc= 0.481 USER MOD Single : A 89 THR OG1 : rot -93:sc= 1.27 USER MOD Single : A 97 MET CE :methyl -161:sc= -1.61 (180deg=-2.88!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.0378 K(o=0.038,f=-2) 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= 1.13 K(o=1.1,f=-0.0039) USER MOD Single : A 111 SER OG : rot 80:sc= 1.31 USER MOD Single : A 120 MET CE :methyl 142:sc= -0.256 (180deg=-1.46) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 7.366 12.662 -2.580 1.00 0.00 N ATOM 229 CA ARG A 15 8.656 13.285 -2.336 1.00 0.00 C ATOM 230 C ARG A 15 9.211 12.861 -0.983 1.00 0.00 C ATOM 231 O ARG A 15 10.301 12.298 -0.899 1.00 0.00 O ATOM 232 CB ARG A 15 8.531 14.816 -2.416 1.00 0.00 C ATOM 233 CG ARG A 15 9.864 15.563 -2.421 1.00 0.00 C ATOM 234 CD ARG A 15 10.459 15.691 -1.026 1.00 0.00 C ATOM 235 NE ARG A 15 11.790 16.293 -1.043 1.00 0.00 N ATOM 236 CZ ARG A 15 12.550 16.444 0.039 1.00 0.00 C ATOM 237 NH1 ARG A 15 12.126 16.016 1.220 1.00 0.00 N ATOM 238 NH2 ARG A 15 13.744 17.012 -0.059 1.00 0.00 N ATOM 0 HA ARG A 15 9.352 12.953 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.980 15.076 -3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.938 15.164 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.569 15.040 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.720 16.557 -2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.797 16.295 -0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.515 14.705 -0.566 1.00 0.00 H new ATOM 0 HE ARG A 15 12.159 16.617 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.213 15.568 1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.713 16.134 2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.082 17.335 -0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.324 17.126 0.772 1.00 0.00 H new ATOM 252 N ALA A 16 8.458 13.126 0.075 1.00 0.00 N ATOM 253 CA ALA A 16 8.950 12.894 1.425 1.00 0.00 C ATOM 254 C ALA A 16 8.104 11.870 2.164 1.00 0.00 C ATOM 255 O ALA A 16 6.873 11.928 2.139 1.00 0.00 O ATOM 256 CB ALA A 16 8.991 14.202 2.200 1.00 0.00 C ATOM 0 H ALA A 16 7.510 13.499 0.026 1.00 0.00 H new ATOM 0 HA ALA A 16 9.960 12.492 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.361 14.016 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.654 14.904 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.988 14.625 2.254 1.00 0.00 H new ATOM 262 N ALA A 17 8.777 10.936 2.813 1.00 0.00 N ATOM 263 CA ALA A 17 8.130 9.945 3.655 1.00 0.00 C ATOM 264 C ALA A 17 8.982 9.712 4.894 1.00 0.00 C ATOM 265 O ALA A 17 10.066 9.131 4.810 1.00 0.00 O ATOM 266 CB ALA A 17 7.916 8.645 2.894 1.00 0.00 C ATOM 0 H ALA A 17 9.792 10.843 2.771 1.00 0.00 H new ATOM 0 HA ALA A 17 7.150 10.314 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.430 7.918 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.286 8.832 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.879 8.252 2.567 1.00 0.00 H new ATOM 272 N ASP A 18 8.510 10.190 6.031 1.00 0.00 N ATOM 273 CA ASP A 18 9.295 10.160 7.255 1.00 0.00 C ATOM 274 C ASP A 18 8.452 9.598 8.398 1.00 0.00 C ATOM 275 O ASP A 18 7.346 9.099 8.175 1.00 0.00 O ATOM 276 CB ASP A 18 9.776 11.580 7.587 1.00 0.00 C ATOM 277 CG ASP A 18 11.000 11.610 8.489 1.00 0.00 C ATOM 278 OD1 ASP A 18 10.837 11.588 9.729 1.00 0.00 O ATOM 279 OD2 ASP A 18 12.128 11.687 7.957 1.00 0.00 O ATOM 0 H ASP A 18 7.584 10.605 6.134 1.00 0.00 H new ATOM 0 HA ASP A 18 10.163 9.516 7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.005 12.104 6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.965 12.126 8.069 1.00 0.00 H new ATOM 284 N GLY A 19 8.964 9.688 9.613 1.00 0.00 N ATOM 285 CA GLY A 19 8.261 9.156 10.757 1.00 0.00 C ATOM 286 C GLY A 19 7.032 9.970 11.105 1.00 0.00 C ATOM 287 O GLY A 19 7.145 11.117 11.539 1.00 0.00 O ATOM 0 H GLY A 19 9.861 10.124 9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.967 8.126 10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.933 9.132 11.615 1.00 0.00 H new ATOM 291 N ARG A 20 5.859 9.380 10.872 1.00 0.00 N ATOM 292 CA ARG A 20 4.581 9.985 11.249 1.00 0.00 C ATOM 293 C ARG A 20 4.301 11.245 10.414 1.00 0.00 C ATOM 294 O ARG A 20 3.476 12.083 10.777 1.00 0.00 O ATOM 295 CB ARG A 20 4.580 10.289 12.759 1.00 0.00 C ATOM 296 CG ARG A 20 3.229 10.699 13.327 1.00 0.00 C ATOM 297 CD ARG A 20 3.233 10.670 14.849 1.00 0.00 C ATOM 298 NE ARG A 20 4.247 11.552 15.426 1.00 0.00 N ATOM 299 CZ ARG A 20 5.028 11.217 16.456 1.00 0.00 C ATOM 300 NH1 ARG A 20 4.950 10.005 16.992 1.00 0.00 N ATOM 301 NH2 ARG A 20 5.894 12.096 16.946 1.00 0.00 N ATOM 0 H ARG A 20 5.768 8.471 10.418 1.00 0.00 H new ATOM 0 HA ARG A 20 3.776 9.281 11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.930 9.406 13.293 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.298 11.086 12.955 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.977 11.702 12.982 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.456 10.029 12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.250 10.963 15.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.409 9.649 15.189 1.00 0.00 H new ATOM 0 HE ARG A 20 4.365 12.479 15.017 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.291 9.323 16.617 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.550 9.756 17.779 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.963 13.027 16.536 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.491 11.840 17.733 1.00 0.00 H new ATOM 315 N HIS A 21 4.971 11.357 9.269 1.00 0.00 N ATOM 316 CA HIS A 21 4.773 12.495 8.380 1.00 0.00 C ATOM 317 C HIS A 21 5.128 12.127 6.950 1.00 0.00 C ATOM 318 O HIS A 21 6.074 11.383 6.700 1.00 0.00 O ATOM 319 CB HIS A 21 5.612 13.687 8.853 1.00 0.00 C ATOM 320 CG HIS A 21 5.404 14.957 8.080 1.00 0.00 C ATOM 321 ND1 HIS A 21 4.491 15.917 8.454 1.00 0.00 N ATOM 322 CD2 HIS A 21 6.023 15.445 6.978 1.00 0.00 C ATOM 323 CE1 HIS A 21 4.560 16.938 7.621 1.00 0.00 C ATOM 324 NE2 HIS A 21 5.482 16.679 6.714 1.00 0.00 N ATOM 0 H HIS A 21 5.653 10.675 8.938 1.00 0.00 H new ATOM 0 HA HIS A 21 3.720 12.777 8.406 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.386 13.877 9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.666 13.415 8.798 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.800 14.953 6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.962 17.836 7.673 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.749 17.293 5.945 1.00 0.00 H new ATOM 333 N ALA A 22 4.360 12.659 6.018 1.00 0.00 N ATOM 334 CA ALA A 22 4.569 12.396 4.599 1.00 0.00 C ATOM 335 C ALA A 22 4.228 13.628 3.770 1.00 0.00 C ATOM 336 O ALA A 22 3.470 14.491 4.215 1.00 0.00 O ATOM 337 CB ALA A 22 3.737 11.205 4.149 1.00 0.00 C ATOM 0 H ALA A 22 3.577 13.282 6.217 1.00 0.00 H new ATOM 0 HA ALA A 22 5.622 12.159 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.906 11.024 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.027 10.322 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.681 11.414 4.318 1.00 0.00 H new ATOM 343 N LYS A 23 4.794 13.710 2.574 1.00 0.00 N ATOM 344 CA LYS A 23 4.565 14.847 1.695 1.00 0.00 C ATOM 345 C LYS A 23 4.641 14.420 0.232 1.00 0.00 C ATOM 346 O LYS A 23 5.714 14.083 -0.280 1.00 0.00 O ATOM 347 CB LYS A 23 5.587 15.950 1.995 1.00 0.00 C ATOM 348 CG LYS A 23 5.361 17.244 1.225 1.00 0.00 C ATOM 349 CD LYS A 23 6.194 18.374 1.811 1.00 0.00 C ATOM 350 CE LYS A 23 5.929 19.702 1.117 1.00 0.00 C ATOM 351 NZ LYS A 23 6.597 19.793 -0.209 1.00 0.00 N ATOM 0 H LYS A 23 5.417 13.000 2.190 1.00 0.00 H new ATOM 0 HA LYS A 23 3.564 15.238 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.565 16.168 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.585 15.575 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.623 17.099 0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.305 17.511 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.975 18.471 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.252 18.126 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.855 19.834 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.277 20.517 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.788 20.790 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.494 19.267 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.978 19.386 -0.938 1.00 0.00 H new ATOM 365 N VAL A 24 3.493 14.421 -0.431 1.00 0.00 N ATOM 366 CA VAL A 24 3.416 14.068 -1.840 1.00 0.00 C ATOM 367 C VAL A 24 3.558 15.323 -2.689 1.00 0.00 C ATOM 368 O VAL A 24 2.600 16.082 -2.852 1.00 0.00 O ATOM 369 CB VAL A 24 2.085 13.363 -2.185 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.066 12.929 -3.643 1.00 0.00 C ATOM 371 CG2 VAL A 24 1.855 12.170 -1.271 1.00 0.00 C ATOM 0 H VAL A 24 2.596 14.665 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 24 4.229 13.374 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 24 1.275 14.076 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.120 12.435 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.177 13.803 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.888 12.237 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.912 11.689 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.671 11.458 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.816 12.507 -0.235 1.00 0.00 H new ATOM 381 N ASN A 25 4.765 15.538 -3.202 1.00 0.00 N ATOM 382 CA ASN A 25 5.089 16.732 -3.976 1.00 0.00 C ATOM 383 C ASN A 25 4.867 17.993 -3.135 1.00 0.00 C ATOM 384 O ASN A 25 5.701 18.337 -2.299 1.00 0.00 O ATOM 385 CB ASN A 25 4.271 16.781 -5.277 1.00 0.00 C ATOM 386 CG ASN A 25 4.639 17.953 -6.172 1.00 0.00 C ATOM 387 OD1 ASN A 25 3.781 18.511 -6.854 1.00 0.00 O ATOM 388 ND2 ASN A 25 5.911 18.324 -6.192 1.00 0.00 N ATOM 0 H ASN A 25 5.546 14.891 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 25 6.143 16.689 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.419 15.852 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.211 16.840 -5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.207 19.097 -6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.594 17.836 -5.612 1.00 0.00 H new ATOM 395 N GLU A 26 3.727 18.648 -3.318 1.00 0.00 N ATOM 396 CA GLU A 26 3.436 19.880 -2.598 1.00 0.00 C ATOM 397 C GLU A 26 2.342 19.664 -1.562 1.00 0.00 C ATOM 398 O GLU A 26 2.083 20.536 -0.731 1.00 0.00 O ATOM 399 CB GLU A 26 3.018 20.982 -3.572 1.00 0.00 C ATOM 400 CG GLU A 26 4.094 21.351 -4.579 1.00 0.00 C ATOM 401 CD GLU A 26 5.383 21.798 -3.920 1.00 0.00 C ATOM 402 OE1 GLU A 26 5.335 22.722 -3.085 1.00 0.00 O ATOM 403 OE2 GLU A 26 6.451 21.239 -4.246 1.00 0.00 O ATOM 0 H GLU A 26 2.991 18.347 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 26 4.345 20.187 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.126 20.660 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.745 21.871 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.297 20.492 -5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.725 22.149 -5.223 1.00 0.00 H new ATOM 410 N GLN A 27 1.711 18.500 -1.602 1.00 0.00 N ATOM 411 CA GLN A 27 0.603 18.202 -0.704 1.00 0.00 C ATOM 412 C GLN A 27 1.082 17.358 0.473 1.00 0.00 C ATOM 413 O GLN A 27 1.605 16.257 0.293 1.00 0.00 O ATOM 414 CB GLN A 27 -0.517 17.483 -1.466 1.00 0.00 C ATOM 415 CG GLN A 27 -1.758 17.210 -0.627 1.00 0.00 C ATOM 416 CD GLN A 27 -2.888 16.579 -1.424 1.00 0.00 C ATOM 417 OE1 GLN A 27 -3.672 15.798 -0.891 1.00 0.00 O ATOM 418 NE2 GLN A 27 -3.000 16.931 -2.698 1.00 0.00 N ATOM 0 H GLN A 27 1.947 17.745 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 27 0.208 19.139 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.800 18.085 -2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.134 16.537 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.493 16.552 0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.107 18.146 -0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.331 17.582 -3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.756 16.550 -3.268 1.00 0.00 H new ATOM 427 N ILE A 28 0.917 17.885 1.676 1.00 0.00 N ATOM 428 CA ILE A 28 1.328 17.181 2.881 1.00 0.00 C ATOM 429 C ILE A 28 0.209 16.268 3.361 1.00 0.00 C ATOM 430 O ILE A 28 -0.912 16.718 3.599 1.00 0.00 O ATOM 431 CB ILE A 28 1.722 18.156 4.013 1.00 0.00 C ATOM 432 CG1 ILE A 28 2.945 18.981 3.600 1.00 0.00 C ATOM 433 CG2 ILE A 28 1.995 17.397 5.306 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.459 19.903 4.687 1.00 0.00 C ATOM 0 H ILE A 28 0.500 18.801 1.844 1.00 0.00 H new ATOM 0 HA ILE A 28 2.207 16.588 2.628 1.00 0.00 H new ATOM 0 HB ILE A 28 0.889 18.837 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.745 18.303 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.690 19.576 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.271 18.102 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.099 16.854 5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.811 16.692 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.325 20.453 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.675 20.607 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.747 19.314 5.558 1.00 0.00 H new ATOM 446 N LEU A 29 0.516 14.988 3.502 1.00 0.00 N ATOM 447 CA LEU A 29 -0.482 14.010 3.893 1.00 0.00 C ATOM 448 C LEU A 29 -0.108 13.335 5.203 1.00 0.00 C ATOM 449 O LEU A 29 0.959 12.735 5.328 1.00 0.00 O ATOM 450 CB LEU A 29 -0.667 12.960 2.793 1.00 0.00 C ATOM 451 CG LEU A 29 -1.302 13.478 1.501 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.390 12.370 0.466 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.682 14.052 1.783 1.00 0.00 C ATOM 0 H LEU A 29 1.449 14.604 3.351 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.424 14.538 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.306 12.531 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.285 12.152 3.184 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.670 14.271 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.844 12.759 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.389 12.000 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.000 11.555 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.121 14.417 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.320 13.276 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.596 14.876 2.491 1.00 0.00 H new ATOM 465 N GLN A 30 -0.987 13.464 6.180 1.00 0.00 N ATOM 466 CA GLN A 30 -0.847 12.773 7.451 1.00 0.00 C ATOM 467 C GLN A 30 -2.008 11.803 7.635 1.00 0.00 C ATOM 468 O GLN A 30 -2.448 11.527 8.750 1.00 0.00 O ATOM 469 CB GLN A 30 -0.768 13.774 8.618 1.00 0.00 C ATOM 470 CG GLN A 30 -1.531 15.079 8.402 1.00 0.00 C ATOM 471 CD GLN A 30 -3.021 14.886 8.192 1.00 0.00 C ATOM 472 OE1 GLN A 30 -3.484 14.743 7.061 1.00 0.00 O ATOM 473 NE2 GLN A 30 -3.775 14.884 9.278 1.00 0.00 N ATOM 0 H GLN A 30 -1.819 14.051 6.116 1.00 0.00 H new ATOM 0 HA GLN A 30 0.085 12.208 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.151 13.291 9.517 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.280 14.010 8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.375 15.728 9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.115 15.594 7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.347 15.006 10.196 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.784 14.760 9.198 1.00 0.00 H new ATOM 482 N GLN A 31 -2.482 11.282 6.510 1.00 0.00 N ATOM 483 CA GLN A 31 -3.605 10.358 6.487 1.00 0.00 C ATOM 484 C GLN A 31 -3.191 9.032 5.858 1.00 0.00 C ATOM 485 O GLN A 31 -2.024 8.831 5.517 1.00 0.00 O ATOM 486 CB GLN A 31 -4.761 10.964 5.688 1.00 0.00 C ATOM 487 CG GLN A 31 -5.390 12.185 6.336 1.00 0.00 C ATOM 488 CD GLN A 31 -6.255 12.971 5.369 1.00 0.00 C ATOM 489 OE1 GLN A 31 -5.982 13.018 4.170 1.00 0.00 O ATOM 490 NE2 GLN A 31 -7.309 13.585 5.878 1.00 0.00 N ATOM 0 H GLN A 31 -2.097 11.489 5.588 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.927 10.177 7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.399 11.238 4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.530 10.204 5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.994 11.871 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.604 12.832 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.502 13.523 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.929 14.121 5.271 1.00 0.00 H new ATOM 499 N SER A 32 -4.148 8.133 5.709 1.00 0.00 N ATOM 500 CA SER A 32 -3.905 6.853 5.066 1.00 0.00 C ATOM 501 C SER A 32 -4.386 6.905 3.618 1.00 0.00 C ATOM 502 O SER A 32 -5.533 7.262 3.354 1.00 0.00 O ATOM 503 CB SER A 32 -4.624 5.751 5.842 1.00 0.00 C ATOM 504 OG SER A 32 -4.331 5.850 7.229 1.00 0.00 O ATOM 0 H SER A 32 -5.108 8.267 6.027 1.00 0.00 H new ATOM 0 HA SER A 32 -2.837 6.636 5.064 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.700 5.829 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.317 4.774 5.468 1.00 0.00 H new ATOM 0 HG SER A 32 -5.162 5.989 7.730 1.00 0.00 H new ATOM 510 N PHE A 33 -3.504 6.571 2.686 1.00 0.00 N ATOM 511 CA PHE A 33 -3.820 6.674 1.267 1.00 0.00 C ATOM 512 C PHE A 33 -3.130 5.571 0.474 1.00 0.00 C ATOM 513 O PHE A 33 -2.217 4.914 0.975 1.00 0.00 O ATOM 514 CB PHE A 33 -3.398 8.049 0.731 1.00 0.00 C ATOM 515 CG PHE A 33 -1.932 8.355 0.915 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.472 8.935 2.087 1.00 0.00 C ATOM 517 CD2 PHE A 33 -1.017 8.063 -0.084 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.130 9.216 2.258 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.326 8.342 0.081 1.00 0.00 C ATOM 520 CZ PHE A 33 0.771 8.919 1.254 1.00 0.00 C ATOM 0 H PHE A 33 -2.565 6.227 2.886 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.897 6.559 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.640 8.104 -0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.985 8.819 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.171 9.170 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.358 7.611 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.214 9.668 3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.027 8.109 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.820 9.137 1.386 1.00 0.00 H new ATOM 530 N ILE A 34 -3.565 5.375 -0.764 1.00 0.00 N ATOM 531 CA ILE A 34 -2.952 4.386 -1.637 1.00 0.00 C ATOM 532 C ILE A 34 -2.446 5.039 -2.920 1.00 0.00 C ATOM 533 O ILE A 34 -3.165 5.788 -3.585 1.00 0.00 O ATOM 534 CB ILE A 34 -3.922 3.231 -1.982 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.240 3.770 -2.546 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.177 2.368 -0.754 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.204 2.690 -2.989 1.00 0.00 C ATOM 0 H ILE A 34 -4.340 5.888 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.109 3.961 -1.092 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.456 2.614 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.723 4.386 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.023 4.420 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.861 1.560 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.235 1.947 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.618 2.978 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.113 3.150 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.741 2.087 -3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.453 2.054 -2.140 1.00 0.00 H new ATOM 549 N LEU A 35 -1.194 4.770 -3.248 1.00 0.00 N ATOM 550 CA LEU A 35 -0.570 5.331 -4.435 1.00 0.00 C ATOM 551 C LEU A 35 -0.202 4.224 -5.414 1.00 0.00 C ATOM 552 O LEU A 35 0.323 3.181 -5.019 1.00 0.00 O ATOM 553 CB LEU A 35 0.680 6.129 -4.045 1.00 0.00 C ATOM 554 CG LEU A 35 1.481 6.724 -5.211 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.634 7.699 -6.014 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.736 7.410 -4.695 1.00 0.00 C ATOM 0 H LEU A 35 -0.584 4.160 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.280 6.001 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.378 6.941 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.339 5.478 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 35 1.774 5.909 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.226 8.106 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.235 7.179 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.303 8.512 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.294 7.827 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.457 8.211 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.358 6.684 -4.171 1.00 0.00 H new ATOM 568 N MET A 36 -0.499 4.443 -6.683 1.00 0.00 N ATOM 569 CA MET A 36 -0.138 3.497 -7.726 1.00 0.00 C ATOM 570 C MET A 36 0.407 4.282 -8.916 1.00 0.00 C ATOM 571 O MET A 36 0.019 5.434 -9.103 1.00 0.00 O ATOM 572 CB MET A 36 -1.366 2.651 -8.113 1.00 0.00 C ATOM 573 CG MET A 36 -1.023 1.357 -8.840 1.00 0.00 C ATOM 574 SD MET A 36 -2.418 0.218 -8.970 1.00 0.00 S ATOM 575 CE MET A 36 -3.540 1.144 -10.011 1.00 0.00 C ATOM 0 H MET A 36 -0.991 5.271 -7.018 1.00 0.00 H new ATOM 0 HA MET A 36 0.631 2.809 -7.376 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.928 2.411 -7.210 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.021 3.249 -8.746 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.663 1.595 -9.841 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.205 0.861 -8.317 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.407 0.528 -10.249 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.866 2.042 -9.486 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.032 1.427 -10.933 1.00 0.00 H new ATOM 585 N PRO A 37 1.351 3.709 -9.695 1.00 0.00 N ATOM 586 CA PRO A 37 1.962 4.384 -10.860 1.00 0.00 C ATOM 587 C PRO A 37 0.958 4.744 -11.965 1.00 0.00 C ATOM 588 O PRO A 37 1.054 4.255 -13.094 1.00 0.00 O ATOM 589 CB PRO A 37 2.976 3.360 -11.384 1.00 0.00 C ATOM 590 CG PRO A 37 3.228 2.444 -10.239 1.00 0.00 C ATOM 591 CD PRO A 37 1.938 2.375 -9.480 1.00 0.00 C ATOM 0 HA PRO A 37 2.397 5.339 -10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.581 2.818 -12.243 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.895 3.847 -11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.530 1.456 -10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.033 2.819 -9.608 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.290 1.584 -9.858 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.103 2.173 -8.422 1.00 0.00 H new ATOM 599 N ASP A 38 0.013 5.610 -11.626 1.00 0.00 N ATOM 600 CA ASP A 38 -0.987 6.104 -12.560 1.00 0.00 C ATOM 601 C ASP A 38 -1.747 7.266 -11.928 1.00 0.00 C ATOM 602 O ASP A 38 -1.891 8.332 -12.531 1.00 0.00 O ATOM 603 CB ASP A 38 -1.967 4.994 -12.952 1.00 0.00 C ATOM 604 CG ASP A 38 -3.010 5.474 -13.938 1.00 0.00 C ATOM 605 OD1 ASP A 38 -2.685 5.622 -15.135 1.00 0.00 O ATOM 606 OD2 ASP A 38 -4.159 5.709 -13.527 1.00 0.00 O ATOM 0 H ASP A 38 -0.081 5.993 -10.685 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.479 6.445 -13.462 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.415 4.161 -13.387 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.462 4.616 -12.057 1.00 0.00 H new ATOM 611 N GLU A 39 -2.214 7.057 -10.700 1.00 0.00 N ATOM 612 CA GLU A 39 -2.913 8.095 -9.956 1.00 0.00 C ATOM 613 C GLU A 39 -2.802 7.857 -8.451 1.00 0.00 C ATOM 614 O GLU A 39 -2.315 6.813 -8.005 1.00 0.00 O ATOM 615 CB GLU A 39 -4.389 8.180 -10.375 1.00 0.00 C ATOM 616 CG GLU A 39 -5.167 6.881 -10.221 1.00 0.00 C ATOM 617 CD GLU A 39 -6.613 7.019 -10.662 1.00 0.00 C ATOM 618 OE1 GLU A 39 -6.874 7.009 -11.882 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.499 7.155 -9.794 1.00 0.00 O ATOM 0 H GLU A 39 -2.119 6.173 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.436 9.046 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.877 8.953 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.440 8.497 -11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.684 6.099 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.136 6.563 -9.179 1.00 0.00 H new ATOM 626 N LEU A 40 -3.249 8.840 -7.681 1.00 0.00 N ATOM 627 CA LEU A 40 -3.205 8.768 -6.228 1.00 0.00 C ATOM 628 C LEU A 40 -4.618 8.712 -5.669 1.00 0.00 C ATOM 629 O LEU A 40 -5.450 9.566 -5.979 1.00 0.00 O ATOM 630 CB LEU A 40 -2.464 9.986 -5.660 1.00 0.00 C ATOM 631 CG LEU A 40 -2.465 10.110 -4.131 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.733 8.941 -3.492 1.00 0.00 C ATOM 633 CD2 LEU A 40 -1.836 11.430 -3.708 1.00 0.00 C ATOM 0 H LEU A 40 -3.650 9.705 -8.044 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.671 7.864 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.430 9.952 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.909 10.888 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.499 10.090 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.747 9.052 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.225 8.009 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.701 8.923 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.843 11.505 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.808 11.475 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.406 12.257 -4.132 1.00 0.00 H new ATOM 645 N VAL A 41 -4.888 7.708 -4.853 1.00 0.00 N ATOM 646 CA VAL A 41 -6.198 7.561 -4.247 1.00 0.00 C ATOM 647 C VAL A 41 -6.121 7.844 -2.752 1.00 0.00 C ATOM 648 O VAL A 41 -5.644 7.020 -1.970 1.00 0.00 O ATOM 649 CB VAL A 41 -6.787 6.153 -4.480 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.203 6.061 -3.930 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.760 5.795 -5.958 1.00 0.00 C ATOM 0 H VAL A 41 -4.218 6.984 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.860 8.284 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.167 5.434 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.597 5.060 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.191 6.264 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.836 6.793 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.180 4.799 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.350 6.520 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.731 5.809 -6.317 1.00 0.00 H new ATOM 661 N GLU A 42 -6.569 9.026 -2.367 1.00 0.00 N ATOM 662 CA GLU A 42 -6.601 9.421 -0.966 1.00 0.00 C ATOM 663 C GLU A 42 -7.997 9.219 -0.391 1.00 0.00 C ATOM 664 O GLU A 42 -8.250 9.481 0.786 1.00 0.00 O ATOM 665 CB GLU A 42 -6.143 10.878 -0.793 1.00 0.00 C ATOM 666 CG GLU A 42 -6.286 11.743 -2.043 1.00 0.00 C ATOM 667 CD GLU A 42 -7.709 11.834 -2.553 1.00 0.00 C ATOM 668 OE1 GLU A 42 -8.458 12.712 -2.080 1.00 0.00 O ATOM 669 OE2 GLU A 42 -8.076 11.029 -3.436 1.00 0.00 O ATOM 0 H GLU A 42 -6.919 9.736 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.906 8.787 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.718 11.332 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.098 10.882 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.921 12.747 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.651 11.338 -2.831 1.00 0.00 H new ATOM 676 N HIS A 43 -8.901 8.736 -1.234 1.00 0.00 N ATOM 677 CA HIS A 43 -10.260 8.424 -0.811 1.00 0.00 C ATOM 678 C HIS A 43 -10.300 7.023 -0.208 1.00 0.00 C ATOM 679 O HIS A 43 -11.017 6.145 -0.691 1.00 0.00 O ATOM 680 CB HIS A 43 -11.237 8.509 -1.992 1.00 0.00 C ATOM 681 CG HIS A 43 -11.240 9.834 -2.691 1.00 0.00 C ATOM 682 ND1 HIS A 43 -11.038 9.965 -4.045 1.00 0.00 N ATOM 683 CD2 HIS A 43 -11.429 11.088 -2.220 1.00 0.00 C ATOM 684 CE1 HIS A 43 -11.098 11.239 -4.377 1.00 0.00 C ATOM 685 NE2 HIS A 43 -11.335 11.946 -3.289 1.00 0.00 N ATOM 0 H HIS A 43 -8.716 8.551 -2.220 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.564 9.155 -0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.987 7.731 -2.713 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.244 8.298 -1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.619 11.364 -1.193 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.974 11.637 -5.373 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.432 12.961 -3.248 1.00 0.00 H new ATOM 694 N TRP A 44 -9.511 6.818 0.836 1.00 0.00 N ATOM 695 CA TRP A 44 -9.411 5.517 1.473 1.00 0.00 C ATOM 696 C TRP A 44 -9.910 5.601 2.915 1.00 0.00 C ATOM 697 O TRP A 44 -9.213 6.111 3.795 1.00 0.00 O ATOM 698 CB TRP A 44 -7.959 5.026 1.425 1.00 0.00 C ATOM 699 CG TRP A 44 -7.820 3.547 1.614 1.00 0.00 C ATOM 700 CD1 TRP A 44 -8.642 2.581 1.116 1.00 0.00 C ATOM 701 CD2 TRP A 44 -6.786 2.864 2.331 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.194 1.340 1.489 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.054 1.486 2.236 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.662 3.283 3.050 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.240 0.524 2.829 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -4.855 2.328 3.639 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.147 0.963 3.527 1.00 0.00 C ATOM 0 H TRP A 44 -8.929 7.540 1.260 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.036 4.803 0.937 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.522 5.304 0.466 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.385 5.538 2.197 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.520 2.766 0.514 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.637 0.453 1.250 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.429 4.333 3.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.463 -0.529 2.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.984 2.640 4.196 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.497 0.242 4.001 1.00 0.00 H new ATOM 718 N PRO A 45 -11.143 5.129 3.167 1.00 0.00 N ATOM 719 CA PRO A 45 -11.779 5.211 4.482 1.00 0.00 C ATOM 720 C PRO A 45 -11.204 4.212 5.484 1.00 0.00 C ATOM 721 O PRO A 45 -11.830 3.198 5.805 1.00 0.00 O ATOM 722 CB PRO A 45 -13.260 4.896 4.199 1.00 0.00 C ATOM 723 CG PRO A 45 -13.388 4.838 2.710 1.00 0.00 C ATOM 724 CD PRO A 45 -12.026 4.492 2.187 1.00 0.00 C ATOM 0 HA PRO A 45 -11.618 6.188 4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.552 3.949 4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.910 5.664 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.122 4.089 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.727 5.794 2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.870 3.414 2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.866 4.881 1.182 1.00 0.00 H new ATOM 732 N VAL A 46 -9.998 4.489 5.954 1.00 0.00 N ATOM 733 CA VAL A 46 -9.364 3.674 6.978 1.00 0.00 C ATOM 734 C VAL A 46 -8.769 4.568 8.061 1.00 0.00 C ATOM 735 O VAL A 46 -7.906 5.400 7.781 1.00 0.00 O ATOM 736 CB VAL A 46 -8.251 2.769 6.396 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.562 1.978 7.499 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.818 1.825 5.347 1.00 0.00 C ATOM 0 H VAL A 46 -9.435 5.279 5.639 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.135 3.030 7.402 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.511 3.413 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.784 1.350 7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.114 2.667 8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.293 1.350 8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.019 1.198 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.583 1.194 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.259 2.405 4.536 1.00 0.00 H new ATOM 748 N PRO A 47 -9.246 4.426 9.309 1.00 0.00 N ATOM 749 CA PRO A 47 -8.724 5.174 10.459 1.00 0.00 C ATOM 750 C PRO A 47 -7.341 4.681 10.882 1.00 0.00 C ATOM 751 O PRO A 47 -7.148 4.242 12.022 1.00 0.00 O ATOM 752 CB PRO A 47 -9.750 4.906 11.571 1.00 0.00 C ATOM 753 CG PRO A 47 -10.911 4.251 10.899 1.00 0.00 C ATOM 754 CD PRO A 47 -10.350 3.546 9.701 1.00 0.00 C ATOM 0 HA PRO A 47 -8.600 6.233 10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.331 4.262 12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.051 5.834 12.058 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.405 3.548 11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.658 4.988 10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.003 2.542 9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.089 3.443 8.907 1.00 0.00 H new ATOM 762 N SER A 48 -6.395 4.755 9.948 1.00 0.00 N ATOM 763 CA SER A 48 -5.016 4.332 10.163 1.00 0.00 C ATOM 764 C SER A 48 -4.912 2.809 10.299 1.00 0.00 C ATOM 765 O SER A 48 -4.536 2.121 9.353 1.00 0.00 O ATOM 766 CB SER A 48 -4.413 5.044 11.379 1.00 0.00 C ATOM 767 OG SER A 48 -4.508 6.453 11.234 1.00 0.00 O ATOM 0 H SER A 48 -6.568 5.115 9.010 1.00 0.00 H new ATOM 0 HA SER A 48 -4.437 4.618 9.285 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.933 4.731 12.285 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.368 4.755 11.495 1.00 0.00 H new ATOM 0 HG SER A 48 -4.120 6.890 12.021 1.00 0.00 H new ATOM 773 N LEU A 49 -5.275 2.280 11.457 1.00 0.00 N ATOM 774 CA LEU A 49 -5.156 0.854 11.706 1.00 0.00 C ATOM 775 C LEU A 49 -6.260 0.399 12.654 1.00 0.00 C ATOM 776 O LEU A 49 -7.025 1.220 13.165 1.00 0.00 O ATOM 777 CB LEU A 49 -3.770 0.534 12.283 1.00 0.00 C ATOM 778 CG LEU A 49 -3.365 -0.943 12.252 1.00 0.00 C ATOM 779 CD1 LEU A 49 -3.349 -1.466 10.824 1.00 0.00 C ATOM 780 CD2 LEU A 49 -2.005 -1.132 12.904 1.00 0.00 C ATOM 0 H LEU A 49 -5.654 2.817 12.237 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.266 0.314 10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.025 1.108 11.732 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.738 0.879 13.316 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.103 -1.514 12.816 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.059 -2.517 10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.343 -1.364 10.388 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.634 -0.892 10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.731 -2.187 12.874 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.259 -0.548 12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.049 -0.797 13.940 1.00 0.00 H new ATOM 792 N GLY A 50 -6.357 -0.905 12.871 1.00 0.00 N ATOM 793 CA GLY A 50 -7.389 -1.439 13.734 1.00 0.00 C ATOM 794 C GLY A 50 -8.670 -1.715 12.977 1.00 0.00 C ATOM 795 O GLY A 50 -9.179 -2.834 12.986 1.00 0.00 O ATOM 0 H GLY A 50 -5.737 -1.604 12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.035 -2.360 14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.589 -0.734 14.541 1.00 0.00 H new ATOM 799 N GLN A 51 -9.180 -0.693 12.302 1.00 0.00 N ATOM 800 CA GLN A 51 -10.409 -0.821 11.529 1.00 0.00 C ATOM 801 C GLN A 51 -10.105 -1.084 10.058 1.00 0.00 C ATOM 802 O GLN A 51 -10.913 -0.780 9.175 1.00 0.00 O ATOM 803 CB GLN A 51 -11.269 0.433 11.689 1.00 0.00 C ATOM 804 CG GLN A 51 -11.832 0.589 13.090 1.00 0.00 C ATOM 805 CD GLN A 51 -12.646 1.853 13.273 1.00 0.00 C ATOM 806 OE1 GLN A 51 -13.261 2.358 12.334 1.00 0.00 O ATOM 807 NE2 GLN A 51 -12.659 2.364 14.491 1.00 0.00 N ATOM 0 H GLN A 51 -8.760 0.236 12.274 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.967 -1.676 11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.671 1.311 11.443 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.091 0.397 10.974 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.457 -0.274 13.321 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.010 0.588 13.806 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.134 1.912 15.239 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.194 3.211 14.683 1.00 0.00 H new ATOM 816 N LEU A 52 -8.938 -1.659 9.802 1.00 0.00 N ATOM 817 CA LEU A 52 -8.580 -2.095 8.462 1.00 0.00 C ATOM 818 C LEU A 52 -9.392 -3.335 8.110 1.00 0.00 C ATOM 819 O LEU A 52 -9.276 -4.368 8.768 1.00 0.00 O ATOM 820 CB LEU A 52 -7.079 -2.393 8.379 1.00 0.00 C ATOM 821 CG LEU A 52 -6.569 -2.813 6.997 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.804 -1.707 5.979 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.093 -3.174 7.061 1.00 0.00 C ATOM 0 H LEU A 52 -8.222 -1.834 10.507 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.804 -1.301 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.531 -1.505 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.843 -3.184 9.091 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.126 -3.694 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.435 -2.025 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.871 -1.495 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.275 -0.807 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.748 -3.470 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.522 -2.310 7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.950 -4.001 7.757 1.00 0.00 H new ATOM 835 N GLN A 53 -10.225 -3.223 7.086 1.00 0.00 N ATOM 836 CA GLN A 53 -11.174 -4.278 6.756 1.00 0.00 C ATOM 837 C GLN A 53 -11.121 -4.609 5.269 1.00 0.00 C ATOM 838 O GLN A 53 -10.792 -3.744 4.452 1.00 0.00 O ATOM 839 CB GLN A 53 -12.590 -3.839 7.142 1.00 0.00 C ATOM 840 CG GLN A 53 -12.732 -3.452 8.606 1.00 0.00 C ATOM 841 CD GLN A 53 -14.115 -2.940 8.941 1.00 0.00 C ATOM 842 OE1 GLN A 53 -15.103 -3.357 8.348 1.00 0.00 O ATOM 843 NE2 GLN A 53 -14.194 -2.014 9.883 1.00 0.00 N ATOM 0 H GLN A 53 -10.264 -2.412 6.468 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.905 -5.173 7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.880 -2.991 6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.285 -4.649 6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.508 -4.317 9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.996 -2.685 8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.348 -1.692 10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.100 -1.622 10.138 1.00 0.00 H new ATOM 852 N PRO A 54 -11.443 -5.863 4.904 1.00 0.00 N ATOM 853 CA PRO A 54 -11.457 -6.319 3.506 1.00 0.00 C ATOM 854 C PRO A 54 -12.328 -5.449 2.601 1.00 0.00 C ATOM 855 O PRO A 54 -12.021 -5.275 1.426 1.00 0.00 O ATOM 856 CB PRO A 54 -12.035 -7.733 3.592 1.00 0.00 C ATOM 857 CG PRO A 54 -11.736 -8.181 4.977 1.00 0.00 C ATOM 858 CD PRO A 54 -11.805 -6.949 5.834 1.00 0.00 C ATOM 0 HA PRO A 54 -10.461 -6.272 3.066 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.108 -7.734 3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.577 -8.393 2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.456 -8.929 5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.750 -8.641 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.802 -6.805 6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.113 -7.005 6.674 1.00 0.00 H new ATOM 866 N ALA A 55 -13.412 -4.910 3.148 1.00 0.00 N ATOM 867 CA ALA A 55 -14.298 -4.039 2.379 1.00 0.00 C ATOM 868 C ALA A 55 -13.609 -2.720 2.038 1.00 0.00 C ATOM 869 O ALA A 55 -13.848 -2.135 0.986 1.00 0.00 O ATOM 870 CB ALA A 55 -15.587 -3.783 3.142 1.00 0.00 C ATOM 0 H ALA A 55 -13.699 -5.059 4.116 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.541 -4.545 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.235 -3.132 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.095 -4.730 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.357 -3.303 4.093 1.00 0.00 H new ATOM 876 N HIS A 56 -12.732 -2.267 2.924 1.00 0.00 N ATOM 877 CA HIS A 56 -12.021 -1.012 2.709 1.00 0.00 C ATOM 878 C HIS A 56 -10.815 -1.223 1.803 1.00 0.00 C ATOM 879 O HIS A 56 -10.401 -0.319 1.085 1.00 0.00 O ATOM 880 CB HIS A 56 -11.585 -0.390 4.041 1.00 0.00 C ATOM 881 CG HIS A 56 -12.718 0.184 4.838 1.00 0.00 C ATOM 882 ND1 HIS A 56 -12.838 0.030 6.206 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.780 0.932 4.452 1.00 0.00 C ATOM 884 CE1 HIS A 56 -13.923 0.658 6.622 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.510 1.211 5.581 1.00 0.00 N ATOM 0 H HIS A 56 -12.496 -2.746 3.793 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.706 -0.321 2.218 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.080 -1.149 4.638 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.856 0.396 3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.009 1.249 3.445 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.270 0.709 7.643 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.370 1.759 5.609 1.00 0.00 H new ATOM 894 N MET A 57 -10.255 -2.423 1.832 1.00 0.00 N ATOM 895 CA MET A 57 -9.114 -2.746 0.983 1.00 0.00 C ATOM 896 C MET A 57 -9.596 -3.332 -0.343 1.00 0.00 C ATOM 897 O MET A 57 -8.805 -3.602 -1.249 1.00 0.00 O ATOM 898 CB MET A 57 -8.184 -3.733 1.697 1.00 0.00 C ATOM 899 CG MET A 57 -6.828 -3.892 1.025 1.00 0.00 C ATOM 900 SD MET A 57 -5.755 -5.047 1.894 1.00 0.00 S ATOM 901 CE MET A 57 -4.236 -4.874 0.961 1.00 0.00 C ATOM 0 H MET A 57 -10.569 -3.187 2.430 1.00 0.00 H new ATOM 0 HA MET A 57 -8.557 -1.832 0.779 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.034 -3.399 2.724 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.671 -4.707 1.747 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.972 -4.236 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.339 -2.920 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.421 -5.358 1.499 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.354 -5.342 -0.016 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.007 -3.816 0.831 1.00 0.00 H new ATOM 911 N ASP A 58 -10.911 -3.499 -0.451 1.00 0.00 N ATOM 912 CA ASP A 58 -11.535 -4.090 -1.633 1.00 0.00 C ATOM 913 C ASP A 58 -11.191 -3.305 -2.890 1.00 0.00 C ATOM 914 O ASP A 58 -10.911 -3.887 -3.934 1.00 0.00 O ATOM 915 CB ASP A 58 -13.053 -4.145 -1.454 1.00 0.00 C ATOM 916 CG ASP A 58 -13.760 -4.761 -2.642 1.00 0.00 C ATOM 917 OD1 ASP A 58 -13.716 -6.001 -2.786 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.380 -4.009 -3.423 1.00 0.00 O ATOM 0 H ASP A 58 -11.574 -3.229 0.276 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.147 -5.102 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.288 -4.720 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.433 -3.136 -1.294 1.00 0.00 H new ATOM 923 N ALA A 59 -11.195 -1.981 -2.775 1.00 0.00 N ATOM 924 CA ALA A 59 -10.845 -1.113 -3.892 1.00 0.00 C ATOM 925 C ALA A 59 -9.419 -1.383 -4.359 1.00 0.00 C ATOM 926 O ALA A 59 -9.137 -1.396 -5.557 1.00 0.00 O ATOM 927 CB ALA A 59 -11.009 0.347 -3.498 1.00 0.00 C ATOM 0 H ALA A 59 -11.437 -1.485 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.521 -1.328 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.744 0.984 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.045 0.533 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.356 0.572 -2.655 1.00 0.00 H new ATOM 933 N VAL A 60 -8.532 -1.631 -3.401 1.00 0.00 N ATOM 934 CA VAL A 60 -7.131 -1.902 -3.703 1.00 0.00 C ATOM 935 C VAL A 60 -7.004 -3.209 -4.477 1.00 0.00 C ATOM 936 O VAL A 60 -6.244 -3.309 -5.437 1.00 0.00 O ATOM 937 CB VAL A 60 -6.286 -1.985 -2.413 1.00 0.00 C ATOM 938 CG1 VAL A 60 -4.809 -2.155 -2.737 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.506 -0.755 -1.547 1.00 0.00 C ATOM 0 H VAL A 60 -8.759 -1.650 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.756 -1.078 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.612 -2.862 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.237 -2.211 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.665 -3.072 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.465 -1.304 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.902 -0.833 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.215 0.137 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.559 -0.686 -1.274 1.00 0.00 H new ATOM 949 N LEU A 61 -7.775 -4.203 -4.059 1.00 0.00 N ATOM 950 CA LEU A 61 -7.789 -5.500 -4.722 1.00 0.00 C ATOM 951 C LEU A 61 -8.462 -5.395 -6.087 1.00 0.00 C ATOM 952 O LEU A 61 -8.083 -6.078 -7.038 1.00 0.00 O ATOM 953 CB LEU A 61 -8.521 -6.525 -3.852 1.00 0.00 C ATOM 954 CG LEU A 61 -7.924 -6.750 -2.461 1.00 0.00 C ATOM 955 CD1 LEU A 61 -8.797 -7.701 -1.659 1.00 0.00 C ATOM 956 CD2 LEU A 61 -6.505 -7.291 -2.567 1.00 0.00 C ATOM 0 H LEU A 61 -8.403 -4.135 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.760 -5.828 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.557 -6.205 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.538 -7.478 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.887 -5.792 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.360 -7.851 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.795 -7.276 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.863 -8.658 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.098 -7.444 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.516 -8.240 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.883 -6.577 -3.106 1.00 0.00 H new ATOM 968 N ALA A 62 -9.459 -4.519 -6.173 1.00 0.00 N ATOM 969 CA ALA A 62 -10.186 -4.292 -7.415 1.00 0.00 C ATOM 970 C ALA A 62 -9.292 -3.659 -8.473 1.00 0.00 C ATOM 971 O ALA A 62 -9.532 -3.810 -9.671 1.00 0.00 O ATOM 972 CB ALA A 62 -11.406 -3.418 -7.162 1.00 0.00 C ATOM 0 H ALA A 62 -9.783 -3.951 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.516 -5.260 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.939 -3.257 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.066 -3.912 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.088 -2.458 -6.756 1.00 0.00 H new ATOM 978 N LEU A 63 -8.254 -2.959 -8.024 1.00 0.00 N ATOM 979 CA LEU A 63 -7.286 -2.342 -8.929 1.00 0.00 C ATOM 980 C LEU A 63 -6.306 -3.380 -9.478 1.00 0.00 C ATOM 981 O LEU A 63 -5.360 -3.028 -10.177 1.00 0.00 O ATOM 982 CB LEU A 63 -6.513 -1.235 -8.208 1.00 0.00 C ATOM 983 CG LEU A 63 -7.361 -0.058 -7.718 1.00 0.00 C ATOM 984 CD1 LEU A 63 -6.500 0.939 -6.960 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.055 0.622 -8.888 1.00 0.00 C ATOM 0 H LEU A 63 -8.060 -2.804 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.838 -1.911 -9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.998 -1.672 -7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.745 -0.853 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.123 -0.442 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.119 1.769 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.046 0.447 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.717 1.317 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.653 1.456 -8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.307 0.992 -9.589 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.703 -0.095 -9.393 1.00 0.00 H new ATOM 997 N ASN A 64 -6.576 -4.652 -9.158 1.00 0.00 N ATOM 998 CA ASN A 64 -5.766 -5.822 -9.559 1.00 0.00 C ATOM 999 C ASN A 64 -4.274 -5.512 -9.744 1.00 0.00 C ATOM 1000 O ASN A 64 -3.748 -5.499 -10.858 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.374 -6.562 -10.785 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.206 -5.892 -12.157 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.167 -6.579 -13.179 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.123 -4.576 -12.210 1.00 0.00 N ATOM 0 H ASN A 64 -7.388 -4.909 -8.596 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.810 -6.509 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.929 -7.555 -10.836 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.440 -6.700 -10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.024 -4.107 -13.110 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.158 -4.028 -11.351 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.568 -5.253 -8.633 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.135 -4.991 -8.659 1.00 0.00 C ATOM 1013 C PRO A 65 -1.324 -6.287 -8.666 1.00 0.00 C ATOM 1014 O PRO A 65 -1.870 -7.373 -8.454 1.00 0.00 O ATOM 1015 CB PRO A 65 -1.908 -4.220 -7.363 1.00 0.00 C ATOM 1016 CG PRO A 65 -2.935 -4.752 -6.421 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.109 -5.195 -7.261 1.00 0.00 C ATOM 0 HA PRO A 65 -1.820 -4.451 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.900 -4.378 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.027 -3.147 -7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.536 -5.586 -5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.238 -3.987 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.485 -6.166 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.939 -4.492 -7.189 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.025 -6.175 -8.903 1.00 0.00 N ATOM 1026 CA ALA A 66 0.844 -7.342 -8.911 1.00 0.00 C ATOM 1027 C ALA A 66 1.318 -7.657 -7.499 1.00 0.00 C ATOM 1028 O ALA A 66 1.339 -8.813 -7.077 1.00 0.00 O ATOM 1029 CB ALA A 66 2.029 -7.116 -9.839 1.00 0.00 C ATOM 0 H ALA A 66 0.449 -5.292 -9.092 1.00 0.00 H new ATOM 0 HA ALA A 66 0.278 -8.196 -9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.669 -7.998 -9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.669 -6.936 -10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.599 -6.252 -9.497 1.00 0.00 H new ATOM 1035 N VAL A 67 1.689 -6.614 -6.775 1.00 0.00 N ATOM 1036 CA VAL A 67 2.143 -6.751 -5.400 1.00 0.00 C ATOM 1037 C VAL A 67 1.654 -5.555 -4.583 1.00 0.00 C ATOM 1038 O VAL A 67 1.402 -4.487 -5.141 1.00 0.00 O ATOM 1039 CB VAL A 67 3.689 -6.877 -5.334 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.369 -5.655 -5.932 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.170 -7.116 -3.910 1.00 0.00 C ATOM 0 H VAL A 67 1.684 -5.654 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 67 1.725 -7.665 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 67 3.967 -7.746 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.451 -5.774 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.074 -5.549 -6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.070 -4.765 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.257 -7.199 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.865 -6.282 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.733 -8.039 -3.528 1.00 0.00 H new ATOM 1051 N ILE A 68 1.477 -5.738 -3.283 1.00 0.00 N ATOM 1052 CA ILE A 68 1.002 -4.664 -2.425 1.00 0.00 C ATOM 1053 C ILE A 68 1.961 -4.445 -1.261 1.00 0.00 C ATOM 1054 O ILE A 68 2.257 -5.369 -0.500 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.414 -4.952 -1.872 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.393 -5.216 -3.021 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.898 -3.784 -1.022 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.785 -5.595 -2.561 1.00 0.00 C ATOM 0 H ILE A 68 1.655 -6.619 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 68 0.955 -3.764 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.367 -5.843 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.456 -4.324 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.997 -6.015 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.895 -4.001 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.214 -3.634 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.931 -2.880 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.421 -5.766 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.735 -6.505 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.202 -4.787 -1.960 1.00 0.00 H new ATOM 1070 N LEU A 69 2.453 -3.225 -1.134 1.00 0.00 N ATOM 1071 CA LEU A 69 3.327 -2.869 -0.031 1.00 0.00 C ATOM 1072 C LEU A 69 2.542 -2.080 1.002 1.00 0.00 C ATOM 1073 O LEU A 69 1.944 -1.049 0.686 1.00 0.00 O ATOM 1074 CB LEU A 69 4.527 -2.060 -0.527 1.00 0.00 C ATOM 1075 CG LEU A 69 5.484 -2.817 -1.453 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.574 -1.888 -1.963 1.00 0.00 C ATOM 1077 CD2 LEU A 69 6.097 -4.009 -0.738 1.00 0.00 C ATOM 0 H LEU A 69 2.261 -2.462 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 69 3.707 -3.782 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.159 -1.179 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.088 -1.705 0.337 1.00 0.00 H new ATOM 0 HG LEU A 69 4.913 -3.186 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.246 -2.441 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.121 -1.065 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.138 -1.490 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.773 -4.531 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.652 -3.664 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.306 -4.688 -0.419 1.00 0.00 H new ATOM 1089 N LEU A 70 2.537 -2.571 2.228 1.00 0.00 N ATOM 1090 CA LEU A 70 1.740 -1.976 3.283 1.00 0.00 C ATOM 1091 C LEU A 70 2.616 -1.089 4.158 1.00 0.00 C ATOM 1092 O LEU A 70 3.415 -1.583 4.955 1.00 0.00 O ATOM 1093 CB LEU A 70 1.081 -3.081 4.122 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.271 -2.733 4.765 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.133 -1.604 5.773 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -1.290 -2.370 3.696 1.00 0.00 C ATOM 0 H LEU A 70 3.079 -3.385 2.518 1.00 0.00 H new ATOM 0 HA LEU A 70 0.957 -1.360 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.943 -3.956 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.773 -3.368 4.914 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.622 -3.615 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.108 -1.384 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.558 -1.903 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.250 -0.715 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.242 -2.126 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.934 -1.508 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.426 -3.215 3.021 1.00 0.00 H new ATOM 1108 N GLY A 71 2.477 0.216 3.993 1.00 0.00 N ATOM 1109 CA GLY A 71 3.195 1.150 4.829 1.00 0.00 C ATOM 1110 C GLY A 71 2.494 1.331 6.157 1.00 0.00 C ATOM 1111 O GLY A 71 1.569 2.132 6.275 1.00 0.00 O ATOM 0 H GLY A 71 1.876 0.646 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.211 0.790 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.276 2.111 4.322 1.00 0.00 H new ATOM 1115 N THR A 72 2.928 0.583 7.151 1.00 0.00 N ATOM 1116 CA THR A 72 2.264 0.560 8.443 1.00 0.00 C ATOM 1117 C THR A 72 2.830 1.648 9.357 1.00 0.00 C ATOM 1118 O THR A 72 3.372 1.361 10.426 1.00 0.00 O ATOM 1119 CB THR A 72 2.441 -0.824 9.098 1.00 0.00 C ATOM 1120 OG1 THR A 72 2.441 -1.839 8.082 1.00 0.00 O ATOM 1121 CG2 THR A 72 1.323 -1.111 10.084 1.00 0.00 C ATOM 0 H THR A 72 3.746 -0.023 7.089 1.00 0.00 H new ATOM 0 HA THR A 72 1.202 0.753 8.293 1.00 0.00 H new ATOM 0 HB THR A 72 3.389 -0.826 9.636 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.394 -2.723 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.475 -2.094 10.530 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.325 -0.353 10.867 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.365 -1.093 9.564 1.00 0.00 H new ATOM 1129 N GLY A 73 2.695 2.904 8.937 1.00 0.00 N ATOM 1130 CA GLY A 73 3.311 3.993 9.665 1.00 0.00 C ATOM 1131 C GLY A 73 4.813 3.824 9.740 1.00 0.00 C ATOM 1132 O GLY A 73 5.490 3.798 8.715 1.00 0.00 O ATOM 0 H GLY A 73 2.171 3.183 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.073 4.939 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.897 4.040 10.672 1.00 0.00 H new ATOM 1136 N GLU A 74 5.327 3.682 10.950 1.00 0.00 N ATOM 1137 CA GLU A 74 6.746 3.434 11.156 1.00 0.00 C ATOM 1138 C GLU A 74 6.947 2.284 12.134 1.00 0.00 C ATOM 1139 O GLU A 74 8.055 2.044 12.623 1.00 0.00 O ATOM 1140 CB GLU A 74 7.453 4.698 11.646 1.00 0.00 C ATOM 1141 CG GLU A 74 7.741 5.693 10.531 1.00 0.00 C ATOM 1142 CD GLU A 74 8.662 5.116 9.472 1.00 0.00 C ATOM 1143 OE1 GLU A 74 9.829 4.816 9.804 1.00 0.00 O ATOM 1144 OE2 GLU A 74 8.232 4.964 8.310 1.00 0.00 O ATOM 0 H GLU A 74 4.780 3.734 11.810 1.00 0.00 H new ATOM 0 HA GLU A 74 7.189 3.152 10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.837 5.180 12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.391 4.419 12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.803 5.998 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.194 6.590 10.954 1.00 0.00 H new ATOM 1151 N ARG A 75 5.863 1.567 12.395 1.00 0.00 N ATOM 1152 CA ARG A 75 5.891 0.396 13.254 1.00 0.00 C ATOM 1153 C ARG A 75 5.216 -0.776 12.557 1.00 0.00 C ATOM 1154 O ARG A 75 4.039 -0.701 12.211 1.00 0.00 O ATOM 1155 CB ARG A 75 5.186 0.677 14.585 1.00 0.00 C ATOM 1156 CG ARG A 75 5.930 1.638 15.496 1.00 0.00 C ATOM 1157 CD ARG A 75 7.306 1.108 15.871 1.00 0.00 C ATOM 1158 NE ARG A 75 7.254 -0.281 16.330 1.00 0.00 N ATOM 1159 CZ ARG A 75 7.264 -0.650 17.609 1.00 0.00 C ATOM 1160 NH1 ARG A 75 7.314 0.264 18.572 1.00 0.00 N ATOM 1161 NH2 ARG A 75 7.207 -1.937 17.927 1.00 0.00 N ATOM 0 H ARG A 75 4.941 1.782 12.016 1.00 0.00 H new ATOM 0 HA ARG A 75 6.933 0.149 13.458 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.196 1.083 14.379 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.041 -0.266 15.112 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.035 2.603 14.999 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.346 1.807 16.401 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.969 1.180 15.009 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.734 1.733 16.655 1.00 0.00 H new ATOM 0 HE ARG A 75 7.207 -1.015 15.623 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.345 1.255 18.333 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.321 -0.026 19.550 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.156 -2.642 17.192 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.215 -2.221 18.907 1.00 0.00 H new ATOM 1175 N GLN A 76 5.960 -1.851 12.347 1.00 0.00 N ATOM 1176 CA GLN A 76 5.411 -3.032 11.699 1.00 0.00 C ATOM 1177 C GLN A 76 4.480 -3.743 12.668 1.00 0.00 C ATOM 1178 O GLN A 76 4.920 -4.307 13.673 1.00 0.00 O ATOM 1179 CB GLN A 76 6.538 -3.965 11.233 1.00 0.00 C ATOM 1180 CG GLN A 76 6.113 -4.999 10.191 1.00 0.00 C ATOM 1181 CD GLN A 76 5.372 -6.197 10.767 1.00 0.00 C ATOM 1182 OE1 GLN A 76 4.500 -6.770 10.115 1.00 0.00 O ATOM 1183 NE2 GLN A 76 5.730 -6.604 11.976 1.00 0.00 N ATOM 0 H GLN A 76 6.941 -1.930 12.614 1.00 0.00 H new ATOM 0 HA GLN A 76 4.846 -2.734 10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.345 -3.361 10.819 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.943 -4.487 12.100 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.476 -4.513 9.452 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.999 -5.353 9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.457 -6.104 12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.278 -7.417 12.395 1.00 0.00 H new ATOM 1192 N GLN A 77 3.194 -3.679 12.382 1.00 0.00 N ATOM 1193 CA GLN A 77 2.190 -4.276 13.242 1.00 0.00 C ATOM 1194 C GLN A 77 1.349 -5.264 12.454 1.00 0.00 C ATOM 1195 O GLN A 77 1.210 -5.140 11.238 1.00 0.00 O ATOM 1196 CB GLN A 77 1.295 -3.196 13.852 1.00 0.00 C ATOM 1197 CG GLN A 77 2.044 -2.181 14.698 1.00 0.00 C ATOM 1198 CD GLN A 77 1.123 -1.179 15.368 1.00 0.00 C ATOM 1199 OE1 GLN A 77 1.496 -0.026 15.592 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -0.086 -1.609 15.702 1.00 0.00 N ATOM 0 H GLN A 77 2.818 -3.216 11.555 1.00 0.00 H new ATOM 0 HA GLN A 77 2.696 -4.805 14.050 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.775 -2.673 13.049 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.532 -3.674 14.467 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.620 -2.705 15.461 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.758 -1.648 14.070 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.359 -2.571 15.500 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.743 -0.978 16.161 1.00 0.00 H new ATOM 1209 N PHE A 78 0.792 -6.243 13.150 1.00 0.00 N ATOM 1210 CA PHE A 78 -0.036 -7.251 12.512 1.00 0.00 C ATOM 1211 C PHE A 78 -1.419 -6.688 12.209 1.00 0.00 C ATOM 1212 O PHE A 78 -2.108 -6.204 13.108 1.00 0.00 O ATOM 1213 CB PHE A 78 -0.155 -8.492 13.399 1.00 0.00 C ATOM 1214 CG PHE A 78 1.151 -9.200 13.610 1.00 0.00 C ATOM 1215 CD1 PHE A 78 1.633 -10.087 12.659 1.00 0.00 C ATOM 1216 CD2 PHE A 78 1.898 -8.981 14.757 1.00 0.00 C ATOM 1217 CE1 PHE A 78 2.836 -10.740 12.847 1.00 0.00 C ATOM 1218 CE2 PHE A 78 3.103 -9.631 14.949 1.00 0.00 C ATOM 1219 CZ PHE A 78 3.571 -10.512 13.992 1.00 0.00 C ATOM 0 H PHE A 78 0.899 -6.360 14.158 1.00 0.00 H new ATOM 0 HA PHE A 78 0.439 -7.540 11.574 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.562 -8.200 14.367 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.867 -9.184 12.949 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.061 -10.269 11.761 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.535 -8.296 15.508 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.200 -11.428 12.099 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.678 -9.451 15.845 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.512 -11.022 14.141 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.829 -6.716 10.933 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.142 -6.242 10.514 1.00 0.00 C ATOM 1231 C PRO A 79 -4.248 -7.233 10.865 1.00 0.00 C ATOM 1232 O PRO A 79 -3.993 -8.295 11.441 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.022 -6.103 8.987 1.00 0.00 C ATOM 1234 CG PRO A 79 -1.591 -6.382 8.655 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.043 -7.194 9.792 1.00 0.00 C ATOM 0 HA PRO A 79 -3.409 -5.311 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.684 -6.805 8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.309 -5.103 8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.510 -6.926 7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.032 -5.454 8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.176 -8.263 9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.024 -7.024 9.935 1.00 0.00 H new ATOM 1243 N SER A 80 -5.476 -6.878 10.516 1.00 0.00 N ATOM 1244 CA SER A 80 -6.621 -7.744 10.736 1.00 0.00 C ATOM 1245 C SER A 80 -6.466 -9.042 9.940 1.00 0.00 C ATOM 1246 O SER A 80 -6.011 -9.024 8.794 1.00 0.00 O ATOM 1247 CB SER A 80 -7.894 -7.010 10.318 1.00 0.00 C ATOM 1248 OG SER A 80 -7.893 -5.675 10.809 1.00 0.00 O ATOM 0 H SER A 80 -5.704 -5.987 10.075 1.00 0.00 H new ATOM 0 HA SER A 80 -6.684 -8.000 11.794 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.974 -7.002 9.231 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.767 -7.541 10.698 1.00 0.00 H new ATOM 0 HG SER A 80 -8.357 -5.092 10.173 1.00 0.00 H new ATOM 1254 N THR A 81 -6.851 -10.160 10.546 1.00 0.00 N ATOM 1255 CA THR A 81 -6.684 -11.469 9.924 1.00 0.00 C ATOM 1256 C THR A 81 -7.536 -11.582 8.660 1.00 0.00 C ATOM 1257 O THR A 81 -7.177 -12.287 7.713 1.00 0.00 O ATOM 1258 CB THR A 81 -7.039 -12.610 10.908 1.00 0.00 C ATOM 1259 OG1 THR A 81 -6.772 -13.887 10.314 1.00 0.00 O ATOM 1260 CG2 THR A 81 -8.501 -12.543 11.329 1.00 0.00 C ATOM 0 H THR A 81 -7.282 -10.186 11.470 1.00 0.00 H new ATOM 0 HA THR A 81 -5.634 -11.570 9.650 1.00 0.00 H new ATOM 0 HB THR A 81 -6.416 -12.484 11.793 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.000 -14.597 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.718 -13.358 12.020 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.695 -11.589 11.820 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.138 -12.634 10.449 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.653 -10.859 8.645 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.548 -10.838 7.494 1.00 0.00 C ATOM 1270 C ASP A 82 -8.826 -10.293 6.269 1.00 0.00 C ATOM 1271 O ASP A 82 -9.030 -10.761 5.151 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.778 -9.973 7.785 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.586 -10.466 8.968 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -11.284 -10.060 10.110 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -12.538 -11.245 8.762 1.00 0.00 O ATOM 0 H ASP A 82 -8.960 -10.276 9.424 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.869 -11.861 7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.458 -8.948 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.416 -9.950 6.901 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.966 -9.310 6.501 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.211 -8.669 5.433 1.00 0.00 C ATOM 1282 C VAL A 83 -6.171 -9.625 4.860 1.00 0.00 C ATOM 1283 O VAL A 83 -5.982 -9.704 3.645 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.513 -7.391 5.945 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -5.685 -6.739 4.850 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -7.537 -6.412 6.496 1.00 0.00 C ATOM 0 H VAL A 83 -7.773 -8.936 7.430 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.914 -8.396 4.646 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.835 -7.677 6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.206 -5.842 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.922 -7.437 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.333 -6.470 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.029 -5.516 6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.241 -6.141 5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.077 -6.876 7.321 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.526 -10.373 5.746 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.472 -11.301 5.357 1.00 0.00 C ATOM 1298 C LEU A 84 -5.021 -12.413 4.465 1.00 0.00 C ATOM 1299 O LEU A 84 -4.305 -12.971 3.634 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.818 -11.903 6.603 1.00 0.00 C ATOM 1301 CG LEU A 84 -3.208 -10.887 7.573 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.667 -11.589 8.808 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.106 -10.089 6.890 1.00 0.00 C ATOM 0 H LEU A 84 -5.717 -10.354 6.748 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.724 -10.748 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.564 -12.490 7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.037 -12.594 6.286 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.992 -10.196 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.237 -10.852 9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.477 -12.116 9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.898 -12.303 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.685 -9.373 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.323 -10.767 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.520 -9.555 6.034 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.296 -12.728 4.641 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.938 -13.768 3.852 1.00 0.00 C ATOM 1317 C ALA A 85 -7.243 -13.276 2.440 1.00 0.00 C ATOM 1318 O ALA A 85 -7.240 -14.056 1.489 1.00 0.00 O ATOM 1319 CB ALA A 85 -8.212 -14.237 4.536 1.00 0.00 C ATOM 0 H ALA A 85 -6.906 -12.278 5.323 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.249 -14.609 3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.682 -15.015 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.970 -14.636 5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.898 -13.397 4.643 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.477 -11.977 2.309 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.873 -11.392 1.033 1.00 0.00 C ATOM 1327 C ALA A 86 -6.719 -11.384 0.033 1.00 0.00 C ATOM 1328 O ALA A 86 -6.889 -11.740 -1.135 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.402 -9.982 1.245 1.00 0.00 C ATOM 0 H ALA A 86 -7.399 -11.306 3.073 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.666 -12.012 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.695 -9.555 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.267 -10.014 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.624 -9.365 1.694 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.541 -10.988 0.492 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.375 -10.922 -0.380 1.00 0.00 C ATOM 1337 C CYS A 87 -3.868 -12.322 -0.717 1.00 0.00 C ATOM 1338 O CYS A 87 -3.423 -12.580 -1.839 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.265 -10.102 0.280 1.00 0.00 C ATOM 1340 SG CYS A 87 -2.807 -10.674 1.932 1.00 0.00 S ATOM 0 H CYS A 87 -5.366 -10.709 1.457 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.671 -10.433 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.382 -10.126 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.585 -9.062 0.343 1.00 0.00 H new ATOM 0 HG CYS A 87 -3.642 -11.592 2.320 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.961 -13.225 0.254 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.460 -14.585 0.094 1.00 0.00 C ATOM 1348 C LEU A 88 -4.271 -15.339 -0.956 1.00 0.00 C ATOM 1349 O LEU A 88 -3.708 -15.984 -1.841 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.499 -15.314 1.447 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.743 -16.650 1.523 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.407 -16.979 2.967 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -3.559 -17.784 0.919 1.00 0.00 C ATOM 0 H LEU A 88 -4.381 -13.038 1.164 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.427 -14.544 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.092 -14.647 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.542 -15.496 1.708 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.823 -16.545 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.872 -17.927 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.781 -16.190 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.327 -17.056 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.996 -18.715 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.498 -17.886 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.768 -17.564 -0.128 1.00 0.00 H new ATOM 1365 N THR A 89 -5.592 -15.236 -0.873 1.00 0.00 N ATOM 1366 CA THR A 89 -6.475 -15.970 -1.771 1.00 0.00 C ATOM 1367 C THR A 89 -6.330 -15.500 -3.219 1.00 0.00 C ATOM 1368 O THR A 89 -6.454 -16.294 -4.154 1.00 0.00 O ATOM 1369 CB THR A 89 -7.944 -15.842 -1.330 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.231 -14.483 -0.978 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.236 -16.753 -0.147 1.00 0.00 C ATOM 0 H THR A 89 -6.076 -14.651 -0.192 1.00 0.00 H new ATOM 0 HA THR A 89 -6.178 -17.017 -1.719 1.00 0.00 H new ATOM 0 HB THR A 89 -8.580 -16.143 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.089 -14.357 -0.016 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.280 -16.645 0.146 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.044 -17.788 -0.429 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.594 -16.479 0.690 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.056 -14.213 -3.403 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.867 -13.660 -4.739 1.00 0.00 C ATOM 1381 C ARG A 90 -4.454 -13.926 -5.254 1.00 0.00 C ATOM 1382 O ARG A 90 -4.171 -13.739 -6.437 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.138 -12.156 -4.752 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.594 -11.785 -4.534 1.00 0.00 C ATOM 1385 CD ARG A 90 -7.806 -10.301 -4.757 1.00 0.00 C ATOM 1386 NE ARG A 90 -9.213 -9.911 -4.653 1.00 0.00 N ATOM 1387 CZ ARG A 90 -9.858 -9.218 -5.593 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -9.264 -8.946 -6.749 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.104 -8.807 -5.391 1.00 0.00 N ATOM 0 H ARG A 90 -5.960 -13.535 -2.647 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.580 -14.157 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.534 -11.682 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.809 -11.747 -5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.226 -12.354 -5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.895 -12.053 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.223 -9.741 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.429 -10.028 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.728 -10.184 -3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.311 -9.267 -6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.760 -8.416 -7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.575 -9.021 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.590 -8.278 -6.115 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.571 -14.354 -4.361 1.00 0.00 N ATOM 1404 CA GLY A 91 -2.200 -14.627 -4.748 1.00 0.00 C ATOM 1405 C GLY A 91 -1.404 -13.357 -4.970 1.00 0.00 C ATOM 1406 O GLY A 91 -0.558 -13.285 -5.865 1.00 0.00 O ATOM 0 H GLY A 91 -3.779 -14.517 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.718 -15.225 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.194 -15.222 -5.661 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.690 -12.347 -4.162 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.990 -11.076 -4.249 1.00 0.00 C ATOM 1412 C ILE A 92 -0.073 -10.907 -3.046 1.00 0.00 C ATOM 1413 O ILE A 92 -0.514 -11.025 -1.900 1.00 0.00 O ATOM 1414 CB ILE A 92 -1.973 -9.885 -4.309 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -2.964 -10.063 -5.466 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.209 -8.576 -4.460 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.001 -8.962 -5.555 1.00 0.00 C ATOM 0 H ILE A 92 -2.405 -12.384 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.406 -11.084 -5.169 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.536 -9.854 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.410 -10.105 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.472 -11.021 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.914 -7.746 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.542 -8.444 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.624 -8.600 -5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.666 -9.156 -6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.581 -8.933 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.503 -8.004 -5.700 1.00 0.00 H new ATOM 1429 N GLY A 93 1.200 -10.654 -3.311 1.00 0.00 N ATOM 1430 CA GLY A 93 2.161 -10.474 -2.241 1.00 0.00 C ATOM 1431 C GLY A 93 1.896 -9.217 -1.433 1.00 0.00 C ATOM 1432 O GLY A 93 1.725 -8.137 -1.996 1.00 0.00 O ATOM 0 H GLY A 93 1.586 -10.570 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.132 -11.341 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.165 -10.427 -2.662 1.00 0.00 H new ATOM 1436 N LEU A 94 1.846 -9.366 -0.118 1.00 0.00 N ATOM 1437 CA LEU A 94 1.629 -8.241 0.780 1.00 0.00 C ATOM 1438 C LEU A 94 2.777 -8.136 1.779 1.00 0.00 C ATOM 1439 O LEU A 94 2.987 -9.038 2.590 1.00 0.00 O ATOM 1440 CB LEU A 94 0.297 -8.400 1.524 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.030 -7.294 2.535 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.185 -5.955 1.832 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.292 -7.638 3.313 1.00 0.00 C ATOM 0 H LEU A 94 1.954 -10.263 0.355 1.00 0.00 H new ATOM 0 HA LEU A 94 1.591 -7.327 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.507 -8.446 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.305 -9.356 2.047 1.00 0.00 H new ATOM 0 HG LEU A 94 0.798 -7.217 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.417 -5.183 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.744 -5.703 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.994 -6.018 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.508 -6.842 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.128 -7.744 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.144 -8.575 3.850 1.00 0.00 H new ATOM 1455 N GLU A 95 3.524 -7.044 1.709 1.00 0.00 N ATOM 1456 CA GLU A 95 4.646 -6.830 2.615 1.00 0.00 C ATOM 1457 C GLU A 95 4.379 -5.651 3.541 1.00 0.00 C ATOM 1458 O GLU A 95 4.291 -4.508 3.093 1.00 0.00 O ATOM 1459 CB GLU A 95 5.939 -6.586 1.830 1.00 0.00 C ATOM 1460 CG GLU A 95 6.301 -7.710 0.875 1.00 0.00 C ATOM 1461 CD GLU A 95 7.683 -7.544 0.280 1.00 0.00 C ATOM 1462 OE1 GLU A 95 8.676 -7.725 1.017 1.00 0.00 O ATOM 1463 OE2 GLU A 95 7.786 -7.233 -0.923 1.00 0.00 O ATOM 0 H GLU A 95 3.375 -6.292 1.036 1.00 0.00 H new ATOM 0 HA GLU A 95 4.762 -7.731 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.840 -5.660 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.758 -6.443 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.249 -8.662 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.566 -7.750 0.071 1.00 0.00 H new ATOM 1470 N ALA A 96 4.236 -5.936 4.829 1.00 0.00 N ATOM 1471 CA ALA A 96 4.042 -4.893 5.827 1.00 0.00 C ATOM 1472 C ALA A 96 5.385 -4.301 6.233 1.00 0.00 C ATOM 1473 O ALA A 96 6.280 -5.019 6.682 1.00 0.00 O ATOM 1474 CB ALA A 96 3.310 -5.444 7.041 1.00 0.00 C ATOM 0 H ALA A 96 4.251 -6.883 5.207 1.00 0.00 H new ATOM 0 HA ALA A 96 3.430 -4.103 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.174 -4.650 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.336 -5.826 6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.894 -6.251 7.483 1.00 0.00 H new ATOM 1480 N MET A 97 5.527 -2.996 6.063 1.00 0.00 N ATOM 1481 CA MET A 97 6.791 -2.313 6.324 1.00 0.00 C ATOM 1482 C MET A 97 6.529 -0.897 6.818 1.00 0.00 C ATOM 1483 O MET A 97 5.389 -0.528 7.083 1.00 0.00 O ATOM 1484 CB MET A 97 7.658 -2.255 5.056 1.00 0.00 C ATOM 1485 CG MET A 97 8.090 -3.613 4.526 1.00 0.00 C ATOM 1486 SD MET A 97 9.174 -3.488 3.090 1.00 0.00 S ATOM 1487 CE MET A 97 8.150 -2.534 1.974 1.00 0.00 C ATOM 0 H MET A 97 4.778 -2.382 5.743 1.00 0.00 H new ATOM 0 HA MET A 97 7.325 -2.877 7.089 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.104 -1.734 4.275 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.548 -1.661 5.266 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.603 -4.160 5.317 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.206 -4.192 4.259 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.514 -2.654 0.954 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.120 -2.885 2.036 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.192 -1.481 2.252 1.00 0.00 H new ATOM 1497 N THR A 98 7.586 -0.110 6.932 1.00 0.00 N ATOM 1498 CA THR A 98 7.464 1.278 7.342 1.00 0.00 C ATOM 1499 C THR A 98 7.302 2.178 6.122 1.00 0.00 C ATOM 1500 O THR A 98 7.725 1.816 5.020 1.00 0.00 O ATOM 1501 CB THR A 98 8.697 1.715 8.158 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.900 1.446 7.423 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.746 0.982 9.487 1.00 0.00 C ATOM 0 H THR A 98 8.542 -0.411 6.745 1.00 0.00 H new ATOM 0 HA THR A 98 6.579 1.371 7.972 1.00 0.00 H new ATOM 0 HB THR A 98 8.618 2.786 8.345 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.676 1.729 7.950 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.623 1.304 10.048 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.846 1.207 10.060 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.804 -0.092 9.308 1.00 0.00 H new ATOM 1511 N ASN A 99 6.693 3.341 6.313 1.00 0.00 N ATOM 1512 CA ASN A 99 6.457 4.280 5.218 1.00 0.00 C ATOM 1513 C ASN A 99 7.771 4.741 4.609 1.00 0.00 C ATOM 1514 O ASN A 99 7.903 4.831 3.387 1.00 0.00 O ATOM 1515 CB ASN A 99 5.661 5.495 5.702 1.00 0.00 C ATOM 1516 CG ASN A 99 4.199 5.180 5.962 1.00 0.00 C ATOM 1517 OD1 ASN A 99 3.603 4.334 5.297 1.00 0.00 O ATOM 1518 ND2 ASN A 99 3.608 5.862 6.931 1.00 0.00 N ATOM 0 H ASN A 99 6.351 3.660 7.220 1.00 0.00 H new ATOM 0 HA ASN A 99 5.877 3.759 4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.113 5.878 6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.729 6.288 4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.626 5.693 7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.135 6.556 7.461 1.00 0.00 H new ATOM 1525 N ALA A 100 8.747 5.004 5.471 1.00 0.00 N ATOM 1526 CA ALA A 100 10.060 5.463 5.034 1.00 0.00 C ATOM 1527 C ALA A 100 10.752 4.431 4.142 1.00 0.00 C ATOM 1528 O ALA A 100 11.584 4.781 3.308 1.00 0.00 O ATOM 1529 CB ALA A 100 10.931 5.784 6.239 1.00 0.00 C ATOM 0 H ALA A 100 8.652 4.906 6.482 1.00 0.00 H new ATOM 0 HA ALA A 100 9.915 6.367 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.909 6.126 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.458 6.567 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.051 4.889 6.850 1.00 0.00 H new ATOM 1535 N ALA A 101 10.399 3.162 4.314 1.00 0.00 N ATOM 1536 CA ALA A 101 11.016 2.092 3.540 1.00 0.00 C ATOM 1537 C ALA A 101 10.173 1.733 2.320 1.00 0.00 C ATOM 1538 O ALA A 101 10.700 1.571 1.217 1.00 0.00 O ATOM 1539 CB ALA A 101 11.233 0.864 4.412 1.00 0.00 C ATOM 0 H ALA A 101 9.692 2.850 4.980 1.00 0.00 H new ATOM 0 HA ALA A 101 11.983 2.450 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.694 0.074 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.886 1.121 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.274 0.516 4.796 1.00 0.00 H new ATOM 1545 N ALA A 102 8.863 1.627 2.521 1.00 0.00 N ATOM 1546 CA ALA A 102 7.941 1.228 1.461 1.00 0.00 C ATOM 1547 C ALA A 102 8.005 2.184 0.274 1.00 0.00 C ATOM 1548 O ALA A 102 7.962 1.757 -0.881 1.00 0.00 O ATOM 1549 CB ALA A 102 6.518 1.150 2.001 1.00 0.00 C ATOM 0 H ALA A 102 8.412 1.814 3.417 1.00 0.00 H new ATOM 0 HA ALA A 102 8.244 0.241 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.841 0.852 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.474 0.416 2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.220 2.126 2.383 1.00 0.00 H new ATOM 1555 N ALA A 103 8.127 3.473 0.569 1.00 0.00 N ATOM 1556 CA ALA A 103 8.196 4.499 -0.467 1.00 0.00 C ATOM 1557 C ALA A 103 9.402 4.289 -1.375 1.00 0.00 C ATOM 1558 O ALA A 103 9.353 4.574 -2.573 1.00 0.00 O ATOM 1559 CB ALA A 103 8.250 5.878 0.169 1.00 0.00 C ATOM 0 H ALA A 103 8.180 3.835 1.521 1.00 0.00 H new ATOM 0 HA ALA A 103 7.298 4.422 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.301 6.637 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.355 6.036 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.132 5.951 0.805 1.00 0.00 H new ATOM 1565 N ARG A 104 10.480 3.770 -0.806 1.00 0.00 N ATOM 1566 CA ARG A 104 11.712 3.571 -1.553 1.00 0.00 C ATOM 1567 C ARG A 104 11.584 2.357 -2.467 1.00 0.00 C ATOM 1568 O ARG A 104 11.905 2.427 -3.654 1.00 0.00 O ATOM 1569 CB ARG A 104 12.888 3.400 -0.592 1.00 0.00 C ATOM 1570 CG ARG A 104 12.998 4.526 0.425 1.00 0.00 C ATOM 1571 CD ARG A 104 14.172 4.316 1.367 1.00 0.00 C ATOM 1572 NE ARG A 104 15.455 4.477 0.689 1.00 0.00 N ATOM 1573 CZ ARG A 104 16.532 3.739 0.943 1.00 0.00 C ATOM 1574 NH1 ARG A 104 16.477 2.759 1.837 1.00 0.00 N ATOM 1575 NH2 ARG A 104 17.663 3.976 0.296 1.00 0.00 N ATOM 0 H ARG A 104 10.526 3.479 0.171 1.00 0.00 H new ATOM 0 HA ARG A 104 11.896 4.449 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 104 12.783 2.452 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 104 13.813 3.345 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 104 13.114 5.477 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 104 12.075 4.588 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 104 14.106 5.026 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 104 14.114 3.318 1.801 1.00 0.00 H new ATOM 0 HE ARG A 104 15.530 5.202 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.606 2.569 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 104 17.306 2.196 2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 104 17.707 4.724 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 104 18.490 3.411 0.490 1.00 0.00 H new ATOM 1589 N THR A 105 11.087 1.258 -1.912 1.00 0.00 N ATOM 1590 CA THR A 105 10.874 0.037 -2.676 1.00 0.00 C ATOM 1591 C THR A 105 9.846 0.262 -3.787 1.00 0.00 C ATOM 1592 O THR A 105 9.963 -0.300 -4.880 1.00 0.00 O ATOM 1593 CB THR A 105 10.410 -1.107 -1.752 1.00 0.00 C ATOM 1594 OG1 THR A 105 11.361 -1.284 -0.693 1.00 0.00 O ATOM 1595 CG2 THR A 105 10.254 -2.411 -2.522 1.00 0.00 C ATOM 0 H THR A 105 10.823 1.189 -0.929 1.00 0.00 H new ATOM 0 HA THR A 105 11.823 -0.243 -3.133 1.00 0.00 H new ATOM 0 HB THR A 105 9.438 -0.838 -1.338 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.065 -2.010 -0.105 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.926 -3.198 -1.843 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.514 -2.281 -3.311 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.211 -2.689 -2.964 1.00 0.00 H new ATOM 1603 N TYR A 106 8.854 1.102 -3.502 1.00 0.00 N ATOM 1604 CA TYR A 106 7.834 1.463 -4.482 1.00 0.00 C ATOM 1605 C TYR A 106 8.466 2.033 -5.749 1.00 0.00 C ATOM 1606 O TYR A 106 8.168 1.582 -6.854 1.00 0.00 O ATOM 1607 CB TYR A 106 6.861 2.481 -3.874 1.00 0.00 C ATOM 1608 CG TYR A 106 5.950 3.148 -4.883 1.00 0.00 C ATOM 1609 CD1 TYR A 106 4.877 2.468 -5.443 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.168 4.465 -5.272 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.047 3.078 -6.362 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.342 5.082 -6.191 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.285 4.386 -6.733 1.00 0.00 C ATOM 1614 OH TYR A 106 3.462 5.001 -7.648 1.00 0.00 O ATOM 0 H TYR A 106 8.735 1.548 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 106 7.287 0.560 -4.754 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.249 1.979 -3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.434 3.249 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.688 1.444 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.996 5.014 -4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.216 2.535 -6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.524 6.106 -6.483 1.00 0.00 H new ATOM 0 HH TYR A 106 3.768 5.920 -7.797 1.00 0.00 H new ATOM 1624 N ASN A 107 9.354 3.006 -5.575 1.00 0.00 N ATOM 1625 CA ASN A 107 10.004 3.669 -6.699 1.00 0.00 C ATOM 1626 C ASN A 107 10.816 2.680 -7.526 1.00 0.00 C ATOM 1627 O ASN A 107 10.862 2.771 -8.754 1.00 0.00 O ATOM 1628 CB ASN A 107 10.903 4.799 -6.193 1.00 0.00 C ATOM 1629 CG ASN A 107 10.146 6.093 -5.958 1.00 0.00 C ATOM 1630 OD1 ASN A 107 10.017 6.921 -6.857 1.00 0.00 O ATOM 1631 ND2 ASN A 107 9.639 6.282 -4.747 1.00 0.00 N ATOM 0 H ASN A 107 9.641 3.354 -4.660 1.00 0.00 H new ATOM 0 HA ASN A 107 9.229 4.089 -7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.380 4.489 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.699 4.975 -6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 107 9.123 7.136 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 107 9.766 5.573 -4.025 1.00 0.00 H new ATOM 1638 N VAL A 108 11.444 1.727 -6.849 1.00 0.00 N ATOM 1639 CA VAL A 108 12.225 0.700 -7.521 1.00 0.00 C ATOM 1640 C VAL A 108 11.327 -0.197 -8.374 1.00 0.00 C ATOM 1641 O VAL A 108 11.550 -0.353 -9.577 1.00 0.00 O ATOM 1642 CB VAL A 108 13.004 -0.171 -6.509 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.758 -1.288 -7.216 1.00 0.00 C ATOM 1644 CG2 VAL A 108 13.963 0.686 -5.696 1.00 0.00 C ATOM 0 H VAL A 108 11.427 1.645 -5.832 1.00 0.00 H new ATOM 0 HA VAL A 108 12.940 1.212 -8.165 1.00 0.00 H new ATOM 0 HB VAL A 108 12.283 -0.627 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.297 -1.885 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.051 -1.922 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.466 -0.858 -7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.503 0.057 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.673 1.172 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.401 1.444 -5.151 1.00 0.00 H new ATOM 1654 N LEU A 109 10.303 -0.761 -7.746 1.00 0.00 N ATOM 1655 CA LEU A 109 9.420 -1.715 -8.411 1.00 0.00 C ATOM 1656 C LEU A 109 8.649 -1.063 -9.554 1.00 0.00 C ATOM 1657 O LEU A 109 8.534 -1.634 -10.642 1.00 0.00 O ATOM 1658 CB LEU A 109 8.439 -2.323 -7.405 1.00 0.00 C ATOM 1659 CG LEU A 109 9.080 -3.130 -6.274 1.00 0.00 C ATOM 1660 CD1 LEU A 109 8.012 -3.672 -5.338 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.921 -4.268 -6.833 1.00 0.00 C ATOM 0 H LEU A 109 10.062 -0.574 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 109 10.045 -2.504 -8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.849 -1.519 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.746 -2.970 -7.943 1.00 0.00 H new ATOM 0 HG LEU A 109 9.734 -2.466 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.484 -4.244 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.450 -2.843 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.334 -4.319 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.367 -4.828 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.289 -4.931 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.710 -3.861 -7.465 1.00 0.00 H new ATOM 1673 N ALA A 110 8.139 0.141 -9.309 1.00 0.00 N ATOM 1674 CA ALA A 110 7.325 0.853 -10.289 1.00 0.00 C ATOM 1675 C ALA A 110 8.100 1.120 -11.577 1.00 0.00 C ATOM 1676 O ALA A 110 7.537 1.076 -12.669 1.00 0.00 O ATOM 1677 CB ALA A 110 6.815 2.160 -9.704 1.00 0.00 C ATOM 0 H ALA A 110 8.277 0.647 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 110 6.475 0.216 -10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.210 2.679 -10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.208 1.952 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.661 2.787 -9.422 1.00 0.00 H new ATOM 1683 N SER A 111 9.391 1.382 -11.439 1.00 0.00 N ATOM 1684 CA SER A 111 10.236 1.676 -12.587 1.00 0.00 C ATOM 1685 C SER A 111 10.490 0.425 -13.428 1.00 0.00 C ATOM 1686 O SER A 111 10.639 0.502 -14.648 1.00 0.00 O ATOM 1687 CB SER A 111 11.556 2.278 -12.113 1.00 0.00 C ATOM 1688 OG SER A 111 11.330 3.446 -11.339 1.00 0.00 O ATOM 0 H SER A 111 9.877 1.397 -10.542 1.00 0.00 H new ATOM 0 HA SER A 111 9.717 2.397 -13.219 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.103 1.544 -11.521 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.179 2.522 -12.973 1.00 0.00 H new ATOM 0 HG SER A 111 11.082 3.190 -10.426 1.00 0.00 H new ATOM 1694 N GLU A 112 10.529 -0.730 -12.771 1.00 0.00 N ATOM 1695 CA GLU A 112 10.738 -1.998 -13.461 1.00 0.00 C ATOM 1696 C GLU A 112 9.459 -2.391 -14.195 1.00 0.00 C ATOM 1697 O GLU A 112 9.489 -2.882 -15.328 1.00 0.00 O ATOM 1698 CB GLU A 112 11.123 -3.081 -12.432 1.00 0.00 C ATOM 1699 CG GLU A 112 11.716 -4.361 -13.019 1.00 0.00 C ATOM 1700 CD GLU A 112 10.719 -5.207 -13.790 1.00 0.00 C ATOM 1701 OE1 GLU A 112 9.569 -5.369 -13.327 1.00 0.00 O ATOM 1702 OE2 GLU A 112 11.084 -5.725 -14.867 1.00 0.00 O ATOM 0 H GLU A 112 10.418 -0.814 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 112 11.545 -1.899 -14.187 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.842 -2.655 -11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.235 -3.343 -11.856 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.541 -4.097 -13.681 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.135 -4.959 -12.210 1.00 0.00 H new ATOM 1709 N GLY A 113 8.334 -2.122 -13.562 1.00 0.00 N ATOM 1710 CA GLY A 113 7.065 -2.550 -14.099 1.00 0.00 C ATOM 1711 C GLY A 113 6.336 -3.447 -13.126 1.00 0.00 C ATOM 1712 O GLY A 113 5.246 -3.940 -13.418 1.00 0.00 O ATOM 0 H GLY A 113 8.276 -1.612 -12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.450 -1.679 -14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.224 -3.080 -15.038 1.00 0.00 H new ATOM 1716 N ARG A 114 6.959 -3.678 -11.974 1.00 0.00 N ATOM 1717 CA ARG A 114 6.313 -4.394 -10.888 1.00 0.00 C ATOM 1718 C ARG A 114 5.240 -3.500 -10.290 1.00 0.00 C ATOM 1719 O ARG A 114 5.507 -2.721 -9.376 1.00 0.00 O ATOM 1720 CB ARG A 114 7.316 -4.781 -9.792 1.00 0.00 C ATOM 1721 CG ARG A 114 8.465 -5.670 -10.247 1.00 0.00 C ATOM 1722 CD ARG A 114 7.980 -7.014 -10.764 1.00 0.00 C ATOM 1723 NE ARG A 114 7.797 -7.011 -12.212 1.00 0.00 N ATOM 1724 CZ ARG A 114 6.998 -7.850 -12.866 1.00 0.00 C ATOM 1725 NH1 ARG A 114 6.225 -8.699 -12.196 1.00 0.00 N ATOM 1726 NH2 ARG A 114 6.953 -7.825 -14.191 1.00 0.00 N ATOM 0 H ARG A 114 7.913 -3.377 -11.772 1.00 0.00 H new ATOM 0 HA ARG A 114 5.880 -5.311 -11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.732 -3.869 -9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.778 -5.291 -8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 114 9.027 -5.162 -11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.151 -5.829 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.698 -7.787 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.037 -7.269 -10.280 1.00 0.00 H new ATOM 0 HE ARG A 114 8.315 -6.322 -12.757 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.243 -8.709 -11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.614 -9.340 -12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.531 -7.163 -14.709 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.341 -8.468 -14.693 1.00 0.00 H new ATOM 1740 N ARG A 115 4.040 -3.579 -10.845 1.00 0.00 N ATOM 1741 CA ARG A 115 2.953 -2.708 -10.426 1.00 0.00 C ATOM 1742 C ARG A 115 2.519 -3.018 -9.004 1.00 0.00 C ATOM 1743 O ARG A 115 1.854 -4.024 -8.730 1.00 0.00 O ATOM 1744 CB ARG A 115 1.788 -2.792 -11.409 1.00 0.00 C ATOM 1745 CG ARG A 115 2.114 -2.135 -12.740 1.00 0.00 C ATOM 1746 CD ARG A 115 0.948 -2.172 -13.709 1.00 0.00 C ATOM 1747 NE ARG A 115 1.208 -1.333 -14.876 1.00 0.00 N ATOM 1748 CZ ARG A 115 0.567 -1.432 -16.036 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -0.335 -2.388 -16.228 1.00 0.00 N ATOM 1750 NH2 ARG A 115 0.854 -0.580 -17.011 1.00 0.00 N ATOM 0 H ARG A 115 3.795 -4.236 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 115 3.314 -1.680 -10.431 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.529 -3.838 -11.575 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.912 -2.312 -10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 115 2.406 -1.099 -12.568 1.00 0.00 H new ATOM 0 HG3 ARG A 115 2.971 -2.637 -13.189 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.769 -3.199 -14.028 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.043 -1.831 -13.207 1.00 0.00 H new ATOM 0 HE ARG A 115 1.933 -0.620 -14.795 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.540 -3.053 -15.482 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.823 -2.457 -17.121 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.560 0.142 -16.866 1.00 0.00 H new ATOM 0 HH22 ARG A 115 0.369 -0.646 -17.906 1.00 0.00 H new ATOM 1764 N VAL A 116 2.933 -2.147 -8.105 1.00 0.00 N ATOM 1765 CA VAL A 116 2.679 -2.308 -6.694 1.00 0.00 C ATOM 1766 C VAL A 116 1.707 -1.247 -6.196 1.00 0.00 C ATOM 1767 O VAL A 116 1.804 -0.077 -6.563 1.00 0.00 O ATOM 1768 CB VAL A 116 3.999 -2.237 -5.885 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.790 -0.983 -6.232 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.728 -2.300 -4.391 1.00 0.00 C ATOM 0 H VAL A 116 3.458 -1.304 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 116 2.231 -3.291 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 116 4.600 -3.104 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.711 -0.961 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.033 -0.989 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.193 -0.101 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.671 -2.248 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.095 -1.461 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.223 -3.236 -4.152 1.00 0.00 H new ATOM 1780 N ALA A 117 0.753 -1.677 -5.391 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.152 -0.758 -4.735 1.00 0.00 C ATOM 1782 C ALA A 117 0.476 -0.286 -3.433 1.00 0.00 C ATOM 1783 O ALA A 117 0.617 -1.060 -2.487 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.496 -1.421 -4.476 1.00 0.00 C ATOM 0 H ALA A 117 0.586 -2.660 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.327 0.101 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.162 -0.713 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.936 -1.733 -5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.355 -2.293 -3.837 1.00 0.00 H new ATOM 1790 N LEU A 118 0.877 0.971 -3.402 1.00 0.00 N ATOM 1791 CA LEU A 118 1.541 1.522 -2.232 1.00 0.00 C ATOM 1792 C LEU A 118 0.513 2.053 -1.248 1.00 0.00 C ATOM 1793 O LEU A 118 0.042 3.185 -1.372 1.00 0.00 O ATOM 1794 CB LEU A 118 2.514 2.632 -2.640 1.00 0.00 C ATOM 1795 CG LEU A 118 3.349 3.222 -1.500 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.259 2.161 -0.901 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.160 4.409 -1.993 1.00 0.00 C ATOM 0 H LEU A 118 0.756 1.630 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 118 2.110 0.728 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.191 2.238 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.946 3.437 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 118 2.671 3.571 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.845 2.598 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.655 1.342 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.930 1.781 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.747 4.816 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.829 4.086 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.486 5.177 -2.372 1.00 0.00 H new ATOM 1809 N ALA A 119 0.139 1.221 -0.291 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.809 1.618 0.732 1.00 0.00 C ATOM 1811 C ALA A 119 -0.067 2.229 1.909 1.00 0.00 C ATOM 1812 O ALA A 119 0.417 1.519 2.786 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.642 0.428 1.178 1.00 0.00 C ATOM 0 H ALA A 119 0.480 0.264 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.486 2.365 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.348 0.745 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.190 0.027 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.987 -0.343 1.583 1.00 0.00 H new ATOM 1819 N MET A 120 0.042 3.546 1.908 1.00 0.00 N ATOM 1820 CA MET A 120 0.785 4.242 2.945 1.00 0.00 C ATOM 1821 C MET A 120 -0.142 4.723 4.043 1.00 0.00 C ATOM 1822 O MET A 120 -0.950 5.633 3.846 1.00 0.00 O ATOM 1823 CB MET A 120 1.565 5.422 2.369 1.00 0.00 C ATOM 1824 CG MET A 120 2.758 5.009 1.526 1.00 0.00 C ATOM 1825 SD MET A 120 3.727 6.418 0.954 1.00 0.00 S ATOM 1826 CE MET A 120 4.233 7.141 2.512 1.00 0.00 C ATOM 0 H MET A 120 -0.373 4.154 1.202 1.00 0.00 H new ATOM 0 HA MET A 120 1.495 3.533 3.370 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.894 6.028 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.910 6.053 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 120 3.397 4.346 2.109 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.409 4.439 0.665 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.255 7.510 2.427 1.00 0.00 H new ATOM 0 HE2 MET A 120 3.569 7.968 2.762 1.00 0.00 H new ATOM 0 HE3 MET A 120 4.184 6.386 3.297 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.029 4.089 5.193 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.777 4.496 6.359 1.00 0.00 C ATOM 1838 C ILE A 121 0.058 5.464 7.181 1.00 0.00 C ATOM 1839 O ILE A 121 0.963 5.057 7.915 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.176 3.281 7.224 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.062 2.327 6.414 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -1.891 3.737 8.488 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.413 1.048 7.146 1.00 0.00 C ATOM 0 H ILE A 121 0.579 3.284 5.342 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.693 4.985 6.027 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.272 2.749 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.983 2.844 6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.552 2.074 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.165 2.867 9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.230 4.382 9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.791 4.289 8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.041 0.425 6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.499 0.508 7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.952 1.289 8.062 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.206 6.747 7.004 1.00 0.00 N ATOM 1856 CA VAL A 122 0.470 7.772 7.775 1.00 0.00 C ATOM 1857 C VAL A 122 -0.408 8.184 8.946 1.00 0.00 C ATOM 1858 O VAL A 122 -1.586 8.489 8.769 1.00 0.00 O ATOM 1859 CB VAL A 122 0.802 9.010 6.911 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.606 10.028 7.709 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.554 8.601 5.652 1.00 0.00 C ATOM 0 H VAL A 122 -0.885 7.103 6.331 1.00 0.00 H new ATOM 0 HA VAL A 122 1.410 7.358 8.139 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.137 9.477 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.828 10.890 7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.028 10.350 8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.539 9.574 8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.778 9.487 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.484 8.105 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.939 7.918 5.067 1.00 0.00 H new ATOM 1871 N GLY A 123 0.156 8.157 10.139 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.594 8.525 11.317 1.00 0.00 C ATOM 1873 C GLY A 123 0.233 8.387 12.573 1.00 0.00 C ATOM 1874 O GLY A 123 1.420 8.067 12.506 1.00 0.00 O ATOM 0 H GLY A 123 1.124 7.886 10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.940 9.554 11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.481 7.896 11.395 1.00 0.00 H new