USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 52 CYS SG : rot 72:sc= -0.393 USER MOD Set 1.2: A 59 MET CE :methyl -170:sc= -0.0301 (180deg=-0.125) USER MOD Set 2.1: A 32 SER OG : rot 160:sc= 1.28 USER MOD Set 2.2: A 55 GLN : amide:sc= 1.04 K(o=2.3,f=-2.5!) USER MOD Set 3.1: A 29 GLN : amide:sc= 0.985 K(o=1.9,f=0.75) USER MOD Set 3.2: A 51 TYR OH : rot 96:sc= 0.874 USER MOD Set 4.1: A 21 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.2: A 37 LYS NZ :NH3+ 170:sc= 1.29 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -43:sc= 0.892 USER MOD Single : A 35 HIS : no HD1:sc= 0.838 K(o=0.84,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 157:sc= -0.512 (180deg=-1.41!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.0703 F(o=-0.74,f=-0.07) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.17) USER MOD Single : A 46 LYS NZ :NH3+ -142:sc= 1.28 (180deg=-0.442) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 2.47 (180deg=0.712) USER MOD Single : A 50 SER OG : rot 146:sc= 0.386 USER MOD Single : A 53 GLN : amide:sc= 0.901 K(o=0.9,f=-0.33) USER MOD Single : A 60 ASN : amide:sc= 0.176 K(o=0.18,f=-1.3) USER MOD Single : A 61 SER OG : rot -94:sc= 0.386 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.8) USER MOD Single : A 75 HIS : no HD1:sc= 0.281 K(o=0.28,f=-1.9!) USER MOD Single : A 76 THR OG1 : rot -142:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.17) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -107:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 78.651 10.286 -12.952 1.00 0.00 N ATOM 291 CA TYR A 21 78.701 8.853 -13.249 1.00 0.00 C ATOM 292 C TYR A 21 77.570 8.094 -12.562 1.00 0.00 C ATOM 293 O TYR A 21 77.013 7.159 -13.142 1.00 0.00 O ATOM 294 CB TYR A 21 80.063 8.258 -12.856 1.00 0.00 C ATOM 295 CG TYR A 21 80.675 8.844 -11.597 1.00 0.00 C ATOM 296 CD1 TYR A 21 80.336 8.354 -10.342 1.00 0.00 C ATOM 297 CD2 TYR A 21 81.598 9.882 -11.667 1.00 0.00 C ATOM 298 CE1 TYR A 21 80.898 8.879 -9.193 1.00 0.00 C ATOM 299 CE2 TYR A 21 82.163 10.412 -10.523 1.00 0.00 C ATOM 300 CZ TYR A 21 81.809 9.907 -9.290 1.00 0.00 C ATOM 301 OH TYR A 21 82.373 10.432 -8.148 1.00 0.00 O ATOM 0 HA TYR A 21 78.570 8.742 -14.325 1.00 0.00 H new ATOM 0 HB2 TYR A 21 79.948 7.183 -12.720 1.00 0.00 H new ATOM 0 HB3 TYR A 21 80.759 8.403 -13.682 1.00 0.00 H new ATOM 0 HD1 TYR A 21 79.621 7.549 -10.262 1.00 0.00 H new ATOM 0 HD2 TYR A 21 81.878 10.280 -12.631 1.00 0.00 H new ATOM 0 HE1 TYR A 21 80.624 8.485 -8.225 1.00 0.00 H new ATOM 0 HE2 TYR A 21 82.878 11.218 -10.594 1.00 0.00 H new ATOM 0 HH TYR A 21 82.996 11.149 -8.390 1.00 0.00 H new ATOM 311 N ILE A 22 77.235 8.509 -11.335 1.00 0.00 N ATOM 312 CA ILE A 22 76.165 7.880 -10.552 1.00 0.00 C ATOM 313 C ILE A 22 76.609 6.521 -9.983 1.00 0.00 C ATOM 314 O ILE A 22 76.902 5.580 -10.720 1.00 0.00 O ATOM 315 CB ILE A 22 74.866 7.738 -11.391 1.00 0.00 C ATOM 316 CG1 ILE A 22 74.030 9.015 -11.295 1.00 0.00 C ATOM 317 CG2 ILE A 22 74.045 6.536 -10.957 1.00 0.00 C ATOM 318 CD1 ILE A 22 73.487 9.484 -12.627 1.00 0.00 C ATOM 0 H ILE A 22 77.695 9.285 -10.859 1.00 0.00 H new ATOM 0 HA ILE A 22 75.948 8.535 -9.708 1.00 0.00 H new ATOM 0 HB ILE A 22 75.159 7.580 -12.429 1.00 0.00 H new ATOM 0 HG12 ILE A 22 73.198 8.844 -10.612 1.00 0.00 H new ATOM 0 HG13 ILE A 22 74.640 9.807 -10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 22 73.144 6.471 -11.568 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.635 5.628 -11.082 1.00 0.00 H new ATOM 0 HG23 ILE A 22 73.766 6.645 -9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 22 72.904 10.394 -12.482 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.315 9.687 -13.306 1.00 0.00 H new ATOM 0 HD13 ILE A 22 72.850 8.709 -13.053 1.00 0.00 H new ATOM 330 N LYS A 23 76.664 6.435 -8.655 1.00 0.00 N ATOM 331 CA LYS A 23 77.072 5.202 -7.979 1.00 0.00 C ATOM 332 C LYS A 23 75.927 4.191 -7.929 1.00 0.00 C ATOM 333 O LYS A 23 74.771 4.554 -7.703 1.00 0.00 O ATOM 334 CB LYS A 23 77.559 5.510 -6.558 1.00 0.00 C ATOM 335 CG LYS A 23 78.487 6.712 -6.470 1.00 0.00 C ATOM 336 CD LYS A 23 78.206 7.545 -5.232 1.00 0.00 C ATOM 337 CE LYS A 23 78.807 8.936 -5.346 1.00 0.00 C ATOM 338 NZ LYS A 23 78.706 9.695 -4.069 1.00 0.00 N ATOM 0 H LYS A 23 76.432 7.203 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 23 77.889 4.763 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.694 5.684 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 23 78.076 4.635 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 23 79.523 6.372 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 23 78.368 7.330 -7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 23 77.129 7.624 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 23 78.613 7.043 -4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 23 79.854 8.855 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 23 78.297 9.487 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 79.128 10.638 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 77.706 9.795 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 79.214 9.183 -3.320 1.00 0.00 H new ATOM 352 N LEU A 24 76.256 2.919 -8.131 1.00 0.00 N ATOM 353 CA LEU A 24 75.250 1.856 -8.118 1.00 0.00 C ATOM 354 C LEU A 24 75.225 1.135 -6.769 1.00 0.00 C ATOM 355 O LEU A 24 76.260 0.969 -6.119 1.00 0.00 O ATOM 356 CB LEU A 24 75.518 0.858 -9.251 1.00 0.00 C ATOM 357 CG LEU A 24 75.677 1.477 -10.645 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.832 0.391 -11.697 1.00 0.00 C ATOM 359 CD2 LEU A 24 74.490 2.370 -10.979 1.00 0.00 C ATOM 0 H LEU A 24 77.208 2.597 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 24 74.273 2.313 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.423 0.299 -9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.699 0.140 -9.282 1.00 0.00 H new ATOM 0 HG LEU A 24 76.578 2.090 -10.642 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.944 0.850 -12.680 1.00 0.00 H new ATOM 0 HD12 LEU A 24 76.715 -0.208 -11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 24 74.949 -0.248 -11.693 1.00 0.00 H new ATOM 0 HD21 LEU A 24 74.625 2.798 -11.972 1.00 0.00 H new ATOM 0 HD22 LEU A 24 73.574 1.780 -10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 24 74.420 3.172 -10.245 1.00 0.00 H new ATOM 371 N LYS A 25 74.033 0.704 -6.356 1.00 0.00 N ATOM 372 CA LYS A 25 73.862 0.012 -5.079 1.00 0.00 C ATOM 373 C LYS A 25 73.249 -1.378 -5.264 1.00 0.00 C ATOM 374 O LYS A 25 72.212 -1.533 -5.909 1.00 0.00 O ATOM 375 CB LYS A 25 72.989 0.848 -4.140 1.00 0.00 C ATOM 376 CG LYS A 25 72.842 0.254 -2.745 1.00 0.00 C ATOM 377 CD LYS A 25 71.408 0.343 -2.246 1.00 0.00 C ATOM 378 CE LYS A 25 71.113 1.700 -1.627 1.00 0.00 C ATOM 379 NZ LYS A 25 69.652 1.961 -1.525 1.00 0.00 N ATOM 0 H LYS A 25 73.171 0.822 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 25 74.851 -0.117 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.416 1.847 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.999 0.960 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.159 -0.789 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.501 0.779 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.722 0.164 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.229 -0.440 -1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 25 71.560 1.750 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 25 71.580 2.481 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 69.495 2.896 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 69.228 1.939 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 69.210 1.231 -0.931 1.00 0.00 H new ATOM 393 N VAL A 26 73.906 -2.386 -4.700 1.00 0.00 N ATOM 394 CA VAL A 26 73.430 -3.769 -4.781 1.00 0.00 C ATOM 395 C VAL A 26 73.193 -4.343 -3.379 1.00 0.00 C ATOM 396 O VAL A 26 73.975 -4.096 -2.459 1.00 0.00 O ATOM 397 CB VAL A 26 74.432 -4.672 -5.542 1.00 0.00 C ATOM 398 CG1 VAL A 26 73.862 -6.066 -5.754 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.814 -4.051 -6.879 1.00 0.00 C ATOM 0 H VAL A 26 74.775 -2.273 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 26 72.489 -3.754 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 26 75.330 -4.758 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.587 -6.678 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 26 73.647 -6.522 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 26 72.943 -5.999 -6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.518 -4.703 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 26 73.920 -3.926 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.277 -3.079 -6.710 1.00 0.00 H new ATOM 409 N ILE A 27 72.112 -5.108 -3.220 1.00 0.00 N ATOM 410 CA ILE A 27 71.789 -5.721 -1.928 1.00 0.00 C ATOM 411 C ILE A 27 72.166 -7.204 -1.928 1.00 0.00 C ATOM 412 O ILE A 27 71.639 -7.992 -2.720 1.00 0.00 O ATOM 413 CB ILE A 27 70.284 -5.579 -1.570 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.872 -4.106 -1.460 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.974 -6.303 -0.266 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.385 -3.883 -1.634 1.00 0.00 C ATOM 0 H ILE A 27 71.447 -5.318 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 27 72.370 -5.189 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 27 69.710 -6.035 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.178 -3.723 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.409 -3.529 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.915 -6.193 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.214 -7.361 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.571 -5.874 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.164 -2.819 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.077 -4.236 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 27 67.842 -4.433 -0.865 1.00 0.00 H new ATOM 428 N GLY A 28 73.082 -7.579 -1.037 1.00 0.00 N ATOM 429 CA GLY A 28 73.523 -8.965 -0.949 1.00 0.00 C ATOM 430 C GLY A 28 72.507 -9.884 -0.283 1.00 0.00 C ATOM 431 O GLY A 28 71.495 -9.426 0.251 1.00 0.00 O ATOM 0 H GLY A 28 73.528 -6.947 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 28 73.734 -9.336 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.459 -9.006 -0.391 1.00 0.00 H new ATOM 435 N GLN A 29 72.795 -11.188 -0.295 1.00 0.00 N ATOM 436 CA GLN A 29 71.900 -12.193 0.300 1.00 0.00 C ATOM 437 C GLN A 29 71.721 -11.979 1.809 1.00 0.00 C ATOM 438 O GLN A 29 70.657 -12.253 2.359 1.00 0.00 O ATOM 439 CB GLN A 29 72.405 -13.627 0.044 1.00 0.00 C ATOM 440 CG GLN A 29 73.810 -13.731 -0.548 1.00 0.00 C ATOM 441 CD GLN A 29 74.904 -13.394 0.449 1.00 0.00 C ATOM 442 OE1 GLN A 29 74.862 -13.812 1.603 1.00 0.00 O ATOM 443 NE2 GLN A 29 75.893 -12.633 0.009 1.00 0.00 N ATOM 0 H GLN A 29 73.642 -11.577 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 29 70.933 -12.066 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.385 -14.175 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 29 71.707 -14.125 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 29 73.966 -14.743 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 29 73.888 -13.060 -1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 29 75.893 -12.305 -0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 29 76.655 -12.375 0.636 1.00 0.00 H new ATOM 452 N ASP A 30 72.765 -11.484 2.471 1.00 0.00 N ATOM 453 CA ASP A 30 72.715 -11.237 3.908 1.00 0.00 C ATOM 454 C ASP A 30 72.332 -9.783 4.217 1.00 0.00 C ATOM 455 O ASP A 30 72.696 -9.251 5.266 1.00 0.00 O ATOM 456 CB ASP A 30 74.068 -11.569 4.541 1.00 0.00 C ATOM 457 CG ASP A 30 73.930 -12.336 5.844 1.00 0.00 C ATOM 458 OD1 ASP A 30 72.851 -12.924 6.076 1.00 0.00 O ATOM 459 OD2 ASP A 30 74.899 -12.352 6.629 1.00 0.00 O ATOM 0 H ASP A 30 73.655 -11.246 2.034 1.00 0.00 H new ATOM 0 HA ASP A 30 71.946 -11.882 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 30 74.659 -12.157 3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.616 -10.645 4.724 1.00 0.00 H new ATOM 464 N SER A 31 71.601 -9.151 3.289 1.00 0.00 N ATOM 465 CA SER A 31 71.160 -7.756 3.437 1.00 0.00 C ATOM 466 C SER A 31 72.352 -6.793 3.485 1.00 0.00 C ATOM 467 O SER A 31 72.306 -5.752 4.145 1.00 0.00 O ATOM 468 CB SER A 31 70.288 -7.587 4.689 1.00 0.00 C ATOM 469 OG SER A 31 69.796 -6.261 4.798 1.00 0.00 O ATOM 0 H SER A 31 71.300 -9.589 2.419 1.00 0.00 H new ATOM 0 HA SER A 31 70.562 -7.509 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.452 -8.285 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 31 70.870 -7.836 5.577 1.00 0.00 H new ATOM 0 HG SER A 31 70.514 -5.627 4.589 1.00 0.00 H new ATOM 475 N SER A 32 73.414 -7.146 2.767 1.00 0.00 N ATOM 476 CA SER A 32 74.622 -6.327 2.720 1.00 0.00 C ATOM 477 C SER A 32 74.492 -5.203 1.695 1.00 0.00 C ATOM 478 O SER A 32 74.195 -5.447 0.524 1.00 0.00 O ATOM 479 CB SER A 32 75.832 -7.201 2.376 1.00 0.00 C ATOM 480 OG SER A 32 75.427 -8.470 1.887 1.00 0.00 O ATOM 0 H SER A 32 73.463 -7.997 2.207 1.00 0.00 H new ATOM 0 HA SER A 32 74.761 -5.877 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.445 -6.699 1.628 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.453 -7.331 3.262 1.00 0.00 H new ATOM 0 HG SER A 32 76.161 -8.875 1.379 1.00 0.00 H new ATOM 486 N GLU A 33 74.717 -3.971 2.143 1.00 0.00 N ATOM 487 CA GLU A 33 74.627 -2.804 1.268 1.00 0.00 C ATOM 488 C GLU A 33 76.001 -2.441 0.696 1.00 0.00 C ATOM 489 O GLU A 33 76.870 -1.948 1.414 1.00 0.00 O ATOM 490 CB GLU A 33 74.058 -1.609 2.041 1.00 0.00 C ATOM 491 CG GLU A 33 72.876 -0.940 1.359 1.00 0.00 C ATOM 492 CD GLU A 33 72.661 0.488 1.826 1.00 0.00 C ATOM 493 OE1 GLU A 33 73.243 1.409 1.207 1.00 0.00 O ATOM 494 OE2 GLU A 33 71.916 0.689 2.806 1.00 0.00 O ATOM 0 H GLU A 33 74.964 -3.754 3.109 1.00 0.00 H new ATOM 0 HA GLU A 33 73.961 -3.051 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.752 -1.943 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.848 -0.871 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 33 73.034 -0.945 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 33 71.974 -1.521 1.552 1.00 0.00 H new ATOM 501 N ILE A 34 76.189 -2.680 -0.600 1.00 0.00 N ATOM 502 CA ILE A 34 77.462 -2.371 -1.252 1.00 0.00 C ATOM 503 C ILE A 34 77.290 -1.292 -2.324 1.00 0.00 C ATOM 504 O ILE A 34 76.404 -1.382 -3.178 1.00 0.00 O ATOM 505 CB ILE A 34 78.105 -3.625 -1.891 1.00 0.00 C ATOM 506 CG1 ILE A 34 77.947 -4.839 -0.967 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.575 -3.370 -2.194 1.00 0.00 C ATOM 508 CD1 ILE A 34 78.578 -6.105 -1.507 1.00 0.00 C ATOM 0 H ILE A 34 75.483 -3.083 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 34 78.125 -2.000 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 34 77.592 -3.839 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 34 78.391 -4.607 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 34 76.885 -5.018 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.014 -4.261 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.664 -2.533 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.101 -3.133 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 34 78.425 -6.919 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.117 -6.363 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 34 79.647 -5.946 -1.651 1.00 0.00 H new ATOM 520 N HIS A 35 78.141 -0.270 -2.265 1.00 0.00 N ATOM 521 CA HIS A 35 78.092 0.834 -3.225 1.00 0.00 C ATOM 522 C HIS A 35 79.329 0.829 -4.122 1.00 0.00 C ATOM 523 O HIS A 35 80.458 0.815 -3.635 1.00 0.00 O ATOM 524 CB HIS A 35 77.995 2.177 -2.493 1.00 0.00 C ATOM 525 CG HIS A 35 76.655 2.443 -1.878 1.00 0.00 C ATOM 526 ND1 HIS A 35 75.816 3.453 -2.304 1.00 0.00 N ATOM 527 CD2 HIS A 35 76.010 1.832 -0.855 1.00 0.00 C ATOM 528 CE1 HIS A 35 74.718 3.454 -1.569 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.812 2.480 -0.685 1.00 0.00 N ATOM 0 H HIS A 35 78.875 -0.182 -1.562 1.00 0.00 H new ATOM 0 HA HIS A 35 77.206 0.699 -3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.754 2.208 -1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.226 2.979 -3.194 1.00 0.00 H new ATOM 0 HD2 HIS A 35 76.371 0.992 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 35 73.887 4.135 -1.674 1.00 0.00 H new ATOM 0 HE2 HIS A 35 74.107 2.246 0.014 1.00 0.00 H new ATOM 537 N PHE A 36 79.111 0.846 -5.433 1.00 0.00 N ATOM 538 CA PHE A 36 80.220 0.846 -6.385 1.00 0.00 C ATOM 539 C PHE A 36 80.294 2.165 -7.156 1.00 0.00 C ATOM 540 O PHE A 36 79.313 2.603 -7.761 1.00 0.00 O ATOM 541 CB PHE A 36 80.096 -0.331 -7.355 1.00 0.00 C ATOM 542 CG PHE A 36 81.424 -0.896 -7.789 1.00 0.00 C ATOM 543 CD1 PHE A 36 82.444 -1.095 -6.872 1.00 0.00 C ATOM 544 CD2 PHE A 36 81.651 -1.222 -9.116 1.00 0.00 C ATOM 545 CE1 PHE A 36 83.663 -1.609 -7.270 1.00 0.00 C ATOM 546 CE2 PHE A 36 82.867 -1.737 -9.520 1.00 0.00 C ATOM 547 CZ PHE A 36 83.874 -1.930 -8.596 1.00 0.00 C ATOM 0 H PHE A 36 78.185 0.860 -5.860 1.00 0.00 H new ATOM 0 HA PHE A 36 81.144 0.737 -5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.511 -1.120 -6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 36 79.542 -0.008 -8.237 1.00 0.00 H new ATOM 0 HD1 PHE A 36 82.284 -0.845 -5.834 1.00 0.00 H new ATOM 0 HD2 PHE A 36 80.867 -1.072 -9.844 1.00 0.00 H new ATOM 0 HE1 PHE A 36 84.449 -1.759 -6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 36 83.030 -1.988 -10.558 1.00 0.00 H new ATOM 0 HZ PHE A 36 84.826 -2.332 -8.910 1.00 0.00 H new ATOM 557 N LYS A 37 81.470 2.787 -7.131 1.00 0.00 N ATOM 558 CA LYS A 37 81.690 4.059 -7.817 1.00 0.00 C ATOM 559 C LYS A 37 82.050 3.850 -9.290 1.00 0.00 C ATOM 560 O LYS A 37 83.223 3.853 -9.664 1.00 0.00 O ATOM 561 CB LYS A 37 82.801 4.845 -7.116 1.00 0.00 C ATOM 562 CG LYS A 37 82.370 6.224 -6.641 1.00 0.00 C ATOM 563 CD LYS A 37 83.567 7.132 -6.417 1.00 0.00 C ATOM 564 CE LYS A 37 83.247 8.250 -5.439 1.00 0.00 C ATOM 565 NZ LYS A 37 83.706 9.575 -5.940 1.00 0.00 N ATOM 0 H LYS A 37 82.290 2.429 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 37 80.760 4.625 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 37 83.156 4.270 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 37 83.644 4.953 -7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 37 81.704 6.673 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 37 81.804 6.131 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 37 84.404 6.545 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 37 83.883 7.560 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 37 82.172 8.281 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 37 83.721 8.040 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 83.324 10.327 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 84.745 9.611 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.370 9.713 -6.915 1.00 0.00 H new ATOM 579 N VAL A 38 81.030 3.665 -10.120 1.00 0.00 N ATOM 580 CA VAL A 38 81.225 3.458 -11.555 1.00 0.00 C ATOM 581 C VAL A 38 80.265 4.327 -12.367 1.00 0.00 C ATOM 582 O VAL A 38 79.621 5.223 -11.825 1.00 0.00 O ATOM 583 CB VAL A 38 81.019 1.980 -11.957 1.00 0.00 C ATOM 584 CG1 VAL A 38 82.307 1.189 -11.781 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.886 1.351 -11.158 1.00 0.00 C ATOM 0 H VAL A 38 80.054 3.654 -9.824 1.00 0.00 H new ATOM 0 HA VAL A 38 82.255 3.741 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 38 80.743 1.953 -13.011 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.139 0.151 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 38 83.087 1.619 -12.410 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.619 1.229 -10.737 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.762 0.311 -11.460 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.123 1.394 -10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.961 1.897 -11.346 1.00 0.00 H new ATOM 595 N LYS A 39 80.181 4.066 -13.666 1.00 0.00 N ATOM 596 CA LYS A 39 79.287 4.815 -14.544 1.00 0.00 C ATOM 597 C LYS A 39 78.077 3.965 -14.927 1.00 0.00 C ATOM 598 O LYS A 39 78.172 2.740 -14.999 1.00 0.00 O ATOM 599 CB LYS A 39 80.033 5.270 -15.803 1.00 0.00 C ATOM 600 CG LYS A 39 79.445 6.520 -16.442 1.00 0.00 C ATOM 601 CD LYS A 39 80.448 7.208 -17.354 1.00 0.00 C ATOM 602 CE LYS A 39 80.701 8.644 -16.924 1.00 0.00 C ATOM 603 NZ LYS A 39 79.557 9.537 -17.263 1.00 0.00 N ATOM 0 H LYS A 39 80.722 3.340 -14.136 1.00 0.00 H new ATOM 0 HA LYS A 39 78.937 5.696 -14.007 1.00 0.00 H new ATOM 0 HB2 LYS A 39 81.076 5.458 -15.549 1.00 0.00 H new ATOM 0 HB3 LYS A 39 80.024 4.461 -16.533 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.556 6.253 -17.014 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.127 7.212 -15.663 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.387 6.654 -17.347 1.00 0.00 H new ATOM 0 HD3 LYS A 39 80.078 7.194 -18.379 1.00 0.00 H new ATOM 0 HE2 LYS A 39 80.879 8.675 -15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 39 81.605 9.013 -17.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 79.770 10.507 -16.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 79.403 9.528 -18.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 78.699 9.200 -16.781 1.00 0.00 H new ATOM 617 N MET A 40 76.943 4.614 -15.173 1.00 0.00 N ATOM 618 CA MET A 40 75.715 3.907 -15.549 1.00 0.00 C ATOM 619 C MET A 40 75.837 3.236 -16.925 1.00 0.00 C ATOM 620 O MET A 40 75.145 2.258 -17.206 1.00 0.00 O ATOM 621 CB MET A 40 74.526 4.869 -15.550 1.00 0.00 C ATOM 622 CG MET A 40 73.703 4.818 -14.272 1.00 0.00 C ATOM 623 SD MET A 40 72.162 5.758 -14.383 1.00 0.00 S ATOM 624 CE MET A 40 71.536 5.257 -15.989 1.00 0.00 C ATOM 0 H MET A 40 76.845 5.628 -15.120 1.00 0.00 H new ATOM 0 HA MET A 40 75.553 3.125 -14.807 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.891 5.885 -15.697 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.881 4.636 -16.397 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.472 3.779 -14.037 1.00 0.00 H new ATOM 0 HG3 MET A 40 74.300 5.206 -13.447 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.457 5.410 -16.023 1.00 0.00 H new ATOM 0 HE2 MET A 40 72.012 5.854 -16.767 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.758 4.203 -16.153 1.00 0.00 H new ATOM 634 N THR A 41 76.714 3.760 -17.786 1.00 0.00 N ATOM 635 CA THR A 41 76.902 3.199 -19.122 1.00 0.00 C ATOM 636 C THR A 41 77.976 2.107 -19.143 1.00 0.00 C ATOM 637 O THR A 41 78.959 2.202 -19.877 1.00 0.00 O ATOM 638 CB THR A 41 77.286 4.289 -20.139 1.00 0.00 C ATOM 639 OG1 THR A 41 76.775 5.561 -19.720 1.00 0.00 O ATOM 640 CG2 THR A 41 76.747 3.949 -21.516 1.00 0.00 C ATOM 0 H THR A 41 77.301 4.568 -17.581 1.00 0.00 H new ATOM 0 HA THR A 41 75.945 2.758 -19.401 1.00 0.00 H new ATOM 0 HB THR A 41 78.374 4.340 -20.190 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.027 6.246 -20.374 1.00 0.00 H new ATOM 0 HG21 THR A 41 77.029 4.731 -22.220 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.164 2.997 -21.845 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.660 3.874 -21.473 1.00 0.00 H new ATOM 648 N THR A 42 77.788 1.071 -18.328 1.00 0.00 N ATOM 649 CA THR A 42 78.750 -0.028 -18.266 1.00 0.00 C ATOM 650 C THR A 42 78.056 -1.394 -18.226 1.00 0.00 C ATOM 651 O THR A 42 76.872 -1.494 -17.903 1.00 0.00 O ATOM 652 CB THR A 42 79.692 0.116 -17.052 1.00 0.00 C ATOM 653 OG1 THR A 42 80.849 -0.712 -17.230 1.00 0.00 O ATOM 654 CG2 THR A 42 78.994 -0.258 -15.749 1.00 0.00 C ATOM 0 H THR A 42 76.986 0.969 -17.706 1.00 0.00 H new ATOM 0 HA THR A 42 79.343 0.027 -19.179 1.00 0.00 H new ATOM 0 HB THR A 42 79.990 1.162 -16.988 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.443 -0.614 -16.457 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.690 -0.144 -14.918 1.00 0.00 H new ATOM 0 HG22 THR A 42 78.135 0.395 -15.596 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.657 -1.293 -15.801 1.00 0.00 H new ATOM 662 N HIS A 43 78.803 -2.440 -18.575 1.00 0.00 N ATOM 663 CA HIS A 43 78.272 -3.805 -18.580 1.00 0.00 C ATOM 664 C HIS A 43 78.149 -4.354 -17.156 1.00 0.00 C ATOM 665 O HIS A 43 78.940 -4.003 -16.277 1.00 0.00 O ATOM 666 CB HIS A 43 79.177 -4.719 -19.411 1.00 0.00 C ATOM 667 CG HIS A 43 78.748 -4.855 -20.841 1.00 0.00 C ATOM 668 ND1 HIS A 43 77.849 -4.154 -21.571 1.00 0.00 N flip ATOM 669 CD2 HIS A 43 79.260 -5.811 -21.692 1.00 0.00 C flip ATOM 670 CE1 HIS A 43 77.836 -4.693 -22.836 1.00 0.00 C flip ATOM 671 NE2 HIS A 43 78.699 -5.692 -22.882 1.00 0.00 N flip ATOM 0 H HIS A 43 79.780 -2.370 -18.859 1.00 0.00 H new ATOM 0 HA HIS A 43 77.277 -3.778 -19.025 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.195 -4.331 -19.382 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.199 -5.708 -18.952 1.00 0.00 H new ATOM 0 HD2 HIS A 43 80.006 -6.545 -21.426 1.00 0.00 H new ATOM 0 HE1 HIS A 43 77.221 -4.355 -23.657 1.00 0.00 H new ATOM 0 HE2 HIS A 43 78.898 -6.272 -23.697 1.00 0.00 H new ATOM 679 N LEU A 44 77.167 -5.230 -16.935 1.00 0.00 N ATOM 680 CA LEU A 44 76.945 -5.821 -15.612 1.00 0.00 C ATOM 681 C LEU A 44 78.105 -6.725 -15.156 1.00 0.00 C ATOM 682 O LEU A 44 78.184 -7.077 -13.978 1.00 0.00 O ATOM 683 CB LEU A 44 75.627 -6.601 -15.595 1.00 0.00 C ATOM 684 CG LEU A 44 74.482 -5.933 -14.820 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.777 -5.915 -13.331 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.233 -4.519 -15.326 1.00 0.00 C ATOM 0 H LEU A 44 76.514 -5.546 -17.652 1.00 0.00 H new ATOM 0 HA LEU A 44 76.892 -4.995 -14.903 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.304 -6.760 -16.624 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.811 -7.585 -15.163 1.00 0.00 H new ATOM 0 HG LEU A 44 73.579 -6.521 -14.987 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.952 -5.437 -12.802 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.895 -6.937 -12.971 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.696 -5.358 -13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.417 -4.069 -14.760 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.136 -3.922 -15.198 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.967 -4.552 -16.383 1.00 0.00 H new ATOM 698 N LYS A 45 78.992 -7.105 -16.086 1.00 0.00 N ATOM 699 CA LYS A 45 80.148 -7.958 -15.775 1.00 0.00 C ATOM 700 C LYS A 45 80.949 -7.435 -14.578 1.00 0.00 C ATOM 701 O LYS A 45 81.214 -8.172 -13.628 1.00 0.00 O ATOM 702 CB LYS A 45 81.072 -8.051 -16.993 1.00 0.00 C ATOM 703 CG LYS A 45 80.815 -9.263 -17.872 1.00 0.00 C ATOM 704 CD LYS A 45 82.094 -9.754 -18.535 1.00 0.00 C ATOM 705 CE LYS A 45 82.354 -11.225 -18.237 1.00 0.00 C ATOM 706 NZ LYS A 45 83.579 -11.416 -17.413 1.00 0.00 N ATOM 0 H LYS A 45 78.930 -6.833 -17.067 1.00 0.00 H new ATOM 0 HA LYS A 45 79.759 -8.943 -15.517 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.957 -7.149 -17.593 1.00 0.00 H new ATOM 0 HB3 LYS A 45 82.106 -8.076 -16.650 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.385 -10.064 -17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.082 -9.009 -18.637 1.00 0.00 H new ATOM 0 HD2 LYS A 45 82.024 -9.608 -19.613 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.937 -9.157 -18.186 1.00 0.00 H new ATOM 0 HE2 LYS A 45 81.495 -11.647 -17.714 1.00 0.00 H new ATOM 0 HE3 LYS A 45 82.458 -11.772 -19.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 83.856 -12.418 -17.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 84.352 -10.837 -17.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 83.387 -11.126 -16.433 1.00 0.00 H new ATOM 720 N LYS A 46 81.326 -6.157 -14.628 1.00 0.00 N ATOM 721 CA LYS A 46 82.104 -5.539 -13.554 1.00 0.00 C ATOM 722 C LYS A 46 81.283 -5.391 -12.269 1.00 0.00 C ATOM 723 O LYS A 46 81.822 -5.488 -11.168 1.00 0.00 O ATOM 724 CB LYS A 46 82.623 -4.168 -13.999 1.00 0.00 C ATOM 725 CG LYS A 46 83.751 -4.244 -15.018 1.00 0.00 C ATOM 726 CD LYS A 46 85.012 -4.846 -14.415 1.00 0.00 C ATOM 727 CE LYS A 46 85.402 -6.142 -15.110 1.00 0.00 C ATOM 728 NZ LYS A 46 86.116 -7.073 -14.193 1.00 0.00 N ATOM 0 H LYS A 46 81.105 -5.529 -15.401 1.00 0.00 H new ATOM 0 HA LYS A 46 82.946 -6.197 -13.339 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.798 -3.597 -14.425 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.972 -3.619 -13.124 1.00 0.00 H new ATOM 0 HG2 LYS A 46 83.432 -4.844 -15.870 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.969 -3.245 -15.396 1.00 0.00 H new ATOM 0 HD2 LYS A 46 85.830 -4.130 -14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.854 -5.035 -13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 46 84.507 -6.629 -15.497 1.00 0.00 H new ATOM 0 HE3 LYS A 46 86.038 -5.917 -15.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 86.874 -7.559 -14.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 86.528 -6.535 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.446 -7.776 -13.821 1.00 0.00 H new ATOM 742 N LEU A 47 79.983 -5.164 -12.420 1.00 0.00 N ATOM 743 CA LEU A 47 79.085 -5.004 -11.273 1.00 0.00 C ATOM 744 C LEU A 47 78.922 -6.319 -10.505 1.00 0.00 C ATOM 745 O LEU A 47 79.066 -6.357 -9.282 1.00 0.00 O ATOM 746 CB LEU A 47 77.716 -4.505 -11.747 1.00 0.00 C ATOM 747 CG LEU A 47 77.339 -3.087 -11.309 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.748 -3.102 -9.909 1.00 0.00 C ATOM 749 CD2 LEU A 47 78.544 -2.160 -11.373 1.00 0.00 C ATOM 0 H LEU A 47 79.523 -5.086 -13.327 1.00 0.00 H new ATOM 0 HA LEU A 47 79.527 -4.271 -10.599 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.691 -4.548 -12.836 1.00 0.00 H new ATOM 0 HB3 LEU A 47 76.953 -5.193 -11.383 1.00 0.00 H new ATOM 0 HG LEU A 47 76.585 -2.707 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.486 -2.086 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 47 75.854 -3.725 -9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 47 77.480 -3.506 -9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 47 78.250 -1.159 -11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 47 79.326 -2.534 -10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 47 78.920 -2.122 -12.395 1.00 0.00 H new ATOM 761 N LYS A 48 78.628 -7.394 -11.233 1.00 0.00 N ATOM 762 CA LYS A 48 78.445 -8.715 -10.629 1.00 0.00 C ATOM 763 C LYS A 48 79.754 -9.246 -10.032 1.00 0.00 C ATOM 764 O LYS A 48 79.763 -9.804 -8.936 1.00 0.00 O ATOM 765 CB LYS A 48 77.912 -9.701 -11.673 1.00 0.00 C ATOM 766 CG LYS A 48 76.467 -10.115 -11.451 1.00 0.00 C ATOM 767 CD LYS A 48 75.553 -9.576 -12.542 1.00 0.00 C ATOM 768 CE LYS A 48 74.634 -10.656 -13.089 1.00 0.00 C ATOM 769 NZ LYS A 48 74.415 -10.506 -14.553 1.00 0.00 N ATOM 0 H LYS A 48 78.511 -7.377 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 48 77.721 -8.614 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 48 78.003 -9.251 -12.662 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.539 -10.592 -11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.400 -11.203 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.129 -9.751 -10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.955 -8.756 -12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.156 -9.166 -13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.064 -11.637 -12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 48 73.675 -10.614 -12.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 73.487 -10.900 -14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 74.445 -9.498 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 75.160 -11.015 -15.069 1.00 0.00 H new ATOM 783 N GLU A 49 80.857 -9.055 -10.756 1.00 0.00 N ATOM 784 CA GLU A 49 82.170 -9.521 -10.301 1.00 0.00 C ATOM 785 C GLU A 49 82.670 -8.745 -9.076 1.00 0.00 C ATOM 786 O GLU A 49 83.471 -9.261 -8.298 1.00 0.00 O ATOM 787 CB GLU A 49 83.195 -9.397 -11.432 1.00 0.00 C ATOM 788 CG GLU A 49 83.194 -10.576 -12.395 1.00 0.00 C ATOM 789 CD GLU A 49 83.799 -10.230 -13.745 1.00 0.00 C ATOM 790 OE1 GLU A 49 84.699 -9.358 -13.789 1.00 0.00 O ATOM 791 OE2 GLU A 49 83.378 -10.829 -14.759 1.00 0.00 O ATOM 0 H GLU A 49 80.869 -8.581 -11.659 1.00 0.00 H new ATOM 0 HA GLU A 49 82.055 -10.566 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.996 -8.483 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 49 84.190 -9.295 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.751 -11.402 -11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.170 -10.922 -12.538 1.00 0.00 H new ATOM 798 N SER A 50 82.190 -7.516 -8.903 1.00 0.00 N ATOM 799 CA SER A 50 82.607 -6.680 -7.771 1.00 0.00 C ATOM 800 C SER A 50 81.928 -7.122 -6.476 1.00 0.00 C ATOM 801 O SER A 50 82.578 -7.259 -5.438 1.00 0.00 O ATOM 802 CB SER A 50 82.289 -5.208 -8.051 1.00 0.00 C ATOM 803 OG SER A 50 81.895 -4.531 -6.868 1.00 0.00 O ATOM 0 H SER A 50 81.515 -7.075 -9.527 1.00 0.00 H new ATOM 0 HA SER A 50 83.684 -6.797 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 50 83.165 -4.719 -8.477 1.00 0.00 H new ATOM 0 HB3 SER A 50 81.494 -5.140 -8.793 1.00 0.00 H new ATOM 0 HG SER A 50 82.217 -3.606 -6.898 1.00 0.00 H new ATOM 809 N TYR A 51 80.618 -7.349 -6.549 1.00 0.00 N ATOM 810 CA TYR A 51 79.840 -7.777 -5.379 1.00 0.00 C ATOM 811 C TYR A 51 80.383 -9.084 -4.772 1.00 0.00 C ATOM 812 O TYR A 51 80.498 -9.207 -3.551 1.00 0.00 O ATOM 813 CB TYR A 51 78.352 -7.942 -5.747 1.00 0.00 C ATOM 814 CG TYR A 51 77.639 -9.004 -4.944 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.261 -8.775 -3.628 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.360 -10.244 -5.501 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.628 -9.753 -2.888 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.725 -11.225 -4.767 1.00 0.00 C ATOM 819 CZ TYR A 51 76.361 -10.976 -3.461 1.00 0.00 C ATOM 820 OH TYR A 51 75.730 -11.954 -2.727 1.00 0.00 O ATOM 0 H TYR A 51 80.070 -7.245 -7.403 1.00 0.00 H new ATOM 0 HA TYR A 51 79.937 -6.996 -4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 51 77.844 -6.989 -5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.274 -8.187 -6.806 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.466 -7.816 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.644 -10.444 -6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.343 -9.560 -1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.514 -12.185 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 51 74.768 -11.934 -2.914 1.00 0.00 H new ATOM 830 N CYS A 52 80.745 -10.048 -5.622 1.00 0.00 N ATOM 831 CA CYS A 52 81.252 -11.339 -5.141 1.00 0.00 C ATOM 832 C CYS A 52 82.665 -11.193 -4.594 1.00 0.00 C ATOM 833 O CYS A 52 83.086 -11.947 -3.715 1.00 0.00 O ATOM 834 CB CYS A 52 81.238 -12.386 -6.262 1.00 0.00 C ATOM 835 SG CYS A 52 79.681 -12.474 -7.177 1.00 0.00 S ATOM 0 H CYS A 52 80.698 -9.963 -6.637 1.00 0.00 H new ATOM 0 HA CYS A 52 80.594 -11.675 -4.339 1.00 0.00 H new ATOM 0 HB2 CYS A 52 82.045 -12.164 -6.961 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.449 -13.365 -5.832 1.00 0.00 H new ATOM 0 HG CYS A 52 79.562 -11.423 -7.932 1.00 0.00 H new ATOM 841 N GLN A 53 83.380 -10.206 -5.116 1.00 0.00 N ATOM 842 CA GLN A 53 84.751 -9.931 -4.705 1.00 0.00 C ATOM 843 C GLN A 53 84.805 -9.270 -3.330 1.00 0.00 C ATOM 844 O GLN A 53 85.663 -9.594 -2.508 1.00 0.00 O ATOM 845 CB GLN A 53 85.413 -9.027 -5.740 1.00 0.00 C ATOM 846 CG GLN A 53 86.504 -9.703 -6.539 1.00 0.00 C ATOM 847 CD GLN A 53 86.184 -11.143 -6.908 1.00 0.00 C ATOM 848 OE1 GLN A 53 86.869 -12.070 -6.487 1.00 0.00 O ATOM 849 NE2 GLN A 53 85.143 -11.340 -7.700 1.00 0.00 N ATOM 0 H GLN A 53 83.027 -9.574 -5.835 1.00 0.00 H new ATOM 0 HA GLN A 53 85.285 -10.879 -4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 53 84.650 -8.658 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.833 -8.158 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 53 86.681 -9.133 -7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 53 87.430 -9.681 -5.965 1.00 0.00 H new ATOM 0 HE21 GLN A 53 84.596 -10.545 -8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 53 84.887 -12.287 -7.980 1.00 0.00 H new ATOM 858 N ARG A 54 83.888 -8.338 -3.089 1.00 0.00 N ATOM 859 CA ARG A 54 83.833 -7.625 -1.815 1.00 0.00 C ATOM 860 C ARG A 54 83.402 -8.545 -0.668 1.00 0.00 C ATOM 861 O ARG A 54 83.927 -8.451 0.442 1.00 0.00 O ATOM 862 CB ARG A 54 82.875 -6.435 -1.916 1.00 0.00 C ATOM 863 CG ARG A 54 83.477 -5.123 -1.440 1.00 0.00 C ATOM 864 CD ARG A 54 83.511 -5.041 0.080 1.00 0.00 C ATOM 865 NE ARG A 54 84.741 -4.422 0.569 1.00 0.00 N ATOM 866 CZ ARG A 54 85.744 -5.092 1.119 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.689 -6.397 1.257 1.00 0.00 N ATOM 868 NH2 ARG A 54 86.808 -4.452 1.533 1.00 0.00 N ATOM 0 H ARG A 54 83.172 -8.058 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 54 84.838 -7.265 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.557 -6.323 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 54 81.982 -6.649 -1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.489 -5.022 -1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 54 82.896 -4.290 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 54 82.653 -4.468 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.418 -6.043 0.499 1.00 0.00 H new ATOM 0 HE ARG A 54 84.834 -3.410 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.866 -6.909 0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.469 -6.898 1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.865 -3.439 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.580 -4.967 1.956 1.00 0.00 H new ATOM 882 N GLN A 55 82.432 -9.418 -0.935 1.00 0.00 N ATOM 883 CA GLN A 55 81.941 -10.356 0.084 1.00 0.00 C ATOM 884 C GLN A 55 82.860 -11.574 0.239 1.00 0.00 C ATOM 885 O GLN A 55 83.201 -11.961 1.357 1.00 0.00 O ATOM 886 CB GLN A 55 80.514 -10.822 -0.235 1.00 0.00 C ATOM 887 CG GLN A 55 79.526 -9.683 -0.437 1.00 0.00 C ATOM 888 CD GLN A 55 78.706 -9.392 0.807 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.520 -9.704 0.870 1.00 0.00 O ATOM 890 NE2 GLN A 55 79.333 -8.790 1.804 1.00 0.00 N ATOM 0 H GLN A 55 81.970 -9.499 -1.841 1.00 0.00 H new ATOM 0 HA GLN A 55 81.937 -9.813 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.535 -11.436 -1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.160 -11.458 0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.069 -8.784 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 55 78.855 -9.931 -1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 55 80.319 -8.547 1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 55 78.830 -8.569 2.663 1.00 0.00 H new ATOM 899 N GLY A 56 83.252 -12.182 -0.880 1.00 0.00 N ATOM 900 CA GLY A 56 84.118 -13.349 -0.826 1.00 0.00 C ATOM 901 C GLY A 56 83.354 -14.650 -1.018 1.00 0.00 C ATOM 902 O GLY A 56 83.600 -15.633 -0.319 1.00 0.00 O ATOM 0 H GLY A 56 82.986 -11.888 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 56 84.885 -13.265 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.632 -13.372 0.135 1.00 0.00 H new ATOM 906 N VAL A 57 82.430 -14.656 -1.974 1.00 0.00 N ATOM 907 CA VAL A 57 81.620 -15.843 -2.255 1.00 0.00 C ATOM 908 C VAL A 57 81.706 -16.236 -3.733 1.00 0.00 C ATOM 909 O VAL A 57 81.897 -15.379 -4.598 1.00 0.00 O ATOM 910 CB VAL A 57 80.133 -15.630 -1.877 1.00 0.00 C ATOM 911 CG1 VAL A 57 79.857 -16.159 -0.478 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.741 -14.161 -1.982 1.00 0.00 C ATOM 0 H VAL A 57 82.221 -13.854 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 57 82.027 -16.646 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 57 79.524 -16.190 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 57 78.808 -16.001 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.082 -17.225 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.484 -15.631 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.692 -14.044 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.359 -13.570 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.892 -13.816 -3.005 1.00 0.00 H new ATOM 922 N PRO A 58 81.572 -17.545 -4.042 1.00 0.00 N ATOM 923 CA PRO A 58 81.631 -18.048 -5.425 1.00 0.00 C ATOM 924 C PRO A 58 80.516 -17.483 -6.307 1.00 0.00 C ATOM 925 O PRO A 58 79.364 -17.378 -5.880 1.00 0.00 O ATOM 926 CB PRO A 58 81.465 -19.566 -5.271 1.00 0.00 C ATOM 927 CG PRO A 58 81.788 -19.854 -3.846 1.00 0.00 C ATOM 928 CD PRO A 58 81.369 -18.636 -3.074 1.00 0.00 C ATOM 0 HA PRO A 58 82.559 -17.754 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.449 -19.877 -5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.133 -20.105 -5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.257 -20.740 -3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.853 -20.050 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.330 -18.701 -2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 58 81.974 -18.498 -2.178 1.00 0.00 H new ATOM 936 N MET A 59 80.865 -17.143 -7.547 1.00 0.00 N ATOM 937 CA MET A 59 79.904 -16.580 -8.499 1.00 0.00 C ATOM 938 C MET A 59 78.818 -17.588 -8.881 1.00 0.00 C ATOM 939 O MET A 59 77.675 -17.215 -9.133 1.00 0.00 O ATOM 940 CB MET A 59 80.631 -16.103 -9.759 1.00 0.00 C ATOM 941 CG MET A 59 81.318 -14.756 -9.592 1.00 0.00 C ATOM 942 SD MET A 59 81.422 -13.833 -11.138 1.00 0.00 S ATOM 943 CE MET A 59 79.814 -13.047 -11.173 1.00 0.00 C ATOM 0 H MET A 59 81.809 -17.248 -7.918 1.00 0.00 H new ATOM 0 HA MET A 59 79.418 -15.735 -8.011 1.00 0.00 H new ATOM 0 HB2 MET A 59 81.374 -16.848 -10.044 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.915 -16.037 -10.579 1.00 0.00 H new ATOM 0 HG2 MET A 59 80.774 -14.164 -8.856 1.00 0.00 H new ATOM 0 HG3 MET A 59 82.322 -14.911 -9.198 1.00 0.00 H new ATOM 0 HE1 MET A 59 79.656 -12.586 -12.148 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.040 -13.794 -10.995 1.00 0.00 H new ATOM 0 HE3 MET A 59 79.766 -12.282 -10.398 1.00 0.00 H new ATOM 953 N ASN A 60 79.176 -18.869 -8.910 1.00 0.00 N ATOM 954 CA ASN A 60 78.230 -19.930 -9.265 1.00 0.00 C ATOM 955 C ASN A 60 77.435 -20.415 -8.046 1.00 0.00 C ATOM 956 O ASN A 60 77.017 -21.570 -7.984 1.00 0.00 O ATOM 957 CB ASN A 60 78.971 -21.110 -9.903 1.00 0.00 C ATOM 958 CG ASN A 60 80.214 -20.684 -10.662 1.00 0.00 C ATOM 959 OD1 ASN A 60 81.251 -20.393 -10.069 1.00 0.00 O ATOM 960 ND2 ASN A 60 80.121 -20.647 -11.980 1.00 0.00 N ATOM 0 H ASN A 60 80.116 -19.201 -8.692 1.00 0.00 H new ATOM 0 HA ASN A 60 77.524 -19.512 -9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.252 -21.820 -9.125 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.297 -21.632 -10.583 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.927 -20.370 -12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.243 -20.896 -12.437 1.00 0.00 H new ATOM 967 N SER A 61 77.226 -19.525 -7.078 1.00 0.00 N ATOM 968 CA SER A 61 76.482 -19.869 -5.863 1.00 0.00 C ATOM 969 C SER A 61 75.318 -18.902 -5.613 1.00 0.00 C ATOM 970 O SER A 61 74.364 -19.237 -4.912 1.00 0.00 O ATOM 971 CB SER A 61 77.418 -19.884 -4.651 1.00 0.00 C ATOM 972 OG SER A 61 77.712 -18.570 -4.208 1.00 0.00 O ATOM 0 H SER A 61 77.560 -18.562 -7.109 1.00 0.00 H new ATOM 0 HA SER A 61 76.063 -20.865 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 61 76.957 -20.448 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.344 -20.398 -4.911 1.00 0.00 H new ATOM 0 HG SER A 61 78.549 -18.266 -4.618 1.00 0.00 H new ATOM 978 N LEU A 62 75.398 -17.704 -6.189 1.00 0.00 N ATOM 979 CA LEU A 62 74.344 -16.700 -6.014 1.00 0.00 C ATOM 980 C LEU A 62 73.898 -16.122 -7.357 1.00 0.00 C ATOM 981 O LEU A 62 74.677 -16.064 -8.309 1.00 0.00 O ATOM 982 CB LEU A 62 74.817 -15.566 -5.095 1.00 0.00 C ATOM 983 CG LEU A 62 76.243 -15.701 -4.553 1.00 0.00 C ATOM 984 CD1 LEU A 62 77.166 -14.676 -5.196 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.254 -15.552 -3.040 1.00 0.00 C ATOM 0 H LEU A 62 76.175 -17.404 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 62 73.493 -17.200 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.743 -14.626 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.132 -15.498 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 62 76.610 -16.696 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 62 78.173 -14.791 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 62 77.185 -14.830 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.802 -13.672 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.275 -15.651 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.864 -14.571 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.631 -16.327 -2.594 1.00 0.00 H new ATOM 997 N ARG A 63 72.641 -15.694 -7.429 1.00 0.00 N ATOM 998 CA ARG A 63 72.100 -15.118 -8.659 1.00 0.00 C ATOM 999 C ARG A 63 71.671 -13.661 -8.454 1.00 0.00 C ATOM 1000 O ARG A 63 71.130 -13.299 -7.407 1.00 0.00 O ATOM 1001 CB ARG A 63 70.920 -15.954 -9.173 1.00 0.00 C ATOM 1002 CG ARG A 63 69.781 -16.110 -8.173 1.00 0.00 C ATOM 1003 CD ARG A 63 68.635 -16.925 -8.753 1.00 0.00 C ATOM 1004 NE ARG A 63 67.369 -16.197 -8.713 1.00 0.00 N ATOM 1005 CZ ARG A 63 66.182 -16.778 -8.645 1.00 0.00 C ATOM 1006 NH1 ARG A 63 66.077 -18.083 -8.591 1.00 0.00 N ATOM 1007 NH2 ARG A 63 65.094 -16.048 -8.625 1.00 0.00 N ATOM 0 H ARG A 63 71.979 -15.734 -6.654 1.00 0.00 H new ATOM 0 HA ARG A 63 72.893 -15.132 -9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.531 -15.493 -10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.284 -16.944 -9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.152 -16.595 -7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.416 -15.126 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.866 -17.193 -9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.535 -17.857 -8.196 1.00 0.00 H new ATOM 0 HE ARG A 63 67.402 -15.178 -8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 63 66.916 -18.663 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 63 65.156 -18.519 -8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 63 65.162 -15.031 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 63 64.180 -16.497 -8.573 1.00 0.00 H new ATOM 1021 N LEU A 64 71.923 -12.834 -9.465 1.00 0.00 N ATOM 1022 CA LEU A 64 71.570 -11.412 -9.411 1.00 0.00 C ATOM 1023 C LEU A 64 70.343 -11.130 -10.284 1.00 0.00 C ATOM 1024 O LEU A 64 70.383 -11.298 -11.503 1.00 0.00 O ATOM 1025 CB LEU A 64 72.761 -10.550 -9.860 1.00 0.00 C ATOM 1026 CG LEU A 64 73.484 -9.807 -8.732 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.763 -10.534 -8.345 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.789 -8.375 -9.146 1.00 0.00 C ATOM 0 H LEU A 64 72.371 -13.122 -10.335 1.00 0.00 H new ATOM 0 HA LEU A 64 71.324 -11.154 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.480 -11.189 -10.373 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.408 -9.820 -10.588 1.00 0.00 H new ATOM 0 HG LEU A 64 72.827 -9.782 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.262 -9.991 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.521 -11.541 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.424 -10.592 -9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.303 -7.863 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.425 -8.380 -10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 72.858 -7.855 -9.372 1.00 0.00 H new ATOM 1040 N LEU A 65 69.251 -10.700 -9.651 1.00 0.00 N ATOM 1041 CA LEU A 65 68.006 -10.422 -10.376 1.00 0.00 C ATOM 1042 C LEU A 65 67.274 -9.182 -9.840 1.00 0.00 C ATOM 1043 O LEU A 65 67.489 -8.757 -8.705 1.00 0.00 O ATOM 1044 CB LEU A 65 67.084 -11.674 -10.393 1.00 0.00 C ATOM 1045 CG LEU A 65 66.271 -12.035 -9.120 1.00 0.00 C ATOM 1046 CD1 LEU A 65 67.068 -11.856 -7.835 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.973 -11.242 -9.055 1.00 0.00 C ATOM 0 H LEU A 65 69.201 -10.537 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 65 68.279 -10.190 -11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.374 -11.547 -11.210 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.705 -12.535 -10.641 1.00 0.00 H new ATOM 0 HG LEU A 65 66.034 -13.096 -9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.446 -12.124 -6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.947 -12.500 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.382 -10.816 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.424 -11.515 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.199 -10.176 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.365 -11.466 -9.932 1.00 0.00 H new ATOM 1059 N PHE A 66 66.417 -8.596 -10.677 1.00 0.00 N ATOM 1060 CA PHE A 66 65.647 -7.413 -10.289 1.00 0.00 C ATOM 1061 C PHE A 66 64.162 -7.576 -10.632 1.00 0.00 C ATOM 1062 O PHE A 66 63.810 -7.807 -11.787 1.00 0.00 O ATOM 1063 CB PHE A 66 66.206 -6.157 -10.972 1.00 0.00 C ATOM 1064 CG PHE A 66 65.392 -4.918 -10.712 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.361 -4.345 -9.452 1.00 0.00 C ATOM 1066 CD2 PHE A 66 64.655 -4.333 -11.730 1.00 0.00 C ATOM 1067 CE1 PHE A 66 64.608 -3.212 -9.209 1.00 0.00 C ATOM 1068 CE2 PHE A 66 63.901 -3.199 -11.494 1.00 0.00 C ATOM 1069 CZ PHE A 66 63.877 -2.638 -10.232 1.00 0.00 C ATOM 0 H PHE A 66 66.238 -8.921 -11.627 1.00 0.00 H new ATOM 0 HA PHE A 66 65.738 -7.302 -9.209 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.227 -5.990 -10.628 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.256 -6.330 -12.047 1.00 0.00 H new ATOM 0 HD1 PHE A 66 65.932 -4.789 -8.650 1.00 0.00 H new ATOM 0 HD2 PHE A 66 64.670 -4.768 -12.718 1.00 0.00 H new ATOM 0 HE1 PHE A 66 64.591 -2.776 -8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 66 63.331 -2.752 -12.295 1.00 0.00 H new ATOM 0 HZ PHE A 66 63.288 -1.752 -10.045 1.00 0.00 H new ATOM 1079 N GLU A 67 63.309 -7.463 -9.604 1.00 0.00 N ATOM 1080 CA GLU A 67 61.836 -7.571 -9.731 1.00 0.00 C ATOM 1081 C GLU A 67 61.364 -8.809 -10.521 1.00 0.00 C ATOM 1082 O GLU A 67 60.270 -8.813 -11.089 1.00 0.00 O ATOM 1083 CB GLU A 67 61.246 -6.271 -10.325 1.00 0.00 C ATOM 1084 CG GLU A 67 61.335 -6.149 -11.843 1.00 0.00 C ATOM 1085 CD GLU A 67 59.985 -5.907 -12.494 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.128 -5.248 -11.863 1.00 0.00 O ATOM 1087 OE2 GLU A 67 59.785 -6.368 -13.638 1.00 0.00 O ATOM 0 H GLU A 67 63.619 -7.292 -8.647 1.00 0.00 H new ATOM 0 HA GLU A 67 61.454 -7.710 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.199 -6.200 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.761 -5.420 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.008 -5.331 -12.098 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.772 -7.060 -12.251 1.00 0.00 H new ATOM 1094 N GLY A 68 62.174 -9.865 -10.533 1.00 0.00 N ATOM 1095 CA GLY A 68 61.801 -11.080 -11.246 1.00 0.00 C ATOM 1096 C GLY A 68 62.452 -11.208 -12.618 1.00 0.00 C ATOM 1097 O GLY A 68 62.398 -12.271 -13.236 1.00 0.00 O ATOM 0 H GLY A 68 63.079 -9.903 -10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.075 -11.944 -10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.718 -11.104 -11.364 1.00 0.00 H new ATOM 1101 N GLN A 69 63.070 -10.133 -13.092 1.00 0.00 N ATOM 1102 CA GLN A 69 63.728 -10.139 -14.396 1.00 0.00 C ATOM 1103 C GLN A 69 65.202 -10.530 -14.267 1.00 0.00 C ATOM 1104 O GLN A 69 65.911 -10.056 -13.374 1.00 0.00 O ATOM 1105 CB GLN A 69 63.582 -8.759 -15.065 1.00 0.00 C ATOM 1106 CG GLN A 69 64.747 -8.361 -15.962 1.00 0.00 C ATOM 1107 CD GLN A 69 64.314 -8.069 -17.387 1.00 0.00 C ATOM 1108 OE1 GLN A 69 64.068 -8.978 -18.173 1.00 0.00 O ATOM 1109 NE2 GLN A 69 64.219 -6.794 -17.727 1.00 0.00 N ATOM 0 H GLN A 69 63.130 -9.245 -12.594 1.00 0.00 H new ATOM 0 HA GLN A 69 63.244 -10.886 -15.025 1.00 0.00 H new ATOM 0 HB2 GLN A 69 62.667 -8.752 -15.657 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.465 -8.004 -14.288 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.235 -7.479 -15.547 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.486 -9.162 -15.968 1.00 0.00 H new ATOM 0 HE21 GLN A 69 64.432 -6.067 -17.044 1.00 0.00 H new ATOM 0 HE22 GLN A 69 63.932 -6.538 -18.672 1.00 0.00 H new ATOM 1118 N ARG A 70 65.652 -11.412 -15.158 1.00 0.00 N ATOM 1119 CA ARG A 70 67.038 -11.870 -15.157 1.00 0.00 C ATOM 1120 C ARG A 70 67.928 -10.904 -15.941 1.00 0.00 C ATOM 1121 O ARG A 70 67.735 -10.699 -17.142 1.00 0.00 O ATOM 1122 CB ARG A 70 67.130 -13.275 -15.761 1.00 0.00 C ATOM 1123 CG ARG A 70 68.515 -13.898 -15.662 1.00 0.00 C ATOM 1124 CD ARG A 70 68.624 -15.160 -16.503 1.00 0.00 C ATOM 1125 NE ARG A 70 68.232 -16.353 -15.756 1.00 0.00 N ATOM 1126 CZ ARG A 70 67.944 -17.515 -16.320 1.00 0.00 C ATOM 1127 NH1 ARG A 70 68.000 -17.657 -17.622 1.00 0.00 N ATOM 1128 NH2 ARG A 70 67.599 -18.539 -15.578 1.00 0.00 N ATOM 0 H ARG A 70 65.074 -11.824 -15.891 1.00 0.00 H new ATOM 0 HA ARG A 70 67.388 -11.902 -14.125 1.00 0.00 H new ATOM 0 HB2 ARG A 70 66.413 -13.924 -15.258 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.837 -13.229 -16.810 1.00 0.00 H new ATOM 0 HG2 ARG A 70 69.263 -13.176 -15.990 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.734 -14.134 -14.621 1.00 0.00 H new ATOM 0 HD2 ARG A 70 67.993 -15.062 -17.386 1.00 0.00 H new ATOM 0 HD3 ARG A 70 69.649 -15.273 -16.855 1.00 0.00 H new ATOM 0 HE ARG A 70 68.177 -16.286 -14.740 1.00 0.00 H new ATOM 0 HH11 ARG A 70 68.267 -16.868 -18.210 1.00 0.00 H new ATOM 0 HH12 ARG A 70 67.776 -18.557 -18.047 1.00 0.00 H new ATOM 0 HH21 ARG A 70 67.552 -18.441 -14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 70 67.377 -19.434 -16.015 1.00 0.00 H new ATOM 1142 N ILE A 71 68.903 -10.313 -15.261 1.00 0.00 N ATOM 1143 CA ILE A 71 69.810 -9.365 -15.901 1.00 0.00 C ATOM 1144 C ILE A 71 71.132 -10.038 -16.278 1.00 0.00 C ATOM 1145 O ILE A 71 71.844 -10.573 -15.425 1.00 0.00 O ATOM 1146 CB ILE A 71 70.080 -8.137 -14.993 1.00 0.00 C ATOM 1147 CG1 ILE A 71 68.858 -7.215 -14.959 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.299 -7.359 -15.471 1.00 0.00 C ATOM 1149 CD1 ILE A 71 67.999 -7.394 -13.730 1.00 0.00 C ATOM 0 H ILE A 71 69.086 -10.472 -14.270 1.00 0.00 H new ATOM 0 HA ILE A 71 69.322 -9.017 -16.812 1.00 0.00 H new ATOM 0 HB ILE A 71 70.277 -8.506 -13.986 1.00 0.00 H new ATOM 0 HG12 ILE A 71 69.193 -6.179 -15.010 1.00 0.00 H new ATOM 0 HG13 ILE A 71 68.251 -7.397 -15.846 1.00 0.00 H new ATOM 0 HG21 ILE A 71 71.465 -6.504 -14.816 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.175 -8.007 -15.450 1.00 0.00 H new ATOM 0 HG23 ILE A 71 71.131 -7.009 -16.489 1.00 0.00 H new ATOM 0 HD11 ILE A 71 67.153 -6.709 -13.775 1.00 0.00 H new ATOM 0 HD12 ILE A 71 67.633 -8.420 -13.688 1.00 0.00 H new ATOM 0 HD13 ILE A 71 68.590 -7.183 -12.839 1.00 0.00 H new ATOM 1161 N ALA A 72 71.445 -10.019 -17.570 1.00 0.00 N ATOM 1162 CA ALA A 72 72.679 -10.617 -18.072 1.00 0.00 C ATOM 1163 C ALA A 72 73.872 -9.672 -17.899 1.00 0.00 C ATOM 1164 O ALA A 72 73.707 -8.468 -17.712 1.00 0.00 O ATOM 1165 CB ALA A 72 72.517 -11.007 -19.532 1.00 0.00 C ATOM 0 H ALA A 72 70.860 -9.595 -18.290 1.00 0.00 H new ATOM 0 HA ALA A 72 72.880 -11.513 -17.485 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.444 -11.452 -19.895 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.706 -11.729 -19.628 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.285 -10.120 -20.122 1.00 0.00 H new ATOM 1171 N ASP A 73 75.075 -10.230 -17.988 1.00 0.00 N ATOM 1172 CA ASP A 73 76.311 -9.468 -17.826 1.00 0.00 C ATOM 1173 C ASP A 73 76.547 -8.493 -18.987 1.00 0.00 C ATOM 1174 O ASP A 73 77.327 -7.548 -18.863 1.00 0.00 O ATOM 1175 CB ASP A 73 77.494 -10.431 -17.700 1.00 0.00 C ATOM 1176 CG ASP A 73 77.534 -11.132 -16.353 1.00 0.00 C ATOM 1177 OD1 ASP A 73 76.503 -11.724 -15.960 1.00 0.00 O ATOM 1178 OD2 ASP A 73 78.592 -11.088 -15.693 1.00 0.00 O ATOM 0 H ASP A 73 75.222 -11.222 -18.174 1.00 0.00 H new ATOM 0 HA ASP A 73 76.218 -8.872 -16.918 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.437 -11.177 -18.492 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.423 -9.881 -17.847 1.00 0.00 H new ATOM 1183 N ASN A 74 75.870 -8.724 -20.111 1.00 0.00 N ATOM 1184 CA ASN A 74 76.009 -7.856 -21.282 1.00 0.00 C ATOM 1185 C ASN A 74 74.995 -6.705 -21.251 1.00 0.00 C ATOM 1186 O ASN A 74 74.979 -5.858 -22.143 1.00 0.00 O ATOM 1187 CB ASN A 74 75.851 -8.663 -22.577 1.00 0.00 C ATOM 1188 CG ASN A 74 74.706 -9.660 -22.519 1.00 0.00 C ATOM 1189 OD1 ASN A 74 73.593 -9.326 -22.122 1.00 0.00 O ATOM 1190 ND2 ASN A 74 74.972 -10.892 -22.917 1.00 0.00 N ATOM 0 H ASN A 74 75.222 -9.502 -20.237 1.00 0.00 H new ATOM 0 HA ASN A 74 77.010 -7.426 -21.254 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.687 -7.977 -23.408 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.779 -9.196 -22.782 1.00 0.00 H new ATOM 0 HD21 ASN A 74 74.240 -11.602 -22.901 1.00 0.00 H new ATOM 0 HD22 ASN A 74 75.909 -11.132 -23.241 1.00 0.00 H new ATOM 1197 N HIS A 75 74.156 -6.683 -20.217 1.00 0.00 N ATOM 1198 CA HIS A 75 73.145 -5.638 -20.070 1.00 0.00 C ATOM 1199 C HIS A 75 73.715 -4.423 -19.344 1.00 0.00 C ATOM 1200 O HIS A 75 74.699 -4.527 -18.612 1.00 0.00 O ATOM 1201 CB HIS A 75 71.934 -6.165 -19.292 1.00 0.00 C ATOM 1202 CG HIS A 75 71.037 -7.070 -20.084 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.089 -7.884 -19.501 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.939 -7.285 -21.419 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.447 -8.558 -20.436 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.942 -8.214 -21.610 1.00 0.00 N ATOM 0 H HIS A 75 74.156 -7.377 -19.469 1.00 0.00 H new ATOM 0 HA HIS A 75 72.833 -5.340 -21.071 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.288 -6.703 -18.412 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.350 -5.317 -18.934 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.533 -6.815 -22.189 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.652 -9.270 -20.269 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.635 -8.578 -22.512 1.00 0.00 H new ATOM 1214 N THR A 76 73.094 -3.266 -19.561 1.00 0.00 N ATOM 1215 CA THR A 76 73.524 -2.025 -18.915 1.00 0.00 C ATOM 1216 C THR A 76 72.317 -1.276 -18.348 1.00 0.00 C ATOM 1217 O THR A 76 71.222 -1.338 -18.914 1.00 0.00 O ATOM 1218 CB THR A 76 74.288 -1.081 -19.880 1.00 0.00 C ATOM 1219 OG1 THR A 76 73.410 -0.060 -20.374 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.892 -1.842 -21.055 1.00 0.00 C ATOM 0 H THR A 76 72.290 -3.160 -20.180 1.00 0.00 H new ATOM 0 HA THR A 76 74.206 -2.314 -18.115 1.00 0.00 H new ATOM 0 HB THR A 76 75.101 -0.627 -19.314 1.00 0.00 H new ATOM 0 HG1 THR A 76 73.617 0.123 -21.314 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.419 -1.146 -21.708 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.592 -2.590 -20.683 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.098 -2.335 -21.616 1.00 0.00 H new ATOM 1228 N PRO A 77 72.490 -0.572 -17.209 1.00 0.00 N ATOM 1229 CA PRO A 77 71.407 0.199 -16.580 1.00 0.00 C ATOM 1230 C PRO A 77 70.825 1.266 -17.512 1.00 0.00 C ATOM 1231 O PRO A 77 69.626 1.550 -17.476 1.00 0.00 O ATOM 1232 CB PRO A 77 72.081 0.862 -15.376 1.00 0.00 C ATOM 1233 CG PRO A 77 73.291 0.036 -15.104 1.00 0.00 C ATOM 1234 CD PRO A 77 73.743 -0.491 -16.437 1.00 0.00 C ATOM 0 HA PRO A 77 70.565 -0.441 -16.316 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.350 1.895 -15.595 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.415 0.882 -14.513 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.073 0.633 -14.635 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.060 -0.781 -14.420 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.465 0.175 -16.910 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.222 -1.466 -16.343 1.00 0.00 H new ATOM 1242 N LYS A 78 71.684 1.845 -18.354 1.00 0.00 N ATOM 1243 CA LYS A 78 71.262 2.875 -19.302 1.00 0.00 C ATOM 1244 C LYS A 78 70.436 2.271 -20.448 1.00 0.00 C ATOM 1245 O LYS A 78 69.619 2.957 -21.066 1.00 0.00 O ATOM 1246 CB LYS A 78 72.490 3.630 -19.840 1.00 0.00 C ATOM 1247 CG LYS A 78 72.816 3.354 -21.306 1.00 0.00 C ATOM 1248 CD LYS A 78 72.760 4.623 -22.145 1.00 0.00 C ATOM 1249 CE LYS A 78 71.919 4.423 -23.396 1.00 0.00 C ATOM 1250 NZ LYS A 78 70.463 4.593 -23.121 1.00 0.00 N ATOM 0 H LYS A 78 72.677 1.617 -18.397 1.00 0.00 H new ATOM 0 HA LYS A 78 70.620 3.584 -18.779 1.00 0.00 H new ATOM 0 HB2 LYS A 78 72.326 4.700 -19.714 1.00 0.00 H new ATOM 0 HB3 LYS A 78 73.356 3.366 -19.233 1.00 0.00 H new ATOM 0 HG2 LYS A 78 73.810 2.912 -21.381 1.00 0.00 H new ATOM 0 HG3 LYS A 78 72.112 2.624 -21.704 1.00 0.00 H new ATOM 0 HD2 LYS A 78 72.343 5.436 -21.551 1.00 0.00 H new ATOM 0 HD3 LYS A 78 73.770 4.920 -22.427 1.00 0.00 H new ATOM 0 HE2 LYS A 78 72.230 5.136 -24.160 1.00 0.00 H new ATOM 0 HE3 LYS A 78 72.098 3.426 -23.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 69.935 4.567 -24.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 70.134 3.824 -22.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 70.303 5.507 -22.652 1.00 0.00 H new ATOM 1264 N GLU A 79 70.657 0.986 -20.728 1.00 0.00 N ATOM 1265 CA GLU A 79 69.923 0.293 -21.784 1.00 0.00 C ATOM 1266 C GLU A 79 68.600 -0.255 -21.251 1.00 0.00 C ATOM 1267 O GLU A 79 67.583 -0.230 -21.942 1.00 0.00 O ATOM 1268 CB GLU A 79 70.769 -0.846 -22.365 1.00 0.00 C ATOM 1269 CG GLU A 79 71.157 -0.640 -23.822 1.00 0.00 C ATOM 1270 CD GLU A 79 72.426 0.178 -23.984 1.00 0.00 C ATOM 1271 OE1 GLU A 79 73.223 0.241 -23.019 1.00 0.00 O ATOM 1272 OE2 GLU A 79 72.628 0.751 -25.074 1.00 0.00 O ATOM 0 H GLU A 79 71.338 0.406 -20.238 1.00 0.00 H new ATOM 0 HA GLU A 79 69.708 1.010 -22.576 1.00 0.00 H new ATOM 0 HB2 GLU A 79 71.675 -0.954 -21.769 1.00 0.00 H new ATOM 0 HB3 GLU A 79 70.215 -1.780 -22.275 1.00 0.00 H new ATOM 0 HG2 GLU A 79 71.293 -1.611 -24.298 1.00 0.00 H new ATOM 0 HG3 GLU A 79 70.340 -0.142 -24.344 1.00 0.00 H new ATOM 1279 N LEU A 80 68.626 -0.754 -20.015 1.00 0.00 N ATOM 1280 CA LEU A 80 67.419 -1.288 -19.374 1.00 0.00 C ATOM 1281 C LEU A 80 66.450 -0.169 -18.959 1.00 0.00 C ATOM 1282 O LEU A 80 65.269 -0.424 -18.725 1.00 0.00 O ATOM 1283 CB LEU A 80 67.795 -2.123 -18.142 1.00 0.00 C ATOM 1284 CG LEU A 80 68.431 -3.489 -18.433 1.00 0.00 C ATOM 1285 CD1 LEU A 80 68.718 -4.228 -17.135 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.529 -4.321 -19.333 1.00 0.00 C ATOM 0 H LEU A 80 69.465 -0.801 -19.437 1.00 0.00 H new ATOM 0 HA LEU A 80 66.915 -1.919 -20.106 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.487 -1.544 -17.530 1.00 0.00 H new ATOM 0 HB3 LEU A 80 66.897 -2.281 -17.545 1.00 0.00 H new ATOM 0 HG LEU A 80 69.374 -3.325 -18.954 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.169 -5.195 -17.359 1.00 0.00 H new ATOM 0 HD12 LEU A 80 69.404 -3.640 -16.526 1.00 0.00 H new ATOM 0 HD13 LEU A 80 67.787 -4.380 -16.589 1.00 0.00 H new ATOM 0 HD21 LEU A 80 67.998 -5.285 -19.527 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.569 -4.477 -18.841 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.373 -3.797 -20.276 1.00 0.00 H new ATOM 1298 N GLY A 81 66.951 1.068 -18.865 1.00 0.00 N ATOM 1299 CA GLY A 81 66.113 2.190 -18.475 1.00 0.00 C ATOM 1300 C GLY A 81 65.825 2.211 -16.985 1.00 0.00 C ATOM 1301 O GLY A 81 64.705 2.505 -16.564 1.00 0.00 O ATOM 0 H GLY A 81 67.924 1.309 -19.053 1.00 0.00 H new ATOM 0 HA2 GLY A 81 66.603 3.121 -18.760 1.00 0.00 H new ATOM 0 HA3 GLY A 81 65.172 2.144 -19.023 1.00 0.00 H new ATOM 1305 N MET A 82 66.839 1.909 -16.183 1.00 0.00 N ATOM 1306 CA MET A 82 66.678 1.878 -14.732 1.00 0.00 C ATOM 1307 C MET A 82 67.347 3.076 -14.053 1.00 0.00 C ATOM 1308 O MET A 82 68.567 3.237 -14.105 1.00 0.00 O ATOM 1309 CB MET A 82 67.251 0.575 -14.167 1.00 0.00 C ATOM 1310 CG MET A 82 66.196 -0.377 -13.635 1.00 0.00 C ATOM 1311 SD MET A 82 66.857 -1.535 -12.421 1.00 0.00 S ATOM 1312 CE MET A 82 67.712 -2.695 -13.485 1.00 0.00 C ATOM 0 H MET A 82 67.778 1.683 -16.510 1.00 0.00 H new ATOM 0 HA MET A 82 65.610 1.933 -14.522 1.00 0.00 H new ATOM 0 HB2 MET A 82 67.822 0.071 -14.947 1.00 0.00 H new ATOM 0 HB3 MET A 82 67.950 0.814 -13.365 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.389 0.198 -13.181 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.763 -0.935 -14.465 1.00 0.00 H new ATOM 0 HE1 MET A 82 68.174 -3.473 -12.878 1.00 0.00 H new ATOM 0 HE2 MET A 82 67.001 -3.148 -14.176 1.00 0.00 H new ATOM 0 HE3 MET A 82 68.483 -2.171 -14.050 1.00 0.00 H new ATOM 1322 N GLU A 83 66.535 3.903 -13.406 1.00 0.00 N ATOM 1323 CA GLU A 83 67.029 5.078 -12.689 1.00 0.00 C ATOM 1324 C GLU A 83 66.435 5.114 -11.279 1.00 0.00 C ATOM 1325 O GLU A 83 65.240 4.852 -11.109 1.00 0.00 O ATOM 1326 CB GLU A 83 66.691 6.369 -13.452 1.00 0.00 C ATOM 1327 CG GLU A 83 65.200 6.623 -13.622 1.00 0.00 C ATOM 1328 CD GLU A 83 64.853 8.099 -13.603 1.00 0.00 C ATOM 1329 OE1 GLU A 83 65.106 8.757 -12.571 1.00 0.00 O ATOM 1330 OE2 GLU A 83 64.328 8.601 -14.620 1.00 0.00 O ATOM 0 H GLU A 83 65.523 3.782 -13.362 1.00 0.00 H new ATOM 0 HA GLU A 83 68.114 5.009 -12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 83 67.134 7.215 -12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 83 67.155 6.327 -14.437 1.00 0.00 H new ATOM 0 HG2 GLU A 83 64.866 6.187 -14.564 1.00 0.00 H new ATOM 0 HG3 GLU A 83 64.656 6.116 -12.826 1.00 0.00 H new ATOM 1337 N GLU A 84 67.274 5.414 -10.273 1.00 0.00 N ATOM 1338 CA GLU A 84 66.848 5.462 -8.856 1.00 0.00 C ATOM 1339 C GLU A 84 66.544 4.055 -8.313 1.00 0.00 C ATOM 1340 O GLU A 84 67.070 3.652 -7.276 1.00 0.00 O ATOM 1341 CB GLU A 84 65.631 6.379 -8.669 1.00 0.00 C ATOM 1342 CG GLU A 84 65.972 7.861 -8.696 1.00 0.00 C ATOM 1343 CD GLU A 84 65.389 8.616 -7.515 1.00 0.00 C ATOM 1344 OE1 GLU A 84 64.174 8.908 -7.536 1.00 0.00 O ATOM 1345 OE2 GLU A 84 66.149 8.917 -6.569 1.00 0.00 O ATOM 0 H GLU A 84 68.261 5.629 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 84 67.679 5.876 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 84 64.904 6.168 -9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 84 65.152 6.143 -7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 84 67.055 7.981 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 84 65.600 8.299 -9.622 1.00 0.00 H new ATOM 1352 N GLU A 85 65.701 3.313 -9.031 1.00 0.00 N ATOM 1353 CA GLU A 85 65.329 1.947 -8.661 1.00 0.00 C ATOM 1354 C GLU A 85 66.371 0.940 -9.166 1.00 0.00 C ATOM 1355 O GLU A 85 66.164 -0.267 -9.091 1.00 0.00 O ATOM 1356 CB GLU A 85 63.944 1.596 -9.218 1.00 0.00 C ATOM 1357 CG GLU A 85 63.076 0.813 -8.245 1.00 0.00 C ATOM 1358 CD GLU A 85 61.641 0.677 -8.720 1.00 0.00 C ATOM 1359 OE1 GLU A 85 60.889 1.670 -8.627 1.00 0.00 O ATOM 1360 OE2 GLU A 85 61.270 -0.422 -9.185 1.00 0.00 O ATOM 0 H GLU A 85 65.256 3.643 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 85 65.294 1.891 -7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 85 63.428 2.516 -9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 85 64.066 1.014 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 85 63.503 -0.180 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 85 63.088 1.308 -7.274 1.00 0.00 H new ATOM 1367 N ASP A 86 67.479 1.463 -9.702 1.00 0.00 N ATOM 1368 CA ASP A 86 68.583 0.654 -10.248 1.00 0.00 C ATOM 1369 C ASP A 86 69.274 -0.254 -9.205 1.00 0.00 C ATOM 1370 O ASP A 86 70.369 -0.764 -9.454 1.00 0.00 O ATOM 1371 CB ASP A 86 69.620 1.582 -10.890 1.00 0.00 C ATOM 1372 CG ASP A 86 70.457 0.891 -11.952 1.00 0.00 C ATOM 1373 OD1 ASP A 86 69.960 -0.073 -12.569 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.610 1.317 -12.163 1.00 0.00 O ATOM 0 H ASP A 86 67.640 2.468 -9.771 1.00 0.00 H new ATOM 0 HA ASP A 86 68.141 -0.015 -10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 86 69.109 2.435 -11.336 1.00 0.00 H new ATOM 0 HB3 ASP A 86 70.278 1.974 -10.115 1.00 0.00 H new ATOM 1379 N VAL A 87 68.651 -0.454 -8.049 1.00 0.00 N ATOM 1380 CA VAL A 87 69.219 -1.308 -7.010 1.00 0.00 C ATOM 1381 C VAL A 87 68.905 -2.782 -7.310 1.00 0.00 C ATOM 1382 O VAL A 87 67.746 -3.167 -7.462 1.00 0.00 O ATOM 1383 CB VAL A 87 68.687 -0.917 -5.606 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.171 -0.768 -5.612 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.124 -1.928 -4.557 1.00 0.00 C ATOM 0 H VAL A 87 67.752 -0.037 -7.807 1.00 0.00 H new ATOM 0 HA VAL A 87 70.300 -1.167 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 87 69.118 0.050 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.828 -0.494 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 87 66.885 0.009 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.714 -1.713 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.738 -1.631 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.735 -2.913 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.213 -1.966 -4.520 1.00 0.00 H new ATOM 1395 N ILE A 88 69.947 -3.605 -7.403 1.00 0.00 N ATOM 1396 CA ILE A 88 69.769 -5.028 -7.709 1.00 0.00 C ATOM 1397 C ILE A 88 69.807 -5.886 -6.444 1.00 0.00 C ATOM 1398 O ILE A 88 70.448 -5.529 -5.454 1.00 0.00 O ATOM 1399 CB ILE A 88 70.837 -5.547 -8.704 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.448 -4.390 -9.510 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.222 -6.580 -9.641 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.547 -4.816 -10.460 1.00 0.00 C ATOM 0 H ILE A 88 70.917 -3.317 -7.273 1.00 0.00 H new ATOM 0 HA ILE A 88 68.786 -5.115 -8.172 1.00 0.00 H new ATOM 0 HB ILE A 88 71.636 -6.019 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.658 -3.901 -10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.847 -3.649 -8.817 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.981 -6.938 -10.336 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.839 -7.418 -9.058 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.405 -6.124 -10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.927 -3.944 -10.992 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.357 -5.278 -9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.150 -5.534 -11.178 1.00 0.00 H new ATOM 1414 N GLU A 89 69.119 -7.024 -6.491 1.00 0.00 N ATOM 1415 CA GLU A 89 69.065 -7.936 -5.346 1.00 0.00 C ATOM 1416 C GLU A 89 69.720 -9.277 -5.673 1.00 0.00 C ATOM 1417 O GLU A 89 69.549 -9.820 -6.766 1.00 0.00 O ATOM 1418 CB GLU A 89 67.614 -8.156 -4.895 1.00 0.00 C ATOM 1419 CG GLU A 89 67.493 -8.795 -3.519 1.00 0.00 C ATOM 1420 CD GLU A 89 66.327 -8.249 -2.717 1.00 0.00 C ATOM 1421 OE1 GLU A 89 66.352 -7.048 -2.369 1.00 0.00 O ATOM 1422 OE2 GLU A 89 65.386 -9.025 -2.435 1.00 0.00 O ATOM 0 H GLU A 89 68.592 -7.338 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 89 69.622 -7.473 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.095 -7.197 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.107 -8.787 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.376 -9.873 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.417 -8.631 -2.965 1.00 0.00 H new ATOM 1429 N VAL A 90 70.481 -9.801 -4.717 1.00 0.00 N ATOM 1430 CA VAL A 90 71.160 -11.079 -4.897 1.00 0.00 C ATOM 1431 C VAL A 90 70.583 -12.152 -3.974 1.00 0.00 C ATOM 1432 O VAL A 90 70.294 -11.894 -2.806 1.00 0.00 O ATOM 1433 CB VAL A 90 72.675 -10.959 -4.630 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.418 -12.133 -5.245 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.220 -9.641 -5.161 1.00 0.00 C ATOM 0 H VAL A 90 70.643 -9.361 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 90 71.000 -11.370 -5.935 1.00 0.00 H new ATOM 0 HB VAL A 90 72.832 -10.977 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.485 -12.032 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 90 73.054 -13.063 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.248 -12.147 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.290 -9.582 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 90 73.049 -9.583 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.712 -8.812 -4.668 1.00 0.00 H new ATOM 1445 N TYR A 91 70.427 -13.361 -4.506 1.00 0.00 N ATOM 1446 CA TYR A 91 69.893 -14.479 -3.728 1.00 0.00 C ATOM 1447 C TYR A 91 70.816 -15.694 -3.812 1.00 0.00 C ATOM 1448 O TYR A 91 71.377 -15.988 -4.868 1.00 0.00 O ATOM 1449 CB TYR A 91 68.487 -14.864 -4.209 1.00 0.00 C ATOM 1450 CG TYR A 91 67.390 -13.959 -3.687 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.420 -13.453 -4.540 1.00 0.00 C ATOM 1452 CD2 TYR A 91 67.327 -13.610 -2.342 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.416 -12.627 -4.071 1.00 0.00 C ATOM 1454 CE2 TYR A 91 66.325 -12.785 -1.865 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.374 -12.295 -2.734 1.00 0.00 C ATOM 1456 OH TYR A 91 64.376 -11.472 -2.264 1.00 0.00 O ATOM 0 H TYR A 91 70.662 -13.593 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 91 69.832 -14.154 -2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.470 -14.848 -5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.276 -15.888 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.450 -13.709 -5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 91 68.073 -13.990 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.668 -12.244 -4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 91 66.288 -12.526 -0.817 1.00 0.00 H new ATOM 0 HH TYR A 91 64.747 -10.586 -2.070 1.00 0.00 H new ATOM 1466 N GLN A 92 70.970 -16.393 -2.690 1.00 0.00 N ATOM 1467 CA GLN A 92 71.829 -17.577 -2.633 1.00 0.00 C ATOM 1468 C GLN A 92 71.094 -18.818 -3.142 1.00 0.00 C ATOM 1469 O GLN A 92 70.024 -19.169 -2.645 1.00 0.00 O ATOM 1470 CB GLN A 92 72.310 -17.808 -1.196 1.00 0.00 C ATOM 1471 CG GLN A 92 73.803 -18.077 -1.081 1.00 0.00 C ATOM 1472 CD GLN A 92 74.191 -18.665 0.263 1.00 0.00 C ATOM 1473 OE1 GLN A 92 74.362 -19.874 0.400 1.00 0.00 O ATOM 1474 NE2 GLN A 92 74.333 -17.814 1.264 1.00 0.00 N ATOM 0 H GLN A 92 70.513 -16.162 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 92 72.689 -17.402 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.061 -16.933 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 92 71.765 -18.652 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.107 -18.761 -1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.349 -17.146 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.182 -16.817 1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 92 74.593 -18.154 2.190 1.00 0.00 H new ATOM 1483 N GLU A 93 71.680 -19.483 -4.134 1.00 0.00 N ATOM 1484 CA GLU A 93 71.083 -20.685 -4.712 1.00 0.00 C ATOM 1485 C GLU A 93 72.140 -21.766 -4.939 1.00 0.00 C ATOM 1486 O GLU A 93 72.529 -22.047 -6.073 1.00 0.00 O ATOM 1487 CB GLU A 93 70.383 -20.348 -6.034 1.00 0.00 C ATOM 1488 CG GLU A 93 68.864 -20.375 -5.946 1.00 0.00 C ATOM 1489 CD GLU A 93 68.215 -20.922 -7.203 1.00 0.00 C ATOM 1490 OE1 GLU A 93 68.003 -22.151 -7.276 1.00 0.00 O ATOM 1491 OE2 GLU A 93 67.912 -20.121 -8.114 1.00 0.00 O ATOM 0 H GLU A 93 72.568 -19.210 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 93 70.346 -21.069 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.702 -19.358 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 93 70.707 -21.056 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.564 -20.984 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.497 -19.365 -5.762 1.00 0.00 H new