USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 945 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 61 SER OG : rot -80:sc= -0.98 USER MOD Set 1.2: A 68 GLN : amide:sc= -1.37 X(o=-2.4,f=-2.7) USER MOD Set 2.1: A 32 MET CE :methyl -128:sc= -1.38 (180deg=-1.48) USER MOD Set 2.2: A 34 CYS SG : rot 3:sc= -8.48! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.37! K(o=-2.4!,f=-1.1) USER MOD Single : A 31 GLN : amide:sc= -4.07! C(o=-4.1!,f=-4.4!) USER MOD Single : A 33 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -0.0991 (180deg=-0.497) USER MOD Single : A 42 THR OG1 : rot 87:sc= 0.975 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.06 K(o=-3.1,f=-0.97) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.25 K(o=-0.25,f=-9.7!) USER MOD Single : A 59 MET CE :methyl 174:sc= -5.32! (180deg=-5.75!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 69 SER OG : rot -62:sc= 0.603 USER MOD Single : A 73 MET CE :methyl -143:sc= -2.98 (180deg=-3.28) USER MOD Single : A 75 THR OG1 : rot 120:sc= -0.365 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -58:sc= 0.0379 USER MOD Single : A 84 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.65!) USER MOD Single : A 85 THR OG1 : rot -160:sc= -0.0144 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 MET CE :methyl 149:sc= -5.42! (180deg=-7.1!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 95 LYS NZ :NH3+ -161:sc= 0.656 (180deg=0.147) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 102 HIS : no HE2:sc= -7.72! C(o=-7.7!,f=-8.1!) USER MOD Single : A 104 THR OG1 : rot 36:sc= -0.0452 USER MOD Single : A 106 MET CE :methyl -173:sc= 0 (180deg=-0.111) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0299 USER MOD Single : A 111 GLN : amide:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -131:sc= -1.37 (180deg=-3.81!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot -146:sc= -5.77! USER MOD Single : A 127 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.2) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.8!) USER MOD Single : A 134 HIS : no HD1:sc= -0.537 K(o=-0.54,f=-0.02) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 364 N SER A 27 -0.622 5.839 -10.670 1.00 0.00 N ATOM 365 CA SER A 27 -0.128 7.158 -11.046 1.00 0.00 C ATOM 366 C SER A 27 0.939 7.639 -10.068 1.00 0.00 C ATOM 367 O SER A 27 0.627 8.167 -9.002 1.00 0.00 O ATOM 368 CB SER A 27 -1.281 8.163 -11.095 1.00 0.00 C ATOM 369 OG SER A 27 -1.972 8.087 -12.330 1.00 0.00 O ATOM 0 HA SER A 27 0.321 7.081 -12.036 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.972 7.968 -10.275 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.894 9.172 -10.953 1.00 0.00 H new ATOM 0 HG SER A 27 -2.705 8.738 -12.335 1.00 0.00 H new ATOM 375 N ASN A 28 2.201 7.451 -10.438 1.00 0.00 N ATOM 376 CA ASN A 28 3.316 7.864 -9.594 1.00 0.00 C ATOM 377 C ASN A 28 3.509 9.376 -9.649 1.00 0.00 C ATOM 378 O ASN A 28 3.593 9.964 -10.728 1.00 0.00 O ATOM 379 CB ASN A 28 4.602 7.158 -10.031 1.00 0.00 C ATOM 380 CG ASN A 28 5.835 7.739 -9.365 1.00 0.00 C ATOM 381 OD1 ASN A 28 6.492 8.623 -9.914 1.00 0.00 O ATOM 382 ND2 ASN A 28 6.154 7.244 -8.175 1.00 0.00 N ATOM 0 H ASN A 28 2.477 7.015 -11.318 1.00 0.00 H new ATOM 0 HA ASN A 28 3.086 7.582 -8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.530 6.097 -9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.706 7.236 -11.113 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.972 7.596 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.581 6.511 -7.757 1.00 0.00 H new ATOM 389 N VAL A 29 3.580 10.001 -8.478 1.00 0.00 N ATOM 390 CA VAL A 29 3.765 11.445 -8.392 1.00 0.00 C ATOM 391 C VAL A 29 5.200 11.794 -8.015 1.00 0.00 C ATOM 392 O VAL A 29 5.745 12.802 -8.466 1.00 0.00 O ATOM 393 CB VAL A 29 2.808 12.073 -7.362 1.00 0.00 C ATOM 394 CG1 VAL A 29 1.406 11.506 -7.519 1.00 0.00 C ATOM 395 CG2 VAL A 29 3.326 11.849 -5.949 1.00 0.00 C ATOM 0 H VAL A 29 3.512 9.530 -7.576 1.00 0.00 H new ATOM 0 HA VAL A 29 3.543 11.852 -9.379 1.00 0.00 H new ATOM 0 HB VAL A 29 2.762 13.147 -7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.745 11.962 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.036 11.722 -8.521 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.431 10.427 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.638 12.299 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.403 10.779 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.309 12.308 -5.845 1.00 0.00 H new ATOM 405 N LEU A 30 5.809 10.953 -7.186 1.00 0.00 N ATOM 406 CA LEU A 30 7.183 11.172 -6.748 1.00 0.00 C ATOM 407 C LEU A 30 7.868 9.848 -6.422 1.00 0.00 C ATOM 408 O LEU A 30 7.273 8.968 -5.799 1.00 0.00 O ATOM 409 CB LEU A 30 7.209 12.087 -5.522 1.00 0.00 C ATOM 410 CG LEU A 30 6.764 11.456 -4.203 1.00 0.00 C ATOM 411 CD1 LEU A 30 7.940 10.786 -3.509 1.00 0.00 C ATOM 412 CD2 LEU A 30 6.132 12.503 -3.298 1.00 0.00 C ATOM 0 H LEU A 30 5.373 10.114 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 30 7.726 11.651 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.224 12.464 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.572 12.948 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 30 6.015 10.694 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.605 10.342 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.348 10.007 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.712 11.528 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.821 12.036 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.858 13.288 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.263 12.936 -3.794 1.00 0.00 H new ATOM 424 N GLN A 31 9.121 9.715 -6.846 1.00 0.00 N ATOM 425 CA GLN A 31 9.886 8.500 -6.597 1.00 0.00 C ATOM 426 C GLN A 31 11.320 8.831 -6.198 1.00 0.00 C ATOM 427 O GLN A 31 12.035 9.517 -6.929 1.00 0.00 O ATOM 428 CB GLN A 31 9.883 7.607 -7.839 1.00 0.00 C ATOM 429 CG GLN A 31 10.888 6.468 -7.772 1.00 0.00 C ATOM 430 CD GLN A 31 11.121 5.816 -9.121 1.00 0.00 C ATOM 431 OE1 GLN A 31 10.417 4.880 -9.501 1.00 0.00 O ATOM 432 NE2 GLN A 31 12.112 6.308 -9.855 1.00 0.00 N ATOM 0 H GLN A 31 9.627 10.434 -7.363 1.00 0.00 H new ATOM 0 HA GLN A 31 9.413 7.966 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.884 7.192 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.097 8.218 -8.716 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.835 6.846 -7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.534 5.717 -7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.671 7.085 -9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.314 5.909 -10.772 1.00 0.00 H new ATOM 441 N MET A 32 11.735 8.340 -5.035 1.00 0.00 N ATOM 442 CA MET A 32 13.085 8.583 -4.541 1.00 0.00 C ATOM 443 C MET A 32 13.592 7.392 -3.733 1.00 0.00 C ATOM 444 O MET A 32 12.836 6.773 -2.985 1.00 0.00 O ATOM 445 CB MET A 32 13.115 9.848 -3.680 1.00 0.00 C ATOM 446 CG MET A 32 12.363 9.706 -2.366 1.00 0.00 C ATOM 447 SD MET A 32 13.359 8.936 -1.076 1.00 0.00 S ATOM 448 CE MET A 32 12.530 9.535 0.395 1.00 0.00 C ATOM 0 H MET A 32 11.156 7.772 -4.417 1.00 0.00 H new ATOM 0 HA MET A 32 13.740 8.721 -5.401 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.152 10.110 -3.469 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.686 10.674 -4.247 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.038 10.691 -2.030 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.464 9.112 -2.529 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.260 9.988 1.065 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.784 10.279 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.040 8.703 0.901 1.00 0.00 H new ATOM 458 N GLN A 33 14.873 7.077 -3.891 1.00 0.00 N ATOM 459 CA GLN A 33 15.479 5.961 -3.177 1.00 0.00 C ATOM 460 C GLN A 33 15.455 6.200 -1.671 1.00 0.00 C ATOM 461 O GLN A 33 15.872 7.256 -1.194 1.00 0.00 O ATOM 462 CB GLN A 33 16.918 5.746 -3.648 1.00 0.00 C ATOM 463 CG GLN A 33 17.020 5.221 -5.072 1.00 0.00 C ATOM 464 CD GLN A 33 18.300 4.447 -5.318 1.00 0.00 C ATOM 465 OE1 GLN A 33 19.071 4.190 -4.393 1.00 0.00 O ATOM 466 NE2 GLN A 33 18.532 4.069 -6.569 1.00 0.00 N ATOM 0 H GLN A 33 15.511 7.580 -4.508 1.00 0.00 H new ATOM 0 HA GLN A 33 14.896 5.066 -3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 33 17.459 6.689 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 33 17.411 5.045 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 33 16.165 4.578 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.966 6.058 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 33 17.866 4.304 -7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 33 19.377 3.544 -6.795 1.00 0.00 H new ATOM 475 N CYS A 34 14.965 5.214 -0.928 1.00 0.00 N ATOM 476 CA CYS A 34 14.885 5.318 0.526 1.00 0.00 C ATOM 477 C CYS A 34 15.019 3.946 1.177 1.00 0.00 C ATOM 478 O CYS A 34 15.067 2.924 0.493 1.00 0.00 O ATOM 479 CB CYS A 34 13.564 5.968 0.939 1.00 0.00 C ATOM 480 SG CYS A 34 13.667 6.949 2.454 1.00 0.00 S ATOM 0 H CYS A 34 14.617 4.333 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 34 15.710 5.943 0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.217 6.608 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.814 5.188 1.074 1.00 0.00 H new ATOM 0 HG CYS A 34 14.894 6.958 2.883 1.00 0.00 H new ATOM 486 N LYS A 35 15.078 3.929 2.504 1.00 0.00 N ATOM 487 CA LYS A 35 15.205 2.683 3.250 1.00 0.00 C ATOM 488 C LYS A 35 13.984 2.451 4.134 1.00 0.00 C ATOM 489 O LYS A 35 13.331 3.400 4.570 1.00 0.00 O ATOM 490 CB LYS A 35 16.473 2.706 4.107 1.00 0.00 C ATOM 491 CG LYS A 35 17.096 1.335 4.306 1.00 0.00 C ATOM 492 CD LYS A 35 18.126 1.348 5.424 1.00 0.00 C ATOM 493 CE LYS A 35 19.511 1.696 4.901 1.00 0.00 C ATOM 494 NZ LYS A 35 20.558 1.525 5.947 1.00 0.00 N ATOM 0 H LYS A 35 15.040 4.766 3.086 1.00 0.00 H new ATOM 0 HA LYS A 35 15.273 1.864 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.205 3.365 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.236 3.133 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.316 0.610 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.568 1.011 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.831 2.071 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.153 0.371 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.746 1.063 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.517 2.727 4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.488 1.772 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.348 2.148 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.570 0.536 6.268 1.00 0.00 H new ATOM 508 N LEU A 36 13.682 1.185 4.397 1.00 0.00 N ATOM 509 CA LEU A 36 12.541 0.828 5.231 1.00 0.00 C ATOM 510 C LEU A 36 12.976 -0.041 6.407 1.00 0.00 C ATOM 511 O LEU A 36 13.756 -0.979 6.245 1.00 0.00 O ATOM 512 CB LEU A 36 11.487 0.091 4.401 1.00 0.00 C ATOM 513 CG LEU A 36 10.206 -0.301 5.138 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.220 0.857 5.146 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.579 -1.531 4.499 1.00 0.00 C ATOM 0 H LEU A 36 14.212 0.388 4.044 1.00 0.00 H new ATOM 0 HA LEU A 36 12.108 1.748 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.216 0.720 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.940 -0.813 3.995 1.00 0.00 H new ATOM 0 HG LEU A 36 10.462 -0.542 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.314 0.560 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.669 1.714 5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.969 1.128 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.668 -1.796 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.337 -1.317 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.282 -2.363 4.544 1.00 0.00 H new ATOM 527 N PHE A 37 12.465 0.277 7.593 1.00 0.00 N ATOM 528 CA PHE A 37 12.799 -0.473 8.796 1.00 0.00 C ATOM 529 C PHE A 37 11.540 -1.000 9.477 1.00 0.00 C ATOM 530 O PHE A 37 10.487 -0.361 9.440 1.00 0.00 O ATOM 531 CB PHE A 37 13.589 0.405 9.768 1.00 0.00 C ATOM 532 CG PHE A 37 14.967 0.751 9.280 1.00 0.00 C ATOM 533 CD1 PHE A 37 15.968 -0.207 9.256 1.00 0.00 C ATOM 534 CD2 PHE A 37 15.261 2.033 8.846 1.00 0.00 C ATOM 535 CE1 PHE A 37 17.237 0.108 8.807 1.00 0.00 C ATOM 536 CE2 PHE A 37 16.527 2.353 8.396 1.00 0.00 C ATOM 537 CZ PHE A 37 17.517 1.390 8.377 1.00 0.00 C ATOM 0 H PHE A 37 11.817 1.050 7.745 1.00 0.00 H new ATOM 0 HA PHE A 37 13.415 -1.323 8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.034 1.326 9.947 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.670 -0.109 10.726 1.00 0.00 H new ATOM 0 HD1 PHE A 37 15.754 -1.211 9.592 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.492 2.791 8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 37 18.008 -0.648 8.793 1.00 0.00 H new ATOM 0 HE2 PHE A 37 16.743 3.356 8.059 1.00 0.00 H new ATOM 0 HZ PHE A 37 18.508 1.639 8.027 1.00 0.00 H new ATOM 547 N VAL A 38 11.654 -2.169 10.099 1.00 0.00 N ATOM 548 CA VAL A 38 10.525 -2.782 10.789 1.00 0.00 C ATOM 549 C VAL A 38 10.898 -3.172 12.215 1.00 0.00 C ATOM 550 O VAL A 38 11.773 -4.012 12.431 1.00 0.00 O ATOM 551 CB VAL A 38 10.020 -4.030 10.042 1.00 0.00 C ATOM 552 CG1 VAL A 38 10.966 -5.202 10.259 1.00 0.00 C ATOM 553 CG2 VAL A 38 8.610 -4.384 10.487 1.00 0.00 C ATOM 0 H VAL A 38 12.517 -2.711 10.139 1.00 0.00 H new ATOM 0 HA VAL A 38 9.729 -2.038 10.816 1.00 0.00 H new ATOM 0 HB VAL A 38 9.994 -3.807 8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.593 -6.075 9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.957 -4.944 9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.027 -5.428 11.324 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.270 -5.268 9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.607 -4.588 11.558 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.941 -3.550 10.274 1.00 0.00 H new ATOM 563 N PHE A 39 10.230 -2.558 13.185 1.00 0.00 N ATOM 564 CA PHE A 39 10.492 -2.841 14.591 1.00 0.00 C ATOM 565 C PHE A 39 9.806 -4.133 15.023 1.00 0.00 C ATOM 566 O PHE A 39 8.596 -4.289 14.863 1.00 0.00 O ATOM 567 CB PHE A 39 10.014 -1.678 15.465 1.00 0.00 C ATOM 568 CG PHE A 39 9.815 -2.055 16.905 1.00 0.00 C ATOM 569 CD1 PHE A 39 8.692 -2.761 17.303 1.00 0.00 C ATOM 570 CD2 PHE A 39 10.752 -1.701 17.863 1.00 0.00 C ATOM 571 CE1 PHE A 39 8.506 -3.109 18.627 1.00 0.00 C ATOM 572 CE2 PHE A 39 10.571 -2.045 19.189 1.00 0.00 C ATOM 573 CZ PHE A 39 9.446 -2.750 19.572 1.00 0.00 C ATOM 0 H PHE A 39 9.503 -1.861 13.023 1.00 0.00 H new ATOM 0 HA PHE A 39 11.568 -2.963 14.717 1.00 0.00 H new ATOM 0 HB2 PHE A 39 10.740 -0.867 15.407 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.075 -1.295 15.065 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.952 -3.043 16.569 1.00 0.00 H new ATOM 0 HD2 PHE A 39 11.633 -1.150 17.570 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.626 -3.661 18.922 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.309 -1.763 19.926 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.303 -3.019 20.608 1.00 0.00 H new ATOM 583 N ASP A 40 10.588 -5.057 15.570 1.00 0.00 N ATOM 584 CA ASP A 40 10.057 -6.336 16.027 1.00 0.00 C ATOM 585 C ASP A 40 9.971 -6.377 17.549 1.00 0.00 C ATOM 586 O ASP A 40 10.983 -6.512 18.236 1.00 0.00 O ATOM 587 CB ASP A 40 10.932 -7.484 15.522 1.00 0.00 C ATOM 588 CG ASP A 40 10.246 -8.831 15.643 1.00 0.00 C ATOM 589 OD1 ASP A 40 9.501 -9.031 16.625 1.00 0.00 O ATOM 590 OD2 ASP A 40 10.454 -9.685 14.755 1.00 0.00 O ATOM 0 H ASP A 40 11.592 -4.944 15.708 1.00 0.00 H new ATOM 0 HA ASP A 40 9.051 -6.450 15.622 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.194 -7.305 14.479 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.864 -7.502 16.087 1.00 0.00 H new ATOM 595 N LYS A 41 8.754 -6.258 18.071 1.00 0.00 N ATOM 596 CA LYS A 41 8.533 -6.281 19.512 1.00 0.00 C ATOM 597 C LYS A 41 9.438 -7.309 20.184 1.00 0.00 C ATOM 598 O LYS A 41 9.817 -7.153 21.345 1.00 0.00 O ATOM 599 CB LYS A 41 7.067 -6.596 19.819 1.00 0.00 C ATOM 600 CG LYS A 41 6.599 -7.925 19.249 1.00 0.00 C ATOM 601 CD LYS A 41 5.096 -7.938 19.028 1.00 0.00 C ATOM 602 CE LYS A 41 4.732 -7.433 17.641 1.00 0.00 C ATOM 603 NZ LYS A 41 5.217 -8.349 16.572 1.00 0.00 N ATOM 0 H LYS A 41 7.905 -6.145 17.517 1.00 0.00 H new ATOM 0 HA LYS A 41 8.776 -5.295 19.908 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.924 -6.603 20.900 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.441 -5.798 19.420 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.108 -8.116 18.305 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.875 -8.731 19.929 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.717 -8.952 19.158 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.611 -7.317 19.781 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.650 -7.328 17.565 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.160 -6.442 17.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.628 -8.234 15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.205 -8.121 16.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.158 -9.333 16.904 1.00 0.00 H new ATOM 617 N THR A 42 9.781 -8.361 19.447 1.00 0.00 N ATOM 618 CA THR A 42 10.641 -9.414 19.971 1.00 0.00 C ATOM 619 C THR A 42 11.989 -8.856 20.413 1.00 0.00 C ATOM 620 O THR A 42 12.457 -9.137 21.516 1.00 0.00 O ATOM 621 CB THR A 42 10.876 -10.521 18.926 1.00 0.00 C ATOM 622 OG1 THR A 42 9.620 -11.044 18.476 1.00 0.00 O ATOM 623 CG2 THR A 42 11.721 -11.644 19.506 1.00 0.00 C ATOM 0 H THR A 42 9.476 -8.506 18.485 1.00 0.00 H new ATOM 0 HA THR A 42 10.127 -9.840 20.832 1.00 0.00 H new ATOM 0 HB THR A 42 11.411 -10.086 18.082 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.285 -10.498 17.734 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.873 -12.413 18.749 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.687 -11.248 19.820 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.210 -12.077 20.366 1.00 0.00 H new ATOM 631 N SER A 43 12.607 -8.060 19.546 1.00 0.00 N ATOM 632 CA SER A 43 13.904 -7.463 19.847 1.00 0.00 C ATOM 633 C SER A 43 13.733 -6.102 20.513 1.00 0.00 C ATOM 634 O SER A 43 14.616 -5.638 21.235 1.00 0.00 O ATOM 635 CB SER A 43 14.730 -7.318 18.568 1.00 0.00 C ATOM 636 OG SER A 43 16.023 -6.811 18.851 1.00 0.00 O ATOM 0 H SER A 43 12.231 -7.814 18.630 1.00 0.00 H new ATOM 0 HA SER A 43 14.430 -8.122 20.538 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.815 -8.286 18.075 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.218 -6.651 17.874 1.00 0.00 H new ATOM 0 HG SER A 43 16.532 -6.729 18.017 1.00 0.00 H new ATOM 642 N GLN A 44 12.592 -5.467 20.266 1.00 0.00 N ATOM 643 CA GLN A 44 12.305 -4.158 20.841 1.00 0.00 C ATOM 644 C GLN A 44 13.258 -3.102 20.291 1.00 0.00 C ATOM 645 O GLN A 44 13.678 -2.196 21.010 1.00 0.00 O ATOM 646 CB GLN A 44 12.413 -4.213 22.366 1.00 0.00 C ATOM 647 CG GLN A 44 11.716 -5.416 22.982 1.00 0.00 C ATOM 648 CD GLN A 44 10.269 -5.134 23.336 1.00 0.00 C ATOM 649 OE1 GLN A 44 9.878 -5.209 24.500 1.00 0.00 O ATOM 650 NE2 GLN A 44 9.466 -4.806 22.330 1.00 0.00 N ATOM 0 H GLN A 44 11.851 -5.838 19.671 1.00 0.00 H new ATOM 0 HA GLN A 44 11.287 -3.883 20.565 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.466 -4.230 22.647 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.986 -3.302 22.785 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.759 -6.253 22.285 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.253 -5.722 23.880 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.833 -4.756 21.380 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.482 -4.604 22.508 1.00 0.00 H new ATOM 659 N SER A 45 13.594 -3.224 19.010 1.00 0.00 N ATOM 660 CA SER A 45 14.500 -2.282 18.364 1.00 0.00 C ATOM 661 C SER A 45 14.230 -2.209 16.865 1.00 0.00 C ATOM 662 O SER A 45 13.453 -2.997 16.325 1.00 0.00 O ATOM 663 CB SER A 45 15.955 -2.687 18.614 1.00 0.00 C ATOM 664 OG SER A 45 16.831 -1.593 18.408 1.00 0.00 O ATOM 0 H SER A 45 13.252 -3.966 18.400 1.00 0.00 H new ATOM 0 HA SER A 45 14.326 -1.296 18.794 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.063 -3.056 19.634 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.228 -3.506 17.948 1.00 0.00 H new ATOM 0 HG SER A 45 17.754 -1.877 18.576 1.00 0.00 H new ATOM 670 N TRP A 46 14.877 -1.261 16.198 1.00 0.00 N ATOM 671 CA TRP A 46 14.707 -1.085 14.760 1.00 0.00 C ATOM 672 C TRP A 46 15.512 -2.123 13.987 1.00 0.00 C ATOM 673 O TRP A 46 16.734 -2.198 14.114 1.00 0.00 O ATOM 674 CB TRP A 46 15.136 0.323 14.345 1.00 0.00 C ATOM 675 CG TRP A 46 14.103 1.369 14.639 1.00 0.00 C ATOM 676 CD1 TRP A 46 14.182 2.358 15.578 1.00 0.00 C ATOM 677 CD2 TRP A 46 12.837 1.530 13.991 1.00 0.00 C ATOM 678 NE1 TRP A 46 13.041 3.122 15.553 1.00 0.00 N ATOM 679 CE2 TRP A 46 12.199 2.635 14.587 1.00 0.00 C ATOM 680 CE3 TRP A 46 12.179 0.847 12.964 1.00 0.00 C ATOM 681 CZ2 TRP A 46 10.938 3.071 14.191 1.00 0.00 C ATOM 682 CZ3 TRP A 46 10.927 1.281 12.572 1.00 0.00 C ATOM 683 CH2 TRP A 46 10.318 2.385 13.183 1.00 0.00 C ATOM 0 H TRP A 46 15.525 -0.602 16.630 1.00 0.00 H new ATOM 0 HA TRP A 46 13.652 -1.221 14.524 1.00 0.00 H new ATOM 0 HB2 TRP A 46 16.061 0.580 14.861 1.00 0.00 H new ATOM 0 HB3 TRP A 46 15.355 0.329 13.277 1.00 0.00 H new ATOM 0 HD1 TRP A 46 15.019 2.516 16.242 1.00 0.00 H new ATOM 0 HE1 TRP A 46 12.851 3.923 16.156 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.641 -0.004 12.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.466 3.920 14.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.409 0.760 11.781 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.340 2.701 12.852 1.00 0.00 H new ATOM 694 N VAL A 47 14.818 -2.924 13.183 1.00 0.00 N ATOM 695 CA VAL A 47 15.469 -3.958 12.387 1.00 0.00 C ATOM 696 C VAL A 47 15.201 -3.756 10.900 1.00 0.00 C ATOM 697 O VAL A 47 14.105 -3.360 10.506 1.00 0.00 O ATOM 698 CB VAL A 47 14.993 -5.364 12.798 1.00 0.00 C ATOM 699 CG1 VAL A 47 15.673 -6.427 11.948 1.00 0.00 C ATOM 700 CG2 VAL A 47 15.256 -5.604 14.277 1.00 0.00 C ATOM 0 H VAL A 47 13.806 -2.876 13.066 1.00 0.00 H new ATOM 0 HA VAL A 47 16.540 -3.876 12.574 1.00 0.00 H new ATOM 0 HB VAL A 47 13.918 -5.429 12.628 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.325 -7.414 12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.429 -6.264 10.898 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.753 -6.366 12.084 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.914 -6.602 14.550 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.325 -5.520 14.475 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.719 -4.862 14.867 1.00 0.00 H new ATOM 710 N GLU A 48 16.209 -4.034 10.080 1.00 0.00 N ATOM 711 CA GLU A 48 16.082 -3.882 8.634 1.00 0.00 C ATOM 712 C GLU A 48 14.975 -4.781 8.089 1.00 0.00 C ATOM 713 O GLU A 48 14.725 -5.864 8.617 1.00 0.00 O ATOM 714 CB GLU A 48 17.408 -4.213 7.946 1.00 0.00 C ATOM 715 CG GLU A 48 17.403 -3.935 6.452 1.00 0.00 C ATOM 716 CD GLU A 48 17.851 -2.525 6.119 1.00 0.00 C ATOM 717 OE1 GLU A 48 19.017 -2.187 6.416 1.00 0.00 O ATOM 718 OE2 GLU A 48 17.036 -1.759 5.564 1.00 0.00 O ATOM 0 H GLU A 48 17.122 -4.365 10.391 1.00 0.00 H new ATOM 0 HA GLU A 48 15.821 -2.845 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.205 -3.633 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.641 -5.265 8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.058 -4.648 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.399 -4.095 6.060 1.00 0.00 H new ATOM 725 N ARG A 49 14.316 -4.321 7.031 1.00 0.00 N ATOM 726 CA ARG A 49 13.236 -5.082 6.414 1.00 0.00 C ATOM 727 C ARG A 49 13.405 -5.136 4.899 1.00 0.00 C ATOM 728 O ARG A 49 13.265 -6.194 4.286 1.00 0.00 O ATOM 729 CB ARG A 49 11.882 -4.460 6.765 1.00 0.00 C ATOM 730 CG ARG A 49 10.731 -5.453 6.735 1.00 0.00 C ATOM 731 CD ARG A 49 10.337 -5.806 5.310 1.00 0.00 C ATOM 732 NE ARG A 49 8.931 -6.192 5.210 1.00 0.00 N ATOM 733 CZ ARG A 49 8.481 -7.407 5.501 1.00 0.00 C ATOM 734 NH1 ARG A 49 9.320 -8.350 5.909 1.00 0.00 N ATOM 735 NH2 ARG A 49 7.187 -7.681 5.386 1.00 0.00 N ATOM 0 H ARG A 49 14.511 -3.426 6.583 1.00 0.00 H new ATOM 0 HA ARG A 49 13.274 -6.100 6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.942 -4.016 7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.671 -3.651 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.017 -6.359 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.872 -5.032 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.525 -4.952 4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.964 -6.623 4.953 1.00 0.00 H new ATOM 0 HE ARG A 49 8.259 -5.490 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.315 -8.143 6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.971 -9.282 6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.538 -6.958 5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.841 -8.614 5.610 1.00 0.00 H new ATOM 749 N GLY A 50 13.708 -3.989 4.300 1.00 0.00 N ATOM 750 CA GLY A 50 13.890 -3.928 2.862 1.00 0.00 C ATOM 751 C GLY A 50 14.291 -2.546 2.386 1.00 0.00 C ATOM 752 O GLY A 50 13.654 -1.553 2.738 1.00 0.00 O ATOM 0 H GLY A 50 13.831 -3.100 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.654 -4.647 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.964 -4.224 2.369 1.00 0.00 H new ATOM 756 N ARG A 51 15.350 -2.480 1.587 1.00 0.00 N ATOM 757 CA ARG A 51 15.836 -1.209 1.064 1.00 0.00 C ATOM 758 C ARG A 51 15.970 -1.260 -0.454 1.00 0.00 C ATOM 759 O ARG A 51 16.405 -2.264 -1.016 1.00 0.00 O ATOM 760 CB ARG A 51 17.186 -0.858 1.694 1.00 0.00 C ATOM 761 CG ARG A 51 18.279 -1.871 1.396 1.00 0.00 C ATOM 762 CD ARG A 51 18.325 -2.966 2.450 1.00 0.00 C ATOM 763 NE ARG A 51 19.326 -3.984 2.139 1.00 0.00 N ATOM 764 CZ ARG A 51 19.123 -4.974 1.276 1.00 0.00 C ATOM 765 NH1 ARG A 51 17.964 -5.078 0.643 1.00 0.00 N ATOM 766 NH2 ARG A 51 20.083 -5.861 1.046 1.00 0.00 N ATOM 0 H ARG A 51 15.889 -3.293 1.287 1.00 0.00 H new ATOM 0 HA ARG A 51 15.110 -0.438 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.502 0.121 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.063 -0.776 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 51 18.108 -2.315 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 51 19.244 -1.365 1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 51 18.547 -2.525 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.344 -3.434 2.529 1.00 0.00 H new ATOM 0 HE ARG A 51 20.229 -3.932 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.225 -4.397 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.811 -5.839 -0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 51 20.977 -5.783 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 51 19.927 -6.621 0.384 1.00 0.00 H new ATOM 780 N GLY A 52 15.589 -0.170 -1.114 1.00 0.00 N ATOM 781 CA GLY A 52 15.674 -0.110 -2.562 1.00 0.00 C ATOM 782 C GLY A 52 15.224 1.227 -3.115 1.00 0.00 C ATOM 783 O GLY A 52 15.976 2.203 -3.089 1.00 0.00 O ATOM 0 H GLY A 52 15.223 0.673 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.702 -0.300 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 52 15.061 -0.902 -2.992 1.00 0.00 H new ATOM 787 N LEU A 53 13.996 1.275 -3.619 1.00 0.00 N ATOM 788 CA LEU A 53 13.446 2.503 -4.182 1.00 0.00 C ATOM 789 C LEU A 53 11.988 2.685 -3.775 1.00 0.00 C ATOM 790 O LEU A 53 11.141 1.837 -4.063 1.00 0.00 O ATOM 791 CB LEU A 53 13.564 2.485 -5.707 1.00 0.00 C ATOM 792 CG LEU A 53 12.763 3.551 -6.455 1.00 0.00 C ATOM 793 CD1 LEU A 53 13.132 4.941 -5.961 1.00 0.00 C ATOM 794 CD2 LEU A 53 12.994 3.436 -7.955 1.00 0.00 C ATOM 0 H LEU A 53 13.362 0.477 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 53 14.020 3.342 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.615 2.597 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.248 1.505 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 53 11.704 3.388 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.552 5.686 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.914 5.018 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.195 5.116 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.416 4.202 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.054 3.573 -8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.678 2.451 -8.297 1.00 0.00 H new ATOM 806 N LEU A 54 11.700 3.797 -3.107 1.00 0.00 N ATOM 807 CA LEU A 54 10.342 4.091 -2.664 1.00 0.00 C ATOM 808 C LEU A 54 9.635 5.017 -3.649 1.00 0.00 C ATOM 809 O LEU A 54 10.246 5.929 -4.205 1.00 0.00 O ATOM 810 CB LEU A 54 10.366 4.731 -1.274 1.00 0.00 C ATOM 811 CG LEU A 54 9.030 5.264 -0.756 1.00 0.00 C ATOM 812 CD1 LEU A 54 8.232 4.151 -0.093 1.00 0.00 C ATOM 813 CD2 LEU A 54 9.254 6.415 0.214 1.00 0.00 C ATOM 0 H LEU A 54 12.388 4.509 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 54 9.791 3.152 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.740 3.994 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.082 5.553 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 54 8.456 5.638 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.284 4.549 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.040 3.360 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.800 3.746 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.292 6.781 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.848 6.068 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.783 7.221 -0.294 1.00 0.00 H new ATOM 825 N ARG A 55 8.345 4.776 -3.857 1.00 0.00 N ATOM 826 CA ARG A 55 7.554 5.589 -4.774 1.00 0.00 C ATOM 827 C ARG A 55 6.091 5.629 -4.343 1.00 0.00 C ATOM 828 O ARG A 55 5.575 4.667 -3.772 1.00 0.00 O ATOM 829 CB ARG A 55 7.663 5.041 -6.198 1.00 0.00 C ATOM 830 CG ARG A 55 7.115 3.630 -6.351 1.00 0.00 C ATOM 831 CD ARG A 55 7.821 2.876 -7.466 1.00 0.00 C ATOM 832 NE ARG A 55 6.986 1.818 -8.026 1.00 0.00 N ATOM 833 CZ ARG A 55 6.160 1.997 -9.051 1.00 0.00 C ATOM 834 NH1 ARG A 55 6.060 3.188 -9.625 1.00 0.00 N ATOM 835 NH2 ARG A 55 5.432 0.984 -9.503 1.00 0.00 N ATOM 0 H ARG A 55 7.825 4.025 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 55 7.948 6.605 -4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.127 5.705 -6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.709 5.050 -6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.234 3.089 -5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.046 3.674 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.099 3.574 -8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.745 2.444 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 55 7.040 0.890 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.618 3.969 -9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.425 3.323 -10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.506 0.067 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.798 1.123 -10.290 1.00 0.00 H new ATOM 849 N LEU A 56 5.429 6.747 -4.620 1.00 0.00 N ATOM 850 CA LEU A 56 4.025 6.912 -4.260 1.00 0.00 C ATOM 851 C LEU A 56 3.132 6.823 -5.493 1.00 0.00 C ATOM 852 O LEU A 56 3.174 7.690 -6.366 1.00 0.00 O ATOM 853 CB LEU A 56 3.813 8.256 -3.559 1.00 0.00 C ATOM 854 CG LEU A 56 2.417 8.869 -3.690 1.00 0.00 C ATOM 855 CD1 LEU A 56 1.387 8.004 -2.979 1.00 0.00 C ATOM 856 CD2 LEU A 56 2.402 10.285 -3.135 1.00 0.00 C ATOM 0 H LEU A 56 5.841 7.552 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 56 3.753 6.106 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.034 8.129 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.539 8.967 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 56 2.157 8.913 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.400 8.455 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.380 7.008 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.643 7.928 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.401 10.705 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.682 10.266 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.112 10.900 -3.688 1.00 0.00 H new ATOM 868 N ASN A 57 2.325 5.770 -5.558 1.00 0.00 N ATOM 869 CA ASN A 57 1.420 5.567 -6.684 1.00 0.00 C ATOM 870 C ASN A 57 0.009 6.034 -6.339 1.00 0.00 C ATOM 871 O ASN A 57 -0.453 5.865 -5.211 1.00 0.00 O ATOM 872 CB ASN A 57 1.397 4.092 -7.087 1.00 0.00 C ATOM 873 CG ASN A 57 1.230 3.169 -5.897 1.00 0.00 C ATOM 874 OD1 ASN A 57 1.251 3.610 -4.747 1.00 0.00 O ATOM 875 ND2 ASN A 57 1.061 1.880 -6.167 1.00 0.00 N ATOM 0 H ASN A 57 2.279 5.043 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 57 1.785 6.160 -7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.582 3.923 -7.791 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.323 3.846 -7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.942 1.211 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.050 1.559 -7.135 1.00 0.00 H new ATOM 882 N ASP A 58 -0.670 6.621 -7.319 1.00 0.00 N ATOM 883 CA ASP A 58 -2.029 7.111 -7.120 1.00 0.00 C ATOM 884 C ASP A 58 -3.039 6.212 -7.826 1.00 0.00 C ATOM 885 O ASP A 58 -2.885 5.896 -9.006 1.00 0.00 O ATOM 886 CB ASP A 58 -2.157 8.546 -7.635 1.00 0.00 C ATOM 887 CG ASP A 58 -1.782 9.573 -6.584 1.00 0.00 C ATOM 888 OD1 ASP A 58 -1.868 9.250 -5.382 1.00 0.00 O ATOM 889 OD2 ASP A 58 -1.403 10.701 -6.966 1.00 0.00 O ATOM 0 H ASP A 58 -0.302 6.769 -8.259 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.242 7.097 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.518 8.674 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.182 8.722 -7.962 1.00 0.00 H new ATOM 894 N MET A 59 -4.072 5.803 -7.096 1.00 0.00 N ATOM 895 CA MET A 59 -5.107 4.940 -7.653 1.00 0.00 C ATOM 896 C MET A 59 -6.496 5.464 -7.304 1.00 0.00 C ATOM 897 O MET A 59 -6.677 6.149 -6.297 1.00 0.00 O ATOM 898 CB MET A 59 -4.942 3.510 -7.135 1.00 0.00 C ATOM 899 CG MET A 59 -5.213 3.368 -5.646 1.00 0.00 C ATOM 900 SD MET A 59 -4.621 1.801 -4.979 1.00 0.00 S ATOM 901 CE MET A 59 -4.973 2.020 -3.237 1.00 0.00 C ATOM 0 H MET A 59 -4.214 6.055 -6.118 1.00 0.00 H new ATOM 0 HA MET A 59 -5.001 4.939 -8.738 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.618 2.854 -7.683 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.928 3.171 -7.345 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.734 4.189 -5.113 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.285 3.454 -5.466 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.762 1.093 -2.704 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.349 2.819 -2.837 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.023 2.281 -3.108 1.00 0.00 H new ATOM 911 N ALA A 60 -7.475 5.136 -8.141 1.00 0.00 N ATOM 912 CA ALA A 60 -8.848 5.571 -7.918 1.00 0.00 C ATOM 913 C ALA A 60 -9.539 4.697 -6.877 1.00 0.00 C ATOM 914 O ALA A 60 -9.205 3.523 -6.717 1.00 0.00 O ATOM 915 CB ALA A 60 -9.625 5.551 -9.226 1.00 0.00 C ATOM 0 H ALA A 60 -7.342 4.571 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.823 6.592 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.649 5.878 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.150 6.222 -9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.633 4.538 -9.629 1.00 0.00 H new ATOM 921 N SER A 61 -10.504 5.278 -6.170 1.00 0.00 N ATOM 922 CA SER A 61 -11.239 4.553 -5.140 1.00 0.00 C ATOM 923 C SER A 61 -12.452 3.845 -5.736 1.00 0.00 C ATOM 924 O SER A 61 -12.983 4.259 -6.766 1.00 0.00 O ATOM 925 CB SER A 61 -11.684 5.510 -4.033 1.00 0.00 C ATOM 926 OG SER A 61 -11.709 4.858 -2.775 1.00 0.00 O ATOM 0 H SER A 61 -10.795 6.248 -6.292 1.00 0.00 H new ATOM 0 HA SER A 61 -10.575 3.801 -4.714 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.006 6.363 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.675 5.902 -4.263 1.00 0.00 H new ATOM 0 HG SER A 61 -12.533 4.333 -2.695 1.00 0.00 H new ATOM 932 N THR A 62 -12.887 2.775 -5.077 1.00 0.00 N ATOM 933 CA THR A 62 -14.037 2.008 -5.540 1.00 0.00 C ATOM 934 C THR A 62 -15.304 2.412 -4.794 1.00 0.00 C ATOM 935 O THR A 62 -16.325 2.720 -5.407 1.00 0.00 O ATOM 936 CB THR A 62 -13.811 0.496 -5.363 1.00 0.00 C ATOM 937 OG1 THR A 62 -15.060 -0.163 -5.130 1.00 0.00 O ATOM 938 CG2 THR A 62 -12.864 0.221 -4.204 1.00 0.00 C ATOM 0 H THR A 62 -12.460 2.420 -4.221 1.00 0.00 H new ATOM 0 HA THR A 62 -14.158 2.228 -6.601 1.00 0.00 H new ATOM 0 HB THR A 62 -13.362 0.110 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.907 -1.125 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.720 -0.854 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.903 0.698 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.289 0.622 -3.284 1.00 0.00 H new ATOM 946 N ASP A 63 -15.229 2.410 -3.468 1.00 0.00 N ATOM 947 CA ASP A 63 -16.370 2.777 -2.637 1.00 0.00 C ATOM 948 C ASP A 63 -16.430 4.288 -2.434 1.00 0.00 C ATOM 949 O ASP A 63 -17.387 4.810 -1.864 1.00 0.00 O ATOM 950 CB ASP A 63 -16.292 2.070 -1.284 1.00 0.00 C ATOM 951 CG ASP A 63 -16.990 0.724 -1.292 1.00 0.00 C ATOM 952 OD1 ASP A 63 -16.524 -0.182 -2.015 1.00 0.00 O ATOM 953 OD2 ASP A 63 -18.002 0.577 -0.575 1.00 0.00 O ATOM 0 H ASP A 63 -14.390 2.158 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.278 2.461 -3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.246 1.932 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.741 2.704 -0.520 1.00 0.00 H new ATOM 958 N ASP A 64 -15.399 4.984 -2.902 1.00 0.00 N ATOM 959 CA ASP A 64 -15.333 6.434 -2.772 1.00 0.00 C ATOM 960 C ASP A 64 -15.192 7.097 -4.138 1.00 0.00 C ATOM 961 O ASP A 64 -15.457 8.289 -4.292 1.00 0.00 O ATOM 962 CB ASP A 64 -14.162 6.835 -1.874 1.00 0.00 C ATOM 963 CG ASP A 64 -14.038 5.944 -0.652 1.00 0.00 C ATOM 964 OD1 ASP A 64 -15.029 5.826 0.098 1.00 0.00 O ATOM 965 OD2 ASP A 64 -12.951 5.365 -0.447 1.00 0.00 O ATOM 0 H ASP A 64 -14.598 4.566 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.263 6.775 -2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.236 6.791 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.290 7.869 -1.555 1.00 0.00 H new ATOM 970 N GLY A 65 -14.770 6.316 -5.129 1.00 0.00 N ATOM 971 CA GLY A 65 -14.599 6.845 -6.469 1.00 0.00 C ATOM 972 C GLY A 65 -13.706 8.069 -6.500 1.00 0.00 C ATOM 973 O GLY A 65 -13.669 8.796 -7.493 1.00 0.00 O ATOM 0 H GLY A 65 -14.544 5.327 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.174 6.072 -7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.575 7.100 -6.883 1.00 0.00 H new ATOM 977 N THR A 66 -12.983 8.300 -5.408 1.00 0.00 N ATOM 978 CA THR A 66 -12.088 9.446 -5.313 1.00 0.00 C ATOM 979 C THR A 66 -10.636 9.028 -5.516 1.00 0.00 C ATOM 980 O THR A 66 -10.330 7.839 -5.617 1.00 0.00 O ATOM 981 CB THR A 66 -12.221 10.151 -3.950 1.00 0.00 C ATOM 982 OG1 THR A 66 -11.611 11.445 -4.006 1.00 0.00 O ATOM 983 CG2 THR A 66 -11.572 9.327 -2.848 1.00 0.00 C ATOM 0 H THR A 66 -13.000 7.708 -4.577 1.00 0.00 H new ATOM 0 HA THR A 66 -12.378 10.139 -6.103 1.00 0.00 H new ATOM 0 HB THR A 66 -13.282 10.259 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.701 11.887 -3.136 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.679 9.845 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.058 8.353 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.514 9.191 -3.071 1.00 0.00 H new ATOM 991 N LEU A 67 -9.746 10.011 -5.575 1.00 0.00 N ATOM 992 CA LEU A 67 -8.323 9.745 -5.765 1.00 0.00 C ATOM 993 C LEU A 67 -7.734 9.036 -4.551 1.00 0.00 C ATOM 994 O LEU A 67 -7.434 9.666 -3.537 1.00 0.00 O ATOM 995 CB LEU A 67 -7.570 11.052 -6.022 1.00 0.00 C ATOM 996 CG LEU A 67 -6.187 10.915 -6.660 1.00 0.00 C ATOM 997 CD1 LEU A 67 -5.151 10.540 -5.611 1.00 0.00 C ATOM 998 CD2 LEU A 67 -6.215 9.882 -7.777 1.00 0.00 C ATOM 0 H LEU A 67 -9.983 11.000 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.213 9.093 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.184 11.682 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.460 11.577 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.909 11.877 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.173 10.447 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.112 11.314 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.425 9.590 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.222 9.798 -8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.515 8.916 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.928 10.192 -8.541 1.00 0.00 H new ATOM 1010 N GLN A 68 -7.571 7.722 -4.661 1.00 0.00 N ATOM 1011 CA GLN A 68 -7.018 6.926 -3.572 1.00 0.00 C ATOM 1012 C GLN A 68 -5.495 6.866 -3.661 1.00 0.00 C ATOM 1013 O GLN A 68 -4.907 7.267 -4.665 1.00 0.00 O ATOM 1014 CB GLN A 68 -7.598 5.511 -3.598 1.00 0.00 C ATOM 1015 CG GLN A 68 -8.848 5.350 -2.748 1.00 0.00 C ATOM 1016 CD GLN A 68 -8.531 5.039 -1.298 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -7.832 5.798 -0.627 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -9.046 3.918 -0.807 1.00 0.00 N ATOM 0 H GLN A 68 -7.814 7.186 -5.494 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.291 7.405 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.832 5.242 -4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.839 4.810 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.438 6.265 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.463 4.551 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.620 3.318 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.868 3.657 0.163 1.00 0.00 H new ATOM 1027 N SER A 69 -4.865 6.365 -2.604 1.00 0.00 N ATOM 1028 CA SER A 69 -3.412 6.256 -2.561 1.00 0.00 C ATOM 1029 C SER A 69 -2.981 5.037 -1.752 1.00 0.00 C ATOM 1030 O SER A 69 -3.788 4.429 -1.047 1.00 0.00 O ATOM 1031 CB SER A 69 -2.802 7.524 -1.960 1.00 0.00 C ATOM 1032 OG SER A 69 -2.832 8.594 -2.889 1.00 0.00 O ATOM 0 H SER A 69 -5.338 6.028 -1.766 1.00 0.00 H new ATOM 0 HA SER A 69 -3.051 6.137 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.350 7.804 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.773 7.329 -1.659 1.00 0.00 H new ATOM 0 HG SER A 69 -2.298 8.359 -3.676 1.00 0.00 H new ATOM 1038 N ARG A 70 -1.704 4.685 -1.857 1.00 0.00 N ATOM 1039 CA ARG A 70 -1.164 3.539 -1.135 1.00 0.00 C ATOM 1040 C ARG A 70 0.356 3.620 -1.042 1.00 0.00 C ATOM 1041 O ARG A 70 0.995 4.367 -1.785 1.00 0.00 O ATOM 1042 CB ARG A 70 -1.576 2.237 -1.824 1.00 0.00 C ATOM 1043 CG ARG A 70 -0.773 1.932 -3.079 1.00 0.00 C ATOM 1044 CD ARG A 70 -0.851 0.460 -3.446 1.00 0.00 C ATOM 1045 NE ARG A 70 -2.228 0.022 -3.666 1.00 0.00 N ATOM 1046 CZ ARG A 70 -2.554 -1.030 -4.409 1.00 0.00 C ATOM 1047 NH1 ARG A 70 -1.609 -1.748 -5.000 1.00 0.00 N ATOM 1048 NH2 ARG A 70 -3.829 -1.365 -4.562 1.00 0.00 N ATOM 0 H ARG A 70 -1.023 5.177 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.572 3.553 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.463 1.412 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.633 2.292 -2.084 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.147 2.535 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.268 2.215 -2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.265 0.280 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.404 -0.136 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.979 0.553 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.628 -1.493 -4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.863 -2.555 -5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.559 -0.815 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.079 -2.173 -5.132 1.00 0.00 H new ATOM 1062 N LEU A 71 0.930 2.849 -0.126 1.00 0.00 N ATOM 1063 CA LEU A 71 2.377 2.833 0.063 1.00 0.00 C ATOM 1064 C LEU A 71 3.016 1.692 -0.720 1.00 0.00 C ATOM 1065 O LEU A 71 2.360 0.703 -1.047 1.00 0.00 O ATOM 1066 CB LEU A 71 2.714 2.697 1.549 1.00 0.00 C ATOM 1067 CG LEU A 71 2.485 3.944 2.406 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.152 3.553 3.837 1.00 0.00 C ATOM 1069 CD2 LEU A 71 3.708 4.847 2.369 1.00 0.00 C ATOM 0 H LEU A 71 0.416 2.227 0.498 1.00 0.00 H new ATOM 0 HA LEU A 71 2.778 3.775 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.120 1.882 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.761 2.406 1.639 1.00 0.00 H new ATOM 0 HG LEU A 71 1.639 4.495 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.992 4.452 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.247 2.946 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.978 2.980 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.528 5.729 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.572 4.306 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.902 5.154 1.341 1.00 0.00 H new ATOM 1081 N VAL A 72 4.304 1.836 -1.020 1.00 0.00 N ATOM 1082 CA VAL A 72 5.035 0.816 -1.763 1.00 0.00 C ATOM 1083 C VAL A 72 6.528 0.883 -1.464 1.00 0.00 C ATOM 1084 O VAL A 72 7.052 1.935 -1.101 1.00 0.00 O ATOM 1085 CB VAL A 72 4.819 0.966 -3.281 1.00 0.00 C ATOM 1086 CG1 VAL A 72 3.443 1.545 -3.570 1.00 0.00 C ATOM 1087 CG2 VAL A 72 5.911 1.832 -3.890 1.00 0.00 C ATOM 0 H VAL A 72 4.862 2.649 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 72 4.646 -0.150 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 72 4.873 -0.022 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.309 1.644 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.677 0.881 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.355 2.526 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.743 1.928 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.891 2.820 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.882 1.370 -3.714 1.00 0.00 H new ATOM 1097 N MET A 73 7.207 -0.249 -1.619 1.00 0.00 N ATOM 1098 CA MET A 73 8.642 -0.319 -1.367 1.00 0.00 C ATOM 1099 C MET A 73 9.278 -1.457 -2.159 1.00 0.00 C ATOM 1100 O MET A 73 9.094 -2.630 -1.834 1.00 0.00 O ATOM 1101 CB MET A 73 8.911 -0.509 0.127 1.00 0.00 C ATOM 1102 CG MET A 73 10.383 -0.419 0.496 1.00 0.00 C ATOM 1103 SD MET A 73 11.200 1.005 -0.248 1.00 0.00 S ATOM 1104 CE MET A 73 12.882 0.403 -0.372 1.00 0.00 C ATOM 0 H MET A 73 6.787 -1.129 -1.918 1.00 0.00 H new ATOM 0 HA MET A 73 9.089 0.621 -1.692 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.358 0.246 0.686 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.526 -1.481 0.436 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.479 -0.362 1.580 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.889 -1.330 0.178 1.00 0.00 H new ATOM 0 HE1 MET A 73 13.576 1.218 -0.168 1.00 0.00 H new ATOM 0 HE2 MET A 73 13.037 -0.396 0.353 1.00 0.00 H new ATOM 0 HE3 MET A 73 13.058 0.020 -1.377 1.00 0.00 H new ATOM 1114 N ARG A 74 10.027 -1.103 -3.198 1.00 0.00 N ATOM 1115 CA ARG A 74 10.690 -2.096 -4.036 1.00 0.00 C ATOM 1116 C ARG A 74 12.162 -2.228 -3.662 1.00 0.00 C ATOM 1117 O ARG A 74 12.903 -1.243 -3.650 1.00 0.00 O ATOM 1118 CB ARG A 74 10.558 -1.716 -5.512 1.00 0.00 C ATOM 1119 CG ARG A 74 9.134 -1.401 -5.936 1.00 0.00 C ATOM 1120 CD ARG A 74 8.999 -1.358 -7.450 1.00 0.00 C ATOM 1121 NE ARG A 74 9.722 -0.231 -8.033 1.00 0.00 N ATOM 1122 CZ ARG A 74 9.831 -0.024 -9.341 1.00 0.00 C ATOM 1123 NH1 ARG A 74 9.267 -0.864 -10.197 1.00 0.00 N ATOM 1124 NH2 ARG A 74 10.506 1.025 -9.793 1.00 0.00 N ATOM 0 H ARG A 74 10.190 -0.136 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 74 10.205 -3.058 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.188 -0.849 -5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.937 -2.534 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.458 -2.154 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.832 -0.442 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.376 -2.289 -7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.945 -1.290 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 74 10.168 0.434 -7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.748 -1.671 -9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.352 -0.703 -11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.941 1.673 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.590 1.184 -10.797 1.00 0.00 H new ATOM 1138 N THR A 75 12.583 -3.451 -3.357 1.00 0.00 N ATOM 1139 CA THR A 75 13.968 -3.711 -2.980 1.00 0.00 C ATOM 1140 C THR A 75 14.902 -3.543 -4.173 1.00 0.00 C ATOM 1141 O THR A 75 14.535 -3.847 -5.307 1.00 0.00 O ATOM 1142 CB THR A 75 14.136 -5.131 -2.407 1.00 0.00 C ATOM 1143 OG1 THR A 75 13.415 -6.073 -3.210 1.00 0.00 O ATOM 1144 CG2 THR A 75 13.639 -5.197 -0.971 1.00 0.00 C ATOM 0 H THR A 75 11.985 -4.278 -3.363 1.00 0.00 H new ATOM 0 HA THR A 75 14.230 -2.984 -2.212 1.00 0.00 H new ATOM 0 HB THR A 75 15.197 -5.380 -2.420 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.037 -6.737 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.768 -6.209 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.209 -4.501 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.583 -4.928 -0.939 1.00 0.00 H new ATOM 1152 N GLN A 76 16.110 -3.057 -3.907 1.00 0.00 N ATOM 1153 CA GLN A 76 17.097 -2.849 -4.960 1.00 0.00 C ATOM 1154 C GLN A 76 17.595 -4.181 -5.512 1.00 0.00 C ATOM 1155 O GLN A 76 17.844 -4.314 -6.709 1.00 0.00 O ATOM 1156 CB GLN A 76 18.276 -2.032 -4.429 1.00 0.00 C ATOM 1157 CG GLN A 76 18.876 -2.591 -3.149 1.00 0.00 C ATOM 1158 CD GLN A 76 20.243 -2.011 -2.843 1.00 0.00 C ATOM 1159 OE1 GLN A 76 20.384 -0.808 -2.622 1.00 0.00 O ATOM 1160 NE2 GLN A 76 21.260 -2.865 -2.828 1.00 0.00 N ATOM 0 H GLN A 76 16.429 -2.800 -2.973 1.00 0.00 H new ATOM 0 HA GLN A 76 16.616 -2.298 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.051 -1.988 -5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.947 -1.009 -4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.203 -2.384 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 76 18.956 -3.675 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 76 21.098 -3.854 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 76 22.203 -2.532 -2.628 1.00 0.00 H new ATOM 1169 N GLY A 77 17.736 -5.165 -4.630 1.00 0.00 N ATOM 1170 CA GLY A 77 18.204 -6.474 -5.047 1.00 0.00 C ATOM 1171 C GLY A 77 17.658 -6.880 -6.403 1.00 0.00 C ATOM 1172 O GLY A 77 18.377 -6.857 -7.401 1.00 0.00 O ATOM 0 H GLY A 77 17.535 -5.079 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.293 -6.473 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.911 -7.215 -4.304 1.00 0.00 H new ATOM 1176 N SER A 78 16.383 -7.252 -6.438 1.00 0.00 N ATOM 1177 CA SER A 78 15.743 -7.670 -7.679 1.00 0.00 C ATOM 1178 C SER A 78 14.395 -6.977 -7.855 1.00 0.00 C ATOM 1179 O SER A 78 13.387 -7.621 -8.151 1.00 0.00 O ATOM 1180 CB SER A 78 15.555 -9.188 -7.696 1.00 0.00 C ATOM 1181 OG SER A 78 15.303 -9.656 -9.010 1.00 0.00 O ATOM 0 H SER A 78 15.773 -7.272 -5.621 1.00 0.00 H new ATOM 0 HA SER A 78 16.391 -7.383 -8.507 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.447 -9.673 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.726 -9.462 -7.044 1.00 0.00 H new ATOM 0 HG SER A 78 14.510 -9.207 -9.371 1.00 0.00 H new ATOM 1187 N LEU A 79 14.384 -5.662 -7.670 1.00 0.00 N ATOM 1188 CA LEU A 79 13.159 -4.880 -7.807 1.00 0.00 C ATOM 1189 C LEU A 79 11.950 -5.672 -7.320 1.00 0.00 C ATOM 1190 O LEU A 79 10.921 -5.730 -7.995 1.00 0.00 O ATOM 1191 CB LEU A 79 12.957 -4.464 -9.266 1.00 0.00 C ATOM 1192 CG LEU A 79 13.805 -3.288 -9.752 1.00 0.00 C ATOM 1193 CD1 LEU A 79 13.491 -2.036 -8.949 1.00 0.00 C ATOM 1194 CD2 LEU A 79 15.287 -3.625 -9.661 1.00 0.00 C ATOM 0 H LEU A 79 15.209 -5.114 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 79 13.257 -3.986 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.168 -5.325 -9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.906 -4.212 -9.409 1.00 0.00 H new ATOM 0 HG LEU A 79 13.560 -3.096 -10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.104 -1.210 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.437 -1.784 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.707 -2.216 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.875 -2.777 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.547 -3.845 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.501 -4.495 -10.281 1.00 0.00 H new ATOM 1206 N ARG A 80 12.080 -6.276 -6.144 1.00 0.00 N ATOM 1207 CA ARG A 80 10.997 -7.063 -5.566 1.00 0.00 C ATOM 1208 C ARG A 80 10.168 -6.220 -4.602 1.00 0.00 C ATOM 1209 O ARG A 80 10.640 -5.210 -4.080 1.00 0.00 O ATOM 1210 CB ARG A 80 11.559 -8.285 -4.837 1.00 0.00 C ATOM 1211 CG ARG A 80 10.508 -9.079 -4.080 1.00 0.00 C ATOM 1212 CD ARG A 80 11.008 -10.472 -3.727 1.00 0.00 C ATOM 1213 NE ARG A 80 9.916 -11.435 -3.623 1.00 0.00 N ATOM 1214 CZ ARG A 80 10.097 -12.751 -3.588 1.00 0.00 C ATOM 1215 NH1 ARG A 80 11.322 -13.256 -3.648 1.00 0.00 N ATOM 1216 NH2 ARG A 80 9.053 -13.563 -3.492 1.00 0.00 N ATOM 0 H ARG A 80 12.924 -6.236 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 80 10.351 -7.398 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 80 12.044 -8.939 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.329 -7.958 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.236 -8.547 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.605 -9.158 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.715 -10.806 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.549 -10.434 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 80 8.962 -11.078 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.127 -12.634 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.459 -14.266 -3.621 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.110 -13.178 -3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.193 -14.573 -3.465 1.00 0.00 H new ATOM 1230 N LEU A 81 8.930 -6.642 -4.371 1.00 0.00 N ATOM 1231 CA LEU A 81 8.032 -5.926 -3.470 1.00 0.00 C ATOM 1232 C LEU A 81 7.946 -6.627 -2.118 1.00 0.00 C ATOM 1233 O LEU A 81 7.926 -7.856 -2.046 1.00 0.00 O ATOM 1234 CB LEU A 81 6.638 -5.813 -4.089 1.00 0.00 C ATOM 1235 CG LEU A 81 5.813 -4.597 -3.669 1.00 0.00 C ATOM 1236 CD1 LEU A 81 5.646 -4.562 -2.157 1.00 0.00 C ATOM 1237 CD2 LEU A 81 6.464 -3.313 -4.165 1.00 0.00 C ATOM 0 H LEU A 81 8.524 -7.476 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 81 8.435 -4.925 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.744 -5.797 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.076 -6.712 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 81 4.825 -4.678 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.056 -3.690 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.136 -5.467 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.626 -4.505 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.863 -2.458 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.464 -3.225 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.531 -3.336 -5.253 1.00 0.00 H new ATOM 1249 N ILE A 82 7.892 -5.838 -1.051 1.00 0.00 N ATOM 1250 CA ILE A 82 7.803 -6.383 0.298 1.00 0.00 C ATOM 1251 C ILE A 82 6.753 -5.644 1.121 1.00 0.00 C ATOM 1252 O ILE A 82 6.131 -6.220 2.015 1.00 0.00 O ATOM 1253 CB ILE A 82 9.158 -6.305 1.026 1.00 0.00 C ATOM 1254 CG1 ILE A 82 9.518 -4.849 1.327 1.00 0.00 C ATOM 1255 CG2 ILE A 82 10.246 -6.964 0.192 1.00 0.00 C ATOM 1256 CD1 ILE A 82 10.094 -4.110 0.139 1.00 0.00 C ATOM 0 H ILE A 82 7.908 -4.819 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 82 7.513 -7.429 0.198 1.00 0.00 H new ATOM 0 HB ILE A 82 9.077 -6.842 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.626 -4.327 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.238 -4.823 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.198 -6.901 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.993 -8.011 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.329 -6.453 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.326 -3.084 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.005 -4.608 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.367 -4.104 -0.673 1.00 0.00 H new ATOM 1268 N LEU A 83 6.560 -4.367 0.814 1.00 0.00 N ATOM 1269 CA LEU A 83 5.582 -3.549 1.525 1.00 0.00 C ATOM 1270 C LEU A 83 4.523 -3.011 0.567 1.00 0.00 C ATOM 1271 O LEU A 83 4.844 -2.378 -0.437 1.00 0.00 O ATOM 1272 CB LEU A 83 6.281 -2.387 2.233 1.00 0.00 C ATOM 1273 CG LEU A 83 5.423 -1.150 2.500 1.00 0.00 C ATOM 1274 CD1 LEU A 83 4.363 -1.450 3.548 1.00 0.00 C ATOM 1275 CD2 LEU A 83 6.292 0.019 2.939 1.00 0.00 C ATOM 0 H LEU A 83 7.067 -3.875 0.078 1.00 0.00 H new ATOM 0 HA LEU A 83 5.089 -4.177 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.668 -2.748 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.140 -2.086 1.633 1.00 0.00 H new ATOM 0 HG LEU A 83 4.920 -0.875 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.763 -0.557 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.720 -2.256 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.846 -1.752 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.664 0.890 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.824 -0.246 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.012 0.252 2.155 1.00 0.00 H new ATOM 1287 N ASN A 84 3.259 -3.268 0.888 1.00 0.00 N ATOM 1288 CA ASN A 84 2.151 -2.810 0.057 1.00 0.00 C ATOM 1289 C ASN A 84 0.857 -2.750 0.862 1.00 0.00 C ATOM 1290 O ASN A 84 0.248 -3.779 1.158 1.00 0.00 O ATOM 1291 CB ASN A 84 1.974 -3.735 -1.148 1.00 0.00 C ATOM 1292 CG ASN A 84 0.652 -3.511 -1.859 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -0.411 -3.836 -1.332 1.00 0.00 O ATOM 1294 ND2 ASN A 84 0.716 -2.954 -3.063 1.00 0.00 N ATOM 0 H ASN A 84 2.977 -3.791 1.717 1.00 0.00 H new ATOM 0 HA ASN A 84 2.385 -1.806 -0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.793 -3.574 -1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.035 -4.772 -0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.140 -2.779 -3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.621 -2.701 -3.460 1.00 0.00 H new ATOM 1301 N THR A 85 0.439 -1.538 1.212 1.00 0.00 N ATOM 1302 CA THR A 85 -0.783 -1.343 1.982 1.00 0.00 C ATOM 1303 C THR A 85 -1.552 -0.120 1.493 1.00 0.00 C ATOM 1304 O THR A 85 -0.973 0.802 0.920 1.00 0.00 O ATOM 1305 CB THR A 85 -0.480 -1.178 3.483 1.00 0.00 C ATOM 1306 OG1 THR A 85 -1.685 -1.322 4.244 1.00 0.00 O ATOM 1307 CG2 THR A 85 0.143 0.181 3.764 1.00 0.00 C ATOM 0 H THR A 85 0.929 -0.676 0.974 1.00 0.00 H new ATOM 0 HA THR A 85 -1.394 -2.234 1.838 1.00 0.00 H new ATOM 0 HB THR A 85 0.230 -1.952 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.565 -0.915 5.127 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.348 0.274 4.831 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.074 0.277 3.206 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.546 0.968 3.457 1.00 0.00 H new ATOM 1315 N LYS A 86 -2.860 -0.119 1.724 1.00 0.00 N ATOM 1316 CA LYS A 86 -3.710 0.991 1.310 1.00 0.00 C ATOM 1317 C LYS A 86 -3.973 1.940 2.475 1.00 0.00 C ATOM 1318 O LYS A 86 -4.463 1.526 3.527 1.00 0.00 O ATOM 1319 CB LYS A 86 -5.036 0.465 0.756 1.00 0.00 C ATOM 1320 CG LYS A 86 -5.867 1.528 0.057 1.00 0.00 C ATOM 1321 CD LYS A 86 -7.292 1.055 -0.179 1.00 0.00 C ATOM 1322 CE LYS A 86 -7.385 0.162 -1.407 1.00 0.00 C ATOM 1323 NZ LYS A 86 -8.791 -0.231 -1.703 1.00 0.00 N ATOM 0 H LYS A 86 -3.355 -0.875 2.196 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.189 1.542 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.832 -0.344 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.618 0.039 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.879 2.436 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.405 1.784 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.646 0.510 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.947 1.917 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.965 0.683 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.783 -0.733 -1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.811 -0.839 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.184 -0.750 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.361 0.622 -1.877 1.00 0.00 H new ATOM 1337 N LEU A 87 -3.647 3.212 2.281 1.00 0.00 N ATOM 1338 CA LEU A 87 -3.849 4.220 3.316 1.00 0.00 C ATOM 1339 C LEU A 87 -5.311 4.269 3.750 1.00 0.00 C ATOM 1340 O LEU A 87 -6.217 4.112 2.932 1.00 0.00 O ATOM 1341 CB LEU A 87 -3.411 5.596 2.808 1.00 0.00 C ATOM 1342 CG LEU A 87 -1.931 5.738 2.450 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -1.746 6.760 1.339 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -1.120 6.129 3.677 1.00 0.00 C ATOM 0 H LEU A 87 -3.241 3.571 1.417 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.241 3.947 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.003 5.841 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.653 6.337 3.570 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.570 4.774 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.687 6.847 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.294 6.438 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.124 7.728 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.069 6.225 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.483 7.081 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.226 5.361 4.443 1.00 0.00 H new ATOM 1356 N TRP A 88 -5.531 4.489 5.041 1.00 0.00 N ATOM 1357 CA TRP A 88 -6.884 4.561 5.583 1.00 0.00 C ATOM 1358 C TRP A 88 -7.095 5.863 6.349 1.00 0.00 C ATOM 1359 O TRP A 88 -6.139 6.483 6.812 1.00 0.00 O ATOM 1360 CB TRP A 88 -7.151 3.366 6.500 1.00 0.00 C ATOM 1361 CG TRP A 88 -6.198 3.277 7.654 1.00 0.00 C ATOM 1362 CD1 TRP A 88 -6.377 3.791 8.906 1.00 0.00 C ATOM 1363 CD2 TRP A 88 -4.917 2.637 7.659 1.00 0.00 C ATOM 1364 NE1 TRP A 88 -5.284 3.509 9.690 1.00 0.00 N ATOM 1365 CE2 TRP A 88 -4.376 2.802 8.949 1.00 0.00 C ATOM 1366 CE3 TRP A 88 -4.177 1.940 6.701 1.00 0.00 C ATOM 1367 CZ2 TRP A 88 -3.128 2.295 9.302 1.00 0.00 C ATOM 1368 CZ3 TRP A 88 -2.938 1.439 7.053 1.00 0.00 C ATOM 1369 CH2 TRP A 88 -2.424 1.617 8.344 1.00 0.00 C ATOM 0 H TRP A 88 -4.792 4.620 5.731 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.585 4.535 4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -8.169 3.432 6.883 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.089 2.448 5.916 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.249 4.338 9.232 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.168 3.782 10.666 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.566 1.795 5.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.730 2.432 10.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.356 0.901 6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.453 1.211 8.588 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.354 6.270 6.479 1.00 0.00 N ATOM 1381 CA ALA A 89 -8.689 7.497 7.191 1.00 0.00 C ATOM 1382 C ALA A 89 -8.019 7.538 8.560 1.00 0.00 C ATOM 1383 O ALA A 89 -7.432 8.550 8.943 1.00 0.00 O ATOM 1384 CB ALA A 89 -10.198 7.626 7.337 1.00 0.00 C ATOM 0 H ALA A 89 -9.158 5.768 6.101 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.317 8.339 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.435 8.547 7.871 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.658 7.650 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.584 6.773 7.896 1.00 0.00 H new ATOM 1390 N GLN A 90 -8.109 6.433 9.292 1.00 0.00 N ATOM 1391 CA GLN A 90 -7.511 6.345 10.620 1.00 0.00 C ATOM 1392 C GLN A 90 -6.027 6.010 10.526 1.00 0.00 C ATOM 1393 O GLN A 90 -5.473 5.352 11.407 1.00 0.00 O ATOM 1394 CB GLN A 90 -8.233 5.288 11.458 1.00 0.00 C ATOM 1395 CG GLN A 90 -9.737 5.499 11.539 1.00 0.00 C ATOM 1396 CD GLN A 90 -10.120 6.609 12.498 1.00 0.00 C ATOM 1397 OE1 GLN A 90 -10.097 6.427 13.716 1.00 0.00 O ATOM 1398 NE2 GLN A 90 -10.475 7.766 11.954 1.00 0.00 N ATOM 0 H GLN A 90 -8.590 5.586 8.989 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.616 7.316 11.104 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.035 4.303 11.035 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.819 5.291 12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.121 5.733 10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.214 4.571 11.854 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.480 7.872 10.940 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.743 8.549 12.550 1.00 0.00 H new ATOM 1407 N MET A 91 -5.388 6.467 9.455 1.00 0.00 N ATOM 1408 CA MET A 91 -3.966 6.216 9.247 1.00 0.00 C ATOM 1409 C MET A 91 -3.125 6.995 10.253 1.00 0.00 C ATOM 1410 O MET A 91 -3.435 8.140 10.581 1.00 0.00 O ATOM 1411 CB MET A 91 -3.562 6.597 7.823 1.00 0.00 C ATOM 1412 CG MET A 91 -2.057 6.658 7.614 1.00 0.00 C ATOM 1413 SD MET A 91 -1.239 5.097 7.998 1.00 0.00 S ATOM 1414 CE MET A 91 -0.468 4.723 6.425 1.00 0.00 C ATOM 0 H MET A 91 -5.832 7.013 8.717 1.00 0.00 H new ATOM 0 HA MET A 91 -3.784 5.151 9.395 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.988 5.874 7.127 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.994 7.567 7.579 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.848 6.928 6.579 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.639 7.447 8.240 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.456 4.170 6.595 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.146 4.120 5.822 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.244 5.651 5.900 1.00 0.00 H new ATOM 1424 N GLN A 92 -2.059 6.366 10.740 1.00 0.00 N ATOM 1425 CA GLN A 92 -1.174 7.001 11.709 1.00 0.00 C ATOM 1426 C GLN A 92 0.177 7.325 11.082 1.00 0.00 C ATOM 1427 O GLN A 92 0.840 6.449 10.527 1.00 0.00 O ATOM 1428 CB GLN A 92 -0.982 6.094 12.926 1.00 0.00 C ATOM 1429 CG GLN A 92 -2.089 6.219 13.960 1.00 0.00 C ATOM 1430 CD GLN A 92 -2.282 4.949 14.764 1.00 0.00 C ATOM 1431 OE1 GLN A 92 -2.650 3.906 14.222 1.00 0.00 O ATOM 1432 NE2 GLN A 92 -2.034 5.029 16.066 1.00 0.00 N ATOM 0 H GLN A 92 -1.788 5.418 10.479 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.637 7.934 12.030 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.925 5.058 12.591 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.028 6.330 13.397 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.858 7.041 14.637 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.023 6.472 13.458 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.731 5.913 16.474 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.147 4.206 16.658 1.00 0.00 H new ATOM 1441 N ILE A 93 0.579 8.588 11.174 1.00 0.00 N ATOM 1442 CA ILE A 93 1.852 9.027 10.616 1.00 0.00 C ATOM 1443 C ILE A 93 2.405 10.224 11.383 1.00 0.00 C ATOM 1444 O ILE A 93 1.698 11.204 11.616 1.00 0.00 O ATOM 1445 CB ILE A 93 1.715 9.402 9.129 1.00 0.00 C ATOM 1446 CG1 ILE A 93 2.877 10.300 8.698 1.00 0.00 C ATOM 1447 CG2 ILE A 93 0.383 10.094 8.877 1.00 0.00 C ATOM 1448 CD1 ILE A 93 2.829 10.692 7.238 1.00 0.00 C ATOM 0 H ILE A 93 0.041 9.325 11.630 1.00 0.00 H new ATOM 0 HA ILE A 93 2.543 8.189 10.708 1.00 0.00 H new ATOM 0 HB ILE A 93 1.746 8.488 8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.873 11.203 9.308 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.817 9.785 8.897 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.301 10.353 7.821 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.432 9.424 9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.325 11.001 9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.683 11.328 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.864 9.795 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.906 11.236 7.037 1.00 0.00 H new ATOM 1460 N ASP A 94 3.673 10.137 11.768 1.00 0.00 N ATOM 1461 CA ASP A 94 4.323 11.215 12.505 1.00 0.00 C ATOM 1462 C ASP A 94 5.748 11.432 12.007 1.00 0.00 C ATOM 1463 O ASP A 94 6.478 10.476 11.745 1.00 0.00 O ATOM 1464 CB ASP A 94 4.335 10.903 14.003 1.00 0.00 C ATOM 1465 CG ASP A 94 3.082 10.177 14.453 1.00 0.00 C ATOM 1466 OD1 ASP A 94 3.006 8.945 14.258 1.00 0.00 O ATOM 1467 OD2 ASP A 94 2.176 10.841 15.001 1.00 0.00 O ATOM 0 H ASP A 94 4.271 9.332 11.582 1.00 0.00 H new ATOM 0 HA ASP A 94 3.755 12.130 12.337 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.208 10.294 14.237 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.434 11.832 14.564 1.00 0.00 H new ATOM 1472 N LYS A 95 6.138 12.695 11.878 1.00 0.00 N ATOM 1473 CA LYS A 95 7.476 13.040 11.412 1.00 0.00 C ATOM 1474 C LYS A 95 8.454 13.123 12.579 1.00 0.00 C ATOM 1475 O LYS A 95 8.526 14.139 13.269 1.00 0.00 O ATOM 1476 CB LYS A 95 7.449 14.372 10.659 1.00 0.00 C ATOM 1477 CG LYS A 95 8.788 14.758 10.056 1.00 0.00 C ATOM 1478 CD LYS A 95 8.964 14.169 8.666 1.00 0.00 C ATOM 1479 CE LYS A 95 9.842 15.052 7.793 1.00 0.00 C ATOM 1480 NZ LYS A 95 9.235 16.393 7.573 1.00 0.00 N ATOM 0 H LYS A 95 5.546 13.498 12.090 1.00 0.00 H new ATOM 0 HA LYS A 95 7.811 12.254 10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.705 14.315 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.127 15.159 11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.865 15.844 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.593 14.411 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.408 13.176 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.988 14.046 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.819 15.168 8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.005 14.565 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.673 16.841 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.213 16.289 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.394 16.988 8.411 1.00 0.00 H new ATOM 1494 N ALA A 96 9.207 12.048 12.792 1.00 0.00 N ATOM 1495 CA ALA A 96 10.184 12.002 13.873 1.00 0.00 C ATOM 1496 C ALA A 96 11.321 12.988 13.628 1.00 0.00 C ATOM 1497 O ALA A 96 11.769 13.674 14.546 1.00 0.00 O ATOM 1498 CB ALA A 96 10.730 10.590 14.030 1.00 0.00 C ATOM 0 H ALA A 96 9.159 11.198 12.230 1.00 0.00 H new ATOM 0 HA ALA A 96 9.682 12.290 14.797 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.459 10.570 14.841 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.912 9.907 14.260 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.211 10.281 13.102 1.00 0.00 H new ATOM 1504 N SER A 97 11.785 13.051 12.383 1.00 0.00 N ATOM 1505 CA SER A 97 12.874 13.949 12.018 1.00 0.00 C ATOM 1506 C SER A 97 12.783 14.345 10.547 1.00 0.00 C ATOM 1507 O SER A 97 11.921 13.859 9.816 1.00 0.00 O ATOM 1508 CB SER A 97 14.225 13.288 12.298 1.00 0.00 C ATOM 1509 OG SER A 97 15.234 14.259 12.513 1.00 0.00 O ATOM 0 H SER A 97 11.423 12.491 11.611 1.00 0.00 H new ATOM 0 HA SER A 97 12.787 14.850 12.625 1.00 0.00 H new ATOM 0 HB2 SER A 97 14.144 12.644 13.174 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.502 12.651 11.458 1.00 0.00 H new ATOM 0 HG SER A 97 16.087 13.811 12.691 1.00 0.00 H new ATOM 1515 N GLU A 98 13.678 15.230 10.123 1.00 0.00 N ATOM 1516 CA GLU A 98 13.698 15.692 8.740 1.00 0.00 C ATOM 1517 C GLU A 98 14.340 14.650 7.828 1.00 0.00 C ATOM 1518 O GLU A 98 14.477 14.862 6.622 1.00 0.00 O ATOM 1519 CB GLU A 98 14.457 17.017 8.631 1.00 0.00 C ATOM 1520 CG GLU A 98 15.967 16.853 8.605 1.00 0.00 C ATOM 1521 CD GLU A 98 16.699 18.164 8.811 1.00 0.00 C ATOM 1522 OE1 GLU A 98 16.854 18.920 7.828 1.00 0.00 O ATOM 1523 OE2 GLU A 98 17.119 18.436 9.957 1.00 0.00 O ATOM 0 H GLU A 98 14.399 15.642 10.716 1.00 0.00 H new ATOM 0 HA GLU A 98 12.667 15.845 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.140 17.534 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.183 17.653 9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.266 16.148 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.265 16.421 7.650 1.00 0.00 H new ATOM 1530 N LYS A 99 14.734 13.523 8.412 1.00 0.00 N ATOM 1531 CA LYS A 99 15.360 12.446 7.654 1.00 0.00 C ATOM 1532 C LYS A 99 14.634 11.125 7.884 1.00 0.00 C ATOM 1533 O LYS A 99 14.666 10.233 7.036 1.00 0.00 O ATOM 1534 CB LYS A 99 16.832 12.307 8.049 1.00 0.00 C ATOM 1535 CG LYS A 99 17.686 13.497 7.643 1.00 0.00 C ATOM 1536 CD LYS A 99 19.094 13.389 8.203 1.00 0.00 C ATOM 1537 CE LYS A 99 20.088 14.185 7.372 1.00 0.00 C ATOM 1538 NZ LYS A 99 21.367 14.411 8.101 1.00 0.00 N ATOM 0 H LYS A 99 14.631 13.332 9.409 1.00 0.00 H new ATOM 0 HA LYS A 99 15.296 12.695 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.899 12.174 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.239 11.405 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.730 13.561 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.222 14.417 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.106 13.751 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.397 12.342 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.290 13.655 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.649 15.146 7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.017 14.957 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.179 14.939 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.799 13.495 8.336 1.00 0.00 H new ATOM 1552 N SER A 100 13.980 11.007 9.034 1.00 0.00 N ATOM 1553 CA SER A 100 13.248 9.793 9.376 1.00 0.00 C ATOM 1554 C SER A 100 11.746 10.060 9.425 1.00 0.00 C ATOM 1555 O SER A 100 11.312 11.177 9.710 1.00 0.00 O ATOM 1556 CB SER A 100 13.723 9.248 10.724 1.00 0.00 C ATOM 1557 OG SER A 100 13.352 10.112 11.784 1.00 0.00 O ATOM 0 H SER A 100 13.942 11.737 9.745 1.00 0.00 H new ATOM 0 HA SER A 100 13.444 9.051 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.296 8.259 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.806 9.129 10.710 1.00 0.00 H new ATOM 0 HG SER A 100 13.666 9.740 12.634 1.00 0.00 H new ATOM 1563 N ILE A 101 10.958 9.027 9.144 1.00 0.00 N ATOM 1564 CA ILE A 101 9.506 9.149 9.155 1.00 0.00 C ATOM 1565 C ILE A 101 8.856 7.908 9.757 1.00 0.00 C ATOM 1566 O ILE A 101 9.249 6.780 9.457 1.00 0.00 O ATOM 1567 CB ILE A 101 8.948 9.372 7.737 1.00 0.00 C ATOM 1568 CG1 ILE A 101 9.804 10.391 6.983 1.00 0.00 C ATOM 1569 CG2 ILE A 101 7.500 9.834 7.804 1.00 0.00 C ATOM 1570 CD1 ILE A 101 9.600 10.360 5.484 1.00 0.00 C ATOM 0 H ILE A 101 11.301 8.096 8.906 1.00 0.00 H new ATOM 0 HA ILE A 101 9.266 10.017 9.770 1.00 0.00 H new ATOM 0 HB ILE A 101 8.982 8.426 7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.574 11.391 7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.855 10.204 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.120 9.987 6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.899 9.076 8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.442 10.770 8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.238 11.108 5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.857 9.372 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.557 10.577 5.254 1.00 0.00 H new ATOM 1582 N HIS A 102 7.856 8.123 10.606 1.00 0.00 N ATOM 1583 CA HIS A 102 7.148 7.022 11.249 1.00 0.00 C ATOM 1584 C HIS A 102 5.727 6.899 10.706 1.00 0.00 C ATOM 1585 O HIS A 102 4.919 7.818 10.845 1.00 0.00 O ATOM 1586 CB HIS A 102 7.112 7.225 12.764 1.00 0.00 C ATOM 1587 CG HIS A 102 8.431 6.985 13.432 1.00 0.00 C ATOM 1588 ND1 HIS A 102 8.560 6.295 14.618 1.00 0.00 N ATOM 1589 CD2 HIS A 102 9.685 7.347 13.071 1.00 0.00 C ATOM 1590 CE1 HIS A 102 9.835 6.244 14.960 1.00 0.00 C ATOM 1591 NE2 HIS A 102 10.539 6.875 14.037 1.00 0.00 N ATOM 0 H HIS A 102 7.518 9.050 10.865 1.00 0.00 H new ATOM 0 HA HIS A 102 7.684 6.099 11.027 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.785 8.243 12.978 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.369 6.554 13.195 1.00 0.00 H new ATOM 0 HD1 HIS A 102 7.791 5.887 15.149 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.962 7.903 12.188 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.234 5.768 15.843 1.00 0.00 H new ATOM 1599 N ILE A 103 5.430 5.761 10.089 1.00 0.00 N ATOM 1600 CA ILE A 103 4.107 5.520 9.527 1.00 0.00 C ATOM 1601 C ILE A 103 3.623 4.110 9.848 1.00 0.00 C ATOM 1602 O ILE A 103 4.423 3.197 10.050 1.00 0.00 O ATOM 1603 CB ILE A 103 4.100 5.718 8.000 1.00 0.00 C ATOM 1604 CG1 ILE A 103 4.901 4.608 7.316 1.00 0.00 C ATOM 1605 CG2 ILE A 103 4.665 7.084 7.640 1.00 0.00 C ATOM 1606 CD1 ILE A 103 4.311 4.161 5.997 1.00 0.00 C ATOM 0 H ILE A 103 6.088 4.991 9.965 1.00 0.00 H new ATOM 0 HA ILE A 103 3.433 6.246 9.982 1.00 0.00 H new ATOM 0 HB ILE A 103 3.070 5.668 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.920 4.957 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.963 3.750 7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.653 7.209 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.057 7.862 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.690 7.161 8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.931 3.373 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.302 3.781 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.274 5.006 5.310 1.00 0.00 H new ATOM 1618 N THR A 104 2.305 3.939 9.892 1.00 0.00 N ATOM 1619 CA THR A 104 1.713 2.641 10.188 1.00 0.00 C ATOM 1620 C THR A 104 1.196 1.970 8.919 1.00 0.00 C ATOM 1621 O THR A 104 0.324 2.505 8.235 1.00 0.00 O ATOM 1622 CB THR A 104 0.554 2.768 11.194 1.00 0.00 C ATOM 1623 OG1 THR A 104 -0.306 3.849 10.818 1.00 0.00 O ATOM 1624 CG2 THR A 104 1.084 3.001 12.601 1.00 0.00 C ATOM 0 H THR A 104 1.628 4.684 9.726 1.00 0.00 H new ATOM 0 HA THR A 104 2.500 2.028 10.627 1.00 0.00 H new ATOM 0 HB THR A 104 -0.011 1.836 11.184 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.361 3.899 9.841 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.248 3.088 13.295 1.00 0.00 H new ATOM 0 HG22 THR A 104 1.715 2.162 12.896 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.669 3.920 12.622 1.00 0.00 H new ATOM 1632 N ALA A 105 1.740 0.798 8.612 1.00 0.00 N ATOM 1633 CA ALA A 105 1.331 0.053 7.427 1.00 0.00 C ATOM 1634 C ALA A 105 1.203 -1.436 7.731 1.00 0.00 C ATOM 1635 O ALA A 105 1.744 -1.925 8.722 1.00 0.00 O ATOM 1636 CB ALA A 105 2.321 0.280 6.294 1.00 0.00 C ATOM 0 H ALA A 105 2.465 0.343 9.167 1.00 0.00 H new ATOM 0 HA ALA A 105 0.352 0.419 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.004 -0.282 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.359 1.342 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.311 -0.057 6.602 1.00 0.00 H new ATOM 1642 N MET A 106 0.484 -2.150 6.872 1.00 0.00 N ATOM 1643 CA MET A 106 0.286 -3.585 7.050 1.00 0.00 C ATOM 1644 C MET A 106 1.434 -4.373 6.428 1.00 0.00 C ATOM 1645 O MET A 106 2.359 -3.795 5.857 1.00 0.00 O ATOM 1646 CB MET A 106 -1.042 -4.019 6.427 1.00 0.00 C ATOM 1647 CG MET A 106 -2.239 -3.810 7.340 1.00 0.00 C ATOM 1648 SD MET A 106 -3.799 -3.740 6.438 1.00 0.00 S ATOM 1649 CE MET A 106 -4.972 -3.715 7.791 1.00 0.00 C ATOM 0 H MET A 106 0.029 -1.760 6.047 1.00 0.00 H new ATOM 0 HA MET A 106 0.263 -3.794 8.120 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.199 -3.463 5.503 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.980 -5.074 6.158 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.281 -4.620 8.068 1.00 0.00 H new ATOM 0 HG3 MET A 106 -2.106 -2.884 7.900 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.985 -3.798 7.396 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.774 -4.553 8.460 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.872 -2.780 8.342 1.00 0.00 H new ATOM 1659 N ASP A 107 1.368 -5.694 6.544 1.00 0.00 N ATOM 1660 CA ASP A 107 2.403 -6.563 5.993 1.00 0.00 C ATOM 1661 C ASP A 107 1.826 -7.482 4.920 1.00 0.00 C ATOM 1662 O ASP A 107 0.609 -7.608 4.784 1.00 0.00 O ATOM 1663 CB ASP A 107 3.046 -7.394 7.103 1.00 0.00 C ATOM 1664 CG ASP A 107 4.148 -6.644 7.825 1.00 0.00 C ATOM 1665 OD1 ASP A 107 3.898 -5.503 8.264 1.00 0.00 O ATOM 1666 OD2 ASP A 107 5.260 -7.198 7.949 1.00 0.00 O ATOM 0 H ASP A 107 0.609 -6.188 7.014 1.00 0.00 H new ATOM 0 HA ASP A 107 3.166 -5.933 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.281 -7.689 7.821 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.454 -8.311 6.677 1.00 0.00 H new ATOM 1671 N THR A 108 2.709 -8.122 4.160 1.00 0.00 N ATOM 1672 CA THR A 108 2.288 -9.028 3.098 1.00 0.00 C ATOM 1673 C THR A 108 2.181 -10.461 3.608 1.00 0.00 C ATOM 1674 O THR A 108 1.243 -11.180 3.271 1.00 0.00 O ATOM 1675 CB THR A 108 3.264 -8.989 1.907 1.00 0.00 C ATOM 1676 OG1 THR A 108 4.553 -9.460 2.316 1.00 0.00 O ATOM 1677 CG2 THR A 108 3.385 -7.578 1.352 1.00 0.00 C ATOM 0 H THR A 108 3.720 -8.030 4.260 1.00 0.00 H new ATOM 0 HA THR A 108 1.307 -8.691 2.765 1.00 0.00 H new ATOM 0 HB THR A 108 2.873 -9.637 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.168 -9.434 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.080 -7.576 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.407 -7.234 1.015 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.755 -6.911 2.131 1.00 0.00 H new ATOM 1685 N GLU A 109 3.151 -10.868 4.421 1.00 0.00 N ATOM 1686 CA GLU A 109 3.166 -12.216 4.977 1.00 0.00 C ATOM 1687 C GLU A 109 2.672 -12.215 6.421 1.00 0.00 C ATOM 1688 O GLU A 109 1.865 -13.058 6.813 1.00 0.00 O ATOM 1689 CB GLU A 109 4.576 -12.804 4.909 1.00 0.00 C ATOM 1690 CG GLU A 109 5.128 -12.903 3.497 1.00 0.00 C ATOM 1691 CD GLU A 109 6.119 -14.039 3.335 1.00 0.00 C ATOM 1692 OE1 GLU A 109 5.744 -15.198 3.610 1.00 0.00 O ATOM 1693 OE2 GLU A 109 7.270 -13.768 2.932 1.00 0.00 O ATOM 0 H GLU A 109 3.936 -10.284 4.709 1.00 0.00 H new ATOM 0 HA GLU A 109 2.494 -12.834 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.246 -12.189 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.568 -13.798 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.304 -13.043 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.613 -11.963 3.234 1.00 0.00 H new ATOM 1700 N ASP A 110 3.162 -11.263 7.207 1.00 0.00 N ATOM 1701 CA ASP A 110 2.772 -11.151 8.607 1.00 0.00 C ATOM 1702 C ASP A 110 1.286 -10.830 8.732 1.00 0.00 C ATOM 1703 O ASP A 110 0.615 -11.304 9.649 1.00 0.00 O ATOM 1704 CB ASP A 110 3.600 -10.070 9.304 1.00 0.00 C ATOM 1705 CG ASP A 110 3.439 -10.100 10.812 1.00 0.00 C ATOM 1706 OD1 ASP A 110 2.383 -10.566 11.286 1.00 0.00 O ATOM 1707 OD2 ASP A 110 4.371 -9.658 11.516 1.00 0.00 O ATOM 0 H ASP A 110 3.831 -10.557 6.898 1.00 0.00 H new ATOM 0 HA ASP A 110 2.961 -12.110 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 110 4.652 -10.202 9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.303 -9.091 8.929 1.00 0.00 H new ATOM 1712 N GLN A 111 0.779 -10.024 7.805 1.00 0.00 N ATOM 1713 CA GLN A 111 -0.627 -9.640 7.815 1.00 0.00 C ATOM 1714 C GLN A 111 -0.967 -8.844 9.070 1.00 0.00 C ATOM 1715 O GLN A 111 -2.019 -9.042 9.677 1.00 0.00 O ATOM 1716 CB GLN A 111 -1.517 -10.881 7.727 1.00 0.00 C ATOM 1717 CG GLN A 111 -1.381 -11.635 6.414 1.00 0.00 C ATOM 1718 CD GLN A 111 -2.618 -12.442 6.074 1.00 0.00 C ATOM 1719 OE1 GLN A 111 -2.585 -13.673 6.053 1.00 0.00 O ATOM 1720 NE2 GLN A 111 -3.721 -11.753 5.804 1.00 0.00 N ATOM 0 H GLN A 111 1.320 -9.625 7.038 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.810 -9.007 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -1.272 -11.553 8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.557 -10.582 7.859 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -1.183 -10.925 5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.521 -12.302 6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.705 -10.734 5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.584 -12.243 5.568 1.00 0.00 H new ATOM 1729 N GLY A 112 -0.068 -7.944 9.456 1.00 0.00 N ATOM 1730 CA GLY A 112 -0.290 -7.132 10.638 1.00 0.00 C ATOM 1731 C GLY A 112 0.049 -5.672 10.412 1.00 0.00 C ATOM 1732 O GLY A 112 0.935 -5.348 9.621 1.00 0.00 O ATOM 0 H GLY A 112 0.811 -7.763 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.333 -7.216 10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.314 -7.519 11.459 1.00 0.00 H new ATOM 1736 N VAL A 113 -0.659 -4.786 11.106 1.00 0.00 N ATOM 1737 CA VAL A 113 -0.429 -3.353 10.976 1.00 0.00 C ATOM 1738 C VAL A 113 0.728 -2.900 11.858 1.00 0.00 C ATOM 1739 O VAL A 113 0.545 -2.603 13.039 1.00 0.00 O ATOM 1740 CB VAL A 113 -1.689 -2.547 11.347 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -1.356 -1.068 11.476 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -2.784 -2.768 10.314 1.00 0.00 C ATOM 0 H VAL A 113 -1.397 -5.036 11.764 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.181 -3.166 9.931 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.055 -2.898 12.312 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.257 -0.514 11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.606 -0.931 12.255 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.966 -0.699 10.527 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.667 -2.192 10.591 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.431 -2.444 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.039 -3.827 10.275 1.00 0.00 H new ATOM 1752 N LYS A 114 1.923 -2.849 11.278 1.00 0.00 N ATOM 1753 CA LYS A 114 3.112 -2.431 12.010 1.00 0.00 C ATOM 1754 C LYS A 114 3.609 -1.076 11.513 1.00 0.00 C ATOM 1755 O LYS A 114 3.368 -0.699 10.367 1.00 0.00 O ATOM 1756 CB LYS A 114 4.220 -3.477 11.864 1.00 0.00 C ATOM 1757 CG LYS A 114 4.542 -3.824 10.421 1.00 0.00 C ATOM 1758 CD LYS A 114 5.418 -5.061 10.328 1.00 0.00 C ATOM 1759 CE LYS A 114 4.641 -6.322 10.676 1.00 0.00 C ATOM 1760 NZ LYS A 114 4.632 -6.579 12.144 1.00 0.00 N ATOM 0 H LYS A 114 2.093 -3.092 10.302 1.00 0.00 H new ATOM 0 HA LYS A 114 2.846 -2.337 13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.123 -3.108 12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.923 -4.385 12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.616 -3.990 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.048 -2.982 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.821 -5.148 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.268 -4.958 11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.616 -6.228 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.082 -7.175 10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.897 -7.568 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.313 -5.947 12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.680 -6.401 12.522 1.00 0.00 H new ATOM 1774 N VAL A 115 4.304 -0.351 12.383 1.00 0.00 N ATOM 1775 CA VAL A 115 4.837 0.960 12.032 1.00 0.00 C ATOM 1776 C VAL A 115 6.270 0.853 11.522 1.00 0.00 C ATOM 1777 O VAL A 115 7.165 0.414 12.244 1.00 0.00 O ATOM 1778 CB VAL A 115 4.801 1.922 13.235 1.00 0.00 C ATOM 1779 CG1 VAL A 115 5.588 1.345 14.402 1.00 0.00 C ATOM 1780 CG2 VAL A 115 5.340 3.288 12.840 1.00 0.00 C ATOM 0 H VAL A 115 4.511 -0.649 13.336 1.00 0.00 H new ATOM 0 HA VAL A 115 4.202 1.358 11.240 1.00 0.00 H new ATOM 0 HB VAL A 115 3.765 2.044 13.551 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.552 2.038 15.243 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.152 0.391 14.699 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.625 1.192 14.102 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.307 3.955 13.701 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.370 3.188 12.498 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.730 3.702 12.037 1.00 0.00 H new ATOM 1790 N PHE A 116 6.480 1.257 10.273 1.00 0.00 N ATOM 1791 CA PHE A 116 7.805 1.206 9.666 1.00 0.00 C ATOM 1792 C PHE A 116 8.487 2.569 9.734 1.00 0.00 C ATOM 1793 O PHE A 116 7.907 3.544 10.216 1.00 0.00 O ATOM 1794 CB PHE A 116 7.704 0.746 8.211 1.00 0.00 C ATOM 1795 CG PHE A 116 7.086 -0.614 8.053 1.00 0.00 C ATOM 1796 CD1 PHE A 116 5.710 -0.760 7.978 1.00 0.00 C ATOM 1797 CD2 PHE A 116 7.881 -1.747 7.982 1.00 0.00 C ATOM 1798 CE1 PHE A 116 5.138 -2.009 7.832 1.00 0.00 C ATOM 1799 CE2 PHE A 116 7.314 -2.999 7.837 1.00 0.00 C ATOM 1800 CZ PHE A 116 5.941 -3.131 7.763 1.00 0.00 C ATOM 0 H PHE A 116 5.750 1.623 9.662 1.00 0.00 H new ATOM 0 HA PHE A 116 8.407 0.490 10.226 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.115 1.471 7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.701 0.736 7.771 1.00 0.00 H new ATOM 0 HD1 PHE A 116 5.077 0.113 8.034 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.955 -1.650 8.041 1.00 0.00 H new ATOM 0 HE1 PHE A 116 4.064 -2.108 7.772 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.944 -3.874 7.782 1.00 0.00 H new ATOM 0 HZ PHE A 116 5.496 -4.109 7.651 1.00 0.00 H new ATOM 1810 N LEU A 117 9.722 2.631 9.250 1.00 0.00 N ATOM 1811 CA LEU A 117 10.485 3.874 9.255 1.00 0.00 C ATOM 1812 C LEU A 117 10.949 4.235 7.848 1.00 0.00 C ATOM 1813 O LEU A 117 11.055 3.370 6.979 1.00 0.00 O ATOM 1814 CB LEU A 117 11.693 3.750 10.186 1.00 0.00 C ATOM 1815 CG LEU A 117 12.296 5.064 10.681 1.00 0.00 C ATOM 1816 CD1 LEU A 117 11.619 5.512 11.968 1.00 0.00 C ATOM 1817 CD2 LEU A 117 13.796 4.918 10.891 1.00 0.00 C ATOM 0 H LEU A 117 10.217 1.834 8.849 1.00 0.00 H new ATOM 0 HA LEU A 117 9.834 4.669 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.399 3.159 11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.470 3.189 9.667 1.00 0.00 H new ATOM 0 HG LEU A 117 12.127 5.826 9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.062 6.449 12.305 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.554 5.658 11.787 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.755 4.750 12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.208 5.864 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.986 4.141 11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.270 4.645 9.949 1.00 0.00 H new ATOM 1829 N ILE A 118 11.225 5.516 7.632 1.00 0.00 N ATOM 1830 CA ILE A 118 11.679 5.990 6.331 1.00 0.00 C ATOM 1831 C ILE A 118 12.869 6.933 6.474 1.00 0.00 C ATOM 1832 O ILE A 118 12.704 8.121 6.752 1.00 0.00 O ATOM 1833 CB ILE A 118 10.554 6.716 5.570 1.00 0.00 C ATOM 1834 CG1 ILE A 118 9.240 5.941 5.698 1.00 0.00 C ATOM 1835 CG2 ILE A 118 10.931 6.893 4.108 1.00 0.00 C ATOM 1836 CD1 ILE A 118 8.011 6.817 5.613 1.00 0.00 C ATOM 0 H ILE A 118 11.142 6.244 8.341 1.00 0.00 H new ATOM 0 HA ILE A 118 11.981 5.109 5.764 1.00 0.00 H new ATOM 0 HB ILE A 118 10.416 7.704 6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.194 5.187 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.232 5.410 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.125 7.408 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.845 7.483 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.093 5.916 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.117 6.201 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.034 7.554 6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.995 7.329 4.651 1.00 0.00 H new ATOM 1848 N SER A 119 14.070 6.395 6.283 1.00 0.00 N ATOM 1849 CA SER A 119 15.289 7.188 6.393 1.00 0.00 C ATOM 1850 C SER A 119 15.775 7.632 5.017 1.00 0.00 C ATOM 1851 O SER A 119 16.005 6.808 4.133 1.00 0.00 O ATOM 1852 CB SER A 119 16.384 6.384 7.098 1.00 0.00 C ATOM 1853 OG SER A 119 17.520 7.189 7.360 1.00 0.00 O ATOM 0 H SER A 119 14.225 5.414 6.051 1.00 0.00 H new ATOM 0 HA SER A 119 15.063 8.076 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.997 5.980 8.034 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.672 5.535 6.479 1.00 0.00 H new ATOM 0 HG SER A 119 18.204 6.652 7.812 1.00 0.00 H new ATOM 1859 N ALA A 120 15.928 8.940 4.844 1.00 0.00 N ATOM 1860 CA ALA A 120 16.388 9.495 3.578 1.00 0.00 C ATOM 1861 C ALA A 120 16.997 10.880 3.773 1.00 0.00 C ATOM 1862 O ALA A 120 17.018 11.408 4.885 1.00 0.00 O ATOM 1863 CB ALA A 120 15.240 9.558 2.581 1.00 0.00 C ATOM 0 H ALA A 120 15.740 9.636 5.566 1.00 0.00 H new ATOM 0 HA ALA A 120 17.163 8.838 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.598 9.975 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.852 8.554 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.447 10.190 2.979 1.00 0.00 H new ATOM 1869 N SER A 121 17.493 11.463 2.686 1.00 0.00 N ATOM 1870 CA SER A 121 18.106 12.784 2.740 1.00 0.00 C ATOM 1871 C SER A 121 17.086 13.841 3.148 1.00 0.00 C ATOM 1872 O SER A 121 15.903 13.737 2.821 1.00 0.00 O ATOM 1873 CB SER A 121 18.714 13.143 1.382 1.00 0.00 C ATOM 1874 OG SER A 121 19.864 12.360 1.115 1.00 0.00 O ATOM 0 H SER A 121 17.482 11.041 1.758 1.00 0.00 H new ATOM 0 HA SER A 121 18.897 12.760 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 121 17.974 12.988 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 121 18.979 14.200 1.367 1.00 0.00 H new ATOM 0 HG SER A 121 20.232 12.607 0.241 1.00 0.00 H new ATOM 1880 N SER A 122 17.551 14.859 3.866 1.00 0.00 N ATOM 1881 CA SER A 122 16.679 15.933 4.323 1.00 0.00 C ATOM 1882 C SER A 122 15.681 16.323 3.237 1.00 0.00 C ATOM 1883 O SER A 122 14.486 16.470 3.498 1.00 0.00 O ATOM 1884 CB SER A 122 17.508 17.153 4.730 1.00 0.00 C ATOM 1885 OG SER A 122 18.361 17.564 3.677 1.00 0.00 O ATOM 0 H SER A 122 18.527 14.962 4.143 1.00 0.00 H new ATOM 0 HA SER A 122 16.124 15.573 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 122 16.844 17.972 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.103 16.915 5.612 1.00 0.00 H new ATOM 0 HG SER A 122 18.879 18.346 3.962 1.00 0.00 H new ATOM 1891 N LYS A 123 16.178 16.489 2.017 1.00 0.00 N ATOM 1892 CA LYS A 123 15.333 16.859 0.888 1.00 0.00 C ATOM 1893 C LYS A 123 14.370 15.730 0.536 1.00 0.00 C ATOM 1894 O LYS A 123 13.160 15.850 0.733 1.00 0.00 O ATOM 1895 CB LYS A 123 16.195 17.207 -0.328 1.00 0.00 C ATOM 1896 CG LYS A 123 15.388 17.482 -1.586 1.00 0.00 C ATOM 1897 CD LYS A 123 14.814 18.888 -1.584 1.00 0.00 C ATOM 1898 CE LYS A 123 14.212 19.246 -2.934 1.00 0.00 C ATOM 1899 NZ LYS A 123 13.431 20.513 -2.875 1.00 0.00 N ATOM 0 H LYS A 123 17.164 16.373 1.784 1.00 0.00 H new ATOM 0 HA LYS A 123 14.749 17.734 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.800 18.083 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.885 16.386 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.022 17.348 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.578 16.757 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.050 18.969 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.598 19.602 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.008 19.344 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.565 18.436 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 13.037 20.722 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.656 20.411 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 14.054 21.292 -2.580 1.00 0.00 H new ATOM 1913 N ASP A 124 14.913 14.636 0.016 1.00 0.00 N ATOM 1914 CA ASP A 124 14.101 13.484 -0.361 1.00 0.00 C ATOM 1915 C ASP A 124 13.050 13.189 0.704 1.00 0.00 C ATOM 1916 O ASP A 124 11.850 13.333 0.466 1.00 0.00 O ATOM 1917 CB ASP A 124 14.987 12.256 -0.575 1.00 0.00 C ATOM 1918 CG ASP A 124 15.877 12.390 -1.796 1.00 0.00 C ATOM 1919 OD1 ASP A 124 16.793 13.238 -1.773 1.00 0.00 O ATOM 1920 OD2 ASP A 124 15.654 11.648 -2.776 1.00 0.00 O ATOM 0 H ASP A 124 15.912 14.522 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 124 13.590 13.720 -1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.607 12.101 0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.358 11.372 -0.682 1.00 0.00 H new ATOM 1925 N THR A 125 13.508 12.772 1.881 1.00 0.00 N ATOM 1926 CA THR A 125 12.607 12.454 2.981 1.00 0.00 C ATOM 1927 C THR A 125 11.460 13.454 3.061 1.00 0.00 C ATOM 1928 O THR A 125 10.311 13.078 3.291 1.00 0.00 O ATOM 1929 CB THR A 125 13.352 12.436 4.330 1.00 0.00 C ATOM 1930 OG1 THR A 125 14.379 11.437 4.309 1.00 0.00 O ATOM 1931 CG2 THR A 125 12.392 12.160 5.476 1.00 0.00 C ATOM 0 H THR A 125 14.497 12.647 2.096 1.00 0.00 H new ATOM 0 HA THR A 125 12.205 11.461 2.782 1.00 0.00 H new ATOM 0 HB THR A 125 13.802 13.417 4.484 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.473 11.045 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.942 12.152 6.417 1.00 0.00 H new ATOM 0 HG22 THR A 125 11.630 12.938 5.507 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.916 11.191 5.326 1.00 0.00 H new ATOM 1939 N GLY A 126 11.779 14.730 2.867 1.00 0.00 N ATOM 1940 CA GLY A 126 10.763 15.765 2.921 1.00 0.00 C ATOM 1941 C GLY A 126 9.689 15.578 1.867 1.00 0.00 C ATOM 1942 O GLY A 126 8.502 15.729 2.151 1.00 0.00 O ATOM 0 H GLY A 126 12.723 15.065 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 126 10.302 15.766 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.233 16.739 2.787 1.00 0.00 H new ATOM 1946 N GLN A 127 10.108 15.249 0.650 1.00 0.00 N ATOM 1947 CA GLN A 127 9.172 15.044 -0.449 1.00 0.00 C ATOM 1948 C GLN A 127 8.116 14.007 -0.079 1.00 0.00 C ATOM 1949 O GLN A 127 6.918 14.289 -0.106 1.00 0.00 O ATOM 1950 CB GLN A 127 9.919 14.600 -1.708 1.00 0.00 C ATOM 1951 CG GLN A 127 10.377 15.756 -2.583 1.00 0.00 C ATOM 1952 CD GLN A 127 11.593 15.410 -3.418 1.00 0.00 C ATOM 1953 OE1 GLN A 127 11.471 14.884 -4.525 1.00 0.00 O ATOM 1954 NE2 GLN A 127 12.777 15.704 -2.892 1.00 0.00 N ATOM 0 H GLN A 127 11.088 15.119 0.400 1.00 0.00 H new ATOM 0 HA GLN A 127 8.671 15.992 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 127 10.788 14.010 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 127 9.272 13.947 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 127 9.561 16.053 -3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 127 10.606 16.615 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 127 12.832 16.140 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 127 13.631 15.494 -3.409 1.00 0.00 H new ATOM 1963 N LEU A 128 8.569 12.807 0.266 1.00 0.00 N ATOM 1964 CA LEU A 128 7.663 11.726 0.642 1.00 0.00 C ATOM 1965 C LEU A 128 6.655 12.199 1.686 1.00 0.00 C ATOM 1966 O LEU A 128 5.460 12.296 1.410 1.00 0.00 O ATOM 1967 CB LEU A 128 8.455 10.535 1.183 1.00 0.00 C ATOM 1968 CG LEU A 128 7.634 9.427 1.845 1.00 0.00 C ATOM 1969 CD1 LEU A 128 6.807 8.684 0.807 1.00 0.00 C ATOM 1970 CD2 LEU A 128 8.543 8.465 2.595 1.00 0.00 C ATOM 0 H LEU A 128 9.558 12.557 0.293 1.00 0.00 H new ATOM 0 HA LEU A 128 7.117 11.416 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.022 10.098 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.179 10.905 1.908 1.00 0.00 H new ATOM 0 HG LEU A 128 6.953 9.884 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.229 7.899 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 128 6.129 9.381 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 128 7.470 8.238 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 128 7.942 7.684 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.249 8.014 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.091 9.008 3.366 1.00 0.00 H new ATOM 1982 N TYR A 129 7.147 12.493 2.884 1.00 0.00 N ATOM 1983 CA TYR A 129 6.291 12.955 3.970 1.00 0.00 C ATOM 1984 C TYR A 129 5.226 13.916 3.451 1.00 0.00 C ATOM 1985 O TYR A 129 4.036 13.604 3.460 1.00 0.00 O ATOM 1986 CB TYR A 129 7.128 13.639 5.052 1.00 0.00 C ATOM 1987 CG TYR A 129 6.309 14.169 6.207 1.00 0.00 C ATOM 1988 CD1 TYR A 129 5.565 13.311 7.008 1.00 0.00 C ATOM 1989 CD2 TYR A 129 6.276 15.527 6.497 1.00 0.00 C ATOM 1990 CE1 TYR A 129 4.814 13.790 8.063 1.00 0.00 C ATOM 1991 CE2 TYR A 129 5.529 16.015 7.551 1.00 0.00 C ATOM 1992 CZ TYR A 129 4.800 15.143 8.332 1.00 0.00 C ATOM 1993 OH TYR A 129 4.053 15.625 9.382 1.00 0.00 O ATOM 0 H TYR A 129 8.135 12.420 3.128 1.00 0.00 H new ATOM 0 HA TYR A 129 5.793 12.087 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.862 12.930 5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.683 14.463 4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.574 12.251 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 129 6.845 16.213 5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.241 13.109 8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.516 17.074 7.763 1.00 0.00 H new ATOM 0 HH TYR A 129 4.153 16.598 9.435 1.00 0.00 H new ATOM 2003 N ALA A 130 5.663 15.086 3.000 1.00 0.00 N ATOM 2004 CA ALA A 130 4.750 16.094 2.475 1.00 0.00 C ATOM 2005 C ALA A 130 3.628 15.449 1.668 1.00 0.00 C ATOM 2006 O ALA A 130 2.489 15.916 1.688 1.00 0.00 O ATOM 2007 CB ALA A 130 5.506 17.099 1.619 1.00 0.00 C ATOM 0 H ALA A 130 6.645 15.360 2.987 1.00 0.00 H new ATOM 0 HA ALA A 130 4.303 16.618 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.811 17.845 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.268 17.591 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.981 16.582 0.785 1.00 0.00 H new ATOM 2013 N ALA A 131 3.957 14.374 0.961 1.00 0.00 N ATOM 2014 CA ALA A 131 2.976 13.664 0.149 1.00 0.00 C ATOM 2015 C ALA A 131 2.055 12.815 1.018 1.00 0.00 C ATOM 2016 O ALA A 131 0.834 12.839 0.855 1.00 0.00 O ATOM 2017 CB ALA A 131 3.675 12.797 -0.887 1.00 0.00 C ATOM 0 H ALA A 131 4.895 13.975 0.934 1.00 0.00 H new ATOM 0 HA ALA A 131 2.365 14.404 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.930 12.273 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 131 4.285 13.426 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 131 4.312 12.070 -0.383 1.00 0.00 H new ATOM 2023 N LEU A 132 2.646 12.063 1.940 1.00 0.00 N ATOM 2024 CA LEU A 132 1.878 11.204 2.835 1.00 0.00 C ATOM 2025 C LEU A 132 0.661 11.941 3.384 1.00 0.00 C ATOM 2026 O LEU A 132 -0.478 11.622 3.039 1.00 0.00 O ATOM 2027 CB LEU A 132 2.759 10.721 3.988 1.00 0.00 C ATOM 2028 CG LEU A 132 3.542 9.432 3.739 1.00 0.00 C ATOM 2029 CD1 LEU A 132 4.552 9.628 2.620 1.00 0.00 C ATOM 2030 CD2 LEU A 132 4.237 8.975 5.013 1.00 0.00 C ATOM 0 H LEU A 132 3.655 12.031 2.088 1.00 0.00 H new ATOM 0 HA LEU A 132 1.531 10.342 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.468 11.512 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.128 10.576 4.865 1.00 0.00 H new ATOM 0 HG LEU A 132 2.839 8.657 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.100 8.700 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.031 9.907 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.251 10.418 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.789 8.056 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.928 9.749 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.493 8.792 5.788 1.00 0.00 H new ATOM 2042 N HIS A 133 0.907 12.928 4.238 1.00 0.00 N ATOM 2043 CA HIS A 133 -0.169 13.713 4.833 1.00 0.00 C ATOM 2044 C HIS A 133 -1.336 13.859 3.860 1.00 0.00 C ATOM 2045 O HIS A 133 -2.452 13.425 4.145 1.00 0.00 O ATOM 2046 CB HIS A 133 0.344 15.094 5.243 1.00 0.00 C ATOM 2047 CG HIS A 133 -0.592 15.836 6.146 1.00 0.00 C ATOM 2048 ND1 HIS A 133 -0.783 17.200 6.076 1.00 0.00 N ATOM 2049 CD2 HIS A 133 -1.395 15.397 7.144 1.00 0.00 C ATOM 2050 CE1 HIS A 133 -1.661 17.567 6.991 1.00 0.00 C ATOM 2051 NE2 HIS A 133 -2.048 16.492 7.654 1.00 0.00 N ATOM 0 H HIS A 133 1.843 13.204 4.534 1.00 0.00 H new ATOM 0 HA HIS A 133 -0.521 13.187 5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 133 1.306 14.982 5.743 1.00 0.00 H new ATOM 0 HB3 HIS A 133 0.519 15.689 4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -1.502 14.375 7.477 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -2.005 18.575 7.168 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -2.722 16.478 8.420 1.00 0.00 H new ATOM 2059 N HIS A 134 -1.070 14.474 2.713 1.00 0.00 N ATOM 2060 CA HIS A 134 -2.097 14.678 1.698 1.00 0.00 C ATOM 2061 C HIS A 134 -2.917 13.408 1.493 1.00 0.00 C ATOM 2062 O HIS A 134 -4.121 13.385 1.752 1.00 0.00 O ATOM 2063 CB HIS A 134 -1.462 15.107 0.375 1.00 0.00 C ATOM 2064 CG HIS A 134 -2.366 14.941 -0.807 1.00 0.00 C ATOM 2065 ND1 HIS A 134 -3.199 15.939 -1.263 1.00 0.00 N ATOM 2066 CD2 HIS A 134 -2.564 13.883 -1.628 1.00 0.00 C ATOM 2067 CE1 HIS A 134 -3.872 15.504 -2.312 1.00 0.00 C ATOM 2068 NE2 HIS A 134 -3.505 14.259 -2.555 1.00 0.00 N ATOM 0 H HIS A 134 -0.151 14.840 2.463 1.00 0.00 H new ATOM 0 HA HIS A 134 -2.762 15.469 2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -1.162 16.152 0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -0.555 14.526 0.212 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -2.074 12.923 -1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -4.599 16.070 -2.876 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -3.862 13.672 -3.309 1.00 0.00 H new ATOM 2076 N ARG A 135 -2.259 12.353 1.025 1.00 0.00 N ATOM 2077 CA ARG A 135 -2.928 11.080 0.784 1.00 0.00 C ATOM 2078 C ARG A 135 -3.999 10.819 1.839 1.00 0.00 C ATOM 2079 O ARG A 135 -5.089 10.339 1.525 1.00 0.00 O ATOM 2080 CB ARG A 135 -1.910 9.937 0.783 1.00 0.00 C ATOM 2081 CG ARG A 135 -0.742 10.162 -0.164 1.00 0.00 C ATOM 2082 CD ARG A 135 0.208 8.975 -0.168 1.00 0.00 C ATOM 2083 NE ARG A 135 0.505 8.506 1.183 1.00 0.00 N ATOM 2084 CZ ARG A 135 1.146 7.373 1.443 1.00 0.00 C ATOM 2085 NH1 ARG A 135 1.557 6.597 0.450 1.00 0.00 N ATOM 2086 NH2 ARG A 135 1.380 7.014 2.699 1.00 0.00 N ATOM 0 H ARG A 135 -1.263 12.354 0.805 1.00 0.00 H new ATOM 0 HA ARG A 135 -3.409 11.131 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.526 9.803 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.416 9.011 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -1.118 10.332 -1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.201 11.061 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -0.231 8.162 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 135 1.136 9.255 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 135 0.203 9.081 1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 135 1.381 6.870 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 135 2.049 5.727 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 135 1.067 7.609 3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 135 1.873 6.143 2.897 1.00 0.00 H new ATOM 2100 N ILE A 136 -3.681 11.140 3.089 1.00 0.00 N ATOM 2101 CA ILE A 136 -4.617 10.942 4.188 1.00 0.00 C ATOM 2102 C ILE A 136 -5.756 11.955 4.132 1.00 0.00 C ATOM 2103 O ILE A 136 -6.930 11.585 4.118 1.00 0.00 O ATOM 2104 CB ILE A 136 -3.913 11.053 5.554 1.00 0.00 C ATOM 2105 CG1 ILE A 136 -2.470 10.554 5.451 1.00 0.00 C ATOM 2106 CG2 ILE A 136 -4.677 10.269 6.610 1.00 0.00 C ATOM 2107 CD1 ILE A 136 -2.342 9.220 4.750 1.00 0.00 C ATOM 0 H ILE A 136 -2.783 11.538 3.365 1.00 0.00 H new ATOM 0 HA ILE A 136 -5.023 9.937 4.078 1.00 0.00 H new ATOM 0 HB ILE A 136 -3.894 12.101 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.875 11.295 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -2.050 10.471 6.453 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -4.167 10.358 7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -5.688 10.667 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -4.725 9.219 6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.293 8.928 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -2.910 8.466 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -2.731 9.303 3.735 1.00 0.00 H new ATOM 2119 N LEU A 137 -5.400 13.235 4.097 1.00 0.00 N ATOM 2120 CA LEU A 137 -6.391 14.303 4.040 1.00 0.00 C ATOM 2121 C LEU A 137 -7.587 13.891 3.186 1.00 0.00 C ATOM 2122 O LEU A 137 -8.737 14.102 3.567 1.00 0.00 O ATOM 2123 CB LEU A 137 -5.763 15.579 3.478 1.00 0.00 C ATOM 2124 CG LEU A 137 -4.520 16.092 4.204 1.00 0.00 C ATOM 2125 CD1 LEU A 137 -3.948 17.306 3.491 1.00 0.00 C ATOM 2126 CD2 LEU A 137 -4.849 16.427 5.652 1.00 0.00 C ATOM 0 H LEU A 137 -4.432 13.558 4.107 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.741 14.495 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -5.503 15.402 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.517 16.366 3.490 1.00 0.00 H new ATOM 0 HG LEU A 137 -3.767 15.304 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.064 17.657 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.674 17.034 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -4.695 18.099 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.952 16.791 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.619 17.198 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.211 15.533 6.159 1.00 0.00 H new ATOM 2138 N ALA A 138 -7.305 13.302 2.028 1.00 0.00 N ATOM 2139 CA ALA A 138 -8.356 12.856 1.122 1.00 0.00 C ATOM 2140 C ALA A 138 -9.287 11.862 1.807 1.00 0.00 C ATOM 2141 O ALA A 138 -10.507 11.930 1.654 1.00 0.00 O ATOM 2142 CB ALA A 138 -7.748 12.238 -0.128 1.00 0.00 C ATOM 0 H ALA A 138 -6.357 13.123 1.696 1.00 0.00 H new ATOM 0 HA ALA A 138 -8.946 13.726 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -8.544 11.909 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -7.131 12.978 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -7.133 11.383 0.151 1.00 0.00 H new ATOM 2148 N LEU A 139 -8.704 10.937 2.562 1.00 0.00 N ATOM 2149 CA LEU A 139 -9.482 9.926 3.271 1.00 0.00 C ATOM 2150 C LEU A 139 -10.223 10.541 4.454 1.00 0.00 C ATOM 2151 O LEU A 139 -11.432 10.364 4.601 1.00 0.00 O ATOM 2152 CB LEU A 139 -8.568 8.799 3.757 1.00 0.00 C ATOM 2153 CG LEU A 139 -7.368 8.478 2.866 1.00 0.00 C ATOM 2154 CD1 LEU A 139 -6.648 7.236 3.368 1.00 0.00 C ATOM 2155 CD2 LEU A 139 -7.809 8.294 1.421 1.00 0.00 C ATOM 0 H LEU A 139 -7.696 10.866 2.699 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.217 9.516 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.199 9.059 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -9.166 7.894 3.867 1.00 0.00 H new ATOM 0 HG LEU A 139 -6.674 9.318 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -5.797 7.023 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.297 7.405 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.333 6.389 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.941 8.066 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.524 7.473 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.278 9.211 1.064 1.00 0.00 H new ATOM 2167 N ARG A 140 -9.490 11.265 5.294 1.00 0.00 N ATOM 2168 CA ARG A 140 -10.078 11.906 6.463 1.00 0.00 C ATOM 2169 C ARG A 140 -11.156 12.904 6.051 1.00 0.00 C ATOM 2170 O ARG A 140 -12.134 13.108 6.770 1.00 0.00 O ATOM 2171 CB ARG A 140 -8.997 12.616 7.281 1.00 0.00 C ATOM 2172 CG ARG A 140 -7.617 11.995 7.133 1.00 0.00 C ATOM 2173 CD ARG A 140 -6.683 12.442 8.247 1.00 0.00 C ATOM 2174 NE ARG A 140 -7.178 12.052 9.565 1.00 0.00 N ATOM 2175 CZ ARG A 140 -7.971 12.817 10.308 1.00 0.00 C ATOM 2176 NH1 ARG A 140 -8.357 14.005 9.865 1.00 0.00 N ATOM 2177 NH2 ARG A 140 -8.379 12.392 11.498 1.00 0.00 N ATOM 0 H ARG A 140 -8.488 11.422 5.186 1.00 0.00 H new ATOM 0 HA ARG A 140 -10.538 11.132 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.951 13.662 6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.282 12.603 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.703 10.908 7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -7.193 12.273 6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.695 12.009 8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.566 13.525 8.209 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.900 11.143 9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.045 14.335 8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.966 14.590 10.438 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.084 11.478 11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.988 12.979 12.068 1.00 0.00 H new ATOM 2191 N SER A 141 -10.970 13.523 4.889 1.00 0.00 N ATOM 2192 CA SER A 141 -11.924 14.503 4.383 1.00 0.00 C ATOM 2193 C SER A 141 -13.285 13.859 4.137 1.00 0.00 C ATOM 2194 O SER A 141 -14.306 14.543 4.079 1.00 0.00 O ATOM 2195 CB SER A 141 -11.402 15.133 3.091 1.00 0.00 C ATOM 2196 OG SER A 141 -12.229 16.207 2.677 1.00 0.00 O ATOM 0 H SER A 141 -10.167 13.363 4.280 1.00 0.00 H new ATOM 0 HA SER A 141 -12.042 15.282 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 141 -10.384 15.491 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 141 -11.360 14.378 2.306 1.00 0.00 H new ATOM 0 HG SER A 141 -11.873 16.594 1.850 1.00 0.00 H new ATOM 2202 N ARG A 142 -13.289 12.538 3.990 1.00 0.00 N ATOM 2203 CA ARG A 142 -14.523 11.800 3.748 1.00 0.00 C ATOM 2204 C ARG A 142 -15.325 11.644 5.037 1.00 0.00 C ATOM 2205 O ARG A 142 -16.550 11.765 5.037 1.00 0.00 O ATOM 2206 CB ARG A 142 -14.212 10.423 3.157 1.00 0.00 C ATOM 2207 CG ARG A 142 -13.196 10.461 2.028 1.00 0.00 C ATOM 2208 CD ARG A 142 -13.284 9.217 1.158 1.00 0.00 C ATOM 2209 NE ARG A 142 -14.365 9.308 0.179 1.00 0.00 N ATOM 2210 CZ ARG A 142 -15.585 8.824 0.384 1.00 0.00 C ATOM 2211 NH1 ARG A 142 -15.878 8.217 1.527 1.00 0.00 N ATOM 2212 NH2 ARG A 142 -16.515 8.946 -0.553 1.00 0.00 N ATOM 0 H ARG A 142 -12.452 11.957 4.034 1.00 0.00 H new ATOM 0 HA ARG A 142 -15.122 12.366 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -13.839 9.773 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -15.136 9.978 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.364 11.347 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -12.192 10.546 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -12.337 9.070 0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -13.440 8.343 1.790 1.00 0.00 H new ATOM 0 HE ARG A 142 -14.172 9.768 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -15.166 8.121 2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -16.816 7.846 1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -16.294 9.412 -1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -17.451 8.574 -0.394 1.00 0.00 H new