USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 CYS SG : rot 130:sc= -1.09 USER MOD Set 1.2: A 41 CYS SG : rot -31:sc= -1.02 USER MOD Set 1.3: A 65 HIS :FLIP no HD1:sc= -5.25! C(o=-19!,f=-13!) USER MOD Set 1.4: A 68 HIS : no HE2:sc= -5.92! C(o=-13!,f=-20!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -6.73! C(o=-13!,f=-16!) USER MOD Set 2.2: A 57 CYS SG : rot 60:sc= -0.548 USER MOD Set 2.3: A 60 CYS SG : rot -44:sc= -1.5 USER MOD Set 2.4: A 79 CYS SG : rot 98:sc= -4.17! USER MOD Set 3.1: A 22 HIS : no HD1:sc= -3.41 K(o=-9.6,f=-11!) USER MOD Set 3.2: A 69 MET CE :methyl -115:sc= -6.22 (180deg=-11.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= 0.112 (180deg=-0.00261) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 32 TYR OH : rot 165:sc= -0.508 USER MOD Single : A 33 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-2.6!) USER MOD Single : A 36 THR OG1 : rot 149:sc= 1.33 USER MOD Single : A 37 ASN : amide:sc= 0.311 K(o=0.31,f=-5.8!) USER MOD Single : A 42 MET CE :methyl 154:sc= -0.341 (180deg=-1.54!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc=-0.00628 X(o=-0.0063,f=-0.1) USER MOD Single : A 48 MET CE :methyl -164:sc= -0.319 (180deg=-0.946) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot -33:sc= -0.817 USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -1.34 (180deg=-1.51) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.036 -2.817 8.145 1.00 0.00 N ATOM 268 CA ASN A 18 5.988 -3.427 8.953 1.00 0.00 C ATOM 269 C ASN A 18 4.821 -3.870 8.077 1.00 0.00 C ATOM 270 O ASN A 18 4.801 -3.608 6.876 1.00 0.00 O ATOM 271 CB ASN A 18 5.502 -2.448 10.025 1.00 0.00 C ATOM 272 CG ASN A 18 5.841 -2.912 11.428 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.190 -3.804 11.972 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.863 -2.306 12.021 1.00 0.00 N ATOM 0 HA ASN A 18 6.404 -4.306 9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.951 -1.470 9.850 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.423 -2.324 9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.137 -2.575 12.966 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.374 -1.571 11.532 1.00 0.00 H new ATOM 281 N TYR A 19 3.850 -4.545 8.685 1.00 0.00 N ATOM 282 CA TYR A 19 2.682 -5.021 7.951 1.00 0.00 C ATOM 283 C TYR A 19 1.409 -4.854 8.776 1.00 0.00 C ATOM 284 O TYR A 19 1.255 -5.465 9.834 1.00 0.00 O ATOM 285 CB TYR A 19 2.851 -6.492 7.546 1.00 0.00 C ATOM 286 CG TYR A 19 4.251 -7.035 7.742 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.245 -6.802 6.801 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.574 -7.782 8.867 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.523 -7.299 6.975 1.00 0.00 C ATOM 290 CE2 TYR A 19 5.850 -8.280 9.049 1.00 0.00 C ATOM 291 CZ TYR A 19 6.821 -8.036 8.101 1.00 0.00 C ATOM 292 OH TYR A 19 8.092 -8.533 8.279 1.00 0.00 O ATOM 0 H TYR A 19 3.848 -4.774 9.679 1.00 0.00 H new ATOM 0 HA TYR A 19 2.594 -4.416 7.049 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.154 -7.098 8.125 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.575 -6.602 6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.016 -6.223 5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.816 -7.977 9.611 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.284 -7.111 6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.086 -8.858 9.930 1.00 0.00 H new ATOM 0 HH TYR A 19 8.134 -9.028 9.124 1.00 0.00 H new ATOM 302 N ILE A 20 0.502 -4.023 8.279 1.00 0.00 N ATOM 303 CA ILE A 20 -0.763 -3.768 8.952 1.00 0.00 C ATOM 304 C ILE A 20 -1.722 -4.941 8.769 1.00 0.00 C ATOM 305 O ILE A 20 -2.238 -5.172 7.674 1.00 0.00 O ATOM 306 CB ILE A 20 -1.424 -2.482 8.410 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.598 -1.255 8.801 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.854 -2.349 8.916 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.426 -0.859 7.760 1.00 0.00 C ATOM 0 H ILE A 20 0.622 -3.511 7.405 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.550 -3.642 10.014 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.457 -2.547 7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.270 -0.415 8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.088 -1.456 9.743 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.297 -1.435 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.438 -3.208 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.852 -2.309 10.005 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.974 0.018 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.122 -1.683 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.079 -0.626 6.823 1.00 0.00 H new ATOM 321 N CYS A 21 -1.962 -5.676 9.850 1.00 0.00 N ATOM 322 CA CYS A 21 -2.864 -6.818 9.815 1.00 0.00 C ATOM 323 C CYS A 21 -4.315 -6.354 9.864 1.00 0.00 C ATOM 324 O CYS A 21 -4.677 -5.507 10.682 1.00 0.00 O ATOM 325 CB CYS A 21 -2.577 -7.762 10.984 1.00 0.00 C ATOM 326 SG CYS A 21 -1.439 -9.109 10.583 1.00 0.00 S ATOM 0 H CYS A 21 -1.542 -5.499 10.763 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.699 -7.355 8.881 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.162 -7.184 11.810 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.518 -8.187 11.333 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.257 -9.851 11.635 1.00 0.00 H new ATOM 332 N HIS A 22 -5.140 -6.905 8.983 1.00 0.00 N ATOM 333 CA HIS A 22 -6.549 -6.536 8.928 1.00 0.00 C ATOM 334 C HIS A 22 -7.346 -7.533 8.092 1.00 0.00 C ATOM 335 O HIS A 22 -7.208 -7.580 6.873 1.00 0.00 O ATOM 336 CB HIS A 22 -6.704 -5.129 8.346 1.00 0.00 C ATOM 337 CG HIS A 22 -8.093 -4.584 8.464 1.00 0.00 C ATOM 338 ND1 HIS A 22 -9.023 -4.668 7.449 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.709 -3.941 9.484 1.00 0.00 C ATOM 340 CE1 HIS A 22 -10.151 -4.101 7.841 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.986 -3.654 9.072 1.00 0.00 N ATOM 0 H HIS A 22 -4.859 -7.607 8.298 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.941 -6.551 9.945 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.014 -4.456 8.855 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.417 -5.146 7.295 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.276 -3.699 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.054 -4.018 7.254 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.694 -3.173 9.627 1.00 0.00 H new ATOM 350 N LYS A 23 -8.192 -8.316 8.764 1.00 0.00 N ATOM 351 CA LYS A 23 -9.042 -9.315 8.108 1.00 0.00 C ATOM 352 C LYS A 23 -8.406 -9.895 6.844 1.00 0.00 C ATOM 353 O LYS A 23 -8.742 -9.494 5.731 1.00 0.00 O ATOM 354 CB LYS A 23 -10.403 -8.706 7.763 1.00 0.00 C ATOM 355 CG LYS A 23 -10.335 -7.237 7.374 1.00 0.00 C ATOM 356 CD LYS A 23 -11.445 -6.862 6.408 1.00 0.00 C ATOM 357 CE LYS A 23 -12.819 -7.140 6.995 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.856 -6.224 6.444 1.00 0.00 N ATOM 0 H LYS A 23 -8.308 -8.277 9.777 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.166 -10.134 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.846 -9.270 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.068 -8.815 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.407 -6.619 8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.368 -7.025 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.365 -5.805 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.325 -7.422 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.100 -8.173 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.779 -7.032 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.352 -5.751 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.402 -5.510 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.539 -6.771 5.881 1.00 0.00 H new ATOM 372 N GLY A 24 -7.501 -10.851 7.022 1.00 0.00 N ATOM 373 CA GLY A 24 -6.852 -11.480 5.882 1.00 0.00 C ATOM 374 C GLY A 24 -6.024 -10.521 5.049 1.00 0.00 C ATOM 375 O GLY A 24 -5.606 -10.867 3.945 1.00 0.00 O ATOM 0 H GLY A 24 -7.204 -11.202 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.210 -12.285 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.612 -11.936 5.248 1.00 0.00 H new ATOM 379 N HIS A 25 -5.778 -9.319 5.563 1.00 0.00 N ATOM 380 CA HIS A 25 -4.991 -8.337 4.826 1.00 0.00 C ATOM 381 C HIS A 25 -3.789 -7.855 5.628 1.00 0.00 C ATOM 382 O HIS A 25 -3.905 -7.508 6.802 1.00 0.00 O ATOM 383 CB HIS A 25 -5.865 -7.148 4.404 1.00 0.00 C ATOM 384 CG HIS A 25 -5.960 -7.010 2.921 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.909 -6.262 2.255 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.203 -7.587 1.968 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.695 -6.417 0.936 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.667 -7.216 0.724 1.00 0.00 N ATOM 0 H HIS A 25 -6.108 -9.005 6.476 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.613 -8.831 3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.865 -7.270 4.820 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.454 -6.231 4.826 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.362 -8.240 2.150 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.283 -5.952 0.159 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.291 -7.502 -0.180 1.00 0.00 H new ATOM 396 N GLU A 26 -2.630 -7.827 4.972 1.00 0.00 N ATOM 397 CA GLU A 26 -1.398 -7.379 5.605 1.00 0.00 C ATOM 398 C GLU A 26 -0.795 -6.218 4.823 1.00 0.00 C ATOM 399 O GLU A 26 0.227 -6.368 4.152 1.00 0.00 O ATOM 400 CB GLU A 26 -0.394 -8.531 5.696 1.00 0.00 C ATOM 401 CG GLU A 26 -0.485 -9.317 6.994 1.00 0.00 C ATOM 402 CD GLU A 26 -0.376 -10.814 6.776 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.131 -11.224 5.712 1.00 0.00 O ATOM 404 OE2 GLU A 26 -0.798 -11.575 7.671 1.00 0.00 O ATOM 0 H GLU A 26 -2.522 -8.111 3.998 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.631 -7.040 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.555 -9.209 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.615 -8.132 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.308 -8.993 7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.432 -9.093 7.485 1.00 0.00 H new ATOM 411 N PHE A 27 -1.441 -5.062 4.911 1.00 0.00 N ATOM 412 CA PHE A 27 -0.980 -3.871 4.210 1.00 0.00 C ATOM 413 C PHE A 27 0.416 -3.477 4.670 1.00 0.00 C ATOM 414 O PHE A 27 0.870 -3.894 5.730 1.00 0.00 O ATOM 415 CB PHE A 27 -1.954 -2.710 4.415 1.00 0.00 C ATOM 416 CG PHE A 27 -3.400 -3.116 4.350 1.00 0.00 C ATOM 417 CD1 PHE A 27 -3.965 -3.521 3.152 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.191 -3.096 5.486 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.295 -3.896 3.087 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.521 -3.468 5.428 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.073 -3.869 4.228 1.00 0.00 C ATOM 0 H PHE A 27 -2.288 -4.924 5.463 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.938 -4.104 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.758 -2.250 5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.765 -1.950 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.360 -3.544 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.764 -2.786 6.428 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.724 -4.209 2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.128 -3.445 6.321 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.112 -4.161 4.181 1.00 0.00 H new ATOM 431 N ILE A 28 1.099 -2.687 3.854 1.00 0.00 N ATOM 432 CA ILE A 28 2.451 -2.252 4.173 1.00 0.00 C ATOM 433 C ILE A 28 2.572 -0.735 4.107 1.00 0.00 C ATOM 434 O ILE A 28 2.152 -0.113 3.132 1.00 0.00 O ATOM 435 CB ILE A 28 3.480 -2.878 3.215 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.152 -4.360 2.976 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.891 -2.706 3.762 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.635 -5.283 4.076 1.00 0.00 C ATOM 0 H ILE A 28 0.739 -2.334 2.967 1.00 0.00 H new ATOM 0 HA ILE A 28 2.659 -2.586 5.190 1.00 0.00 H new ATOM 0 HB ILE A 28 3.429 -2.362 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.073 -4.470 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.598 -4.673 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.606 -3.154 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.111 -1.644 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.967 -3.196 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.365 -6.311 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.718 -5.204 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.170 -4.999 5.020 1.00 0.00 H new ATOM 450 N PRO A 29 3.154 -0.118 5.146 1.00 0.00 N ATOM 451 CA PRO A 29 3.330 1.334 5.201 1.00 0.00 C ATOM 452 C PRO A 29 4.362 1.823 4.202 1.00 0.00 C ATOM 453 O PRO A 29 5.555 1.569 4.355 1.00 0.00 O ATOM 454 CB PRO A 29 3.816 1.583 6.627 1.00 0.00 C ATOM 455 CG PRO A 29 4.453 0.303 7.043 1.00 0.00 C ATOM 456 CD PRO A 29 3.690 -0.787 6.347 1.00 0.00 C ATOM 0 HA PRO A 29 2.411 1.864 4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.527 2.408 6.664 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.989 1.845 7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.506 0.282 6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.409 0.180 8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.336 -1.625 6.085 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.893 -1.183 6.976 1.00 0.00 H new ATOM 464 N THR A 30 3.897 2.529 3.180 1.00 0.00 N ATOM 465 CA THR A 30 4.787 3.053 2.158 1.00 0.00 C ATOM 466 C THR A 30 4.191 4.293 1.500 1.00 0.00 C ATOM 467 O THR A 30 3.034 4.637 1.736 1.00 0.00 O ATOM 468 CB THR A 30 5.063 1.983 1.102 1.00 0.00 C ATOM 469 OG1 THR A 30 5.913 2.485 0.085 1.00 0.00 O ATOM 470 CG2 THR A 30 3.804 1.464 0.441 1.00 0.00 C ATOM 0 H THR A 30 2.911 2.750 3.039 1.00 0.00 H new ATOM 0 HA THR A 30 5.725 3.335 2.636 1.00 0.00 H new ATOM 0 HB THR A 30 5.539 1.162 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.078 1.784 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.067 0.707 -0.298 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.152 1.023 1.195 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.285 2.287 -0.051 1.00 0.00 H new ATOM 478 N LEU A 31 4.989 4.959 0.671 1.00 0.00 N ATOM 479 CA LEU A 31 4.540 6.159 -0.023 1.00 0.00 C ATOM 480 C LEU A 31 4.476 5.923 -1.529 1.00 0.00 C ATOM 481 O LEU A 31 5.150 5.038 -2.057 1.00 0.00 O ATOM 482 CB LEU A 31 5.477 7.329 0.282 1.00 0.00 C ATOM 483 CG LEU A 31 5.574 7.712 1.760 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.412 8.972 1.932 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.185 7.909 2.353 1.00 0.00 C ATOM 0 H LEU A 31 5.950 4.687 0.464 1.00 0.00 H new ATOM 0 HA LEU A 31 3.538 6.402 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.475 7.079 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.142 8.200 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 31 6.064 6.898 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.470 9.229 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.416 8.797 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.951 9.793 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.274 8.181 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.669 8.704 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.617 6.983 2.264 1.00 0.00 H new ATOM 497 N TYR A 32 3.662 6.718 -2.215 1.00 0.00 N ATOM 498 CA TYR A 32 3.512 6.594 -3.660 1.00 0.00 C ATOM 499 C TYR A 32 3.570 7.962 -4.333 1.00 0.00 C ATOM 500 O TYR A 32 2.632 8.754 -4.234 1.00 0.00 O ATOM 501 CB TYR A 32 2.195 5.893 -4.001 1.00 0.00 C ATOM 502 CG TYR A 32 2.370 4.444 -4.400 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.741 4.102 -5.694 1.00 0.00 C ATOM 504 CD2 TYR A 32 2.169 3.422 -3.482 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.904 2.779 -6.062 1.00 0.00 C ATOM 506 CE2 TYR A 32 2.331 2.097 -3.842 1.00 0.00 C ATOM 507 CZ TYR A 32 2.700 1.781 -5.133 1.00 0.00 C ATOM 508 OH TYR A 32 2.862 0.465 -5.496 1.00 0.00 O ATOM 0 H TYR A 32 3.096 7.455 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 32 4.339 5.992 -4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.530 5.947 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.707 6.430 -4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.905 4.881 -6.424 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.881 3.666 -2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.190 2.529 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.170 1.314 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 32 2.917 -0.092 -4.691 1.00 0.00 H new ATOM 518 N HIS A 33 4.677 8.232 -5.016 1.00 0.00 N ATOM 519 CA HIS A 33 4.863 9.504 -5.706 1.00 0.00 C ATOM 520 C HIS A 33 4.132 9.520 -7.046 1.00 0.00 C ATOM 521 O HIS A 33 3.884 10.584 -7.613 1.00 0.00 O ATOM 522 CB HIS A 33 6.353 9.776 -5.924 1.00 0.00 C ATOM 523 CG HIS A 33 7.073 10.199 -4.681 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.348 11.517 -4.382 1.00 0.00 N ATOM 525 CD2 HIS A 33 7.577 9.469 -3.658 1.00 0.00 C ATOM 526 CE1 HIS A 33 7.990 11.579 -3.228 1.00 0.00 C ATOM 527 NE2 HIS A 33 8.141 10.351 -2.769 1.00 0.00 N ATOM 0 H HIS A 33 5.461 7.586 -5.107 1.00 0.00 H new ATOM 0 HA HIS A 33 4.441 10.289 -5.078 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.824 8.876 -6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.465 10.552 -6.681 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.542 8.394 -3.560 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.333 12.481 -2.743 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.602 10.098 -1.895 1.00 0.00 H new ATOM 536 N PHE A 34 3.790 8.337 -7.552 1.00 0.00 N ATOM 537 CA PHE A 34 3.090 8.229 -8.827 1.00 0.00 C ATOM 538 C PHE A 34 1.593 8.024 -8.607 1.00 0.00 C ATOM 539 O PHE A 34 1.149 7.787 -7.485 1.00 0.00 O ATOM 540 CB PHE A 34 3.657 7.076 -9.658 1.00 0.00 C ATOM 541 CG PHE A 34 5.149 6.927 -9.548 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.994 7.849 -10.145 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.703 5.869 -8.849 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.367 7.715 -10.046 1.00 0.00 C ATOM 545 CE2 PHE A 34 7.075 5.731 -8.745 1.00 0.00 C ATOM 546 CZ PHE A 34 7.907 6.655 -9.346 1.00 0.00 C ATOM 0 H PHE A 34 3.986 7.444 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 34 3.239 9.161 -9.372 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.184 6.146 -9.343 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.392 7.230 -10.704 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.576 8.681 -10.693 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.056 5.143 -8.379 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.016 8.439 -10.516 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.495 4.902 -8.195 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.979 6.548 -9.268 1.00 0.00 H new ATOM 556 N PRO A 35 0.795 8.116 -9.684 1.00 0.00 N ATOM 557 CA PRO A 35 -0.661 7.944 -9.610 1.00 0.00 C ATOM 558 C PRO A 35 -1.063 6.527 -9.216 1.00 0.00 C ATOM 559 O PRO A 35 -0.933 5.593 -10.006 1.00 0.00 O ATOM 560 CB PRO A 35 -1.141 8.256 -11.035 1.00 0.00 C ATOM 561 CG PRO A 35 0.003 8.950 -11.695 1.00 0.00 C ATOM 562 CD PRO A 35 1.240 8.398 -11.055 1.00 0.00 C ATOM 0 HA PRO A 35 -1.101 8.588 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.408 7.344 -11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.029 8.888 -11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.004 8.767 -12.770 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.061 10.029 -11.555 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.590 7.498 -11.560 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.061 9.115 -11.075 1.00 0.00 H new ATOM 570 N THR A 36 -1.561 6.377 -7.992 1.00 0.00 N ATOM 571 CA THR A 36 -1.993 5.076 -7.496 1.00 0.00 C ATOM 572 C THR A 36 -3.447 5.148 -7.033 1.00 0.00 C ATOM 573 O THR A 36 -3.868 6.133 -6.428 1.00 0.00 O ATOM 574 CB THR A 36 -1.079 4.612 -6.354 1.00 0.00 C ATOM 575 OG1 THR A 36 0.170 4.179 -6.863 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.655 3.476 -5.533 1.00 0.00 C ATOM 0 H THR A 36 -1.675 7.141 -7.326 1.00 0.00 H new ATOM 0 HA THR A 36 -1.925 4.348 -8.304 1.00 0.00 H new ATOM 0 HB THR A 36 -0.970 5.481 -5.705 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.873 4.363 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.952 3.203 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.597 3.792 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.831 2.614 -6.177 1.00 0.00 H new ATOM 584 N ASN A 37 -4.212 4.104 -7.331 1.00 0.00 N ATOM 585 CA ASN A 37 -5.621 4.058 -6.954 1.00 0.00 C ATOM 586 C ASN A 37 -5.822 3.271 -5.664 1.00 0.00 C ATOM 587 O ASN A 37 -5.151 2.267 -5.424 1.00 0.00 O ATOM 588 CB ASN A 37 -6.449 3.432 -8.079 1.00 0.00 C ATOM 589 CG ASN A 37 -6.027 2.009 -8.384 1.00 0.00 C ATOM 590 OD1 ASN A 37 -4.927 1.585 -8.029 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.903 1.260 -9.044 1.00 0.00 N ATOM 0 H ASN A 37 -3.882 3.279 -7.832 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.956 5.081 -6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.503 3.444 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.350 4.038 -8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.675 0.293 -9.276 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.804 1.652 -9.319 1.00 0.00 H new ATOM 598 N CYS A 38 -6.757 3.733 -4.840 1.00 0.00 N ATOM 599 CA CYS A 38 -7.058 3.074 -3.573 1.00 0.00 C ATOM 600 C CYS A 38 -8.171 2.044 -3.763 1.00 0.00 C ATOM 601 O CYS A 38 -9.038 2.203 -4.623 1.00 0.00 O ATOM 602 CB CYS A 38 -7.446 4.117 -2.515 1.00 0.00 C ATOM 603 SG CYS A 38 -8.598 3.525 -1.227 1.00 0.00 S ATOM 0 H CYS A 38 -7.320 4.562 -5.027 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.168 2.549 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.538 4.475 -2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.897 4.972 -3.019 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.129 3.828 -0.053 1.00 0.00 H new ATOM 608 N GLU A 39 -8.136 0.984 -2.961 1.00 0.00 N ATOM 609 CA GLU A 39 -9.136 -0.074 -3.045 1.00 0.00 C ATOM 610 C GLU A 39 -10.353 0.247 -2.181 1.00 0.00 C ATOM 611 O GLU A 39 -11.491 0.005 -2.583 1.00 0.00 O ATOM 612 CB GLU A 39 -8.528 -1.412 -2.616 1.00 0.00 C ATOM 613 CG GLU A 39 -8.818 -2.550 -3.582 1.00 0.00 C ATOM 614 CD GLU A 39 -10.263 -3.005 -3.526 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.809 -3.113 -2.408 1.00 0.00 O ATOM 616 OE2 GLU A 39 -10.849 -3.256 -4.602 1.00 0.00 O ATOM 0 H GLU A 39 -7.425 0.835 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.464 -0.145 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.449 -1.296 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.911 -1.676 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.580 -2.231 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.166 -3.393 -3.352 1.00 0.00 H new ATOM 623 N ALA A 40 -10.106 0.786 -0.990 1.00 0.00 N ATOM 624 CA ALA A 40 -11.184 1.132 -0.070 1.00 0.00 C ATOM 625 C ALA A 40 -12.206 2.054 -0.733 1.00 0.00 C ATOM 626 O ALA A 40 -13.237 1.596 -1.228 1.00 0.00 O ATOM 627 CB ALA A 40 -10.615 1.776 1.188 1.00 0.00 C ATOM 0 H ALA A 40 -9.170 0.992 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.700 0.213 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.429 2.030 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.937 1.078 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.071 2.682 0.919 1.00 0.00 H new ATOM 633 N CYS A 41 -11.919 3.352 -0.737 1.00 0.00 N ATOM 634 CA CYS A 41 -12.816 4.332 -1.337 1.00 0.00 C ATOM 635 C CYS A 41 -12.571 4.444 -2.841 1.00 0.00 C ATOM 636 O CYS A 41 -11.907 3.595 -3.436 1.00 0.00 O ATOM 637 CB CYS A 41 -12.636 5.697 -0.667 1.00 0.00 C ATOM 638 SG CYS A 41 -11.067 6.533 -1.071 1.00 0.00 S ATOM 0 H CYS A 41 -11.072 3.749 -0.331 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.841 3.996 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.464 6.343 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.698 5.569 0.414 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.144 5.643 -1.285 1.00 0.00 H new ATOM 643 N MET A 42 -13.115 5.493 -3.448 1.00 0.00 N ATOM 644 CA MET A 42 -12.958 5.714 -4.881 1.00 0.00 C ATOM 645 C MET A 42 -11.915 6.794 -5.163 1.00 0.00 C ATOM 646 O MET A 42 -11.327 6.831 -6.244 1.00 0.00 O ATOM 647 CB MET A 42 -14.297 6.107 -5.507 1.00 0.00 C ATOM 648 CG MET A 42 -15.305 4.972 -5.552 1.00 0.00 C ATOM 649 SD MET A 42 -15.338 4.135 -7.150 1.00 0.00 S ATOM 650 CE MET A 42 -13.860 3.129 -7.036 1.00 0.00 C ATOM 0 H MET A 42 -13.669 6.204 -2.970 1.00 0.00 H new ATOM 0 HA MET A 42 -12.613 4.781 -5.327 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.722 6.937 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.123 6.467 -6.521 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.067 4.249 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.298 5.364 -5.331 1.00 0.00 H new ATOM 0 HE1 MET A 42 -13.965 2.254 -7.677 1.00 0.00 H new ATOM 0 HE2 MET A 42 -12.997 3.712 -7.357 1.00 0.00 H new ATOM 0 HE3 MET A 42 -13.717 2.808 -6.004 1.00 0.00 H new ATOM 660 N LYS A 43 -11.693 7.672 -4.190 1.00 0.00 N ATOM 661 CA LYS A 43 -10.722 8.753 -4.339 1.00 0.00 C ATOM 662 C LYS A 43 -9.353 8.210 -4.746 1.00 0.00 C ATOM 663 O LYS A 43 -9.041 7.045 -4.508 1.00 0.00 O ATOM 664 CB LYS A 43 -10.604 9.545 -3.033 1.00 0.00 C ATOM 665 CG LYS A 43 -11.379 10.852 -3.043 1.00 0.00 C ATOM 666 CD LYS A 43 -12.839 10.637 -2.674 1.00 0.00 C ATOM 667 CE LYS A 43 -13.019 10.511 -1.171 1.00 0.00 C ATOM 668 NZ LYS A 43 -14.448 10.638 -0.771 1.00 0.00 N ATOM 0 H LYS A 43 -12.172 7.657 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.076 9.416 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.961 8.927 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.552 9.757 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.924 11.551 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.316 11.306 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.436 11.470 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.210 9.736 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.633 9.547 -0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.432 11.280 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.529 10.546 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.810 11.568 -1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.005 9.889 -1.230 1.00 0.00 H new ATOM 682 N PRO A 44 -8.516 9.056 -5.372 1.00 0.00 N ATOM 683 CA PRO A 44 -7.175 8.659 -5.815 1.00 0.00 C ATOM 684 C PRO A 44 -6.209 8.470 -4.650 1.00 0.00 C ATOM 685 O PRO A 44 -6.553 8.729 -3.497 1.00 0.00 O ATOM 686 CB PRO A 44 -6.731 9.832 -6.693 1.00 0.00 C ATOM 687 CG PRO A 44 -7.487 11.003 -6.169 1.00 0.00 C ATOM 688 CD PRO A 44 -8.810 10.467 -5.696 1.00 0.00 C ATOM 0 HA PRO A 44 -7.185 7.700 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.655 9.993 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.960 9.650 -7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.946 11.482 -5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.626 11.756 -6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.175 11.011 -4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.576 10.550 -6.467 1.00 0.00 H new ATOM 696 N LEU A 45 -5.000 8.015 -4.961 1.00 0.00 N ATOM 697 CA LEU A 45 -3.982 7.789 -3.940 1.00 0.00 C ATOM 698 C LEU A 45 -2.586 8.071 -4.493 1.00 0.00 C ATOM 699 O LEU A 45 -2.017 7.251 -5.213 1.00 0.00 O ATOM 700 CB LEU A 45 -4.063 6.349 -3.422 1.00 0.00 C ATOM 701 CG LEU A 45 -2.973 5.951 -2.425 1.00 0.00 C ATOM 702 CD1 LEU A 45 -2.989 6.872 -1.217 1.00 0.00 C ATOM 703 CD2 LEU A 45 -3.151 4.504 -1.990 1.00 0.00 C ATOM 0 H LEU A 45 -4.701 7.795 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.169 8.475 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.035 6.204 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.018 5.671 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.006 6.048 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.206 6.572 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.814 7.898 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.959 6.808 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.367 4.238 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.125 4.384 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.089 3.852 -2.861 1.00 0.00 H new ATOM 715 N TRP A 46 -2.040 9.237 -4.150 1.00 0.00 N ATOM 716 CA TRP A 46 -0.707 9.635 -4.605 1.00 0.00 C ATOM 717 C TRP A 46 -0.413 11.084 -4.231 1.00 0.00 C ATOM 718 O TRP A 46 -1.231 11.753 -3.601 1.00 0.00 O ATOM 719 CB TRP A 46 -0.574 9.460 -6.120 1.00 0.00 C ATOM 720 CG TRP A 46 -1.626 10.187 -6.899 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.911 9.780 -7.120 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.485 11.448 -7.564 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.577 10.711 -7.879 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.722 11.744 -8.165 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.432 12.356 -7.708 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -2.935 12.910 -8.898 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.643 13.512 -8.437 1.00 0.00 C ATOM 728 CH2 TRP A 46 -1.887 13.780 -9.022 1.00 0.00 C ATOM 0 H TRP A 46 -2.502 9.926 -3.556 1.00 0.00 H new ATOM 0 HA TRP A 46 0.016 8.989 -4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.408 9.813 -6.434 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.623 8.398 -6.361 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.341 8.860 -6.752 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.549 10.645 -8.181 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.530 12.158 -7.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.893 13.119 -9.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.164 14.219 -8.557 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.022 14.693 -9.583 1.00 0.00 H new ATOM 739 N HIS A 47 0.762 11.561 -4.631 1.00 0.00 N ATOM 740 CA HIS A 47 1.173 12.931 -4.346 1.00 0.00 C ATOM 741 C HIS A 47 2.543 13.220 -4.954 1.00 0.00 C ATOM 742 O HIS A 47 3.403 12.341 -5.017 1.00 0.00 O ATOM 743 CB HIS A 47 1.206 13.176 -2.836 1.00 0.00 C ATOM 744 CG HIS A 47 0.499 14.428 -2.419 1.00 0.00 C ATOM 745 ND1 HIS A 47 0.902 15.687 -2.812 1.00 0.00 N ATOM 746 CD2 HIS A 47 -0.592 14.613 -1.638 1.00 0.00 C ATOM 747 CE1 HIS A 47 0.090 16.590 -2.291 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.825 15.964 -1.575 1.00 0.00 N ATOM 0 H HIS A 47 1.448 11.017 -5.155 1.00 0.00 H new ATOM 0 HA HIS A 47 0.444 13.606 -4.796 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.752 12.325 -2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.244 13.227 -2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.171 13.840 -1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.163 17.659 -2.428 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.582 16.412 -1.059 1.00 0.00 H new ATOM 757 N MET A 48 2.739 14.455 -5.405 1.00 0.00 N ATOM 758 CA MET A 48 4.003 14.854 -6.011 1.00 0.00 C ATOM 759 C MET A 48 4.919 15.517 -4.985 1.00 0.00 C ATOM 760 O MET A 48 6.122 15.261 -4.959 1.00 0.00 O ATOM 761 CB MET A 48 3.753 15.810 -7.179 1.00 0.00 C ATOM 762 CG MET A 48 2.655 15.343 -8.121 1.00 0.00 C ATOM 763 SD MET A 48 1.387 16.600 -8.394 1.00 0.00 S ATOM 764 CE MET A 48 0.496 16.521 -6.843 1.00 0.00 C ATOM 0 H MET A 48 2.039 15.196 -5.362 1.00 0.00 H new ATOM 0 HA MET A 48 4.496 13.955 -6.382 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.489 16.791 -6.785 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.678 15.931 -7.743 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.097 15.065 -9.078 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.189 14.446 -7.713 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.469 17.016 -6.952 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.340 15.478 -6.566 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.074 17.020 -6.065 1.00 0.00 H new ATOM 774 N PHE A 49 4.342 16.371 -4.147 1.00 0.00 N ATOM 775 CA PHE A 49 5.109 17.071 -3.124 1.00 0.00 C ATOM 776 C PHE A 49 5.316 16.194 -1.894 1.00 0.00 C ATOM 777 O PHE A 49 6.395 15.635 -1.693 1.00 0.00 O ATOM 778 CB PHE A 49 4.403 18.370 -2.728 1.00 0.00 C ATOM 779 CG PHE A 49 4.498 19.445 -3.773 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.732 19.934 -4.174 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.354 19.969 -4.353 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.821 20.924 -5.134 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.436 20.958 -5.314 1.00 0.00 C ATOM 784 CZ PHE A 49 4.672 21.436 -5.704 1.00 0.00 C ATOM 0 H PHE A 49 3.347 16.595 -4.156 1.00 0.00 H new ATOM 0 HA PHE A 49 6.087 17.308 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.352 18.158 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.834 18.740 -1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.633 19.537 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.386 19.599 -4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.788 21.297 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.536 21.356 -5.759 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.740 22.210 -6.454 1.00 0.00 H new ATOM 794 N LYS A 50 4.278 16.079 -1.071 1.00 0.00 N ATOM 795 CA LYS A 50 4.352 15.271 0.142 1.00 0.00 C ATOM 796 C LYS A 50 3.435 14.053 0.047 1.00 0.00 C ATOM 797 O LYS A 50 2.241 14.143 0.337 1.00 0.00 O ATOM 798 CB LYS A 50 3.970 16.114 1.360 1.00 0.00 C ATOM 799 CG LYS A 50 5.087 17.024 1.844 1.00 0.00 C ATOM 800 CD LYS A 50 6.129 16.253 2.638 1.00 0.00 C ATOM 801 CE LYS A 50 6.563 17.017 3.880 1.00 0.00 C ATOM 802 NZ LYS A 50 7.975 16.723 4.248 1.00 0.00 N ATOM 0 H LYS A 50 3.378 16.534 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 50 5.378 14.921 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.099 16.721 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.675 15.450 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.562 17.505 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.669 17.817 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.722 15.284 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.997 16.058 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.448 18.087 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.909 16.757 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.232 17.263 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.080 15.706 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.602 16.994 3.464 1.00 0.00 H new ATOM 816 N PRO A 51 3.979 12.893 -0.359 1.00 0.00 N ATOM 817 CA PRO A 51 3.198 11.659 -0.485 1.00 0.00 C ATOM 818 C PRO A 51 2.703 11.150 0.868 1.00 0.00 C ATOM 819 O PRO A 51 3.498 10.913 1.778 1.00 0.00 O ATOM 820 CB PRO A 51 4.186 10.664 -1.100 1.00 0.00 C ATOM 821 CG PRO A 51 5.532 11.194 -0.747 1.00 0.00 C ATOM 822 CD PRO A 51 5.395 12.688 -0.724 1.00 0.00 C ATOM 0 HA PRO A 51 2.300 11.807 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.038 9.661 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.058 10.597 -2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.858 10.817 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.278 10.882 -1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.068 13.143 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.629 13.128 -1.693 1.00 0.00 H new ATOM 830 N PRO A 52 1.379 10.977 1.020 1.00 0.00 N ATOM 831 CA PRO A 52 0.785 10.497 2.271 1.00 0.00 C ATOM 832 C PRO A 52 1.116 9.031 2.545 1.00 0.00 C ATOM 833 O PRO A 52 1.382 8.265 1.619 1.00 0.00 O ATOM 834 CB PRO A 52 -0.719 10.672 2.042 1.00 0.00 C ATOM 835 CG PRO A 52 -0.886 10.623 0.565 1.00 0.00 C ATOM 836 CD PRO A 52 0.358 11.236 -0.013 1.00 0.00 C ATOM 0 HA PRO A 52 1.163 11.041 3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.288 9.882 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.074 11.619 2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.012 9.597 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.773 11.174 0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.626 10.779 -0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.233 12.303 -0.195 1.00 0.00 H new ATOM 844 N PRO A 53 1.101 8.622 3.825 1.00 0.00 N ATOM 845 CA PRO A 53 1.399 7.239 4.215 1.00 0.00 C ATOM 846 C PRO A 53 0.374 6.253 3.665 1.00 0.00 C ATOM 847 O PRO A 53 -0.660 6.012 4.284 1.00 0.00 O ATOM 848 CB PRO A 53 1.343 7.273 5.746 1.00 0.00 C ATOM 849 CG PRO A 53 0.517 8.469 6.075 1.00 0.00 C ATOM 850 CD PRO A 53 0.790 9.469 4.989 1.00 0.00 C ATOM 0 HA PRO A 53 2.359 6.904 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.896 6.363 6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.342 7.352 6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.542 8.214 6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.784 8.871 7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.073 10.108 4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.623 10.124 5.245 1.00 0.00 H new ATOM 858 N ALA A 54 0.671 5.687 2.501 1.00 0.00 N ATOM 859 CA ALA A 54 -0.224 4.728 1.866 1.00 0.00 C ATOM 860 C ALA A 54 0.106 3.303 2.292 1.00 0.00 C ATOM 861 O ALA A 54 1.265 2.968 2.529 1.00 0.00 O ATOM 862 CB ALA A 54 -0.151 4.860 0.351 1.00 0.00 C ATOM 0 H ALA A 54 1.526 5.876 1.978 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.241 4.949 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.825 4.138 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.445 5.868 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.869 4.669 0.018 1.00 0.00 H new ATOM 868 N LEU A 55 -0.922 2.466 2.390 1.00 0.00 N ATOM 869 CA LEU A 55 -0.736 1.076 2.789 1.00 0.00 C ATOM 870 C LEU A 55 -0.922 0.136 1.603 1.00 0.00 C ATOM 871 O LEU A 55 -2.029 -0.022 1.092 1.00 0.00 O ATOM 872 CB LEU A 55 -1.712 0.708 3.908 1.00 0.00 C ATOM 873 CG LEU A 55 -1.748 1.686 5.083 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.662 1.161 6.180 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.345 1.923 5.622 1.00 0.00 C ATOM 0 H LEU A 55 -1.890 2.725 2.199 1.00 0.00 H new ATOM 0 HA LEU A 55 0.284 0.965 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.714 0.634 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.452 -0.281 4.286 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.144 2.638 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.678 1.868 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.671 1.041 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.293 0.197 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.389 2.621 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.079 0.978 5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.282 2.340 4.834 1.00 0.00 H new ATOM 887 N GLU A 56 0.172 -0.483 1.171 1.00 0.00 N ATOM 888 CA GLU A 56 0.138 -1.407 0.042 1.00 0.00 C ATOM 889 C GLU A 56 0.110 -2.855 0.518 1.00 0.00 C ATOM 890 O GLU A 56 0.909 -3.257 1.362 1.00 0.00 O ATOM 891 CB GLU A 56 1.352 -1.182 -0.861 1.00 0.00 C ATOM 892 CG GLU A 56 1.266 -1.917 -2.190 1.00 0.00 C ATOM 893 CD GLU A 56 2.607 -2.456 -2.646 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.453 -2.753 -1.776 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.811 -2.581 -3.871 1.00 0.00 O ATOM 0 H GLU A 56 1.095 -0.361 1.587 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.773 -1.213 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.460 -0.114 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.251 -1.504 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.559 -2.742 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.873 -1.242 -2.950 1.00 0.00 H new ATOM 902 N CYS A 57 -0.812 -3.638 -0.035 1.00 0.00 N ATOM 903 CA CYS A 57 -0.938 -5.044 0.331 1.00 0.00 C ATOM 904 C CYS A 57 0.231 -5.849 -0.228 1.00 0.00 C ATOM 905 O CYS A 57 0.639 -5.655 -1.372 1.00 0.00 O ATOM 906 CB CYS A 57 -2.264 -5.611 -0.186 1.00 0.00 C ATOM 907 SG CYS A 57 -2.479 -7.399 0.099 1.00 0.00 S ATOM 0 H CYS A 57 -1.481 -3.323 -0.737 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.923 -5.120 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.085 -5.078 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.337 -5.414 -1.256 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.432 -7.644 1.375 1.00 0.00 H new ATOM 912 N ARG A 58 0.762 -6.755 0.586 1.00 0.00 N ATOM 913 CA ARG A 58 1.882 -7.590 0.170 1.00 0.00 C ATOM 914 C ARG A 58 1.392 -8.952 -0.314 1.00 0.00 C ATOM 915 O ARG A 58 2.081 -9.962 -0.168 1.00 0.00 O ATOM 916 CB ARG A 58 2.870 -7.762 1.327 1.00 0.00 C ATOM 917 CG ARG A 58 2.281 -8.487 2.527 1.00 0.00 C ATOM 918 CD ARG A 58 3.312 -8.672 3.631 1.00 0.00 C ATOM 919 NE ARG A 58 3.743 -10.063 3.749 1.00 0.00 N ATOM 920 CZ ARG A 58 4.768 -10.586 3.077 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.475 -9.839 2.237 1.00 0.00 N ATOM 922 NH2 ARG A 58 5.089 -11.861 3.246 1.00 0.00 N ATOM 0 H ARG A 58 0.435 -6.929 1.536 1.00 0.00 H new ATOM 0 HA ARG A 58 2.390 -7.096 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.741 -8.313 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.221 -6.780 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.431 -7.923 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.902 -9.460 2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.177 -8.040 3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.890 -8.341 4.580 1.00 0.00 H new ATOM 0 HE ARG A 58 3.227 -10.671 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.235 -8.857 2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.258 -10.247 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.552 -12.441 3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.873 -12.262 2.732 1.00 0.00 H new ATOM 936 N ARG A 59 0.194 -8.968 -0.896 1.00 0.00 N ATOM 937 CA ARG A 59 -0.399 -10.199 -1.408 1.00 0.00 C ATOM 938 C ARG A 59 -1.033 -9.968 -2.781 1.00 0.00 C ATOM 939 O ARG A 59 -0.476 -10.363 -3.805 1.00 0.00 O ATOM 940 CB ARG A 59 -1.444 -10.736 -0.427 1.00 0.00 C ATOM 941 CG ARG A 59 -0.891 -11.008 0.964 1.00 0.00 C ATOM 942 CD ARG A 59 -1.743 -10.358 2.042 1.00 0.00 C ATOM 943 NE ARG A 59 -1.772 -11.150 3.269 1.00 0.00 N ATOM 944 CZ ARG A 59 -2.553 -12.213 3.449 1.00 0.00 C ATOM 945 NH1 ARG A 59 -3.369 -12.618 2.484 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.514 -12.875 4.597 1.00 0.00 N ATOM 0 H ARG A 59 -0.386 -8.139 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 59 0.394 -10.938 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.261 -10.018 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.866 -11.658 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.846 -12.084 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.130 -10.632 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.354 -9.364 2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.760 -10.227 1.671 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.157 -10.872 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.400 -12.114 1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.965 -13.433 2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.886 -12.570 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.112 -13.690 4.737 1.00 0.00 H new ATOM 960 N CYS A 60 -2.200 -9.326 -2.796 1.00 0.00 N ATOM 961 CA CYS A 60 -2.904 -9.044 -4.044 1.00 0.00 C ATOM 962 C CYS A 60 -2.433 -7.728 -4.666 1.00 0.00 C ATOM 963 O CYS A 60 -2.764 -7.422 -5.811 1.00 0.00 O ATOM 964 CB CYS A 60 -4.417 -8.996 -3.806 1.00 0.00 C ATOM 965 SG CYS A 60 -4.981 -7.560 -2.834 1.00 0.00 S ATOM 0 H CYS A 60 -2.677 -8.992 -1.959 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.676 -9.851 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.924 -8.988 -4.771 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.721 -9.909 -3.293 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.181 -7.377 -1.826 1.00 0.00 H new ATOM 970 N HIS A 61 -1.657 -6.956 -3.906 1.00 0.00 N ATOM 971 CA HIS A 61 -1.139 -5.675 -4.384 1.00 0.00 C ATOM 972 C HIS A 61 -2.247 -4.627 -4.474 1.00 0.00 C ATOM 973 O HIS A 61 -2.889 -4.474 -5.513 1.00 0.00 O ATOM 974 CB HIS A 61 -0.459 -5.843 -5.748 1.00 0.00 C ATOM 975 CG HIS A 61 1.024 -5.640 -5.704 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.831 -6.198 -4.736 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.846 -4.935 -6.516 1.00 0.00 C ATOM 978 CE1 HIS A 61 3.086 -5.846 -4.955 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.123 -5.080 -6.029 1.00 0.00 N ATOM 0 H HIS A 61 -1.373 -7.196 -2.956 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.400 -5.327 -3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.670 -6.842 -6.130 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.894 -5.134 -6.452 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.553 -4.365 -7.385 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.937 -6.136 -4.357 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.962 -4.664 -6.432 1.00 0.00 H new ATOM 988 N ILE A 62 -2.452 -3.901 -3.380 1.00 0.00 N ATOM 989 CA ILE A 62 -3.467 -2.855 -3.324 1.00 0.00 C ATOM 990 C ILE A 62 -3.067 -1.777 -2.329 1.00 0.00 C ATOM 991 O ILE A 62 -2.656 -2.077 -1.211 1.00 0.00 O ATOM 992 CB ILE A 62 -4.847 -3.411 -2.923 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.788 -4.057 -1.537 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.331 -4.407 -3.959 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.753 -3.448 -0.544 1.00 0.00 C ATOM 0 H ILE A 62 -1.925 -4.019 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.539 -2.433 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.555 -2.584 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.001 -5.122 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.774 -3.969 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.307 -4.793 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.413 -3.914 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.621 -5.231 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.656 -3.955 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.527 -2.389 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.773 -3.560 -0.912 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.183 -0.520 -2.737 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.820 0.581 -1.863 1.00 0.00 C ATOM 1009 C LYS A 63 -4.049 1.236 -1.247 1.00 0.00 C ATOM 1010 O LYS A 63 -5.101 1.321 -1.874 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.004 1.626 -2.621 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.813 1.049 -3.366 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.239 0.368 -4.657 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.109 0.339 -5.672 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.586 -0.074 -7.021 1.00 0.00 N ATOM 0 H LYS A 63 -3.522 -0.242 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.213 0.168 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.654 2.135 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.650 2.379 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.103 1.845 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.297 0.332 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.563 -0.651 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.096 0.892 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.348 1.327 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.665 -0.350 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.214 -0.081 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.999 -1.027 -6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.307 0.597 -7.355 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.898 1.704 -0.013 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.986 2.363 0.696 1.00 0.00 C ATOM 1031 C CYS A 64 -4.438 3.244 1.815 1.00 0.00 C ATOM 1032 O CYS A 64 -3.897 2.736 2.798 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.952 1.327 1.272 1.00 0.00 C ATOM 1034 SG CYS A 64 -5.176 0.136 2.391 1.00 0.00 S ATOM 0 H CYS A 64 -3.029 1.638 0.518 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.526 2.991 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.748 1.846 1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.420 0.785 0.450 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.960 -0.100 1.998 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.568 4.563 1.650 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.073 5.529 2.645 1.00 0.00 C ATOM 1042 C HIS A 65 -4.106 4.969 4.055 1.00 0.00 C ATOM 1043 O HIS A 65 -5.104 4.390 4.486 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.883 6.837 2.643 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.941 6.919 1.590 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -6.964 6.079 1.366 1.00 0.00 N flip ATOM 1047 CD2 HIS A 65 -6.076 7.937 0.669 1.00 0.00 C flip ATOM 1048 CE1 HIS A 65 -7.744 6.556 0.327 1.00 0.00 C flip ATOM 1049 NE2 HIS A 65 -7.173 7.679 -0.065 1.00 0.00 N flip ATOM 0 H HIS A 65 -5.012 4.991 0.837 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.043 5.733 2.351 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.352 6.959 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.196 7.673 2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.420 8.787 0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.636 6.103 -0.079 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.517 8.271 -0.821 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.026 5.190 4.783 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.942 4.756 6.163 1.00 0.00 C ATOM 1059 C LYS A 66 -4.146 5.296 6.927 1.00 0.00 C ATOM 1060 O LYS A 66 -4.625 4.682 7.880 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.636 5.240 6.799 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.549 4.976 8.296 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.220 4.338 8.679 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.423 3.011 9.393 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.732 2.090 9.195 1.00 0.00 N ATOM 0 H LYS A 66 -2.194 5.669 4.439 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.948 3.667 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.798 4.750 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.530 6.310 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.673 5.913 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.367 4.322 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.381 4.182 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.338 5.017 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.566 3.190 10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.333 2.536 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.480 1.140 9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.970 2.045 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.552 2.442 9.729 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.630 6.462 6.488 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.777 7.105 7.114 1.00 0.00 C ATOM 1081 C ASP A 67 -6.938 6.128 7.288 1.00 0.00 C ATOM 1082 O ASP A 67 -7.559 6.080 8.350 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.219 8.326 6.290 1.00 0.00 C ATOM 1084 CG ASP A 67 -7.445 8.067 5.428 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -7.350 7.243 4.495 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -8.496 8.690 5.688 1.00 0.00 O ATOM 0 H ASP A 67 -4.240 6.977 5.699 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.474 7.440 8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.429 9.154 6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.395 8.640 5.650 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.238 5.353 6.245 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.347 4.394 6.329 1.00 0.00 C ATOM 1093 C HIS A 68 -8.195 3.486 7.548 1.00 0.00 C ATOM 1094 O HIS A 68 -9.134 3.319 8.328 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.452 3.535 5.065 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.060 4.252 3.902 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.051 5.204 4.011 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.743 4.190 2.589 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.293 5.685 2.782 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.522 5.103 1.884 1.00 0.00 N ATOM 0 H HIS A 68 -6.745 5.366 5.352 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.262 4.978 6.427 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.456 3.189 4.787 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.047 2.649 5.286 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.517 5.491 4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.002 3.535 2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.023 6.448 2.558 1.00 0.00 H new ATOM 1108 N MET A 69 -7.012 2.903 7.704 1.00 0.00 N ATOM 1109 CA MET A 69 -6.742 2.014 8.829 1.00 0.00 C ATOM 1110 C MET A 69 -6.855 2.759 10.154 1.00 0.00 C ATOM 1111 O MET A 69 -7.556 2.321 11.067 1.00 0.00 O ATOM 1112 CB MET A 69 -5.348 1.396 8.695 1.00 0.00 C ATOM 1113 CG MET A 69 -5.032 0.374 9.775 1.00 0.00 C ATOM 1114 SD MET A 69 -6.071 -1.097 9.666 1.00 0.00 S ATOM 1115 CE MET A 69 -5.727 -1.633 7.993 1.00 0.00 C ATOM 0 H MET A 69 -6.225 3.029 7.067 1.00 0.00 H new ATOM 0 HA MET A 69 -7.488 1.219 8.817 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.263 0.919 7.719 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.602 2.190 8.728 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.985 0.081 9.697 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.162 0.834 10.754 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.633 -1.556 7.393 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.951 -1.001 7.561 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.387 -2.669 8.005 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.162 3.889 10.251 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.184 4.699 11.465 1.00 0.00 C ATOM 1127 C ASP A 70 -7.614 5.068 11.850 1.00 0.00 C ATOM 1128 O ASP A 70 -7.920 5.258 13.028 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.351 5.967 11.270 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.497 6.289 12.480 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.013 5.342 13.135 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -4.311 7.490 12.773 1.00 0.00 O ATOM 0 H ASP A 70 -5.578 4.265 9.504 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.752 4.109 12.274 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.709 5.846 10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.015 6.806 11.063 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.484 5.166 10.850 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.882 5.511 11.084 1.00 0.00 C ATOM 1139 C LYS A 71 -10.738 4.258 11.253 1.00 0.00 C ATOM 1140 O LYS A 71 -11.852 4.324 11.775 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.418 6.357 9.928 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.609 7.619 9.673 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.398 8.870 10.021 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.481 10.026 10.384 1.00 0.00 C ATOM 1145 NZ LYS A 71 -10.136 11.345 10.170 1.00 0.00 N ATOM 0 H LYS A 71 -8.246 5.012 9.870 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.936 6.088 12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.429 5.753 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.451 6.634 10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.693 7.590 10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.312 7.656 8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.024 9.153 9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.066 8.659 10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.180 9.936 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.573 9.971 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.477 12.106 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.401 11.443 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.989 11.409 10.762 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.217 3.117 10.807 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.939 1.852 10.910 1.00 0.00 C ATOM 1161 C LYS A 72 -12.176 1.861 10.015 1.00 0.00 C ATOM 1162 O LYS A 72 -13.266 1.474 10.438 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.337 1.583 12.366 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.917 0.212 12.867 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.555 -0.902 12.050 1.00 0.00 C ATOM 1166 CE LYS A 72 -11.272 -2.268 12.653 1.00 0.00 C ATOM 1167 NZ LYS A 72 -12.134 -2.542 13.836 1.00 0.00 N ATOM 0 H LYS A 72 -9.298 3.043 10.371 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.279 1.052 10.574 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.890 2.346 13.003 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.418 1.680 12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.832 0.123 12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.200 0.104 13.914 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.632 -0.743 11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.176 -0.868 11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.434 -3.038 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.224 -2.325 12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.910 -3.483 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.961 -1.822 14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.134 -2.513 13.551 1.00 0.00 H new ATOM 1181 N GLU A 73 -11.999 2.305 8.776 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.099 2.365 7.819 1.00 0.00 C ATOM 1183 C GLU A 73 -13.495 0.969 7.353 1.00 0.00 C ATOM 1184 O GLU A 73 -12.673 0.220 6.829 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.709 3.225 6.615 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.324 4.648 6.982 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.801 5.663 5.961 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -13.977 5.582 5.550 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -11.998 6.536 5.571 1.00 0.00 O ATOM 0 H GLU A 73 -11.104 2.629 8.410 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.956 2.817 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.873 2.753 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.543 3.253 5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.744 4.894 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.240 4.714 7.076 1.00 0.00 H new ATOM 1196 N GLU A 74 -14.766 0.627 7.544 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.277 -0.677 7.140 1.00 0.00 C ATOM 1198 C GLU A 74 -15.148 -0.871 5.630 1.00 0.00 C ATOM 1199 O GLU A 74 -15.122 -1.999 5.140 1.00 0.00 O ATOM 1200 CB GLU A 74 -16.742 -0.826 7.561 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.691 0.093 6.809 1.00 0.00 C ATOM 1202 CD GLU A 74 -18.943 0.414 7.603 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.822 -0.467 7.706 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -19.042 1.546 8.122 1.00 0.00 O ATOM 0 H GLU A 74 -15.461 1.236 7.976 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.682 -1.442 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.052 -1.859 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.826 -0.625 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.174 1.020 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.973 -0.375 5.866 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.070 0.239 4.901 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.947 0.201 3.447 1.00 0.00 C ATOM 1213 C ILE A 75 -13.863 -0.781 3.002 1.00 0.00 C ATOM 1214 O ILE A 75 -13.938 -1.349 1.913 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.633 1.599 2.881 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.253 2.071 3.349 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.710 2.588 3.306 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.926 3.493 2.947 1.00 0.00 C ATOM 0 H ILE A 75 -15.090 1.179 5.296 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.907 -0.136 3.056 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.621 1.542 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.200 1.989 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.493 1.404 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.479 3.573 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.677 2.258 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.745 2.642 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.934 3.756 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.946 3.578 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.663 4.171 3.377 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.861 -0.973 3.853 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.766 -1.886 3.547 1.00 0.00 C ATOM 1232 C ILE A 76 -12.209 -3.339 3.702 1.00 0.00 C ATOM 1233 O ILE A 76 -12.799 -3.713 4.715 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.548 -1.628 4.459 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.055 -0.189 4.289 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.427 -2.618 4.161 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -8.930 0.178 5.232 1.00 0.00 C ATOM 0 H ILE A 76 -12.784 -0.510 4.758 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.477 -1.704 2.512 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.857 -1.771 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.719 -0.047 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.889 0.494 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.580 -2.416 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.784 -3.634 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.115 -2.513 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.630 1.211 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.269 0.069 6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.079 -0.481 5.058 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.918 -4.154 2.692 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.286 -5.564 2.722 1.00 0.00 C ATOM 1251 C ALA A 77 -11.053 -6.451 2.824 1.00 0.00 C ATOM 1252 O ALA A 77 -9.929 -6.003 2.598 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.092 -5.932 1.487 1.00 0.00 C ATOM 0 H ALA A 77 -11.430 -3.862 1.845 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.901 -5.729 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.358 -6.988 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.000 -5.331 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.497 -5.741 0.594 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.252 -7.734 3.163 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.155 -8.695 3.293 1.00 0.00 C ATOM 1261 C PRO A 78 -9.462 -8.974 1.963 1.00 0.00 C ATOM 1262 O PRO A 78 -9.989 -8.654 0.898 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.845 -9.964 3.803 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.276 -9.815 3.415 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.565 -8.344 3.448 1.00 0.00 C ATOM 0 HA PRO A 78 -9.372 -8.322 3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.407 -10.857 3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.738 -10.063 4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.455 -10.225 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.925 -10.355 4.104 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.309 -8.063 2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.952 -8.032 4.418 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.279 -9.578 2.033 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.516 -9.907 0.835 1.00 0.00 C ATOM 1275 C CYS A 79 -8.258 -10.944 -0.004 1.00 0.00 C ATOM 1276 O CYS A 79 -8.954 -11.806 0.533 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.127 -10.430 1.215 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.896 -10.309 -0.131 1.00 0.00 S ATOM 0 H CYS A 79 -7.829 -9.849 2.907 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.399 -9.000 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.763 -9.872 2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.214 -11.472 1.522 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.178 -9.238 0.033 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.120 -10.850 -1.324 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.791 -11.776 -2.229 1.00 0.00 C ATOM 1285 C LYS A 80 -7.886 -12.944 -2.614 1.00 0.00 C ATOM 1286 O LYS A 80 -8.335 -14.088 -2.689 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.263 -11.043 -3.488 1.00 0.00 C ATOM 1288 CG LYS A 80 -8.137 -10.406 -4.287 1.00 0.00 C ATOM 1289 CD LYS A 80 -7.729 -11.276 -5.464 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.648 -11.064 -6.657 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.480 -12.130 -7.684 1.00 0.00 N ATOM 0 H LYS A 80 -7.551 -10.143 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.655 -12.181 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.797 -11.746 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.975 -10.269 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.454 -9.428 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.276 -10.242 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.702 -11.047 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.751 -12.325 -5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.684 -11.046 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.442 -10.092 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.124 -11.949 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.498 -12.131 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.701 -13.055 -7.263 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.613 -12.654 -2.863 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.659 -13.689 -3.246 1.00 0.00 C ATOM 1307 C VAL A 81 -5.502 -14.737 -2.147 1.00 0.00 C ATOM 1308 O VAL A 81 -5.119 -15.876 -2.412 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.277 -13.094 -3.575 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.374 -12.139 -4.756 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.686 -12.395 -2.358 1.00 0.00 C ATOM 0 H VAL A 81 -6.219 -11.715 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.062 -14.165 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.609 -13.910 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.388 -11.728 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.744 -12.676 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.059 -11.327 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.710 -11.982 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.349 -11.589 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.575 -13.112 -1.545 1.00 0.00 H new