USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1009 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 117 TYR OH : rot 15:sc= 0 USER MOD Set 1.2: A 121 CYS SG : rot 128:sc= -1.51 USER MOD Set 2.1: A 111 GLN : amide:sc= -0.376 K(o=2,f=-1.7!) USER MOD Set 2.2: A 114 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0) USER MOD Set 2.3: A 115 TYR OH : rot 161:sc= 1.16 USER MOD Set 3.1: A 46 MET CE :methyl -178:sc= -5.75! (180deg=-5.85!) USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.0511 (180deg=-0.232) USER MOD Single : A 25 GLN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0642) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0413) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0474 (180deg=-0.291) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.125 F(o=-3.2!,f=-0.12) USER MOD Single : A 59 MET CE :methyl 161:sc= -0.0957 (180deg=-0.55) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.689 K(o=0.69,f=-0.0024) USER MOD Single : A 68 MET CE :methyl -166:sc= -0.0609 (180deg=-0.37) USER MOD Single : A 70 TYR OH : rot 77:sc= 0.0409 USER MOD Single : A 74 THR OG1 : rot -77:sc= 1.06 USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= 0.207 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.718 K(o=0.72,f=-0.045) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= -0.023 (180deg=-0.188) USER MOD Single : A 96 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.41) USER MOD Single : A 99 THR OG1 : rot -19:sc= 0.58 USER MOD Single : A 100 SER OG : rot -30:sc= 0.612 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 68:sc= 0.0177 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 127:sc= 0.049 USER MOD Single : A 113 MET CE :methyl -174:sc= -0.968 (180deg=-1.28) USER MOD Single : A 119 TYR OH : rot 17:sc= 0.665 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 92:sc= 0.517 USER MOD Single : A 128 ASN : amide:sc= 0.893 K(o=0.89,f=-0.015) USER MOD Single : A 130 ASN : amide:sc= -0.0324 K(o=-0.032,f=-1.3!) USER MOD Single : A 133 GLN : amide:sc= 0.468 K(o=0.47,f=-0.038) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 ASN : amide:sc= -2.35 K(o=-2.4,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 350 N PHE A 23 -4.902 -18.254 1.118 1.00 13.00 N ATOM 351 CA PHE A 23 -3.674 -17.886 1.834 1.00 21.52 C ATOM 352 C PHE A 23 -3.975 -17.311 3.236 1.00 65.40 C ATOM 353 O PHE A 23 -4.140 -16.103 3.414 1.00 32.32 O ATOM 354 CB PHE A 23 -2.859 -16.887 0.999 1.00 14.43 C ATOM 355 CG PHE A 23 -1.403 -16.814 1.388 1.00 42.02 C ATOM 356 CD1 PHE A 23 -0.547 -17.865 1.094 1.00 3.12 C ATOM 357 CD2 PHE A 23 -0.891 -15.698 2.030 1.00 2.05 C ATOM 358 CE1 PHE A 23 0.790 -17.805 1.435 1.00 54.13 C ATOM 359 CE2 PHE A 23 0.445 -15.634 2.374 1.00 32.03 C ATOM 360 CZ PHE A 23 1.287 -16.689 2.076 1.00 74.32 C ATOM 0 HA PHE A 23 -3.086 -18.792 1.979 1.00 21.52 H new ATOM 0 HB2 PHE A 23 -2.931 -17.163 -0.053 1.00 14.43 H new ATOM 0 HB3 PHE A 23 -3.303 -15.896 1.100 1.00 14.43 H new ATOM 0 HD1 PHE A 23 -0.931 -18.741 0.592 1.00 3.12 H new ATOM 0 HD2 PHE A 23 -1.543 -14.870 2.264 1.00 2.05 H new ATOM 0 HE1 PHE A 23 1.446 -18.631 1.200 1.00 54.13 H new ATOM 0 HE2 PHE A 23 0.832 -14.760 2.876 1.00 32.03 H new ATOM 0 HZ PHE A 23 2.332 -16.640 2.344 1.00 74.32 H new ATOM 370 N LYS A 24 -4.035 -18.199 4.226 1.00 50.44 N ATOM 371 CA LYS A 24 -4.389 -17.833 5.609 1.00 75.13 C ATOM 372 C LYS A 24 -3.281 -17.026 6.321 1.00 3.12 C ATOM 373 O LYS A 24 -3.549 -16.308 7.288 1.00 22.11 O ATOM 374 CB LYS A 24 -4.691 -19.113 6.405 1.00 62.45 C ATOM 375 CG LYS A 24 -5.233 -18.874 7.813 1.00 43.14 C ATOM 376 CD LYS A 24 -6.651 -18.303 7.798 1.00 33.23 C ATOM 377 CE LYS A 24 -7.651 -19.273 7.173 1.00 45.21 C ATOM 378 NZ LYS A 24 -7.649 -20.599 7.852 1.00 21.10 N ATOM 0 H LYS A 24 -3.841 -19.192 4.100 1.00 50.44 H new ATOM 0 HA LYS A 24 -5.267 -17.189 5.562 1.00 75.13 H new ATOM 0 HB2 LYS A 24 -5.414 -19.709 5.848 1.00 62.45 H new ATOM 0 HB3 LYS A 24 -3.778 -19.704 6.477 1.00 62.45 H new ATOM 0 HG2 LYS A 24 -5.227 -19.813 8.367 1.00 43.14 H new ATOM 0 HG3 LYS A 24 -4.573 -18.188 8.343 1.00 43.14 H new ATOM 0 HD2 LYS A 24 -6.959 -18.071 8.817 1.00 33.23 H new ATOM 0 HD3 LYS A 24 -6.659 -17.366 7.242 1.00 33.23 H new ATOM 0 HE2 LYS A 24 -8.651 -18.843 7.223 1.00 45.21 H new ATOM 0 HE3 LYS A 24 -7.414 -19.407 6.118 1.00 45.21 H new ATOM 0 HZ1 LYS A 24 -8.481 -21.145 7.549 1.00 21.10 H new ATOM 0 HZ2 LYS A 24 -6.783 -21.117 7.599 1.00 21.10 H new ATOM 0 HZ3 LYS A 24 -7.682 -20.461 8.882 1.00 21.10 H new ATOM 392 N GLN A 25 -2.046 -17.130 5.829 1.00 51.24 N ATOM 393 CA GLN A 25 -0.878 -16.523 6.495 1.00 74.34 C ATOM 394 C GLN A 25 -1.090 -15.034 6.844 1.00 33.02 C ATOM 395 O GLN A 25 -0.767 -14.605 7.952 1.00 24.11 O ATOM 396 CB GLN A 25 0.370 -16.679 5.607 1.00 23.52 C ATOM 397 CG GLN A 25 1.629 -16.006 6.154 1.00 43.25 C ATOM 398 CD GLN A 25 2.112 -16.605 7.464 1.00 3.13 C ATOM 399 OE1 GLN A 25 2.907 -17.540 7.484 1.00 64.23 O ATOM 400 NE2 GLN A 25 1.643 -16.064 8.569 1.00 24.42 N ATOM 0 H GLN A 25 -1.821 -17.630 4.969 1.00 51.24 H new ATOM 0 HA GLN A 25 -0.739 -17.053 7.437 1.00 74.34 H new ATOM 0 HB2 GLN A 25 0.572 -17.741 5.470 1.00 23.52 H new ATOM 0 HB3 GLN A 25 0.152 -16.267 4.622 1.00 23.52 H new ATOM 0 HG2 GLN A 25 2.424 -16.083 5.413 1.00 43.25 H new ATOM 0 HG3 GLN A 25 1.430 -14.944 6.300 1.00 43.25 H new ATOM 0 HE21 GLN A 25 0.983 -15.288 8.517 1.00 24.42 H new ATOM 0 HE22 GLN A 25 1.939 -16.421 9.477 1.00 24.42 H new ATOM 409 N LEU A 26 -1.632 -14.256 5.906 1.00 4.13 N ATOM 410 CA LEU A 26 -1.847 -12.814 6.128 1.00 64.32 C ATOM 411 C LEU A 26 -2.825 -12.544 7.285 1.00 44.23 C ATOM 412 O LEU A 26 -2.694 -11.552 8.005 1.00 65.54 O ATOM 413 CB LEU A 26 -2.360 -12.136 4.848 1.00 55.15 C ATOM 414 CG LEU A 26 -1.345 -12.040 3.697 1.00 51.35 C ATOM 415 CD1 LEU A 26 -1.964 -11.341 2.490 1.00 31.14 C ATOM 416 CD2 LEU A 26 -0.079 -11.312 4.149 1.00 2.01 C ATOM 0 H LEU A 26 -1.930 -14.591 4.990 1.00 4.13 H new ATOM 0 HA LEU A 26 -0.880 -12.390 6.400 1.00 64.32 H new ATOM 0 HB2 LEU A 26 -3.234 -12.682 4.494 1.00 55.15 H new ATOM 0 HB3 LEU A 26 -2.694 -11.129 5.100 1.00 55.15 H new ATOM 0 HG LEU A 26 -1.069 -13.053 3.403 1.00 51.35 H new ATOM 0 HD11 LEU A 26 -1.229 -11.283 1.687 1.00 31.14 H new ATOM 0 HD12 LEU A 26 -2.832 -11.905 2.148 1.00 31.14 H new ATOM 0 HD13 LEU A 26 -2.274 -10.335 2.772 1.00 31.14 H new ATOM 0 HD21 LEU A 26 0.625 -11.256 3.318 1.00 2.01 H new ATOM 0 HD22 LEU A 26 -0.336 -10.304 4.476 1.00 2.01 H new ATOM 0 HD23 LEU A 26 0.378 -11.856 4.976 1.00 2.01 H new ATOM 428 N TYR A 27 -3.804 -13.423 7.456 1.00 1.02 N ATOM 429 CA TYR A 27 -4.810 -13.267 8.512 1.00 40.21 C ATOM 430 C TYR A 27 -4.200 -13.499 9.905 1.00 51.10 C ATOM 431 O TYR A 27 -4.424 -12.724 10.839 1.00 62.22 O ATOM 432 CB TYR A 27 -5.963 -14.253 8.282 1.00 10.24 C ATOM 433 CG TYR A 27 -6.680 -14.066 6.955 1.00 61.04 C ATOM 434 CD1 TYR A 27 -6.195 -14.641 5.786 1.00 10.42 C ATOM 435 CD2 TYR A 27 -7.846 -13.318 6.877 1.00 20.24 C ATOM 436 CE1 TYR A 27 -6.852 -14.472 4.583 1.00 31.01 C ATOM 437 CE2 TYR A 27 -8.509 -13.144 5.684 1.00 12.22 C ATOM 438 CZ TYR A 27 -8.010 -13.723 4.537 1.00 73.44 C ATOM 439 OH TYR A 27 -8.670 -13.555 3.340 1.00 75.23 O ATOM 0 H TYR A 27 -3.927 -14.255 6.879 1.00 1.02 H new ATOM 0 HA TYR A 27 -5.186 -12.245 8.471 1.00 40.21 H new ATOM 0 HB2 TYR A 27 -5.574 -15.270 8.333 1.00 10.24 H new ATOM 0 HB3 TYR A 27 -6.685 -14.147 9.092 1.00 10.24 H new ATOM 0 HD1 TYR A 27 -5.290 -15.229 5.819 1.00 10.42 H new ATOM 0 HD2 TYR A 27 -8.242 -12.862 7.773 1.00 20.24 H new ATOM 0 HE1 TYR A 27 -6.462 -14.924 3.683 1.00 31.01 H new ATOM 0 HE2 TYR A 27 -9.415 -12.557 5.647 1.00 12.22 H new ATOM 0 HH TYR A 27 -9.467 -13.002 3.481 1.00 75.23 H new ATOM 449 N GLU A 28 -3.408 -14.560 10.021 1.00 22.12 N ATOM 450 CA GLU A 28 -2.851 -14.988 11.311 1.00 23.40 C ATOM 451 C GLU A 28 -1.406 -14.485 11.518 1.00 11.50 C ATOM 452 O GLU A 28 -0.594 -15.152 12.164 1.00 31.05 O ATOM 453 CB GLU A 28 -2.911 -16.522 11.407 1.00 72.51 C ATOM 454 CG GLU A 28 -4.320 -17.087 11.215 1.00 13.10 C ATOM 455 CD GLU A 28 -4.400 -18.596 11.418 1.00 3.42 C ATOM 456 OE1 GLU A 28 -3.529 -19.322 10.892 1.00 11.05 O ATOM 457 OE2 GLU A 28 -5.349 -19.066 12.091 1.00 64.41 O ATOM 0 H GLU A 28 -3.132 -15.147 9.234 1.00 22.12 H new ATOM 0 HA GLU A 28 -3.453 -14.546 12.104 1.00 23.40 H new ATOM 0 HB2 GLU A 28 -2.249 -16.952 10.655 1.00 72.51 H new ATOM 0 HB3 GLU A 28 -2.532 -16.833 12.381 1.00 72.51 H new ATOM 0 HG2 GLU A 28 -4.998 -16.597 11.914 1.00 13.10 H new ATOM 0 HG3 GLU A 28 -4.667 -16.844 10.211 1.00 13.10 H new ATOM 464 N LEU A 29 -1.090 -13.302 10.978 1.00 23.41 N ATOM 465 CA LEU A 29 0.242 -12.699 11.162 1.00 22.41 C ATOM 466 C LEU A 29 0.549 -12.422 12.648 1.00 51.42 C ATOM 467 O LEU A 29 1.575 -12.859 13.170 1.00 43.34 O ATOM 468 CB LEU A 29 0.355 -11.387 10.366 1.00 1.23 C ATOM 469 CG LEU A 29 0.344 -11.532 8.837 1.00 62.21 C ATOM 470 CD1 LEU A 29 0.334 -10.158 8.168 1.00 14.53 C ATOM 471 CD2 LEU A 29 1.537 -12.361 8.363 1.00 22.44 C ATOM 0 H LEU A 29 -1.731 -12.744 10.414 1.00 23.41 H new ATOM 0 HA LEU A 29 0.972 -13.419 10.791 1.00 22.41 H new ATOM 0 HB2 LEU A 29 -0.469 -10.735 10.657 1.00 1.23 H new ATOM 0 HB3 LEU A 29 1.277 -10.885 10.658 1.00 1.23 H new ATOM 0 HG LEU A 29 -0.566 -12.057 8.549 1.00 62.21 H new ATOM 0 HD11 LEU A 29 0.326 -10.281 7.085 1.00 14.53 H new ATOM 0 HD12 LEU A 29 -0.555 -9.609 8.477 1.00 14.53 H new ATOM 0 HD13 LEU A 29 1.224 -9.603 8.464 1.00 14.53 H new ATOM 0 HD21 LEU A 29 1.509 -12.451 7.277 1.00 22.44 H new ATOM 0 HD22 LEU A 29 2.463 -11.870 8.663 1.00 22.44 H new ATOM 0 HD23 LEU A 29 1.491 -13.354 8.811 1.00 22.44 H new ATOM 483 N ASP A 30 -0.346 -11.702 13.327 1.00 14.11 N ATOM 484 CA ASP A 30 -0.146 -11.373 14.747 1.00 45.52 C ATOM 485 C ASP A 30 -1.243 -11.984 15.636 1.00 60.50 C ATOM 486 O ASP A 30 -0.964 -12.462 16.738 1.00 71.21 O ATOM 487 CB ASP A 30 -0.104 -9.854 14.935 1.00 54.50 C ATOM 488 CG ASP A 30 0.269 -9.458 16.354 1.00 3.14 C ATOM 489 OD1 ASP A 30 -0.633 -9.355 17.209 1.00 24.23 O ATOM 490 OD2 ASP A 30 1.472 -9.263 16.629 1.00 73.50 O ATOM 0 H ASP A 30 -1.209 -11.337 12.925 1.00 14.11 H new ATOM 0 HA ASP A 30 0.807 -11.804 15.054 1.00 45.52 H new ATOM 0 HB2 ASP A 30 0.616 -9.424 14.239 1.00 54.50 H new ATOM 0 HB3 ASP A 30 -1.078 -9.432 14.687 1.00 54.50 H new ATOM 495 N GLY A 31 -2.488 -11.969 15.152 1.00 41.21 N ATOM 496 CA GLY A 31 -3.590 -12.588 15.892 1.00 10.31 C ATOM 497 C GLY A 31 -4.746 -11.643 16.227 1.00 52.42 C ATOM 498 O GLY A 31 -5.721 -12.064 16.858 1.00 61.42 O ATOM 0 H GLY A 31 -2.755 -11.542 14.265 1.00 41.21 H new ATOM 0 HA2 GLY A 31 -3.978 -13.422 15.308 1.00 10.31 H new ATOM 0 HA3 GLY A 31 -3.198 -13.004 16.820 1.00 10.31 H new ATOM 502 N ASP A 32 -4.654 -10.373 15.818 1.00 53.25 N ATOM 503 CA ASP A 32 -5.731 -9.401 16.065 1.00 44.41 C ATOM 504 C ASP A 32 -7.048 -9.844 15.400 1.00 65.53 C ATOM 505 O ASP A 32 -7.076 -10.126 14.197 1.00 32.42 O ATOM 506 CB ASP A 32 -5.353 -8.017 15.521 1.00 23.40 C ATOM 507 CG ASP A 32 -3.967 -7.576 15.937 1.00 70.12 C ATOM 508 OD1 ASP A 32 -2.987 -8.123 15.394 1.00 12.21 O ATOM 509 OD2 ASP A 32 -3.854 -6.681 16.797 1.00 40.15 O ATOM 0 H ASP A 32 -3.851 -9.993 15.317 1.00 53.25 H new ATOM 0 HA ASP A 32 -5.870 -9.349 17.145 1.00 44.41 H new ATOM 0 HB2 ASP A 32 -5.412 -8.032 14.433 1.00 23.40 H new ATOM 0 HB3 ASP A 32 -6.081 -7.285 15.870 1.00 23.40 H new ATOM 514 N PRO A 33 -8.162 -9.887 16.158 1.00 20.44 N ATOM 515 CA PRO A 33 -9.487 -10.217 15.600 1.00 34.35 C ATOM 516 C PRO A 33 -9.895 -9.256 14.469 1.00 0.12 C ATOM 517 O PRO A 33 -10.651 -9.622 13.569 1.00 45.12 O ATOM 518 CB PRO A 33 -10.437 -10.083 16.809 1.00 12.04 C ATOM 519 CG PRO A 33 -9.675 -9.281 17.812 1.00 24.43 C ATOM 520 CD PRO A 33 -8.229 -9.632 17.606 1.00 40.21 C ATOM 0 HA PRO A 33 -9.506 -11.208 15.147 1.00 34.35 H new ATOM 0 HB2 PRO A 33 -11.365 -9.585 16.528 1.00 12.04 H new ATOM 0 HB3 PRO A 33 -10.708 -11.060 17.208 1.00 12.04 H new ATOM 0 HG2 PRO A 33 -9.842 -8.214 17.667 1.00 24.43 H new ATOM 0 HG3 PRO A 33 -9.994 -9.519 18.827 1.00 24.43 H new ATOM 0 HD2 PRO A 33 -7.568 -8.818 17.905 1.00 40.21 H new ATOM 0 HD3 PRO A 33 -7.938 -10.508 18.186 1.00 40.21 H new ATOM 528 N LYS A 34 -9.372 -8.031 14.514 1.00 72.15 N ATOM 529 CA LYS A 34 -9.658 -7.022 13.485 1.00 54.31 C ATOM 530 C LYS A 34 -8.675 -7.100 12.301 1.00 31.24 C ATOM 531 O LYS A 34 -8.937 -6.534 11.242 1.00 53.44 O ATOM 532 CB LYS A 34 -9.622 -5.612 14.096 1.00 34.20 C ATOM 533 CG LYS A 34 -10.676 -5.377 15.179 1.00 45.54 C ATOM 534 CD LYS A 34 -12.099 -5.572 14.654 1.00 15.21 C ATOM 535 CE LYS A 34 -12.453 -4.575 13.550 1.00 31.43 C ATOM 536 NZ LYS A 34 -12.469 -3.173 14.043 1.00 50.01 N ATOM 0 H LYS A 34 -8.746 -7.709 15.252 1.00 72.15 H new ATOM 0 HA LYS A 34 -10.656 -7.232 13.101 1.00 54.31 H new ATOM 0 HB2 LYS A 34 -8.634 -5.436 14.521 1.00 34.20 H new ATOM 0 HB3 LYS A 34 -9.762 -4.879 13.302 1.00 34.20 H new ATOM 0 HG2 LYS A 34 -10.500 -6.061 16.009 1.00 45.54 H new ATOM 0 HG3 LYS A 34 -10.571 -4.366 15.572 1.00 45.54 H new ATOM 0 HD2 LYS A 34 -12.207 -6.587 14.272 1.00 15.21 H new ATOM 0 HD3 LYS A 34 -12.805 -5.465 15.477 1.00 15.21 H new ATOM 0 HE2 LYS A 34 -11.732 -4.664 12.737 1.00 31.43 H new ATOM 0 HE3 LYS A 34 -13.431 -4.824 13.138 1.00 31.43 H new ATOM 0 HZ1 LYS A 34 -12.812 -2.544 13.289 1.00 50.01 H new ATOM 0 HZ2 LYS A 34 -13.100 -3.102 14.867 1.00 50.01 H new ATOM 0 HZ3 LYS A 34 -11.507 -2.891 14.319 1.00 50.01 H new ATOM 550 N ARG A 35 -7.550 -7.805 12.470 1.00 72.11 N ATOM 551 CA ARG A 35 -6.551 -7.913 11.395 1.00 64.02 C ATOM 552 C ARG A 35 -7.105 -8.715 10.209 1.00 15.01 C ATOM 553 O ARG A 35 -6.982 -8.306 9.055 1.00 22.51 O ATOM 554 CB ARG A 35 -5.247 -8.550 11.907 1.00 62.35 C ATOM 555 CG ARG A 35 -4.119 -8.563 10.876 1.00 23.21 C ATOM 556 CD ARG A 35 -2.801 -9.058 11.473 1.00 21.45 C ATOM 557 NE ARG A 35 -2.400 -8.290 12.655 1.00 13.44 N ATOM 558 CZ ARG A 35 -1.399 -7.445 12.700 1.00 33.20 C ATOM 559 NH1 ARG A 35 -0.674 -7.211 11.651 1.00 20.25 N ATOM 560 NH2 ARG A 35 -1.130 -6.839 13.808 1.00 63.21 N ATOM 0 H ARG A 35 -7.309 -8.303 13.327 1.00 72.11 H new ATOM 0 HA ARG A 35 -6.326 -6.902 11.055 1.00 64.02 H new ATOM 0 HB2 ARG A 35 -4.912 -8.008 12.791 1.00 62.35 H new ATOM 0 HB3 ARG A 35 -5.452 -9.574 12.220 1.00 62.35 H new ATOM 0 HG2 ARG A 35 -4.400 -9.202 10.039 1.00 23.21 H new ATOM 0 HG3 ARG A 35 -3.981 -7.558 10.477 1.00 23.21 H new ATOM 0 HD2 ARG A 35 -2.900 -10.110 11.743 1.00 21.45 H new ATOM 0 HD3 ARG A 35 -2.017 -8.994 10.719 1.00 21.45 H new ATOM 0 HE ARG A 35 -2.942 -8.423 13.509 1.00 13.44 H new ATOM 0 HH11 ARG A 35 -0.879 -7.688 10.773 1.00 20.25 H new ATOM 0 HH12 ARG A 35 0.101 -6.550 11.704 1.00 20.25 H new ATOM 0 HH21 ARG A 35 -1.694 -7.020 14.638 1.00 63.21 H new ATOM 0 HH22 ARG A 35 -0.353 -6.180 13.853 1.00 63.21 H new ATOM 574 N LYS A 36 -7.725 -9.856 10.502 1.00 5.34 N ATOM 575 CA LYS A 36 -8.361 -10.671 9.462 1.00 4.23 C ATOM 576 C LYS A 36 -9.592 -9.959 8.874 1.00 70.44 C ATOM 577 O LYS A 36 -9.849 -10.040 7.673 1.00 54.32 O ATOM 578 CB LYS A 36 -8.753 -12.070 9.988 1.00 1.01 C ATOM 579 CG LYS A 36 -9.749 -12.091 11.149 1.00 54.00 C ATOM 580 CD LYS A 36 -9.062 -12.092 12.516 1.00 75.04 C ATOM 581 CE LYS A 36 -8.273 -13.373 12.777 1.00 54.23 C ATOM 582 NZ LYS A 36 -9.159 -14.560 12.926 1.00 33.22 N ATOM 0 H LYS A 36 -7.802 -10.238 11.445 1.00 5.34 H new ATOM 0 HA LYS A 36 -7.625 -10.805 8.669 1.00 4.23 H new ATOM 0 HB2 LYS A 36 -9.175 -12.643 9.162 1.00 1.01 H new ATOM 0 HB3 LYS A 36 -7.846 -12.586 10.303 1.00 1.01 H new ATOM 0 HG2 LYS A 36 -10.404 -11.222 11.077 1.00 54.00 H new ATOM 0 HG3 LYS A 36 -10.381 -12.975 11.064 1.00 54.00 H new ATOM 0 HD2 LYS A 36 -8.390 -11.236 12.581 1.00 75.04 H new ATOM 0 HD3 LYS A 36 -9.813 -11.967 13.296 1.00 75.04 H new ATOM 0 HE2 LYS A 36 -7.577 -13.542 11.955 1.00 54.23 H new ATOM 0 HE3 LYS A 36 -7.676 -13.252 13.681 1.00 54.23 H new ATOM 0 HZ1 LYS A 36 -8.592 -15.382 13.218 1.00 33.22 H new ATOM 0 HZ2 LYS A 36 -9.883 -14.365 13.647 1.00 33.22 H new ATOM 0 HZ3 LYS A 36 -9.622 -14.764 12.017 1.00 33.22 H new ATOM 596 N GLU A 37 -10.341 -9.251 9.726 1.00 43.00 N ATOM 597 CA GLU A 37 -11.510 -8.486 9.275 1.00 31.05 C ATOM 598 C GLU A 37 -11.109 -7.353 8.320 1.00 51.52 C ATOM 599 O GLU A 37 -11.800 -7.091 7.335 1.00 3.45 O ATOM 600 CB GLU A 37 -12.285 -7.910 10.469 1.00 4.25 C ATOM 601 CG GLU A 37 -12.983 -8.966 11.322 1.00 71.02 C ATOM 602 CD GLU A 37 -13.938 -8.364 12.347 1.00 12.45 C ATOM 603 OE1 GLU A 37 -14.977 -7.802 11.937 1.00 5.33 O ATOM 604 OE2 GLU A 37 -13.660 -8.452 13.561 1.00 74.11 O ATOM 0 H GLU A 37 -10.160 -9.191 10.728 1.00 43.00 H new ATOM 0 HA GLU A 37 -12.156 -9.178 8.734 1.00 31.05 H new ATOM 0 HB2 GLU A 37 -11.597 -7.346 11.098 1.00 4.25 H new ATOM 0 HB3 GLU A 37 -13.030 -7.205 10.100 1.00 4.25 H new ATOM 0 HG2 GLU A 37 -13.536 -9.644 10.672 1.00 71.02 H new ATOM 0 HG3 GLU A 37 -12.232 -9.563 11.839 1.00 71.02 H new ATOM 611 N PHE A 38 -9.999 -6.679 8.619 1.00 55.02 N ATOM 612 CA PHE A 38 -9.462 -5.646 7.726 1.00 12.55 C ATOM 613 C PHE A 38 -9.166 -6.229 6.337 1.00 0.30 C ATOM 614 O PHE A 38 -9.556 -5.660 5.320 1.00 4.25 O ATOM 615 CB PHE A 38 -8.186 -5.029 8.319 1.00 34.53 C ATOM 616 CG PHE A 38 -7.525 -4.004 7.420 1.00 63.51 C ATOM 617 CD1 PHE A 38 -6.580 -4.392 6.478 1.00 12.20 C ATOM 618 CD2 PHE A 38 -7.850 -2.657 7.515 1.00 71.35 C ATOM 619 CE1 PHE A 38 -5.977 -3.464 5.652 1.00 60.40 C ATOM 620 CE2 PHE A 38 -7.246 -1.725 6.692 1.00 71.22 C ATOM 621 CZ PHE A 38 -6.310 -2.131 5.759 1.00 21.33 C ATOM 0 H PHE A 38 -9.454 -6.827 9.468 1.00 55.02 H new ATOM 0 HA PHE A 38 -10.215 -4.865 7.623 1.00 12.55 H new ATOM 0 HB2 PHE A 38 -8.430 -4.559 9.272 1.00 34.53 H new ATOM 0 HB3 PHE A 38 -7.473 -5.826 8.531 1.00 34.53 H new ATOM 0 HD1 PHE A 38 -6.313 -5.435 6.391 1.00 12.20 H new ATOM 0 HD2 PHE A 38 -8.583 -2.334 8.240 1.00 71.35 H new ATOM 0 HE1 PHE A 38 -5.246 -3.782 4.924 1.00 60.40 H new ATOM 0 HE2 PHE A 38 -7.505 -0.680 6.778 1.00 71.22 H new ATOM 0 HZ PHE A 38 -5.840 -1.403 5.114 1.00 21.33 H new ATOM 631 N LEU A 39 -8.475 -7.367 6.307 1.00 51.14 N ATOM 632 CA LEU A 39 -8.146 -8.042 5.047 1.00 35.34 C ATOM 633 C LEU A 39 -9.415 -8.482 4.296 1.00 44.42 C ATOM 634 O LEU A 39 -9.529 -8.283 3.087 1.00 10.42 O ATOM 635 CB LEU A 39 -7.243 -9.251 5.320 1.00 54.52 C ATOM 636 CG LEU A 39 -5.874 -8.918 5.939 1.00 52.43 C ATOM 637 CD1 LEU A 39 -5.116 -10.195 6.277 1.00 22.43 C ATOM 638 CD2 LEU A 39 -5.052 -8.040 4.992 1.00 60.41 C ATOM 0 H LEU A 39 -8.130 -7.844 7.140 1.00 51.14 H new ATOM 0 HA LEU A 39 -7.614 -7.333 4.413 1.00 35.34 H new ATOM 0 HB2 LEU A 39 -7.769 -9.934 5.987 1.00 54.52 H new ATOM 0 HB3 LEU A 39 -7.081 -9.782 4.382 1.00 54.52 H new ATOM 0 HG LEU A 39 -6.042 -8.362 6.862 1.00 52.43 H new ATOM 0 HD11 LEU A 39 -4.150 -9.940 6.714 1.00 22.43 H new ATOM 0 HD12 LEU A 39 -5.693 -10.783 6.991 1.00 22.43 H new ATOM 0 HD13 LEU A 39 -4.961 -10.777 5.369 1.00 22.43 H new ATOM 0 HD21 LEU A 39 -4.088 -7.816 5.448 1.00 60.41 H new ATOM 0 HD22 LEU A 39 -4.894 -8.568 4.051 1.00 60.41 H new ATOM 0 HD23 LEU A 39 -5.588 -7.110 4.801 1.00 60.41 H new ATOM 650 N ASP A 40 -10.365 -9.067 5.022 1.00 2.32 N ATOM 651 CA ASP A 40 -11.652 -9.472 4.443 1.00 61.13 C ATOM 652 C ASP A 40 -12.364 -8.270 3.796 1.00 14.32 C ATOM 653 O ASP A 40 -12.789 -8.325 2.639 1.00 55.13 O ATOM 654 CB ASP A 40 -12.542 -10.083 5.533 1.00 61.25 C ATOM 655 CG ASP A 40 -13.869 -10.593 4.992 1.00 15.51 C ATOM 656 OD1 ASP A 40 -14.821 -9.796 4.882 1.00 15.11 O ATOM 657 OD2 ASP A 40 -13.964 -11.801 4.677 1.00 31.13 O ATOM 0 H ASP A 40 -10.271 -9.273 6.016 1.00 2.32 H new ATOM 0 HA ASP A 40 -11.464 -10.216 3.669 1.00 61.13 H new ATOM 0 HB2 ASP A 40 -12.010 -10.905 6.012 1.00 61.25 H new ATOM 0 HB3 ASP A 40 -12.732 -9.335 6.303 1.00 61.25 H new ATOM 662 N ASP A 41 -12.476 -7.185 4.557 1.00 22.04 N ATOM 663 CA ASP A 41 -13.119 -5.958 4.086 1.00 11.21 C ATOM 664 C ASP A 41 -12.335 -5.334 2.912 1.00 74.10 C ATOM 665 O ASP A 41 -12.921 -4.831 1.954 1.00 13.32 O ATOM 666 CB ASP A 41 -13.233 -4.971 5.253 1.00 10.02 C ATOM 667 CG ASP A 41 -14.116 -3.784 4.933 1.00 41.42 C ATOM 668 OD1 ASP A 41 -15.324 -3.990 4.693 1.00 41.11 O ATOM 669 OD2 ASP A 41 -13.611 -2.641 4.929 1.00 33.21 O ATOM 0 H ASP A 41 -12.126 -7.129 5.513 1.00 22.04 H new ATOM 0 HA ASP A 41 -14.116 -6.198 3.717 1.00 11.21 H new ATOM 0 HB2 ASP A 41 -13.632 -5.490 6.124 1.00 10.02 H new ATOM 0 HB3 ASP A 41 -12.238 -4.616 5.521 1.00 10.02 H new ATOM 674 N LEU A 42 -11.009 -5.386 3.001 1.00 12.15 N ATOM 675 CA LEU A 42 -10.120 -4.911 1.933 1.00 65.15 C ATOM 676 C LEU A 42 -10.385 -5.655 0.613 1.00 45.20 C ATOM 677 O LEU A 42 -10.710 -5.042 -0.409 1.00 14.44 O ATOM 678 CB LEU A 42 -8.656 -5.113 2.356 1.00 41.34 C ATOM 679 CG LEU A 42 -7.597 -4.814 1.280 1.00 52.12 C ATOM 680 CD1 LEU A 42 -7.579 -3.327 0.927 1.00 60.11 C ATOM 681 CD2 LEU A 42 -6.219 -5.285 1.746 1.00 44.33 C ATOM 0 H LEU A 42 -10.516 -5.757 3.813 1.00 12.15 H new ATOM 0 HA LEU A 42 -10.317 -3.851 1.770 1.00 65.15 H new ATOM 0 HB2 LEU A 42 -8.457 -4.479 3.220 1.00 41.34 H new ATOM 0 HB3 LEU A 42 -8.532 -6.145 2.683 1.00 41.34 H new ATOM 0 HG LEU A 42 -7.860 -5.364 0.376 1.00 52.12 H new ATOM 0 HD11 LEU A 42 -6.822 -3.143 0.165 1.00 60.11 H new ATOM 0 HD12 LEU A 42 -8.557 -3.032 0.546 1.00 60.11 H new ATOM 0 HD13 LEU A 42 -7.345 -2.744 1.818 1.00 60.11 H new ATOM 0 HD21 LEU A 42 -5.480 -5.067 0.975 1.00 44.33 H new ATOM 0 HD22 LEU A 42 -5.948 -4.765 2.665 1.00 44.33 H new ATOM 0 HD23 LEU A 42 -6.245 -6.359 1.931 1.00 44.33 H new ATOM 693 N PHE A 43 -10.252 -6.984 0.650 1.00 34.41 N ATOM 694 CA PHE A 43 -10.460 -7.820 -0.537 1.00 44.12 C ATOM 695 C PHE A 43 -11.886 -7.662 -1.079 1.00 42.42 C ATOM 696 O PHE A 43 -12.092 -7.563 -2.288 1.00 75.32 O ATOM 697 CB PHE A 43 -10.173 -9.298 -0.222 1.00 72.11 C ATOM 698 CG PHE A 43 -8.788 -9.554 0.333 1.00 60.45 C ATOM 699 CD1 PHE A 43 -7.699 -8.793 -0.077 1.00 65.12 C ATOM 700 CD2 PHE A 43 -8.575 -10.562 1.264 1.00 64.23 C ATOM 701 CE1 PHE A 43 -6.435 -9.034 0.431 1.00 51.03 C ATOM 702 CE2 PHE A 43 -7.313 -10.803 1.772 1.00 23.32 C ATOM 703 CZ PHE A 43 -6.244 -10.039 1.355 1.00 22.12 C ATOM 0 H PHE A 43 -10.001 -7.505 1.490 1.00 34.41 H new ATOM 0 HA PHE A 43 -9.762 -7.486 -1.304 1.00 44.12 H new ATOM 0 HB2 PHE A 43 -10.912 -9.656 0.495 1.00 72.11 H new ATOM 0 HB3 PHE A 43 -10.302 -9.884 -1.132 1.00 72.11 H new ATOM 0 HD1 PHE A 43 -7.842 -8.004 -0.801 1.00 65.12 H new ATOM 0 HD2 PHE A 43 -9.407 -11.166 1.595 1.00 64.23 H new ATOM 0 HE1 PHE A 43 -5.598 -8.435 0.104 1.00 51.03 H new ATOM 0 HE2 PHE A 43 -7.164 -11.590 2.496 1.00 23.32 H new ATOM 0 HZ PHE A 43 -5.257 -10.228 1.752 1.00 22.12 H new ATOM 713 N SER A 44 -12.863 -7.633 -0.172 1.00 23.41 N ATOM 714 CA SER A 44 -14.270 -7.401 -0.540 1.00 63.54 C ATOM 715 C SER A 44 -14.438 -6.081 -1.305 1.00 3.52 C ATOM 716 O SER A 44 -15.018 -6.046 -2.393 1.00 32.41 O ATOM 717 CB SER A 44 -15.152 -7.378 0.720 1.00 21.33 C ATOM 718 OG SER A 44 -16.478 -6.955 0.428 1.00 72.33 O ATOM 0 H SER A 44 -12.710 -7.767 0.828 1.00 23.41 H new ATOM 0 HA SER A 44 -14.581 -8.219 -1.190 1.00 63.54 H new ATOM 0 HB2 SER A 44 -15.177 -8.373 1.164 1.00 21.33 H new ATOM 0 HB3 SER A 44 -14.712 -6.710 1.460 1.00 21.33 H new ATOM 0 HG SER A 44 -17.010 -6.954 1.251 1.00 72.33 H new ATOM 724 N PHE A 45 -13.906 -5.002 -0.734 1.00 22.12 N ATOM 725 CA PHE A 45 -14.018 -3.666 -1.324 1.00 62.00 C ATOM 726 C PHE A 45 -13.410 -3.611 -2.737 1.00 71.23 C ATOM 727 O PHE A 45 -14.070 -3.201 -3.698 1.00 23.31 O ATOM 728 CB PHE A 45 -13.328 -2.640 -0.415 1.00 61.14 C ATOM 729 CG PHE A 45 -13.316 -1.244 -0.981 1.00 63.31 C ATOM 730 CD1 PHE A 45 -14.471 -0.478 -0.992 1.00 72.41 C ATOM 731 CD2 PHE A 45 -12.152 -0.701 -1.509 1.00 11.01 C ATOM 732 CE1 PHE A 45 -14.467 0.796 -1.518 1.00 24.14 C ATOM 733 CE2 PHE A 45 -12.145 0.576 -2.035 1.00 43.52 C ATOM 734 CZ PHE A 45 -13.303 1.323 -2.039 1.00 63.23 C ATOM 0 H PHE A 45 -13.388 -5.026 0.145 1.00 22.12 H new ATOM 0 HA PHE A 45 -15.078 -3.427 -1.413 1.00 62.00 H new ATOM 0 HB2 PHE A 45 -13.832 -2.627 0.552 1.00 61.14 H new ATOM 0 HB3 PHE A 45 -12.301 -2.959 -0.235 1.00 61.14 H new ATOM 0 HD1 PHE A 45 -15.385 -0.884 -0.584 1.00 72.41 H new ATOM 0 HD2 PHE A 45 -11.243 -1.284 -1.508 1.00 11.01 H new ATOM 0 HE1 PHE A 45 -15.374 1.382 -1.522 1.00 24.14 H new ATOM 0 HE2 PHE A 45 -11.234 0.988 -2.442 1.00 43.52 H new ATOM 0 HZ PHE A 45 -13.300 2.322 -2.450 1.00 63.23 H new ATOM 744 N MET A 46 -12.153 -4.029 -2.864 1.00 24.42 N ATOM 745 CA MET A 46 -11.464 -3.980 -4.154 1.00 10.23 C ATOM 746 C MET A 46 -12.081 -4.965 -5.169 1.00 33.34 C ATOM 747 O MET A 46 -12.153 -4.670 -6.365 1.00 23.40 O ATOM 748 CB MET A 46 -9.961 -4.243 -3.976 1.00 31.31 C ATOM 749 CG MET A 46 -9.621 -5.595 -3.368 1.00 12.11 C ATOM 750 SD MET A 46 -7.848 -5.815 -3.144 1.00 22.41 S ATOM 751 CE MET A 46 -7.263 -5.492 -4.805 1.00 52.23 C ATOM 0 H MET A 46 -11.593 -4.403 -2.097 1.00 24.42 H new ATOM 0 HA MET A 46 -11.592 -2.976 -4.559 1.00 10.23 H new ATOM 0 HB2 MET A 46 -9.474 -4.164 -4.948 1.00 31.31 H new ATOM 0 HB3 MET A 46 -9.541 -3.460 -3.345 1.00 31.31 H new ATOM 0 HG2 MET A 46 -10.122 -5.695 -2.405 1.00 12.11 H new ATOM 0 HG3 MET A 46 -10.005 -6.387 -4.011 1.00 12.11 H new ATOM 0 HE1 MET A 46 -6.182 -5.624 -4.842 1.00 52.23 H new ATOM 0 HE2 MET A 46 -7.737 -6.186 -5.499 1.00 52.23 H new ATOM 0 HE3 MET A 46 -7.514 -4.469 -5.087 1.00 52.23 H new ATOM 761 N GLN A 47 -12.545 -6.125 -4.692 1.00 12.04 N ATOM 762 CA GLN A 47 -13.229 -7.094 -5.560 1.00 61.53 C ATOM 763 C GLN A 47 -14.488 -6.478 -6.186 1.00 61.22 C ATOM 764 O GLN A 47 -14.724 -6.604 -7.391 1.00 70.01 O ATOM 765 CB GLN A 47 -13.596 -8.363 -4.775 1.00 32.12 C ATOM 766 CG GLN A 47 -14.422 -9.369 -5.573 1.00 71.44 C ATOM 767 CD GLN A 47 -14.663 -10.675 -4.832 1.00 75.05 C ATOM 768 OE1 GLN A 47 -14.711 -10.716 -3.607 1.00 22.43 O ATOM 769 NE2 GLN A 47 -14.820 -11.755 -5.572 1.00 50.03 N ATOM 0 H GLN A 47 -12.461 -6.416 -3.718 1.00 12.04 H new ATOM 0 HA GLN A 47 -12.543 -7.365 -6.362 1.00 61.53 H new ATOM 0 HB2 GLN A 47 -12.680 -8.847 -4.438 1.00 32.12 H new ATOM 0 HB3 GLN A 47 -14.153 -8.078 -3.883 1.00 32.12 H new ATOM 0 HG2 GLN A 47 -15.383 -8.920 -5.825 1.00 71.44 H new ATOM 0 HG3 GLN A 47 -13.913 -9.582 -6.513 1.00 71.44 H new ATOM 0 HE21 GLN A 47 -14.775 -11.688 -6.589 1.00 50.03 H new ATOM 0 HE22 GLN A 47 -14.987 -12.658 -5.128 1.00 50.03 H new ATOM 778 N LYS A 48 -15.282 -5.798 -5.359 1.00 73.24 N ATOM 779 CA LYS A 48 -16.498 -5.118 -5.822 1.00 60.22 C ATOM 780 C LYS A 48 -16.210 -4.133 -6.966 1.00 2.22 C ATOM 781 O LYS A 48 -16.952 -4.075 -7.947 1.00 24.34 O ATOM 782 CB LYS A 48 -17.163 -4.373 -4.656 1.00 52.22 C ATOM 783 CG LYS A 48 -17.822 -5.290 -3.632 1.00 43.51 C ATOM 784 CD LYS A 48 -18.343 -4.508 -2.428 1.00 32.03 C ATOM 785 CE LYS A 48 -19.157 -5.390 -1.490 1.00 64.34 C ATOM 786 NZ LYS A 48 -20.401 -5.889 -2.139 1.00 20.24 N ATOM 0 H LYS A 48 -15.106 -5.702 -4.359 1.00 73.24 H new ATOM 0 HA LYS A 48 -17.172 -5.885 -6.204 1.00 60.22 H new ATOM 0 HB2 LYS A 48 -16.413 -3.763 -4.153 1.00 52.22 H new ATOM 0 HB3 LYS A 48 -17.914 -3.691 -5.055 1.00 52.22 H new ATOM 0 HG2 LYS A 48 -18.646 -5.827 -4.101 1.00 43.51 H new ATOM 0 HG3 LYS A 48 -17.103 -6.038 -3.297 1.00 43.51 H new ATOM 0 HD2 LYS A 48 -17.503 -4.077 -1.884 1.00 32.03 H new ATOM 0 HD3 LYS A 48 -18.960 -3.678 -2.773 1.00 32.03 H new ATOM 0 HE2 LYS A 48 -18.550 -6.237 -1.169 1.00 64.34 H new ATOM 0 HE3 LYS A 48 -19.416 -4.826 -0.594 1.00 64.34 H new ATOM 0 HZ1 LYS A 48 -21.052 -6.249 -1.412 1.00 20.24 H new ATOM 0 HZ2 LYS A 48 -20.858 -5.112 -2.658 1.00 20.24 H new ATOM 0 HZ3 LYS A 48 -20.164 -6.655 -2.801 1.00 20.24 H new ATOM 800 N ARG A 49 -15.124 -3.371 -6.847 1.00 51.22 N ATOM 801 CA ARG A 49 -14.787 -2.361 -7.861 1.00 40.40 C ATOM 802 C ARG A 49 -13.971 -2.949 -9.032 1.00 44.42 C ATOM 803 O ARG A 49 -13.548 -2.218 -9.929 1.00 41.35 O ATOM 804 CB ARG A 49 -14.055 -1.175 -7.216 1.00 55.15 C ATOM 805 CG ARG A 49 -12.714 -1.519 -6.582 1.00 3.45 C ATOM 806 CD ARG A 49 -12.161 -0.342 -5.786 1.00 64.11 C ATOM 807 NE ARG A 49 -12.095 0.881 -6.589 1.00 73.01 N ATOM 808 CZ ARG A 49 -12.426 2.073 -6.156 1.00 42.53 C ATOM 809 NH1 ARG A 49 -12.836 2.246 -4.941 1.00 53.43 N ATOM 810 NH2 ARG A 49 -12.351 3.090 -6.952 1.00 32.44 N ATOM 0 H ARG A 49 -14.466 -3.429 -6.070 1.00 51.22 H new ATOM 0 HA ARG A 49 -15.725 -2.004 -8.285 1.00 40.40 H new ATOM 0 HB2 ARG A 49 -13.896 -0.409 -7.975 1.00 55.15 H new ATOM 0 HB3 ARG A 49 -14.700 -0.740 -6.453 1.00 55.15 H new ATOM 0 HG2 ARG A 49 -12.830 -2.382 -5.926 1.00 3.45 H new ATOM 0 HG3 ARG A 49 -12.004 -1.802 -7.359 1.00 3.45 H new ATOM 0 HD2 ARG A 49 -12.789 -0.168 -4.912 1.00 64.11 H new ATOM 0 HD3 ARG A 49 -11.165 -0.589 -5.419 1.00 64.11 H new ATOM 0 HE ARG A 49 -11.769 0.799 -7.552 1.00 73.01 H new ATOM 0 HH11 ARG A 49 -12.905 1.449 -4.308 1.00 53.43 H new ATOM 0 HH12 ARG A 49 -13.090 3.179 -4.617 1.00 53.43 H new ATOM 0 HH21 ARG A 49 -12.035 2.963 -7.913 1.00 32.44 H new ATOM 0 HH22 ARG A 49 -12.608 4.019 -6.618 1.00 32.44 H new ATOM 824 N GLY A 50 -13.761 -4.268 -9.026 1.00 20.21 N ATOM 825 CA GLY A 50 -13.189 -4.943 -10.195 1.00 52.40 C ATOM 826 C GLY A 50 -11.731 -5.385 -10.049 1.00 63.23 C ATOM 827 O GLY A 50 -10.976 -5.365 -11.024 1.00 62.02 O ATOM 0 H GLY A 50 -13.974 -4.881 -8.239 1.00 20.21 H new ATOM 0 HA2 GLY A 50 -13.796 -5.820 -10.420 1.00 52.40 H new ATOM 0 HA3 GLY A 50 -13.264 -4.274 -11.053 1.00 52.40 H new ATOM 831 N THR A 51 -11.324 -5.799 -8.849 1.00 33.21 N ATOM 832 CA THR A 51 -9.969 -6.344 -8.646 1.00 71.40 C ATOM 833 C THR A 51 -9.858 -7.165 -7.348 1.00 61.31 C ATOM 834 O THR A 51 -9.691 -6.616 -6.265 1.00 54.03 O ATOM 835 CB THR A 51 -8.877 -5.233 -8.660 1.00 24.23 C ATOM 836 OG1 THR A 51 -7.594 -5.784 -8.304 1.00 33.24 O ATOM 837 CG2 THR A 51 -9.229 -4.082 -7.716 1.00 61.21 C ATOM 0 H THR A 51 -11.900 -5.771 -8.008 1.00 33.21 H new ATOM 0 HA THR A 51 -9.792 -7.010 -9.490 1.00 71.40 H new ATOM 0 HB THR A 51 -8.830 -4.835 -9.674 1.00 24.23 H new ATOM 0 HG1 THR A 51 -6.918 -5.075 -8.319 1.00 33.24 H new ATOM 0 HG21 THR A 51 -8.443 -3.327 -7.754 1.00 61.21 H new ATOM 0 HG22 THR A 51 -10.175 -3.636 -8.023 1.00 61.21 H new ATOM 0 HG23 THR A 51 -9.319 -4.461 -6.698 1.00 61.21 H new ATOM 845 N PRO A 52 -9.988 -8.504 -7.438 1.00 50.11 N ATOM 846 CA PRO A 52 -9.780 -9.403 -6.295 1.00 34.21 C ATOM 847 C PRO A 52 -8.309 -9.851 -6.153 1.00 74.20 C ATOM 848 O PRO A 52 -7.556 -9.859 -7.128 1.00 54.11 O ATOM 849 CB PRO A 52 -10.678 -10.586 -6.656 1.00 0.41 C ATOM 850 CG PRO A 52 -10.609 -10.666 -8.149 1.00 62.50 C ATOM 851 CD PRO A 52 -10.379 -9.254 -8.652 1.00 10.31 C ATOM 0 HA PRO A 52 -10.012 -8.934 -5.339 1.00 34.21 H new ATOM 0 HB2 PRO A 52 -10.326 -11.508 -6.192 1.00 0.41 H new ATOM 0 HB3 PRO A 52 -11.701 -10.427 -6.314 1.00 0.41 H new ATOM 0 HG2 PRO A 52 -9.800 -11.325 -8.464 1.00 62.50 H new ATOM 0 HG3 PRO A 52 -11.532 -11.077 -8.557 1.00 62.50 H new ATOM 0 HD2 PRO A 52 -9.597 -9.222 -9.411 1.00 10.31 H new ATOM 0 HD3 PRO A 52 -11.280 -8.839 -9.105 1.00 10.31 H new ATOM 859 N VAL A 53 -7.904 -10.226 -4.937 1.00 24.45 N ATOM 860 CA VAL A 53 -6.523 -10.672 -4.685 1.00 10.40 C ATOM 861 C VAL A 53 -6.408 -12.206 -4.716 1.00 22.15 C ATOM 862 O VAL A 53 -6.868 -12.890 -3.806 1.00 2.03 O ATOM 863 CB VAL A 53 -5.996 -10.148 -3.323 1.00 11.15 C ATOM 864 CG1 VAL A 53 -4.556 -10.607 -3.079 1.00 24.05 C ATOM 865 CG2 VAL A 53 -6.097 -8.626 -3.261 1.00 12.21 C ATOM 0 H VAL A 53 -8.505 -10.231 -4.113 1.00 24.45 H new ATOM 0 HA VAL A 53 -5.912 -10.256 -5.486 1.00 10.40 H new ATOM 0 HB VAL A 53 -6.619 -10.567 -2.533 1.00 11.15 H new ATOM 0 HG11 VAL A 53 -4.211 -10.226 -2.118 1.00 24.05 H new ATOM 0 HG12 VAL A 53 -4.517 -11.696 -3.073 1.00 24.05 H new ATOM 0 HG13 VAL A 53 -3.913 -10.226 -3.872 1.00 24.05 H new ATOM 0 HG21 VAL A 53 -5.723 -8.275 -2.299 1.00 12.21 H new ATOM 0 HG22 VAL A 53 -5.502 -8.189 -4.063 1.00 12.21 H new ATOM 0 HG23 VAL A 53 -7.138 -8.325 -3.377 1.00 12.21 H new ATOM 875 N ASN A 54 -5.821 -12.735 -5.790 1.00 2.44 N ATOM 876 CA ASN A 54 -5.578 -14.181 -5.918 1.00 65.04 C ATOM 877 C ASN A 54 -4.116 -14.531 -5.587 1.00 71.51 C ATOM 878 O ASN A 54 -3.825 -15.144 -4.560 1.00 22.11 O ATOM 879 CB ASN A 54 -5.922 -14.667 -7.335 1.00 12.21 C ATOM 880 CG ASN A 54 -7.416 -14.653 -7.639 1.00 31.44 C ATOM 881 OD1 ASN A 54 -8.157 -13.746 -7.028 1.00 13.14 O flip ATOM 882 ND2 ASN A 54 -7.904 -15.456 -8.427 1.00 72.32 N flip ATOM 0 H ASN A 54 -5.503 -12.186 -6.588 1.00 2.44 H new ATOM 0 HA ASN A 54 -6.225 -14.688 -5.202 1.00 65.04 H new ATOM 0 HB2 ASN A 54 -5.406 -14.039 -8.061 1.00 12.21 H new ATOM 0 HB3 ASN A 54 -5.543 -15.681 -7.465 1.00 12.21 H new ATOM 0 HD21 ASN A 54 -7.309 -16.146 -8.885 1.00 72.32 H new ATOM 0 HD22 ASN A 54 -8.905 -15.434 -8.624 1.00 72.32 H new ATOM 889 N ARG A 55 -3.193 -14.136 -6.464 1.00 54.32 N ATOM 890 CA ARG A 55 -1.763 -14.401 -6.255 1.00 70.12 C ATOM 891 C ARG A 55 -1.047 -13.193 -5.622 1.00 41.00 C ATOM 892 O ARG A 55 -1.026 -12.092 -6.180 1.00 13.12 O ATOM 893 CB ARG A 55 -1.104 -14.814 -7.579 1.00 15.23 C ATOM 894 CG ARG A 55 -1.624 -16.153 -8.098 1.00 55.10 C ATOM 895 CD ARG A 55 -1.009 -16.546 -9.435 1.00 61.11 C ATOM 896 NE ARG A 55 -1.431 -17.888 -9.839 1.00 51.23 N ATOM 897 CZ ARG A 55 -1.762 -18.231 -11.054 1.00 4.05 C ATOM 898 NH1 ARG A 55 -1.738 -17.366 -12.017 1.00 0.54 N ATOM 899 NH2 ARG A 55 -2.130 -19.445 -11.301 1.00 33.44 N ATOM 0 H ARG A 55 -3.406 -13.632 -7.325 1.00 54.32 H new ATOM 0 HA ARG A 55 -1.669 -15.227 -5.550 1.00 70.12 H new ATOM 0 HB2 ARG A 55 -1.285 -14.043 -8.328 1.00 15.23 H new ATOM 0 HB3 ARG A 55 -0.025 -14.876 -7.440 1.00 15.23 H new ATOM 0 HG2 ARG A 55 -1.412 -16.930 -7.363 1.00 55.10 H new ATOM 0 HG3 ARG A 55 -2.708 -16.101 -8.203 1.00 55.10 H new ATOM 0 HD2 ARG A 55 -1.301 -15.825 -10.198 1.00 61.11 H new ATOM 0 HD3 ARG A 55 0.078 -16.510 -9.363 1.00 61.11 H new ATOM 0 HE ARG A 55 -1.469 -18.608 -9.118 1.00 51.23 H new ATOM 0 HH11 ARG A 55 -1.458 -16.403 -11.831 1.00 0.54 H new ATOM 0 HH12 ARG A 55 -1.999 -17.647 -12.962 1.00 0.54 H new ATOM 0 HH21 ARG A 55 -2.161 -20.132 -10.548 1.00 33.44 H new ATOM 0 HH22 ARG A 55 -2.389 -19.716 -12.249 1.00 33.44 H new ATOM 913 N ILE A 56 -0.455 -13.425 -4.449 1.00 2.12 N ATOM 914 CA ILE A 56 0.161 -12.363 -3.642 1.00 62.14 C ATOM 915 C ILE A 56 1.671 -12.220 -3.939 1.00 34.24 C ATOM 916 O ILE A 56 2.366 -13.219 -4.134 1.00 3.00 O ATOM 917 CB ILE A 56 -0.050 -12.666 -2.132 1.00 64.52 C ATOM 918 CG1 ILE A 56 -1.545 -12.904 -1.847 1.00 0.41 C ATOM 919 CG2 ILE A 56 0.492 -11.534 -1.255 1.00 51.43 C ATOM 920 CD1 ILE A 56 -1.841 -13.327 -0.425 1.00 65.44 C ATOM 0 H ILE A 56 -0.388 -14.352 -4.030 1.00 2.12 H new ATOM 0 HA ILE A 56 -0.321 -11.421 -3.904 1.00 62.14 H new ATOM 0 HB ILE A 56 0.507 -13.570 -1.885 1.00 64.52 H new ATOM 0 HG12 ILE A 56 -2.096 -11.989 -2.065 1.00 0.41 H new ATOM 0 HG13 ILE A 56 -1.917 -13.670 -2.528 1.00 0.41 H new ATOM 0 HG21 ILE A 56 0.329 -11.777 -0.205 1.00 51.43 H new ATOM 0 HG22 ILE A 56 1.560 -11.412 -1.437 1.00 51.43 H new ATOM 0 HG23 ILE A 56 -0.026 -10.606 -1.497 1.00 51.43 H new ATOM 0 HD11 ILE A 56 -2.914 -13.474 -0.305 1.00 65.44 H new ATOM 0 HD12 ILE A 56 -1.320 -14.259 -0.207 1.00 65.44 H new ATOM 0 HD13 ILE A 56 -1.502 -12.552 0.263 1.00 65.44 H new ATOM 932 N PRO A 57 2.192 -10.969 -3.997 1.00 43.23 N ATOM 933 CA PRO A 57 3.630 -10.705 -4.247 1.00 43.01 C ATOM 934 C PRO A 57 4.571 -11.299 -3.176 1.00 40.41 C ATOM 935 O PRO A 57 4.229 -11.368 -1.991 1.00 50.45 O ATOM 936 CB PRO A 57 3.721 -9.167 -4.231 1.00 1.21 C ATOM 937 CG PRO A 57 2.331 -8.696 -4.492 1.00 73.23 C ATOM 938 CD PRO A 57 1.430 -9.712 -3.852 1.00 40.15 C ATOM 0 HA PRO A 57 3.952 -11.170 -5.179 1.00 43.01 H new ATOM 0 HB2 PRO A 57 4.087 -8.803 -3.271 1.00 1.21 H new ATOM 0 HB3 PRO A 57 4.410 -8.804 -4.993 1.00 1.21 H new ATOM 0 HG2 PRO A 57 2.167 -7.705 -4.068 1.00 73.23 H new ATOM 0 HG3 PRO A 57 2.138 -8.620 -5.562 1.00 73.23 H new ATOM 0 HD2 PRO A 57 1.235 -9.477 -2.806 1.00 40.15 H new ATOM 0 HD3 PRO A 57 0.463 -9.766 -4.352 1.00 40.15 H new ATOM 946 N ILE A 58 5.771 -11.705 -3.605 1.00 33.12 N ATOM 947 CA ILE A 58 6.776 -12.292 -2.702 1.00 54.03 C ATOM 948 C ILE A 58 8.023 -11.390 -2.582 1.00 32.24 C ATOM 949 O ILE A 58 8.606 -10.981 -3.587 1.00 72.53 O ATOM 950 CB ILE A 58 7.217 -13.699 -3.192 1.00 64.13 C ATOM 951 CG1 ILE A 58 6.015 -14.660 -3.240 1.00 0.52 C ATOM 952 CG2 ILE A 58 8.325 -14.272 -2.305 1.00 22.33 C ATOM 953 CD1 ILE A 58 5.359 -14.899 -1.892 1.00 42.22 C ATOM 0 H ILE A 58 6.074 -11.639 -4.577 1.00 33.12 H new ATOM 0 HA ILE A 58 6.305 -12.381 -1.723 1.00 54.03 H new ATOM 0 HB ILE A 58 7.615 -13.590 -4.201 1.00 64.13 H new ATOM 0 HG12 ILE A 58 5.271 -14.260 -3.928 1.00 0.52 H new ATOM 0 HG13 ILE A 58 6.344 -15.616 -3.647 1.00 0.52 H new ATOM 0 HG21 ILE A 58 8.613 -15.257 -2.673 1.00 22.33 H new ATOM 0 HG22 ILE A 58 9.190 -13.609 -2.329 1.00 22.33 H new ATOM 0 HG23 ILE A 58 7.963 -14.359 -1.281 1.00 22.33 H new ATOM 0 HD11 ILE A 58 4.522 -15.586 -2.012 1.00 42.22 H new ATOM 0 HD12 ILE A 58 6.087 -15.330 -1.204 1.00 42.22 H new ATOM 0 HD13 ILE A 58 4.997 -13.952 -1.491 1.00 42.22 H new ATOM 965 N MET A 59 8.432 -11.097 -1.348 1.00 75.40 N ATOM 966 CA MET A 59 9.614 -10.260 -1.088 1.00 2.31 C ATOM 967 C MET A 59 10.479 -10.877 0.021 1.00 72.11 C ATOM 968 O MET A 59 9.955 -11.330 1.035 1.00 65.34 O ATOM 969 CB MET A 59 9.180 -8.845 -0.681 1.00 34.41 C ATOM 970 CG MET A 59 10.338 -7.875 -0.484 1.00 54.33 C ATOM 971 SD MET A 59 11.223 -7.535 -2.020 1.00 41.13 S ATOM 972 CE MET A 59 9.968 -6.657 -2.950 1.00 43.21 C ATOM 0 H MET A 59 7.962 -11.427 -0.505 1.00 75.40 H new ATOM 0 HA MET A 59 10.204 -10.205 -2.003 1.00 2.31 H new ATOM 0 HB2 MET A 59 8.512 -8.447 -1.445 1.00 34.41 H new ATOM 0 HB3 MET A 59 8.607 -8.904 0.244 1.00 34.41 H new ATOM 0 HG2 MET A 59 9.958 -6.940 -0.072 1.00 54.33 H new ATOM 0 HG3 MET A 59 11.032 -8.287 0.248 1.00 54.33 H new ATOM 0 HE1 MET A 59 10.439 -6.095 -3.756 1.00 43.21 H new ATOM 0 HE2 MET A 59 9.261 -7.371 -3.371 1.00 43.21 H new ATOM 0 HE3 MET A 59 9.440 -5.970 -2.289 1.00 43.21 H new ATOM 982 N ALA A 60 11.802 -10.899 -0.179 1.00 54.15 N ATOM 983 CA ALA A 60 12.736 -11.477 0.805 1.00 21.24 C ATOM 984 C ALA A 60 12.398 -12.951 1.117 1.00 75.43 C ATOM 985 O ALA A 60 12.676 -13.448 2.210 1.00 11.20 O ATOM 986 CB ALA A 60 12.746 -10.634 2.084 1.00 63.13 C ATOM 0 H ALA A 60 12.254 -10.524 -1.013 1.00 54.15 H new ATOM 0 HA ALA A 60 13.735 -11.462 0.368 1.00 21.24 H new ATOM 0 HB1 ALA A 60 13.439 -11.071 2.802 1.00 63.13 H new ATOM 0 HB2 ALA A 60 13.061 -9.618 1.848 1.00 63.13 H new ATOM 0 HB3 ALA A 60 11.744 -10.612 2.513 1.00 63.13 H new ATOM 992 N LYS A 61 11.819 -13.637 0.124 1.00 53.34 N ATOM 993 CA LYS A 61 11.415 -15.051 0.242 1.00 52.13 C ATOM 994 C LYS A 61 10.227 -15.249 1.204 1.00 50.32 C ATOM 995 O LYS A 61 9.939 -16.369 1.627 1.00 24.23 O ATOM 996 CB LYS A 61 12.607 -15.938 0.656 1.00 50.32 C ATOM 997 CG LYS A 61 13.778 -15.903 -0.324 1.00 24.33 C ATOM 998 CD LYS A 61 13.345 -16.264 -1.747 1.00 73.43 C ATOM 999 CE LYS A 61 14.511 -16.188 -2.726 1.00 34.22 C ATOM 1000 NZ LYS A 61 14.074 -16.376 -4.135 1.00 63.24 N ATOM 0 H LYS A 61 11.615 -13.229 -0.788 1.00 53.34 H new ATOM 0 HA LYS A 61 11.079 -15.361 -0.747 1.00 52.13 H new ATOM 0 HB2 LYS A 61 12.959 -15.621 1.638 1.00 50.32 H new ATOM 0 HB3 LYS A 61 12.263 -16.967 0.758 1.00 50.32 H new ATOM 0 HG2 LYS A 61 14.223 -14.908 -0.322 1.00 24.33 H new ATOM 0 HG3 LYS A 61 14.549 -16.598 0.008 1.00 24.33 H new ATOM 0 HD2 LYS A 61 12.927 -17.271 -1.756 1.00 73.43 H new ATOM 0 HD3 LYS A 61 12.554 -15.587 -2.070 1.00 73.43 H new ATOM 0 HE2 LYS A 61 15.005 -15.221 -2.626 1.00 34.22 H new ATOM 0 HE3 LYS A 61 15.248 -16.950 -2.471 1.00 34.22 H new ATOM 0 HZ1 LYS A 61 14.899 -16.317 -4.765 1.00 63.24 H new ATOM 0 HZ2 LYS A 61 13.626 -17.309 -4.238 1.00 63.24 H new ATOM 0 HZ3 LYS A 61 13.391 -15.634 -4.388 1.00 63.24 H new ATOM 1014 N GLN A 62 9.527 -14.166 1.533 1.00 2.31 N ATOM 1015 CA GLN A 62 8.285 -14.254 2.312 1.00 73.52 C ATOM 1016 C GLN A 62 7.137 -13.530 1.596 1.00 12.03 C ATOM 1017 O GLN A 62 7.329 -12.915 0.545 1.00 72.43 O ATOM 1018 CB GLN A 62 8.464 -13.662 3.719 1.00 13.14 C ATOM 1019 CG GLN A 62 8.794 -12.171 3.735 1.00 4.31 C ATOM 1020 CD GLN A 62 8.484 -11.516 5.073 1.00 40.12 C ATOM 1021 OE1 GLN A 62 9.313 -11.492 5.978 1.00 74.24 O ATOM 1022 NE2 GLN A 62 7.285 -10.977 5.210 1.00 74.14 N ATOM 0 H GLN A 62 9.795 -13.216 1.275 1.00 2.31 H new ATOM 0 HA GLN A 62 8.038 -15.312 2.406 1.00 73.52 H new ATOM 0 HB2 GLN A 62 7.549 -13.826 4.289 1.00 13.14 H new ATOM 0 HB3 GLN A 62 9.260 -14.204 4.230 1.00 13.14 H new ATOM 0 HG2 GLN A 62 9.850 -12.034 3.504 1.00 4.31 H new ATOM 0 HG3 GLN A 62 8.229 -11.669 2.950 1.00 4.31 H new ATOM 0 HE21 GLN A 62 6.618 -11.013 4.439 1.00 74.14 H new ATOM 0 HE22 GLN A 62 7.026 -10.525 6.087 1.00 74.14 H new ATOM 1031 N VAL A 63 5.943 -13.611 2.167 1.00 21.21 N ATOM 1032 CA VAL A 63 4.775 -12.917 1.619 1.00 23.33 C ATOM 1033 C VAL A 63 4.810 -11.414 1.947 1.00 23.42 C ATOM 1034 O VAL A 63 5.323 -11.005 2.991 1.00 22.41 O ATOM 1035 CB VAL A 63 3.460 -13.529 2.162 1.00 52.22 C ATOM 1036 CG1 VAL A 63 3.401 -13.429 3.687 1.00 51.34 C ATOM 1037 CG2 VAL A 63 2.237 -12.866 1.524 1.00 62.53 C ATOM 0 H VAL A 63 5.753 -14.150 3.012 1.00 21.21 H new ATOM 0 HA VAL A 63 4.809 -13.041 0.537 1.00 23.33 H new ATOM 0 HB VAL A 63 3.447 -14.585 1.891 1.00 52.22 H new ATOM 0 HG11 VAL A 63 2.468 -13.865 4.044 1.00 51.34 H new ATOM 0 HG12 VAL A 63 4.243 -13.969 4.120 1.00 51.34 H new ATOM 0 HG13 VAL A 63 3.449 -12.382 3.985 1.00 51.34 H new ATOM 0 HG21 VAL A 63 1.329 -13.316 1.925 1.00 62.53 H new ATOM 0 HG22 VAL A 63 2.243 -11.799 1.748 1.00 62.53 H new ATOM 0 HG23 VAL A 63 2.267 -13.010 0.444 1.00 62.53 H new ATOM 1047 N LEU A 64 4.280 -10.597 1.042 1.00 74.42 N ATOM 1048 CA LEU A 64 4.161 -9.159 1.283 1.00 33.43 C ATOM 1049 C LEU A 64 2.983 -8.862 2.228 1.00 23.00 C ATOM 1050 O LEU A 64 1.818 -8.942 1.831 1.00 70.43 O ATOM 1051 CB LEU A 64 3.985 -8.414 -0.050 1.00 44.42 C ATOM 1052 CG LEU A 64 3.894 -6.882 0.054 1.00 50.23 C ATOM 1053 CD1 LEU A 64 5.140 -6.309 0.732 1.00 43.30 C ATOM 1054 CD2 LEU A 64 3.699 -6.258 -1.328 1.00 65.43 C ATOM 0 H LEU A 64 3.926 -10.903 0.136 1.00 74.42 H new ATOM 0 HA LEU A 64 5.076 -8.809 1.762 1.00 33.43 H new ATOM 0 HB2 LEU A 64 4.822 -8.667 -0.701 1.00 44.42 H new ATOM 0 HB3 LEU A 64 3.081 -8.782 -0.535 1.00 44.42 H new ATOM 0 HG LEU A 64 3.028 -6.634 0.668 1.00 50.23 H new ATOM 0 HD11 LEU A 64 5.054 -5.224 0.795 1.00 43.30 H new ATOM 0 HD12 LEU A 64 5.232 -6.724 1.736 1.00 43.30 H new ATOM 0 HD13 LEU A 64 6.024 -6.570 0.149 1.00 43.30 H new ATOM 0 HD21 LEU A 64 3.637 -5.174 -1.232 1.00 65.43 H new ATOM 0 HD22 LEU A 64 4.543 -6.518 -1.967 1.00 65.43 H new ATOM 0 HD23 LEU A 64 2.778 -6.636 -1.771 1.00 65.43 H new ATOM 1066 N ASP A 65 3.293 -8.549 3.488 1.00 70.42 N ATOM 1067 CA ASP A 65 2.269 -8.241 4.491 1.00 2.23 C ATOM 1068 C ASP A 65 1.415 -7.026 4.081 1.00 23.14 C ATOM 1069 O ASP A 65 1.696 -5.896 4.480 1.00 64.24 O ATOM 1070 CB ASP A 65 2.923 -7.976 5.851 1.00 32.40 C ATOM 1071 CG ASP A 65 3.898 -9.067 6.251 1.00 15.15 C ATOM 1072 OD1 ASP A 65 5.085 -8.971 5.875 1.00 61.22 O ATOM 1073 OD2 ASP A 65 3.488 -10.009 6.954 1.00 30.42 O ATOM 0 H ASP A 65 4.249 -8.502 3.840 1.00 70.42 H new ATOM 0 HA ASP A 65 1.611 -9.107 4.563 1.00 2.23 H new ATOM 0 HB2 ASP A 65 3.446 -7.020 5.819 1.00 32.40 H new ATOM 0 HB3 ASP A 65 2.148 -7.889 6.612 1.00 32.40 H new ATOM 1078 N LEU A 66 0.378 -7.268 3.278 1.00 24.24 N ATOM 1079 CA LEU A 66 -0.509 -6.197 2.797 1.00 41.24 C ATOM 1080 C LEU A 66 -1.057 -5.337 3.950 1.00 41.45 C ATOM 1081 O LEU A 66 -1.093 -4.109 3.858 1.00 23.01 O ATOM 1082 CB LEU A 66 -1.670 -6.794 1.989 1.00 52.30 C ATOM 1083 CG LEU A 66 -1.260 -7.592 0.736 1.00 74.24 C ATOM 1084 CD1 LEU A 66 -2.489 -8.157 0.026 1.00 70.01 C ATOM 1085 CD2 LEU A 66 -0.435 -6.726 -0.217 1.00 62.10 C ATOM 0 H LEU A 66 0.127 -8.198 2.944 1.00 24.24 H new ATOM 0 HA LEU A 66 0.085 -5.546 2.156 1.00 41.24 H new ATOM 0 HB2 LEU A 66 -2.247 -7.448 2.643 1.00 52.30 H new ATOM 0 HB3 LEU A 66 -2.332 -5.984 1.683 1.00 52.30 H new ATOM 0 HG LEU A 66 -0.639 -8.428 1.058 1.00 74.24 H new ATOM 0 HD11 LEU A 66 -2.175 -8.716 -0.855 1.00 70.01 H new ATOM 0 HD12 LEU A 66 -3.028 -8.820 0.703 1.00 70.01 H new ATOM 0 HD13 LEU A 66 -3.142 -7.339 -0.277 1.00 70.01 H new ATOM 0 HD21 LEU A 66 -0.158 -7.312 -1.093 1.00 62.10 H new ATOM 0 HD22 LEU A 66 -1.025 -5.864 -0.528 1.00 62.10 H new ATOM 0 HD23 LEU A 66 0.467 -6.384 0.291 1.00 62.10 H new ATOM 1097 N PHE A 67 -1.474 -5.988 5.035 1.00 72.11 N ATOM 1098 CA PHE A 67 -2.000 -5.280 6.210 1.00 73.55 C ATOM 1099 C PHE A 67 -0.972 -4.283 6.772 1.00 0.30 C ATOM 1100 O PHE A 67 -1.277 -3.110 6.989 1.00 24.24 O ATOM 1101 CB PHE A 67 -2.392 -6.291 7.302 1.00 33.54 C ATOM 1102 CG PHE A 67 -2.940 -5.656 8.563 1.00 2.41 C ATOM 1103 CD1 PHE A 67 -2.093 -5.283 9.599 1.00 1.30 C ATOM 1104 CD2 PHE A 67 -4.300 -5.432 8.710 1.00 44.14 C ATOM 1105 CE1 PHE A 67 -2.592 -4.702 10.750 1.00 73.23 C ATOM 1106 CE2 PHE A 67 -4.805 -4.851 9.859 1.00 15.43 C ATOM 1107 CZ PHE A 67 -3.951 -4.486 10.880 1.00 33.23 C ATOM 0 H PHE A 67 -1.459 -7.004 5.129 1.00 72.11 H new ATOM 0 HA PHE A 67 -2.881 -4.720 5.896 1.00 73.55 H new ATOM 0 HB2 PHE A 67 -3.139 -6.975 6.898 1.00 33.54 H new ATOM 0 HB3 PHE A 67 -1.518 -6.889 7.559 1.00 33.54 H new ATOM 0 HD1 PHE A 67 -1.030 -5.449 9.504 1.00 1.30 H new ATOM 0 HD2 PHE A 67 -4.975 -5.715 7.916 1.00 44.14 H new ATOM 0 HE1 PHE A 67 -1.921 -4.417 11.547 1.00 73.23 H new ATOM 0 HE2 PHE A 67 -5.867 -4.683 9.957 1.00 15.43 H new ATOM 0 HZ PHE A 67 -4.344 -4.033 11.778 1.00 33.23 H new ATOM 1117 N MET A 68 0.252 -4.759 6.990 1.00 22.24 N ATOM 1118 CA MET A 68 1.307 -3.931 7.580 1.00 71.42 C ATOM 1119 C MET A 68 1.800 -2.869 6.586 1.00 23.21 C ATOM 1120 O MET A 68 2.122 -1.749 6.973 1.00 24.00 O ATOM 1121 CB MET A 68 2.477 -4.806 8.045 1.00 35.12 C ATOM 1122 CG MET A 68 2.073 -5.917 9.008 1.00 34.43 C ATOM 1123 SD MET A 68 1.221 -5.305 10.480 1.00 14.31 S ATOM 1124 CE MET A 68 2.477 -4.240 11.193 1.00 73.32 C ATOM 0 H MET A 68 0.540 -5.712 6.768 1.00 22.24 H new ATOM 0 HA MET A 68 0.886 -3.417 8.444 1.00 71.42 H new ATOM 0 HB2 MET A 68 2.954 -5.251 7.172 1.00 35.12 H new ATOM 0 HB3 MET A 68 3.222 -4.173 8.528 1.00 35.12 H new ATOM 0 HG2 MET A 68 1.425 -6.623 8.488 1.00 34.43 H new ATOM 0 HG3 MET A 68 2.963 -6.467 9.313 1.00 34.43 H new ATOM 0 HE1 MET A 68 2.203 -3.989 12.218 1.00 73.32 H new ATOM 0 HE2 MET A 68 3.437 -4.757 11.190 1.00 73.32 H new ATOM 0 HE3 MET A 68 2.556 -3.326 10.605 1.00 73.32 H new ATOM 1134 N LEU A 69 1.848 -3.230 5.304 1.00 12.21 N ATOM 1135 CA LEU A 69 2.233 -2.293 4.243 1.00 3.43 C ATOM 1136 C LEU A 69 1.307 -1.064 4.245 1.00 2.03 C ATOM 1137 O LEU A 69 1.762 0.078 4.159 1.00 13.20 O ATOM 1138 CB LEU A 69 2.177 -2.992 2.873 1.00 50.14 C ATOM 1139 CG LEU A 69 2.813 -2.216 1.705 1.00 43.34 C ATOM 1140 CD1 LEU A 69 4.320 -2.091 1.903 1.00 20.33 C ATOM 1141 CD2 LEU A 69 2.495 -2.889 0.370 1.00 20.23 C ATOM 0 H LEU A 69 1.624 -4.168 4.972 1.00 12.21 H new ATOM 0 HA LEU A 69 3.254 -1.960 4.431 1.00 3.43 H new ATOM 0 HB2 LEU A 69 2.674 -3.958 2.957 1.00 50.14 H new ATOM 0 HB3 LEU A 69 1.133 -3.191 2.629 1.00 50.14 H new ATOM 0 HG LEU A 69 2.386 -1.213 1.688 1.00 43.34 H new ATOM 0 HD11 LEU A 69 4.752 -1.540 1.068 1.00 20.33 H new ATOM 0 HD12 LEU A 69 4.522 -1.559 2.832 1.00 20.33 H new ATOM 0 HD13 LEU A 69 4.764 -3.085 1.950 1.00 20.33 H new ATOM 0 HD21 LEU A 69 2.954 -2.324 -0.441 1.00 20.23 H new ATOM 0 HD22 LEU A 69 2.889 -3.905 0.372 1.00 20.23 H new ATOM 0 HD23 LEU A 69 1.415 -2.918 0.225 1.00 20.23 H new ATOM 1153 N TYR A 70 0.002 -1.319 4.354 1.00 42.24 N ATOM 1154 CA TYR A 70 -1.003 -0.254 4.455 1.00 33.52 C ATOM 1155 C TYR A 70 -0.733 0.637 5.677 1.00 61.22 C ATOM 1156 O TYR A 70 -0.724 1.864 5.576 1.00 21.01 O ATOM 1157 CB TYR A 70 -2.405 -0.871 4.545 1.00 12.20 C ATOM 1158 CG TYR A 70 -3.541 0.138 4.509 1.00 63.15 C ATOM 1159 CD1 TYR A 70 -3.979 0.680 3.303 1.00 20.44 C ATOM 1160 CD2 TYR A 70 -4.186 0.536 5.677 1.00 61.34 C ATOM 1161 CE1 TYR A 70 -5.021 1.588 3.265 1.00 24.01 C ATOM 1162 CE2 TYR A 70 -5.226 1.444 5.645 1.00 55.25 C ATOM 1163 CZ TYR A 70 -5.641 1.967 4.437 1.00 23.51 C ATOM 1164 OH TYR A 70 -6.683 2.865 4.402 1.00 22.53 O ATOM 0 H TYR A 70 -0.388 -2.261 4.375 1.00 42.24 H new ATOM 0 HA TYR A 70 -0.942 0.369 3.562 1.00 33.52 H new ATOM 0 HB2 TYR A 70 -2.533 -1.573 3.721 1.00 12.20 H new ATOM 0 HB3 TYR A 70 -2.476 -1.447 5.468 1.00 12.20 H new ATOM 0 HD1 TYR A 70 -3.497 0.386 2.382 1.00 20.44 H new ATOM 0 HD2 TYR A 70 -3.867 0.127 6.625 1.00 61.34 H new ATOM 0 HE1 TYR A 70 -5.348 1.999 2.321 1.00 24.01 H new ATOM 0 HE2 TYR A 70 -5.713 1.744 6.561 1.00 55.25 H new ATOM 0 HH TYR A 70 -7.495 2.412 4.092 1.00 22.53 H new ATOM 1174 N VAL A 71 -0.504 0.002 6.827 1.00 71.21 N ATOM 1175 CA VAL A 71 -0.184 0.716 8.070 1.00 52.13 C ATOM 1176 C VAL A 71 1.027 1.653 7.893 1.00 51.54 C ATOM 1177 O VAL A 71 0.962 2.837 8.235 1.00 15.04 O ATOM 1178 CB VAL A 71 0.103 -0.284 9.223 1.00 75.21 C ATOM 1179 CG1 VAL A 71 0.537 0.441 10.496 1.00 4.41 C ATOM 1180 CG2 VAL A 71 -1.120 -1.160 9.494 1.00 21.24 C ATOM 0 H VAL A 71 -0.534 -1.013 6.926 1.00 71.21 H new ATOM 0 HA VAL A 71 -1.055 1.320 8.323 1.00 52.13 H new ATOM 0 HB VAL A 71 0.927 -0.925 8.908 1.00 75.21 H new ATOM 0 HG11 VAL A 71 0.730 -0.289 11.283 1.00 4.41 H new ATOM 0 HG12 VAL A 71 1.445 1.010 10.299 1.00 4.41 H new ATOM 0 HG13 VAL A 71 -0.254 1.119 10.816 1.00 4.41 H new ATOM 0 HG21 VAL A 71 -0.898 -1.854 10.305 1.00 21.24 H new ATOM 0 HG22 VAL A 71 -1.964 -0.530 9.776 1.00 21.24 H new ATOM 0 HG23 VAL A 71 -1.371 -1.722 8.595 1.00 21.24 H new ATOM 1190 N LEU A 72 2.114 1.116 7.336 1.00 74.12 N ATOM 1191 CA LEU A 72 3.353 1.881 7.131 1.00 63.11 C ATOM 1192 C LEU A 72 3.161 3.088 6.194 1.00 1.04 C ATOM 1193 O LEU A 72 3.604 4.192 6.498 1.00 63.04 O ATOM 1194 CB LEU A 72 4.466 0.960 6.590 1.00 14.24 C ATOM 1195 CG LEU A 72 5.338 0.273 7.656 1.00 63.15 C ATOM 1196 CD1 LEU A 72 6.136 1.312 8.439 1.00 41.43 C ATOM 1197 CD2 LEU A 72 4.488 -0.579 8.600 1.00 3.42 C ATOM 0 H LEU A 72 2.165 0.149 7.016 1.00 74.12 H new ATOM 0 HA LEU A 72 3.645 2.277 8.104 1.00 63.11 H new ATOM 0 HB2 LEU A 72 4.006 0.190 5.971 1.00 14.24 H new ATOM 0 HB3 LEU A 72 5.114 1.547 5.939 1.00 14.24 H new ATOM 0 HG LEU A 72 6.036 -0.391 7.146 1.00 63.15 H new ATOM 0 HD11 LEU A 72 6.748 0.811 9.189 1.00 41.43 H new ATOM 0 HD12 LEU A 72 6.780 1.866 7.756 1.00 41.43 H new ATOM 0 HD13 LEU A 72 5.451 2.002 8.931 1.00 41.43 H new ATOM 0 HD21 LEU A 72 5.131 -1.052 9.342 1.00 3.42 H new ATOM 0 HD22 LEU A 72 3.758 0.054 9.104 1.00 3.42 H new ATOM 0 HD23 LEU A 72 3.968 -1.348 8.028 1.00 3.42 H new ATOM 1209 N VAL A 73 2.512 2.880 5.057 1.00 25.41 N ATOM 1210 CA VAL A 73 2.324 3.958 4.079 1.00 54.41 C ATOM 1211 C VAL A 73 1.373 5.054 4.601 1.00 1.43 C ATOM 1212 O VAL A 73 1.642 6.252 4.449 1.00 60.24 O ATOM 1213 CB VAL A 73 1.800 3.399 2.732 1.00 61.34 C ATOM 1214 CG1 VAL A 73 1.559 4.525 1.729 1.00 53.14 C ATOM 1215 CG2 VAL A 73 2.781 2.375 2.161 1.00 43.24 C ATOM 0 H VAL A 73 2.107 1.984 4.784 1.00 25.41 H new ATOM 0 HA VAL A 73 3.302 4.413 3.919 1.00 54.41 H new ATOM 0 HB VAL A 73 0.848 2.903 2.919 1.00 61.34 H new ATOM 0 HG11 VAL A 73 1.192 4.106 0.792 1.00 53.14 H new ATOM 0 HG12 VAL A 73 0.820 5.218 2.131 1.00 53.14 H new ATOM 0 HG13 VAL A 73 2.493 5.056 1.547 1.00 53.14 H new ATOM 0 HG21 VAL A 73 2.398 1.992 1.215 1.00 43.24 H new ATOM 0 HG22 VAL A 73 3.748 2.850 1.995 1.00 43.24 H new ATOM 0 HG23 VAL A 73 2.898 1.551 2.865 1.00 43.24 H new ATOM 1225 N THR A 74 0.275 4.645 5.237 1.00 71.34 N ATOM 1226 CA THR A 74 -0.729 5.599 5.741 1.00 12.12 C ATOM 1227 C THR A 74 -0.209 6.433 6.923 1.00 31.32 C ATOM 1228 O THR A 74 -0.595 7.595 7.077 1.00 31.41 O ATOM 1229 CB THR A 74 -2.046 4.897 6.159 1.00 75.02 C ATOM 1230 OG1 THR A 74 -1.788 3.899 7.160 1.00 22.41 O ATOM 1231 CG2 THR A 74 -2.724 4.249 4.958 1.00 41.02 C ATOM 0 H THR A 74 0.053 3.666 5.418 1.00 71.34 H new ATOM 0 HA THR A 74 -0.933 6.268 4.905 1.00 12.12 H new ATOM 0 HB THR A 74 -2.711 5.656 6.570 1.00 75.02 H new ATOM 0 HG1 THR A 74 -1.403 3.103 6.737 1.00 22.41 H new ATOM 0 HG21 THR A 74 -3.646 3.763 5.279 1.00 41.02 H new ATOM 0 HG22 THR A 74 -2.955 5.012 4.215 1.00 41.02 H new ATOM 0 HG23 THR A 74 -2.056 3.507 4.520 1.00 41.02 H new ATOM 1239 N GLU A 75 0.665 5.857 7.755 1.00 35.31 N ATOM 1240 CA GLU A 75 1.224 6.598 8.898 1.00 52.15 C ATOM 1241 C GLU A 75 2.181 7.710 8.437 1.00 51.42 C ATOM 1242 O GLU A 75 2.314 8.742 9.101 1.00 65.34 O ATOM 1243 CB GLU A 75 1.956 5.659 9.877 1.00 23.52 C ATOM 1244 CG GLU A 75 3.217 5.016 9.305 1.00 31.12 C ATOM 1245 CD GLU A 75 4.014 4.234 10.337 1.00 65.33 C ATOM 1246 OE1 GLU A 75 3.635 3.088 10.649 1.00 51.02 O ATOM 1247 OE2 GLU A 75 5.024 4.770 10.847 1.00 53.01 O ATOM 0 H GLU A 75 0.998 4.897 7.664 1.00 35.31 H new ATOM 0 HA GLU A 75 0.381 7.055 9.416 1.00 52.15 H new ATOM 0 HB2 GLU A 75 2.223 6.222 10.771 1.00 23.52 H new ATOM 0 HB3 GLU A 75 1.270 4.872 10.189 1.00 23.52 H new ATOM 0 HG2 GLU A 75 2.938 4.349 8.489 1.00 31.12 H new ATOM 0 HG3 GLU A 75 3.851 5.793 8.879 1.00 31.12 H new ATOM 1254 N LYS A 76 2.845 7.499 7.297 1.00 41.31 N ATOM 1255 CA LYS A 76 3.803 8.482 6.770 1.00 3.40 C ATOM 1256 C LYS A 76 3.090 9.676 6.112 1.00 4.33 C ATOM 1257 O LYS A 76 3.674 10.747 5.965 1.00 4.54 O ATOM 1258 CB LYS A 76 4.759 7.826 5.758 1.00 54.53 C ATOM 1259 CG LYS A 76 5.482 6.583 6.282 1.00 11.50 C ATOM 1260 CD LYS A 76 6.255 6.851 7.575 1.00 22.54 C ATOM 1261 CE LYS A 76 6.926 5.582 8.101 1.00 43.32 C ATOM 1262 NZ LYS A 76 7.582 5.797 9.417 1.00 34.52 N ATOM 0 H LYS A 76 2.740 6.663 6.723 1.00 41.31 H new ATOM 0 HA LYS A 76 4.379 8.854 7.618 1.00 3.40 H new ATOM 0 HB2 LYS A 76 4.193 7.553 4.867 1.00 54.53 H new ATOM 0 HB3 LYS A 76 5.503 8.561 5.451 1.00 54.53 H new ATOM 0 HG2 LYS A 76 4.754 5.791 6.456 1.00 11.50 H new ATOM 0 HG3 LYS A 76 6.172 6.220 5.520 1.00 11.50 H new ATOM 0 HD2 LYS A 76 7.011 7.616 7.396 1.00 22.54 H new ATOM 0 HD3 LYS A 76 5.576 7.245 8.331 1.00 22.54 H new ATOM 0 HE2 LYS A 76 6.182 4.791 8.193 1.00 43.32 H new ATOM 0 HE3 LYS A 76 7.667 5.239 7.379 1.00 43.32 H new ATOM 0 HZ1 LYS A 76 8.439 5.211 9.478 1.00 34.52 H new ATOM 0 HZ2 LYS A 76 7.841 6.799 9.516 1.00 34.52 H new ATOM 0 HZ3 LYS A 76 6.926 5.532 10.179 1.00 34.52 H new ATOM 1276 N GLY A 77 1.825 9.491 5.719 1.00 61.54 N ATOM 1277 CA GLY A 77 1.064 10.578 5.102 1.00 45.11 C ATOM 1278 C GLY A 77 0.246 10.149 3.883 1.00 11.24 C ATOM 1279 O GLY A 77 -0.632 10.884 3.433 1.00 73.15 O ATOM 0 H GLY A 77 1.315 8.613 5.816 1.00 61.54 H new ATOM 0 HA2 GLY A 77 0.392 11.005 5.846 1.00 45.11 H new ATOM 0 HA3 GLY A 77 1.754 11.368 4.805 1.00 45.11 H new ATOM 1283 N GLY A 78 0.538 8.969 3.337 1.00 74.22 N ATOM 1284 CA GLY A 78 -0.194 8.476 2.168 1.00 50.25 C ATOM 1285 C GLY A 78 0.725 7.961 1.067 1.00 22.22 C ATOM 1286 O GLY A 78 1.935 8.199 1.101 1.00 74.45 O ATOM 0 H GLY A 78 1.267 8.342 3.679 1.00 74.22 H new ATOM 0 HA2 GLY A 78 -0.866 7.676 2.477 1.00 50.25 H new ATOM 0 HA3 GLY A 78 -0.816 9.278 1.770 1.00 50.25 H new ATOM 1290 N LEU A 79 0.154 7.267 0.079 1.00 60.31 N ATOM 1291 CA LEU A 79 0.942 6.666 -1.008 1.00 12.20 C ATOM 1292 C LEU A 79 1.850 7.693 -1.706 1.00 22.41 C ATOM 1293 O LEU A 79 3.071 7.527 -1.756 1.00 73.34 O ATOM 1294 CB LEU A 79 0.014 6.004 -2.039 1.00 45.44 C ATOM 1295 CG LEU A 79 0.718 5.400 -3.271 1.00 55.51 C ATOM 1296 CD1 LEU A 79 1.775 4.379 -2.856 1.00 75.52 C ATOM 1297 CD2 LEU A 79 -0.300 4.766 -4.219 1.00 51.44 C ATOM 0 H LEU A 79 -0.851 7.106 0.007 1.00 60.31 H new ATOM 0 HA LEU A 79 1.585 5.910 -0.557 1.00 12.20 H new ATOM 0 HB2 LEU A 79 -0.550 5.215 -1.541 1.00 45.44 H new ATOM 0 HB3 LEU A 79 -0.708 6.745 -2.381 1.00 45.44 H new ATOM 0 HG LEU A 79 1.222 6.210 -3.799 1.00 55.51 H new ATOM 0 HD11 LEU A 79 2.255 3.970 -3.745 1.00 75.52 H new ATOM 0 HD12 LEU A 79 2.524 4.865 -2.230 1.00 75.52 H new ATOM 0 HD13 LEU A 79 1.302 3.573 -2.296 1.00 75.52 H new ATOM 0 HD21 LEU A 79 0.218 4.346 -5.081 1.00 51.44 H new ATOM 0 HD22 LEU A 79 -0.838 3.974 -3.698 1.00 51.44 H new ATOM 0 HD23 LEU A 79 -1.007 5.525 -4.555 1.00 51.44 H new ATOM 1309 N VAL A 80 1.253 8.756 -2.232 1.00 30.33 N ATOM 1310 CA VAL A 80 2.008 9.771 -2.973 1.00 14.31 C ATOM 1311 C VAL A 80 3.037 10.481 -2.080 1.00 54.23 C ATOM 1312 O VAL A 80 4.147 10.781 -2.521 1.00 15.53 O ATOM 1313 CB VAL A 80 1.062 10.807 -3.620 1.00 42.13 C ATOM 1314 CG1 VAL A 80 1.845 11.890 -4.350 1.00 51.30 C ATOM 1315 CG2 VAL A 80 0.100 10.112 -4.575 1.00 64.21 C ATOM 0 H VAL A 80 0.252 8.941 -2.162 1.00 30.33 H new ATOM 0 HA VAL A 80 2.549 9.250 -3.763 1.00 14.31 H new ATOM 0 HB VAL A 80 0.490 11.287 -2.826 1.00 42.13 H new ATOM 0 HG11 VAL A 80 1.151 12.604 -4.794 1.00 51.30 H new ATOM 0 HG12 VAL A 80 2.495 12.407 -3.644 1.00 51.30 H new ATOM 0 HG13 VAL A 80 2.450 11.435 -5.135 1.00 51.30 H new ATOM 0 HG21 VAL A 80 -0.562 10.851 -5.026 1.00 64.21 H new ATOM 0 HG22 VAL A 80 0.666 9.607 -5.358 1.00 64.21 H new ATOM 0 HG23 VAL A 80 -0.493 9.380 -4.026 1.00 64.21 H new ATOM 1325 N GLU A 81 2.675 10.733 -0.823 1.00 22.43 N ATOM 1326 CA GLU A 81 3.608 11.324 0.144 1.00 14.22 C ATOM 1327 C GLU A 81 4.891 10.479 0.241 1.00 31.12 C ATOM 1328 O GLU A 81 6.003 10.989 0.093 1.00 33.10 O ATOM 1329 CB GLU A 81 2.944 11.434 1.526 1.00 1.04 C ATOM 1330 CG GLU A 81 3.841 12.041 2.606 1.00 11.41 C ATOM 1331 CD GLU A 81 4.110 13.528 2.403 1.00 4.45 C ATOM 1332 OE1 GLU A 81 4.910 13.885 1.515 1.00 41.24 O ATOM 1333 OE2 GLU A 81 3.534 14.350 3.148 1.00 73.03 O ATOM 0 H GLU A 81 1.746 10.539 -0.448 1.00 22.43 H new ATOM 0 HA GLU A 81 3.874 12.323 -0.200 1.00 14.22 H new ATOM 0 HB2 GLU A 81 2.042 12.039 1.436 1.00 1.04 H new ATOM 0 HB3 GLU A 81 2.630 10.440 1.846 1.00 1.04 H new ATOM 0 HG2 GLU A 81 3.375 11.893 3.580 1.00 11.41 H new ATOM 0 HG3 GLU A 81 4.791 11.506 2.622 1.00 11.41 H new ATOM 1340 N VAL A 82 4.719 9.175 0.463 1.00 14.11 N ATOM 1341 CA VAL A 82 5.847 8.238 0.547 1.00 14.42 C ATOM 1342 C VAL A 82 6.702 8.259 -0.734 1.00 44.15 C ATOM 1343 O VAL A 82 7.936 8.218 -0.672 1.00 52.12 O ATOM 1344 CB VAL A 82 5.352 6.790 0.811 1.00 71.13 C ATOM 1345 CG1 VAL A 82 6.518 5.801 0.828 1.00 3.20 C ATOM 1346 CG2 VAL A 82 4.570 6.722 2.119 1.00 40.13 C ATOM 0 H VAL A 82 3.805 8.739 0.589 1.00 14.11 H new ATOM 0 HA VAL A 82 6.465 8.565 1.383 1.00 14.42 H new ATOM 0 HB VAL A 82 4.687 6.508 -0.006 1.00 71.13 H new ATOM 0 HG11 VAL A 82 6.140 4.796 1.015 1.00 3.20 H new ATOM 0 HG12 VAL A 82 7.028 5.823 -0.135 1.00 3.20 H new ATOM 0 HG13 VAL A 82 7.218 6.078 1.616 1.00 3.20 H new ATOM 0 HG21 VAL A 82 4.231 5.700 2.288 1.00 40.13 H new ATOM 0 HG22 VAL A 82 5.212 7.032 2.943 1.00 40.13 H new ATOM 0 HG23 VAL A 82 3.707 7.386 2.062 1.00 40.13 H new ATOM 1356 N ILE A 83 6.042 8.329 -1.890 1.00 34.53 N ATOM 1357 CA ILE A 83 6.737 8.359 -3.183 1.00 5.10 C ATOM 1358 C ILE A 83 7.617 9.616 -3.333 1.00 70.23 C ATOM 1359 O ILE A 83 8.753 9.532 -3.800 1.00 64.45 O ATOM 1360 CB ILE A 83 5.734 8.283 -4.365 1.00 3.12 C ATOM 1361 CG1 ILE A 83 4.904 6.990 -4.275 1.00 65.31 C ATOM 1362 CG2 ILE A 83 6.466 8.360 -5.706 1.00 20.33 C ATOM 1363 CD1 ILE A 83 3.853 6.857 -5.359 1.00 74.43 C ATOM 0 H ILE A 83 5.025 8.366 -1.961 1.00 34.53 H new ATOM 0 HA ILE A 83 7.383 7.481 -3.209 1.00 5.10 H new ATOM 0 HB ILE A 83 5.059 9.137 -4.300 1.00 3.12 H new ATOM 0 HG12 ILE A 83 5.577 6.134 -4.328 1.00 65.31 H new ATOM 0 HG13 ILE A 83 4.415 6.951 -3.302 1.00 65.31 H new ATOM 0 HG21 ILE A 83 5.742 8.305 -6.519 1.00 20.33 H new ATOM 0 HG22 ILE A 83 7.012 9.301 -5.769 1.00 20.33 H new ATOM 0 HG23 ILE A 83 7.166 7.529 -5.786 1.00 20.33 H new ATOM 0 HD11 ILE A 83 3.311 5.921 -5.227 1.00 74.43 H new ATOM 0 HD12 ILE A 83 3.156 7.692 -5.294 1.00 74.43 H new ATOM 0 HD13 ILE A 83 4.336 6.862 -6.336 1.00 74.43 H new ATOM 1375 N ASN A 84 7.091 10.776 -2.932 1.00 11.53 N ATOM 1376 CA ASN A 84 7.868 12.027 -2.968 1.00 2.25 C ATOM 1377 C ASN A 84 8.980 12.027 -1.906 1.00 31.04 C ATOM 1378 O ASN A 84 10.105 12.451 -2.168 1.00 54.05 O ATOM 1379 CB ASN A 84 6.955 13.246 -2.766 1.00 22.44 C ATOM 1380 CG ASN A 84 6.093 13.544 -3.982 1.00 54.34 C ATOM 1381 OD1 ASN A 84 6.489 14.288 -4.873 1.00 42.02 O ATOM 1382 ND2 ASN A 84 4.909 12.976 -4.029 1.00 1.41 N ATOM 0 H ASN A 84 6.139 10.880 -2.581 1.00 11.53 H new ATOM 0 HA ASN A 84 8.331 12.092 -3.952 1.00 2.25 H new ATOM 0 HB2 ASN A 84 6.311 13.073 -1.904 1.00 22.44 H new ATOM 0 HB3 ASN A 84 7.567 14.119 -2.537 1.00 22.44 H new ATOM 0 HD21 ASN A 84 4.291 13.149 -4.822 1.00 1.41 H new ATOM 0 HD22 ASN A 84 4.608 12.362 -3.272 1.00 1.41 H new ATOM 1389 N LYS A 85 8.656 11.545 -0.708 1.00 62.23 N ATOM 1390 CA LYS A 85 9.624 11.477 0.395 1.00 21.21 C ATOM 1391 C LYS A 85 10.687 10.390 0.159 1.00 15.52 C ATOM 1392 O LYS A 85 11.721 10.368 0.830 1.00 33.10 O ATOM 1393 CB LYS A 85 8.891 11.210 1.721 1.00 70.25 C ATOM 1394 CG LYS A 85 7.954 12.335 2.173 1.00 25.22 C ATOM 1395 CD LYS A 85 8.638 13.362 3.079 1.00 41.13 C ATOM 1396 CE LYS A 85 9.833 14.036 2.416 1.00 14.43 C ATOM 1397 NZ LYS A 85 10.282 15.236 3.170 1.00 44.34 N ATOM 0 H LYS A 85 7.728 11.194 -0.472 1.00 62.23 H new ATOM 0 HA LYS A 85 10.136 12.438 0.444 1.00 21.21 H new ATOM 0 HB2 LYS A 85 8.312 10.292 1.622 1.00 70.25 H new ATOM 0 HB3 LYS A 85 9.632 11.037 2.502 1.00 70.25 H new ATOM 0 HG2 LYS A 85 7.556 12.843 1.294 1.00 25.22 H new ATOM 0 HG3 LYS A 85 7.105 11.902 2.702 1.00 25.22 H new ATOM 0 HD2 LYS A 85 7.913 14.123 3.369 1.00 41.13 H new ATOM 0 HD3 LYS A 85 8.967 12.870 3.994 1.00 41.13 H new ATOM 0 HE2 LYS A 85 10.656 13.325 2.342 1.00 14.43 H new ATOM 0 HE3 LYS A 85 9.569 14.324 1.399 1.00 14.43 H new ATOM 0 HZ1 LYS A 85 11.096 15.665 2.686 1.00 44.34 H new ATOM 0 HZ2 LYS A 85 9.505 15.926 3.219 1.00 44.34 H new ATOM 0 HZ3 LYS A 85 10.559 14.957 4.133 1.00 44.34 H new ATOM 1411 N LYS A 86 10.407 9.471 -0.774 1.00 40.21 N ATOM 1412 CA LYS A 86 11.367 8.428 -1.180 1.00 35.14 C ATOM 1413 C LYS A 86 11.773 7.503 -0.015 1.00 74.31 C ATOM 1414 O LYS A 86 12.697 6.695 -0.147 1.00 32.04 O ATOM 1415 CB LYS A 86 12.625 9.082 -1.787 1.00 5.10 C ATOM 1416 CG LYS A 86 12.356 9.906 -3.047 1.00 4.35 C ATOM 1417 CD LYS A 86 11.915 9.033 -4.222 1.00 43.42 C ATOM 1418 CE LYS A 86 12.980 8.006 -4.591 1.00 74.31 C ATOM 1419 NZ LYS A 86 12.610 7.224 -5.798 1.00 43.42 N ATOM 0 H LYS A 86 9.516 9.426 -1.268 1.00 40.21 H new ATOM 0 HA LYS A 86 10.867 7.808 -1.924 1.00 35.14 H new ATOM 0 HB2 LYS A 86 13.085 9.725 -1.037 1.00 5.10 H new ATOM 0 HB3 LYS A 86 13.348 8.302 -2.024 1.00 5.10 H new ATOM 0 HG2 LYS A 86 11.585 10.647 -2.837 1.00 4.35 H new ATOM 0 HG3 LYS A 86 13.258 10.453 -3.321 1.00 4.35 H new ATOM 0 HD2 LYS A 86 10.988 8.520 -3.967 1.00 43.42 H new ATOM 0 HD3 LYS A 86 11.703 9.664 -5.085 1.00 43.42 H new ATOM 0 HE2 LYS A 86 13.928 8.515 -4.766 1.00 74.31 H new ATOM 0 HE3 LYS A 86 13.133 7.326 -3.753 1.00 74.31 H new ATOM 0 HZ1 LYS A 86 13.362 6.539 -6.012 1.00 43.42 H new ATOM 0 HZ2 LYS A 86 11.719 6.717 -5.623 1.00 43.42 H new ATOM 0 HZ3 LYS A 86 12.489 7.868 -6.605 1.00 43.42 H new ATOM 1433 N LEU A 87 11.058 7.585 1.108 1.00 60.04 N ATOM 1434 CA LEU A 87 11.447 6.855 2.324 1.00 60.23 C ATOM 1435 C LEU A 87 10.905 5.411 2.330 1.00 75.12 C ATOM 1436 O LEU A 87 10.633 4.840 3.388 1.00 20.44 O ATOM 1437 CB LEU A 87 10.993 7.627 3.586 1.00 71.14 C ATOM 1438 CG LEU A 87 9.526 7.448 4.028 1.00 34.44 C ATOM 1439 CD1 LEU A 87 9.256 8.221 5.317 1.00 43.01 C ATOM 1440 CD2 LEU A 87 8.560 7.881 2.934 1.00 43.42 C ATOM 0 H LEU A 87 10.211 8.145 1.205 1.00 60.04 H new ATOM 0 HA LEU A 87 12.535 6.784 2.333 1.00 60.23 H new ATOM 0 HB2 LEU A 87 11.635 7.328 4.415 1.00 71.14 H new ATOM 0 HB3 LEU A 87 11.168 8.689 3.414 1.00 71.14 H new ATOM 0 HG LEU A 87 9.363 6.387 4.217 1.00 34.44 H new ATOM 0 HD11 LEU A 87 8.216 8.083 5.613 1.00 43.01 H new ATOM 0 HD12 LEU A 87 9.910 7.852 6.107 1.00 43.01 H new ATOM 0 HD13 LEU A 87 9.448 9.281 5.153 1.00 43.01 H new ATOM 0 HD21 LEU A 87 7.535 7.742 3.278 1.00 43.42 H new ATOM 0 HD22 LEU A 87 8.724 8.933 2.699 1.00 43.42 H new ATOM 0 HD23 LEU A 87 8.728 7.279 2.041 1.00 43.42 H new ATOM 1452 N TRP A 88 10.800 4.800 1.145 1.00 71.24 N ATOM 1453 CA TRP A 88 10.359 3.398 1.033 1.00 41.55 C ATOM 1454 C TRP A 88 11.212 2.464 1.907 1.00 53.53 C ATOM 1455 O TRP A 88 10.781 1.367 2.257 1.00 4.41 O ATOM 1456 CB TRP A 88 10.385 2.924 -0.427 1.00 23.03 C ATOM 1457 CG TRP A 88 9.256 3.480 -1.258 1.00 11.31 C ATOM 1458 CD1 TRP A 88 9.330 4.459 -2.211 1.00 31.10 C ATOM 1459 CD2 TRP A 88 7.880 3.084 -1.199 1.00 5.03 C ATOM 1460 NE1 TRP A 88 8.086 4.690 -2.745 1.00 65.51 N ATOM 1461 CE2 TRP A 88 7.179 3.860 -2.140 1.00 73.32 C ATOM 1462 CE3 TRP A 88 7.173 2.144 -0.442 1.00 34.13 C ATOM 1463 CZ2 TRP A 88 5.807 3.728 -2.339 1.00 13.53 C ATOM 1464 CZ3 TRP A 88 5.812 2.015 -0.640 1.00 71.12 C ATOM 1465 CH2 TRP A 88 5.142 2.802 -1.583 1.00 25.51 C ATOM 0 H TRP A 88 11.012 5.247 0.253 1.00 71.24 H new ATOM 0 HA TRP A 88 9.332 3.357 1.395 1.00 41.55 H new ATOM 0 HB2 TRP A 88 11.334 3.213 -0.878 1.00 23.03 H new ATOM 0 HB3 TRP A 88 10.340 1.835 -0.448 1.00 23.03 H new ATOM 0 HD1 TRP A 88 10.234 4.974 -2.501 1.00 31.10 H new ATOM 0 HE1 TRP A 88 7.872 5.370 -3.475 1.00 65.51 H new ATOM 0 HE3 TRP A 88 7.683 1.529 0.285 1.00 34.13 H new ATOM 0 HZ2 TRP A 88 5.286 4.335 -3.065 1.00 13.53 H new ATOM 0 HZ3 TRP A 88 5.256 1.295 -0.058 1.00 71.12 H new ATOM 0 HH2 TRP A 88 4.078 2.676 -1.717 1.00 25.51 H new ATOM 1476 N ARG A 89 12.420 2.906 2.260 1.00 24.34 N ATOM 1477 CA ARG A 89 13.258 2.176 3.216 1.00 73.13 C ATOM 1478 C ARG A 89 12.515 1.975 4.544 1.00 64.35 C ATOM 1479 O ARG A 89 12.516 0.883 5.102 1.00 12.10 O ATOM 1480 CB ARG A 89 14.581 2.915 3.458 1.00 73.12 C ATOM 1481 CG ARG A 89 15.470 2.991 2.222 1.00 15.41 C ATOM 1482 CD ARG A 89 16.878 3.466 2.563 1.00 1.12 C ATOM 1483 NE ARG A 89 17.808 3.261 1.452 1.00 4.34 N ATOM 1484 CZ ARG A 89 18.806 4.054 1.171 1.00 70.31 C ATOM 1485 NH1 ARG A 89 19.025 5.124 1.867 1.00 4.04 N ATOM 1486 NH2 ARG A 89 19.589 3.769 0.184 1.00 11.10 N ATOM 0 H ARG A 89 12.840 3.763 1.900 1.00 24.34 H new ATOM 0 HA ARG A 89 13.481 1.198 2.789 1.00 73.13 H new ATOM 0 HB2 ARG A 89 14.365 3.926 3.803 1.00 73.12 H new ATOM 0 HB3 ARG A 89 15.127 2.414 4.258 1.00 73.12 H new ATOM 0 HG2 ARG A 89 15.522 2.009 1.751 1.00 15.41 H new ATOM 0 HG3 ARG A 89 15.024 3.670 1.495 1.00 15.41 H new ATOM 0 HD2 ARG A 89 16.851 4.524 2.823 1.00 1.12 H new ATOM 0 HD3 ARG A 89 17.239 2.931 3.442 1.00 1.12 H new ATOM 0 HE ARG A 89 17.667 2.444 0.858 1.00 4.34 H new ATOM 0 HH11 ARG A 89 18.413 5.358 2.649 1.00 4.04 H new ATOM 0 HH12 ARG A 89 19.810 5.733 1.634 1.00 4.04 H new ATOM 0 HH21 ARG A 89 19.426 2.929 -0.370 1.00 11.10 H new ATOM 0 HH22 ARG A 89 20.371 4.384 -0.041 1.00 11.10 H new ATOM 1500 N GLU A 90 11.864 3.035 5.025 1.00 64.24 N ATOM 1501 CA GLU A 90 11.052 2.971 6.250 1.00 53.33 C ATOM 1502 C GLU A 90 9.884 1.986 6.097 1.00 63.03 C ATOM 1503 O GLU A 90 9.574 1.223 7.014 1.00 42.52 O ATOM 1504 CB GLU A 90 10.504 4.364 6.597 1.00 43.34 C ATOM 1505 CG GLU A 90 11.576 5.371 6.986 1.00 14.33 C ATOM 1506 CD GLU A 90 12.262 5.013 8.293 1.00 42.42 C ATOM 1507 OE1 GLU A 90 11.684 5.295 9.367 1.00 61.32 O ATOM 1508 OE2 GLU A 90 13.375 4.443 8.256 1.00 23.13 O ATOM 0 H GLU A 90 11.881 3.955 4.585 1.00 64.24 H new ATOM 0 HA GLU A 90 11.697 2.619 7.056 1.00 53.33 H new ATOM 0 HB2 GLU A 90 9.951 4.750 5.740 1.00 43.34 H new ATOM 0 HB3 GLU A 90 9.794 4.270 7.418 1.00 43.34 H new ATOM 0 HG2 GLU A 90 12.321 5.429 6.192 1.00 14.33 H new ATOM 0 HG3 GLU A 90 11.126 6.360 7.074 1.00 14.33 H new ATOM 1515 N ILE A 91 9.245 2.014 4.931 1.00 54.41 N ATOM 1516 CA ILE A 91 8.102 1.138 4.651 1.00 35.22 C ATOM 1517 C ILE A 91 8.532 -0.338 4.631 1.00 24.03 C ATOM 1518 O ILE A 91 7.981 -1.173 5.351 1.00 75.21 O ATOM 1519 CB ILE A 91 7.447 1.500 3.293 1.00 11.35 C ATOM 1520 CG1 ILE A 91 7.146 3.008 3.219 1.00 15.44 C ATOM 1521 CG2 ILE A 91 6.172 0.686 3.073 1.00 34.44 C ATOM 1522 CD1 ILE A 91 6.211 3.508 4.300 1.00 65.14 C ATOM 0 H ILE A 91 9.497 2.634 4.161 1.00 54.41 H new ATOM 0 HA ILE A 91 7.374 1.286 5.449 1.00 35.22 H new ATOM 0 HB ILE A 91 8.152 1.252 2.499 1.00 11.35 H new ATOM 0 HG12 ILE A 91 8.085 3.558 3.283 1.00 15.44 H new ATOM 0 HG13 ILE A 91 6.711 3.233 2.245 1.00 15.44 H new ATOM 0 HG21 ILE A 91 5.729 0.956 2.114 1.00 34.44 H new ATOM 0 HG22 ILE A 91 6.414 -0.377 3.074 1.00 34.44 H new ATOM 0 HG23 ILE A 91 5.463 0.898 3.873 1.00 34.44 H new ATOM 0 HD11 ILE A 91 6.051 4.579 4.176 1.00 65.14 H new ATOM 0 HD12 ILE A 91 5.256 2.988 4.225 1.00 65.14 H new ATOM 0 HD13 ILE A 91 6.652 3.318 5.279 1.00 65.14 H new ATOM 1534 N THR A 92 9.536 -0.641 3.813 1.00 53.25 N ATOM 1535 CA THR A 92 10.100 -1.997 3.723 1.00 24.11 C ATOM 1536 C THR A 92 10.665 -2.443 5.083 1.00 42.01 C ATOM 1537 O THR A 92 10.550 -3.608 5.473 1.00 13.51 O ATOM 1538 CB THR A 92 11.228 -2.064 2.657 1.00 11.21 C ATOM 1539 OG1 THR A 92 10.900 -1.231 1.534 1.00 2.43 O ATOM 1540 CG2 THR A 92 11.446 -3.487 2.161 1.00 15.21 C ATOM 0 H THR A 92 9.983 0.036 3.195 1.00 53.25 H new ATOM 0 HA THR A 92 9.292 -2.667 3.429 1.00 24.11 H new ATOM 0 HB THR A 92 12.144 -1.713 3.133 1.00 11.21 H new ATOM 0 HG1 THR A 92 11.166 -0.307 1.723 1.00 2.43 H new ATOM 0 HG21 THR A 92 12.242 -3.495 1.417 1.00 15.21 H new ATOM 0 HG22 THR A 92 11.726 -4.125 2.999 1.00 15.21 H new ATOM 0 HG23 THR A 92 10.526 -3.861 1.712 1.00 15.21 H new ATOM 1548 N LYS A 93 11.265 -1.497 5.808 1.00 63.41 N ATOM 1549 CA LYS A 93 11.803 -1.753 7.150 1.00 41.02 C ATOM 1550 C LYS A 93 10.677 -2.042 8.157 1.00 65.45 C ATOM 1551 O LYS A 93 10.876 -2.758 9.137 1.00 1.05 O ATOM 1552 CB LYS A 93 12.628 -0.548 7.634 1.00 54.30 C ATOM 1553 CG LYS A 93 13.398 -0.799 8.923 1.00 2.42 C ATOM 1554 CD LYS A 93 14.527 -1.803 8.717 1.00 4.12 C ATOM 1555 CE LYS A 93 15.250 -2.118 10.020 1.00 53.15 C ATOM 1556 NZ LYS A 93 15.758 -0.889 10.690 1.00 44.21 N ATOM 0 H LYS A 93 11.392 -0.537 5.486 1.00 63.41 H new ATOM 0 HA LYS A 93 12.445 -2.632 7.087 1.00 41.02 H new ATOM 0 HB2 LYS A 93 13.333 -0.266 6.852 1.00 54.30 H new ATOM 0 HB3 LYS A 93 11.960 0.300 7.782 1.00 54.30 H new ATOM 0 HG2 LYS A 93 13.809 0.141 9.291 1.00 2.42 H new ATOM 0 HG3 LYS A 93 12.716 -1.170 9.688 1.00 2.42 H new ATOM 0 HD2 LYS A 93 14.123 -2.723 8.294 1.00 4.12 H new ATOM 0 HD3 LYS A 93 15.239 -1.406 7.993 1.00 4.12 H new ATOM 0 HE2 LYS A 93 14.572 -2.643 10.693 1.00 53.15 H new ATOM 0 HE3 LYS A 93 16.083 -2.791 9.818 1.00 53.15 H new ATOM 0 HZ1 LYS A 93 16.384 -1.156 11.476 1.00 44.21 H new ATOM 0 HZ2 LYS A 93 16.288 -0.314 10.005 1.00 44.21 H new ATOM 0 HZ3 LYS A 93 14.957 -0.338 11.058 1.00 44.21 H new ATOM 1570 N GLY A 94 9.496 -1.474 7.911 1.00 24.25 N ATOM 1571 CA GLY A 94 8.341 -1.734 8.767 1.00 74.11 C ATOM 1572 C GLY A 94 7.900 -3.194 8.728 1.00 13.45 C ATOM 1573 O GLY A 94 7.198 -3.671 9.621 1.00 14.42 O ATOM 0 H GLY A 94 9.316 -0.838 7.134 1.00 24.25 H new ATOM 0 HA2 GLY A 94 8.585 -1.459 9.793 1.00 74.11 H new ATOM 0 HA3 GLY A 94 7.512 -1.099 8.455 1.00 74.11 H new ATOM 1577 N LEU A 95 8.316 -3.902 7.681 1.00 32.45 N ATOM 1578 CA LEU A 95 8.066 -5.340 7.558 1.00 62.13 C ATOM 1579 C LEU A 95 9.278 -6.141 8.076 1.00 2.22 C ATOM 1580 O LEU A 95 9.309 -7.371 7.993 1.00 41.41 O ATOM 1581 CB LEU A 95 7.781 -5.690 6.088 1.00 54.31 C ATOM 1582 CG LEU A 95 6.682 -4.859 5.408 1.00 51.31 C ATOM 1583 CD1 LEU A 95 6.499 -5.289 3.955 1.00 41.32 C ATOM 1584 CD2 LEU A 95 5.368 -4.964 6.174 1.00 55.52 C ATOM 0 H LEU A 95 8.832 -3.501 6.898 1.00 32.45 H new ATOM 0 HA LEU A 95 7.198 -5.604 8.162 1.00 62.13 H new ATOM 0 HB2 LEU A 95 8.704 -5.573 5.520 1.00 54.31 H new ATOM 0 HB3 LEU A 95 7.503 -6.742 6.031 1.00 54.31 H new ATOM 0 HG LEU A 95 6.994 -3.815 5.416 1.00 51.31 H new ATOM 0 HD11 LEU A 95 5.716 -4.687 3.493 1.00 41.32 H new ATOM 0 HD12 LEU A 95 7.434 -5.146 3.413 1.00 41.32 H new ATOM 0 HD13 LEU A 95 6.216 -6.341 3.920 1.00 41.32 H new ATOM 0 HD21 LEU A 95 4.606 -4.367 5.673 1.00 55.52 H new ATOM 0 HD22 LEU A 95 5.049 -6.006 6.208 1.00 55.52 H new ATOM 0 HD23 LEU A 95 5.508 -4.594 7.190 1.00 55.52 H new ATOM 1596 N ASN A 96 10.261 -5.412 8.619 1.00 4.25 N ATOM 1597 CA ASN A 96 11.514 -5.985 9.138 1.00 44.33 C ATOM 1598 C ASN A 96 12.355 -6.619 8.012 1.00 41.41 C ATOM 1599 O ASN A 96 13.203 -7.479 8.249 1.00 13.44 O ATOM 1600 CB ASN A 96 11.212 -6.993 10.262 1.00 41.41 C ATOM 1601 CG ASN A 96 12.429 -7.303 11.120 1.00 3.30 C ATOM 1602 OD1 ASN A 96 13.129 -8.288 10.907 1.00 3.24 O ATOM 1603 ND2 ASN A 96 12.697 -6.457 12.094 1.00 25.33 N ATOM 0 H ASN A 96 10.211 -4.398 8.712 1.00 4.25 H new ATOM 0 HA ASN A 96 12.113 -5.177 9.559 1.00 44.33 H new ATOM 0 HB2 ASN A 96 10.418 -6.597 10.895 1.00 41.41 H new ATOM 0 HB3 ASN A 96 10.838 -7.918 9.823 1.00 41.41 H new ATOM 0 HD21 ASN A 96 13.506 -6.612 12.696 1.00 25.33 H new ATOM 0 HD22 ASN A 96 12.096 -5.647 12.246 1.00 25.33 H new ATOM 1610 N LEU A 97 12.144 -6.145 6.786 1.00 51.35 N ATOM 1611 CA LEU A 97 12.869 -6.649 5.614 1.00 35.51 C ATOM 1612 C LEU A 97 14.219 -5.936 5.438 1.00 40.32 C ATOM 1613 O LEU A 97 14.397 -4.802 5.891 1.00 74.41 O ATOM 1614 CB LEU A 97 12.029 -6.433 4.350 1.00 73.43 C ATOM 1615 CG LEU A 97 10.622 -7.040 4.375 1.00 15.31 C ATOM 1616 CD1 LEU A 97 9.884 -6.722 3.079 1.00 32.43 C ATOM 1617 CD2 LEU A 97 10.683 -8.546 4.617 1.00 44.43 C ATOM 0 H LEU A 97 11.472 -5.407 6.574 1.00 51.35 H new ATOM 0 HA LEU A 97 13.052 -7.712 5.771 1.00 35.51 H new ATOM 0 HB2 LEU A 97 11.939 -5.361 4.175 1.00 73.43 H new ATOM 0 HB3 LEU A 97 12.570 -6.851 3.501 1.00 73.43 H new ATOM 0 HG LEU A 97 10.068 -6.594 5.201 1.00 15.31 H new ATOM 0 HD11 LEU A 97 8.886 -7.160 3.112 1.00 32.43 H new ATOM 0 HD12 LEU A 97 9.803 -5.641 2.962 1.00 32.43 H new ATOM 0 HD13 LEU A 97 10.435 -7.137 2.235 1.00 32.43 H new ATOM 0 HD21 LEU A 97 9.672 -8.954 4.630 1.00 44.43 H new ATOM 0 HD22 LEU A 97 11.255 -9.020 3.819 1.00 44.43 H new ATOM 0 HD23 LEU A 97 11.166 -8.741 5.575 1.00 44.43 H new ATOM 1629 N PRO A 98 15.191 -6.588 4.776 1.00 21.53 N ATOM 1630 CA PRO A 98 16.469 -5.951 4.435 1.00 20.41 C ATOM 1631 C PRO A 98 16.335 -4.968 3.254 1.00 23.41 C ATOM 1632 O PRO A 98 16.109 -5.375 2.114 1.00 34.01 O ATOM 1633 CB PRO A 98 17.362 -7.141 4.060 1.00 1.10 C ATOM 1634 CG PRO A 98 16.417 -8.179 3.552 1.00 74.24 C ATOM 1635 CD PRO A 98 15.134 -7.998 4.326 1.00 21.12 C ATOM 0 HA PRO A 98 16.864 -5.349 5.253 1.00 20.41 H new ATOM 0 HB2 PRO A 98 18.092 -6.864 3.299 1.00 1.10 H new ATOM 0 HB3 PRO A 98 17.922 -7.503 4.922 1.00 1.10 H new ATOM 0 HG2 PRO A 98 16.246 -8.059 2.482 1.00 74.24 H new ATOM 0 HG3 PRO A 98 16.823 -9.180 3.700 1.00 74.24 H new ATOM 0 HD2 PRO A 98 14.260 -8.184 3.702 1.00 21.12 H new ATOM 0 HD3 PRO A 98 15.075 -8.686 5.170 1.00 21.12 H new ATOM 1643 N THR A 99 16.496 -3.672 3.525 1.00 53.32 N ATOM 1644 CA THR A 99 16.361 -2.631 2.485 1.00 13.11 C ATOM 1645 C THR A 99 17.489 -2.700 1.432 1.00 5.41 C ATOM 1646 O THR A 99 17.598 -1.835 0.562 1.00 2.02 O ATOM 1647 CB THR A 99 16.317 -1.212 3.113 1.00 21.41 C ATOM 1648 OG1 THR A 99 16.202 -0.204 2.093 1.00 34.13 O ATOM 1649 CG2 THR A 99 17.553 -0.942 3.966 1.00 32.11 C ATOM 0 H THR A 99 16.720 -3.311 4.452 1.00 53.32 H new ATOM 0 HA THR A 99 15.417 -2.827 1.977 1.00 13.11 H new ATOM 0 HB THR A 99 15.438 -1.170 3.756 1.00 21.41 H new ATOM 0 HG1 THR A 99 16.474 -0.580 1.230 1.00 34.13 H new ATOM 0 HG21 THR A 99 17.490 0.060 4.391 1.00 32.11 H new ATOM 0 HG22 THR A 99 17.607 -1.675 4.771 1.00 32.11 H new ATOM 0 HG23 THR A 99 18.446 -1.018 3.346 1.00 32.11 H new ATOM 1657 N SER A 100 18.315 -3.744 1.506 1.00 32.44 N ATOM 1658 CA SER A 100 19.378 -3.981 0.515 1.00 53.23 C ATOM 1659 C SER A 100 18.826 -4.621 -0.774 1.00 73.35 C ATOM 1660 O SER A 100 19.572 -4.875 -1.722 1.00 4.12 O ATOM 1661 CB SER A 100 20.472 -4.881 1.117 1.00 45.22 C ATOM 1662 OG SER A 100 21.515 -5.152 0.186 1.00 13.44 O ATOM 0 H SER A 100 18.272 -4.446 2.245 1.00 32.44 H new ATOM 0 HA SER A 100 19.804 -3.013 0.252 1.00 53.23 H new ATOM 0 HB2 SER A 100 20.891 -4.400 2.000 1.00 45.22 H new ATOM 0 HB3 SER A 100 20.028 -5.820 1.446 1.00 45.22 H new ATOM 0 HG SER A 100 21.150 -5.152 -0.723 1.00 13.44 H new ATOM 1668 N ILE A 101 17.519 -4.894 -0.795 1.00 54.12 N ATOM 1669 CA ILE A 101 16.852 -5.430 -1.991 1.00 14.00 C ATOM 1670 C ILE A 101 16.889 -4.406 -3.142 1.00 51.41 C ATOM 1671 O ILE A 101 16.526 -3.242 -2.961 1.00 42.41 O ATOM 1672 CB ILE A 101 15.381 -5.820 -1.681 1.00 33.21 C ATOM 1673 CG1 ILE A 101 15.335 -6.872 -0.552 1.00 1.44 C ATOM 1674 CG2 ILE A 101 14.680 -6.346 -2.938 1.00 43.40 C ATOM 1675 CD1 ILE A 101 13.939 -7.174 -0.041 1.00 52.23 C ATOM 0 H ILE A 101 16.898 -4.754 0.002 1.00 54.12 H new ATOM 0 HA ILE A 101 17.393 -6.326 -2.297 1.00 14.00 H new ATOM 0 HB ILE A 101 14.851 -4.928 -1.348 1.00 33.21 H new ATOM 0 HG12 ILE A 101 15.786 -7.796 -0.913 1.00 1.44 H new ATOM 0 HG13 ILE A 101 15.947 -6.523 0.280 1.00 1.44 H new ATOM 0 HG21 ILE A 101 13.651 -6.613 -2.696 1.00 43.40 H new ATOM 0 HG22 ILE A 101 14.683 -5.573 -3.707 1.00 43.40 H new ATOM 0 HG23 ILE A 101 15.206 -7.227 -3.306 1.00 43.40 H new ATOM 0 HD11 ILE A 101 13.995 -7.922 0.750 1.00 52.23 H new ATOM 0 HD12 ILE A 101 13.491 -6.262 0.353 1.00 52.23 H new ATOM 0 HD13 ILE A 101 13.327 -7.555 -0.858 1.00 52.23 H new ATOM 1687 N THR A 102 17.314 -4.860 -4.323 1.00 63.22 N ATOM 1688 CA THR A 102 17.578 -3.979 -5.479 1.00 20.13 C ATOM 1689 C THR A 102 16.466 -2.940 -5.725 1.00 52.00 C ATOM 1690 O THR A 102 16.650 -1.747 -5.468 1.00 14.21 O ATOM 1691 CB THR A 102 17.782 -4.805 -6.777 1.00 74.10 C ATOM 1692 OG1 THR A 102 18.754 -5.838 -6.553 1.00 3.24 O ATOM 1693 CG2 THR A 102 18.239 -3.919 -7.936 1.00 2.54 C ATOM 0 H THR A 102 17.487 -5.847 -4.512 1.00 63.22 H new ATOM 0 HA THR A 102 18.490 -3.439 -5.226 1.00 20.13 H new ATOM 0 HB THR A 102 16.823 -5.250 -7.043 1.00 74.10 H new ATOM 0 HG1 THR A 102 18.876 -6.356 -7.376 1.00 3.24 H new ATOM 0 HG21 THR A 102 18.372 -4.529 -8.830 1.00 2.54 H new ATOM 0 HG22 THR A 102 17.487 -3.154 -8.128 1.00 2.54 H new ATOM 0 HG23 THR A 102 19.184 -3.441 -7.678 1.00 2.54 H new ATOM 1701 N SER A 103 15.314 -3.392 -6.219 1.00 51.42 N ATOM 1702 CA SER A 103 14.211 -2.480 -6.570 1.00 22.42 C ATOM 1703 C SER A 103 12.988 -2.676 -5.660 1.00 71.13 C ATOM 1704 O SER A 103 11.847 -2.627 -6.123 1.00 54.42 O ATOM 1705 CB SER A 103 13.812 -2.679 -8.043 1.00 73.14 C ATOM 1706 OG SER A 103 14.883 -2.345 -8.918 1.00 51.41 O ATOM 0 H SER A 103 15.115 -4.378 -6.387 1.00 51.42 H new ATOM 0 HA SER A 103 14.568 -1.461 -6.422 1.00 22.42 H new ATOM 0 HB2 SER A 103 13.517 -3.716 -8.205 1.00 73.14 H new ATOM 0 HB3 SER A 103 12.945 -2.061 -8.274 1.00 73.14 H new ATOM 0 HG SER A 103 14.602 -2.483 -9.847 1.00 51.41 H new ATOM 1712 N ALA A 104 13.230 -2.854 -4.360 1.00 51.44 N ATOM 1713 CA ALA A 104 12.144 -3.026 -3.381 1.00 72.13 C ATOM 1714 C ALA A 104 11.143 -1.860 -3.437 1.00 51.13 C ATOM 1715 O ALA A 104 9.928 -2.067 -3.494 1.00 4.42 O ATOM 1716 CB ALA A 104 12.722 -3.157 -1.976 1.00 1.44 C ATOM 0 H ALA A 104 14.166 -2.883 -3.956 1.00 51.44 H new ATOM 0 HA ALA A 104 11.605 -3.939 -3.635 1.00 72.13 H new ATOM 0 HB1 ALA A 104 11.911 -3.284 -1.259 1.00 1.44 H new ATOM 0 HB2 ALA A 104 13.382 -4.023 -1.934 1.00 1.44 H new ATOM 0 HB3 ALA A 104 13.287 -2.258 -1.730 1.00 1.44 H new ATOM 1722 N ALA A 105 11.670 -0.633 -3.445 1.00 2.01 N ATOM 1723 CA ALA A 105 10.844 0.578 -3.517 1.00 30.24 C ATOM 1724 C ALA A 105 9.961 0.591 -4.775 1.00 30.30 C ATOM 1725 O ALA A 105 8.815 1.044 -4.746 1.00 44.12 O ATOM 1726 CB ALA A 105 11.738 1.813 -3.491 1.00 41.35 C ATOM 0 H ALA A 105 12.673 -0.450 -3.402 1.00 2.01 H new ATOM 0 HA ALA A 105 10.182 0.586 -2.651 1.00 30.24 H new ATOM 0 HB1 ALA A 105 11.121 2.710 -3.545 1.00 41.35 H new ATOM 0 HB2 ALA A 105 12.316 1.825 -2.567 1.00 41.35 H new ATOM 0 HB3 ALA A 105 12.417 1.788 -4.343 1.00 41.35 H new ATOM 1732 N PHE A 106 10.508 0.082 -5.874 1.00 1.52 N ATOM 1733 CA PHE A 106 9.786 0.015 -7.147 1.00 73.02 C ATOM 1734 C PHE A 106 8.626 -0.992 -7.075 1.00 33.13 C ATOM 1735 O PHE A 106 7.516 -0.711 -7.533 1.00 72.01 O ATOM 1736 CB PHE A 106 10.761 -0.363 -8.274 1.00 61.11 C ATOM 1737 CG PHE A 106 10.114 -0.515 -9.627 1.00 34.41 C ATOM 1738 CD1 PHE A 106 9.485 0.561 -10.235 1.00 35.45 C ATOM 1739 CD2 PHE A 106 10.130 -1.736 -10.290 1.00 11.12 C ATOM 1740 CE1 PHE A 106 8.886 0.427 -11.472 1.00 55.24 C ATOM 1741 CE2 PHE A 106 9.532 -1.876 -11.527 1.00 73.13 C ATOM 1742 CZ PHE A 106 8.910 -0.793 -12.120 1.00 34.04 C ATOM 0 H PHE A 106 11.456 -0.294 -5.912 1.00 1.52 H new ATOM 0 HA PHE A 106 9.359 0.996 -7.357 1.00 73.02 H new ATOM 0 HB2 PHE A 106 11.537 0.400 -8.339 1.00 61.11 H new ATOM 0 HB3 PHE A 106 11.255 -1.299 -8.013 1.00 61.11 H new ATOM 0 HD1 PHE A 106 9.463 1.517 -9.734 1.00 35.45 H new ATOM 0 HD2 PHE A 106 10.616 -2.585 -9.833 1.00 11.12 H new ATOM 0 HE1 PHE A 106 8.400 1.274 -11.932 1.00 55.24 H new ATOM 0 HE2 PHE A 106 9.550 -2.831 -12.031 1.00 73.13 H new ATOM 0 HZ PHE A 106 8.444 -0.900 -13.088 1.00 34.04 H new ATOM 1752 N THR A 107 8.888 -2.158 -6.494 1.00 14.32 N ATOM 1753 CA THR A 107 7.861 -3.198 -6.337 1.00 63.33 C ATOM 1754 C THR A 107 6.709 -2.723 -5.439 1.00 25.05 C ATOM 1755 O THR A 107 5.541 -2.787 -5.825 1.00 33.21 O ATOM 1756 CB THR A 107 8.454 -4.496 -5.736 1.00 65.23 C ATOM 1757 OG1 THR A 107 9.549 -4.964 -6.539 1.00 41.03 O ATOM 1758 CG2 THR A 107 7.396 -5.591 -5.630 1.00 0.12 C ATOM 0 H THR A 107 9.803 -2.413 -6.121 1.00 14.32 H new ATOM 0 HA THR A 107 7.478 -3.404 -7.337 1.00 63.33 H new ATOM 0 HB THR A 107 8.812 -4.262 -4.734 1.00 65.23 H new ATOM 0 HG1 THR A 107 10.298 -4.336 -6.469 1.00 41.03 H new ATOM 0 HG21 THR A 107 7.843 -6.489 -5.205 1.00 0.12 H new ATOM 0 HG22 THR A 107 6.584 -5.251 -4.988 1.00 0.12 H new ATOM 0 HG23 THR A 107 7.004 -5.816 -6.622 1.00 0.12 H new ATOM 1766 N LEU A 108 7.046 -2.234 -4.246 1.00 20.40 N ATOM 1767 CA LEU A 108 6.037 -1.794 -3.270 1.00 50.53 C ATOM 1768 C LEU A 108 5.139 -0.682 -3.840 1.00 5.23 C ATOM 1769 O LEU A 108 3.924 -0.684 -3.631 1.00 41.24 O ATOM 1770 CB LEU A 108 6.714 -1.300 -1.985 1.00 43.33 C ATOM 1771 CG LEU A 108 7.596 -2.330 -1.259 1.00 51.11 C ATOM 1772 CD1 LEU A 108 8.192 -1.725 0.010 1.00 25.23 C ATOM 1773 CD2 LEU A 108 6.803 -3.595 -0.937 1.00 42.44 C ATOM 0 H LEU A 108 8.009 -2.131 -3.928 1.00 20.40 H new ATOM 0 HA LEU A 108 5.409 -2.655 -3.043 1.00 50.53 H new ATOM 0 HB2 LEU A 108 7.326 -0.432 -2.229 1.00 43.33 H new ATOM 0 HB3 LEU A 108 5.941 -0.961 -1.296 1.00 43.33 H new ATOM 0 HG LEU A 108 8.415 -2.607 -1.923 1.00 51.11 H new ATOM 0 HD11 LEU A 108 8.813 -2.468 0.510 1.00 25.23 H new ATOM 0 HD12 LEU A 108 8.801 -0.859 -0.251 1.00 25.23 H new ATOM 0 HD13 LEU A 108 7.388 -1.415 0.678 1.00 25.23 H new ATOM 0 HD21 LEU A 108 7.448 -4.308 -0.424 1.00 42.44 H new ATOM 0 HD22 LEU A 108 5.959 -3.342 -0.295 1.00 42.44 H new ATOM 0 HD23 LEU A 108 6.435 -4.039 -1.862 1.00 42.44 H new ATOM 1785 N ARG A 109 5.746 0.260 -4.562 1.00 41.14 N ATOM 1786 CA ARG A 109 5.009 1.382 -5.162 1.00 50.44 C ATOM 1787 C ARG A 109 3.888 0.896 -6.102 1.00 24.30 C ATOM 1788 O ARG A 109 2.769 1.414 -6.068 1.00 42.54 O ATOM 1789 CB ARG A 109 5.983 2.300 -5.919 1.00 42.44 C ATOM 1790 CG ARG A 109 5.331 3.539 -6.528 1.00 61.03 C ATOM 1791 CD ARG A 109 6.367 4.473 -7.151 1.00 74.12 C ATOM 1792 NE ARG A 109 7.097 3.839 -8.251 1.00 41.40 N ATOM 1793 CZ ARG A 109 8.347 4.091 -8.545 1.00 10.10 C ATOM 1794 NH1 ARG A 109 9.044 4.910 -7.822 1.00 12.52 N ATOM 1795 NH2 ARG A 109 8.900 3.524 -9.566 1.00 2.24 N ATOM 0 H ARG A 109 6.749 0.272 -4.748 1.00 41.14 H new ATOM 0 HA ARG A 109 4.535 1.941 -4.355 1.00 50.44 H new ATOM 0 HB2 ARG A 109 6.771 2.617 -5.236 1.00 42.44 H new ATOM 0 HB3 ARG A 109 6.461 1.727 -6.714 1.00 42.44 H new ATOM 0 HG2 ARG A 109 4.611 3.235 -7.288 1.00 61.03 H new ATOM 0 HG3 ARG A 109 4.775 4.074 -5.758 1.00 61.03 H new ATOM 0 HD2 ARG A 109 5.869 5.371 -7.518 1.00 74.12 H new ATOM 0 HD3 ARG A 109 7.074 4.791 -6.384 1.00 74.12 H new ATOM 0 HE ARG A 109 6.599 3.158 -8.824 1.00 41.40 H new ATOM 0 HH11 ARG A 109 8.619 5.366 -7.014 1.00 12.52 H new ATOM 0 HH12 ARG A 109 10.018 5.099 -8.061 1.00 12.52 H new ATOM 0 HH21 ARG A 109 8.362 2.879 -10.144 1.00 2.24 H new ATOM 0 HH22 ARG A 109 9.874 3.722 -9.793 1.00 2.24 H new ATOM 1809 N THR A 110 4.193 -0.098 -6.934 1.00 13.14 N ATOM 1810 CA THR A 110 3.205 -0.663 -7.867 1.00 24.21 C ATOM 1811 C THR A 110 2.182 -1.557 -7.147 1.00 51.13 C ATOM 1812 O THR A 110 0.974 -1.434 -7.358 1.00 73.34 O ATOM 1813 CB THR A 110 3.886 -1.488 -8.988 1.00 32.34 C ATOM 1814 OG1 THR A 110 4.769 -0.651 -9.752 1.00 41.34 O ATOM 1815 CG2 THR A 110 2.857 -2.126 -9.920 1.00 63.44 C ATOM 0 H THR A 110 5.114 -0.532 -6.985 1.00 13.14 H new ATOM 0 HA THR A 110 2.686 0.188 -8.308 1.00 24.21 H new ATOM 0 HB THR A 110 4.455 -2.285 -8.510 1.00 32.34 H new ATOM 0 HG1 THR A 110 5.195 -1.182 -10.456 1.00 41.34 H new ATOM 0 HG21 THR A 110 3.371 -2.697 -10.693 1.00 63.44 H new ATOM 0 HG22 THR A 110 2.211 -2.791 -9.347 1.00 63.44 H new ATOM 0 HG23 THR A 110 2.254 -1.346 -10.385 1.00 63.44 H new ATOM 1823 N GLN A 111 2.669 -2.456 -6.291 1.00 13.02 N ATOM 1824 CA GLN A 111 1.796 -3.411 -5.594 1.00 73.31 C ATOM 1825 C GLN A 111 0.778 -2.699 -4.685 1.00 3.41 C ATOM 1826 O GLN A 111 -0.411 -3.024 -4.702 1.00 63.11 O ATOM 1827 CB GLN A 111 2.633 -4.414 -4.786 1.00 13.22 C ATOM 1828 CG GLN A 111 3.583 -5.251 -5.644 1.00 14.31 C ATOM 1829 CD GLN A 111 2.871 -6.025 -6.748 1.00 25.32 C ATOM 1830 OE1 GLN A 111 1.713 -6.407 -6.614 1.00 1.22 O ATOM 1831 NE2 GLN A 111 3.556 -6.269 -7.847 1.00 44.32 N ATOM 0 H GLN A 111 3.659 -2.546 -6.062 1.00 13.02 H new ATOM 0 HA GLN A 111 1.232 -3.954 -6.353 1.00 73.31 H new ATOM 0 HB2 GLN A 111 3.214 -3.872 -4.040 1.00 13.22 H new ATOM 0 HB3 GLN A 111 1.962 -5.081 -4.245 1.00 13.22 H new ATOM 0 HG2 GLN A 111 4.330 -4.596 -6.092 1.00 14.31 H new ATOM 0 HG3 GLN A 111 4.118 -5.953 -5.004 1.00 14.31 H new ATOM 0 HE21 GLN A 111 4.518 -5.940 -7.932 1.00 44.32 H new ATOM 0 HE22 GLN A 111 3.125 -6.787 -8.612 1.00 44.32 H new ATOM 1840 N TYR A 112 1.239 -1.721 -3.907 1.00 40.43 N ATOM 1841 CA TYR A 112 0.336 -0.921 -3.068 1.00 54.13 C ATOM 1842 C TYR A 112 -0.756 -0.267 -3.928 1.00 33.21 C ATOM 1843 O TYR A 112 -1.932 -0.251 -3.558 1.00 20.12 O ATOM 1844 CB TYR A 112 1.127 0.159 -2.311 1.00 22.12 C ATOM 1845 CG TYR A 112 0.303 0.937 -1.292 1.00 42.04 C ATOM 1846 CD1 TYR A 112 -0.493 2.016 -1.671 1.00 22.25 C ATOM 1847 CD2 TYR A 112 0.330 0.590 0.053 1.00 70.24 C ATOM 1848 CE1 TYR A 112 -1.234 2.721 -0.741 1.00 32.54 C ATOM 1849 CE2 TYR A 112 -0.409 1.291 0.985 1.00 11.13 C ATOM 1850 CZ TYR A 112 -1.187 2.355 0.586 1.00 50.33 C ATOM 1851 OH TYR A 112 -1.920 3.055 1.517 1.00 63.43 O ATOM 0 H TYR A 112 2.223 -1.462 -3.837 1.00 40.43 H new ATOM 0 HA TYR A 112 -0.138 -1.583 -2.344 1.00 54.13 H new ATOM 0 HB2 TYR A 112 1.966 -0.313 -1.799 1.00 22.12 H new ATOM 0 HB3 TYR A 112 1.547 0.859 -3.033 1.00 22.12 H new ATOM 0 HD1 TYR A 112 -0.532 2.307 -2.710 1.00 22.25 H new ATOM 0 HD2 TYR A 112 0.939 -0.242 0.375 1.00 70.24 H new ATOM 0 HE1 TYR A 112 -1.846 3.554 -1.053 1.00 32.54 H new ATOM 0 HE2 TYR A 112 -0.377 1.005 2.026 1.00 11.13 H new ATOM 0 HH TYR A 112 -2.479 2.433 2.028 1.00 63.43 H new ATOM 1861 N MET A 113 -0.347 0.252 -5.085 1.00 4.41 N ATOM 1862 CA MET A 113 -1.257 0.905 -6.032 1.00 51.31 C ATOM 1863 C MET A 113 -2.386 -0.039 -6.486 1.00 60.43 C ATOM 1864 O MET A 113 -3.520 0.390 -6.703 1.00 53.33 O ATOM 1865 CB MET A 113 -0.462 1.382 -7.252 1.00 11.30 C ATOM 1866 CG MET A 113 -1.271 2.208 -8.246 1.00 44.42 C ATOM 1867 SD MET A 113 -0.340 2.577 -9.747 1.00 60.01 S ATOM 1868 CE MET A 113 1.142 3.302 -9.051 1.00 42.11 C ATOM 0 H MET A 113 0.625 0.233 -5.395 1.00 4.41 H new ATOM 0 HA MET A 113 -1.718 1.753 -5.526 1.00 51.31 H new ATOM 0 HB2 MET A 113 0.385 1.976 -6.909 1.00 11.30 H new ATOM 0 HB3 MET A 113 -0.054 0.513 -7.767 1.00 11.30 H new ATOM 0 HG2 MET A 113 -2.180 1.668 -8.509 1.00 44.42 H new ATOM 0 HG3 MET A 113 -1.579 3.141 -7.774 1.00 44.42 H new ATOM 0 HE1 MET A 113 1.774 3.681 -9.855 1.00 42.11 H new ATOM 0 HE2 MET A 113 0.869 4.122 -8.387 1.00 42.11 H new ATOM 0 HE3 MET A 113 1.687 2.545 -8.487 1.00 42.11 H new ATOM 1878 N LYS A 114 -2.059 -1.322 -6.630 1.00 44.14 N ATOM 1879 CA LYS A 114 -3.026 -2.328 -7.082 1.00 72.21 C ATOM 1880 C LYS A 114 -4.071 -2.661 -6.004 1.00 4.41 C ATOM 1881 O LYS A 114 -5.276 -2.632 -6.259 1.00 14.03 O ATOM 1882 CB LYS A 114 -2.302 -3.625 -7.469 1.00 1.22 C ATOM 1883 CG LYS A 114 -1.280 -3.478 -8.589 1.00 2.04 C ATOM 1884 CD LYS A 114 -0.567 -4.801 -8.862 1.00 11.44 C ATOM 1885 CE LYS A 114 -1.552 -5.904 -9.243 1.00 24.14 C ATOM 1886 NZ LYS A 114 -0.899 -7.236 -9.331 1.00 31.13 N ATOM 0 H LYS A 114 -1.128 -1.693 -6.440 1.00 44.14 H new ATOM 0 HA LYS A 114 -3.540 -1.901 -7.943 1.00 72.21 H new ATOM 0 HB2 LYS A 114 -1.799 -4.020 -6.587 1.00 1.22 H new ATOM 0 HB3 LYS A 114 -3.045 -4.363 -7.769 1.00 1.22 H new ATOM 0 HG2 LYS A 114 -1.777 -3.136 -9.496 1.00 2.04 H new ATOM 0 HG3 LYS A 114 -0.548 -2.716 -8.320 1.00 2.04 H new ATOM 0 HD2 LYS A 114 0.157 -4.666 -9.666 1.00 11.44 H new ATOM 0 HD3 LYS A 114 -0.007 -5.102 -7.977 1.00 11.44 H new ATOM 0 HE2 LYS A 114 -2.354 -5.943 -8.506 1.00 24.14 H new ATOM 0 HE3 LYS A 114 -2.012 -5.663 -10.202 1.00 24.14 H new ATOM 0 HZ1 LYS A 114 -1.384 -7.814 -10.046 1.00 31.13 H new ATOM 0 HZ2 LYS A 114 0.098 -7.117 -9.601 1.00 31.13 H new ATOM 0 HZ3 LYS A 114 -0.953 -7.711 -8.407 1.00 31.13 H new ATOM 1900 N TYR A 115 -3.597 -2.984 -4.799 1.00 3.11 N ATOM 1901 CA TYR A 115 -4.458 -3.572 -3.759 1.00 32.00 C ATOM 1902 C TYR A 115 -4.897 -2.549 -2.693 1.00 15.45 C ATOM 1903 O TYR A 115 -6.083 -2.419 -2.394 1.00 2.13 O ATOM 1904 CB TYR A 115 -3.722 -4.744 -3.080 1.00 54.33 C ATOM 1905 CG TYR A 115 -2.979 -5.649 -4.055 1.00 5.35 C ATOM 1906 CD1 TYR A 115 -3.663 -6.494 -4.925 1.00 20.14 C ATOM 1907 CD2 TYR A 115 -1.588 -5.642 -4.115 1.00 74.12 C ATOM 1908 CE1 TYR A 115 -2.985 -7.300 -5.820 1.00 2.45 C ATOM 1909 CE2 TYR A 115 -0.907 -6.448 -5.006 1.00 22.03 C ATOM 1910 CZ TYR A 115 -1.607 -7.273 -5.857 1.00 33.13 C ATOM 1911 OH TYR A 115 -0.929 -8.065 -6.757 1.00 42.42 O ATOM 0 H TYR A 115 -2.626 -2.851 -4.515 1.00 3.11 H new ATOM 0 HA TYR A 115 -5.363 -3.924 -4.255 1.00 32.00 H new ATOM 0 HB2 TYR A 115 -3.012 -4.345 -2.356 1.00 54.33 H new ATOM 0 HB3 TYR A 115 -4.444 -5.341 -2.523 1.00 54.33 H new ATOM 0 HD1 TYR A 115 -4.742 -6.520 -4.900 1.00 20.14 H new ATOM 0 HD2 TYR A 115 -1.032 -4.995 -3.453 1.00 74.12 H new ATOM 0 HE1 TYR A 115 -3.533 -7.949 -6.488 1.00 2.45 H new ATOM 0 HE2 TYR A 115 0.172 -6.431 -5.035 1.00 22.03 H new ATOM 0 HH TYR A 115 -0.018 -7.722 -6.873 1.00 42.42 H new ATOM 1921 N LEU A 116 -3.942 -1.815 -2.132 1.00 12.20 N ATOM 1922 CA LEU A 116 -4.205 -0.968 -0.958 1.00 44.45 C ATOM 1923 C LEU A 116 -4.580 0.480 -1.326 1.00 40.04 C ATOM 1924 O LEU A 116 -5.209 1.184 -0.534 1.00 73.24 O ATOM 1925 CB LEU A 116 -2.973 -0.974 -0.048 1.00 64.14 C ATOM 1926 CG LEU A 116 -2.567 -2.357 0.492 1.00 74.51 C ATOM 1927 CD1 LEU A 116 -1.247 -2.278 1.252 1.00 45.31 C ATOM 1928 CD2 LEU A 116 -3.664 -2.930 1.384 1.00 3.43 C ATOM 0 H LEU A 116 -2.978 -1.785 -2.465 1.00 12.20 H new ATOM 0 HA LEU A 116 -5.068 -1.389 -0.442 1.00 44.45 H new ATOM 0 HB2 LEU A 116 -2.131 -0.555 -0.599 1.00 64.14 H new ATOM 0 HB3 LEU A 116 -3.162 -0.312 0.797 1.00 64.14 H new ATOM 0 HG LEU A 116 -2.431 -3.025 -0.359 1.00 74.51 H new ATOM 0 HD11 LEU A 116 -0.981 -3.268 1.624 1.00 45.31 H new ATOM 0 HD12 LEU A 116 -0.464 -1.919 0.584 1.00 45.31 H new ATOM 0 HD13 LEU A 116 -1.351 -1.591 2.092 1.00 45.31 H new ATOM 0 HD21 LEU A 116 -3.357 -3.908 1.755 1.00 3.43 H new ATOM 0 HD22 LEU A 116 -3.836 -2.259 2.226 1.00 3.43 H new ATOM 0 HD23 LEU A 116 -4.584 -3.033 0.809 1.00 3.43 H new ATOM 1940 N TYR A 117 -4.197 0.917 -2.523 1.00 71.02 N ATOM 1941 CA TYR A 117 -4.443 2.300 -2.969 1.00 63.30 C ATOM 1942 C TYR A 117 -5.946 2.664 -3.005 1.00 73.25 C ATOM 1943 O TYR A 117 -6.343 3.682 -2.433 1.00 3.44 O ATOM 1944 CB TYR A 117 -3.790 2.541 -4.338 1.00 14.12 C ATOM 1945 CG TYR A 117 -4.233 3.818 -5.031 1.00 3.22 C ATOM 1946 CD1 TYR A 117 -3.921 5.069 -4.509 1.00 45.11 C ATOM 1947 CD2 TYR A 117 -4.969 3.766 -6.212 1.00 11.14 C ATOM 1948 CE1 TYR A 117 -4.330 6.227 -5.142 1.00 51.10 C ATOM 1949 CE2 TYR A 117 -5.379 4.917 -6.847 1.00 22.41 C ATOM 1950 CZ TYR A 117 -5.059 6.145 -6.311 1.00 65.33 C ATOM 1951 OH TYR A 117 -5.474 7.293 -6.944 1.00 35.22 O ATOM 0 H TYR A 117 -3.713 0.337 -3.209 1.00 71.02 H new ATOM 0 HA TYR A 117 -3.985 2.959 -2.231 1.00 63.30 H new ATOM 0 HB2 TYR A 117 -2.708 2.568 -4.210 1.00 14.12 H new ATOM 0 HB3 TYR A 117 -4.013 1.694 -4.987 1.00 14.12 H new ATOM 0 HD1 TYR A 117 -3.350 5.136 -3.595 1.00 45.11 H new ATOM 0 HD2 TYR A 117 -5.223 2.806 -6.637 1.00 11.14 H new ATOM 0 HE1 TYR A 117 -4.081 7.191 -4.724 1.00 51.10 H new ATOM 0 HE2 TYR A 117 -5.949 4.857 -7.762 1.00 22.41 H new ATOM 0 HH TYR A 117 -4.982 8.061 -6.585 1.00 35.22 H new ATOM 1961 N PRO A 118 -6.815 1.859 -3.668 1.00 73.23 N ATOM 1962 CA PRO A 118 -8.261 2.152 -3.721 1.00 12.34 C ATOM 1963 C PRO A 118 -8.885 2.264 -2.318 1.00 34.21 C ATOM 1964 O PRO A 118 -9.800 3.058 -2.089 1.00 74.20 O ATOM 1965 CB PRO A 118 -8.854 0.957 -4.496 1.00 4.12 C ATOM 1966 CG PRO A 118 -7.805 -0.104 -4.438 1.00 75.43 C ATOM 1967 CD PRO A 118 -6.488 0.620 -4.406 1.00 1.53 C ATOM 0 HA PRO A 118 -8.463 3.112 -4.195 1.00 12.34 H new ATOM 0 HB2 PRO A 118 -9.785 0.616 -4.043 1.00 4.12 H new ATOM 0 HB3 PRO A 118 -9.082 1.230 -5.526 1.00 4.12 H new ATOM 0 HG2 PRO A 118 -7.929 -0.728 -3.553 1.00 75.43 H new ATOM 0 HG3 PRO A 118 -7.868 -0.763 -5.304 1.00 75.43 H new ATOM 0 HD2 PRO A 118 -5.718 0.038 -3.899 1.00 1.53 H new ATOM 0 HD3 PRO A 118 -6.118 0.832 -5.409 1.00 1.53 H new ATOM 1975 N TYR A 119 -8.370 1.472 -1.378 1.00 71.43 N ATOM 1976 CA TYR A 119 -8.858 1.487 0.004 1.00 12.43 C ATOM 1977 C TYR A 119 -8.372 2.744 0.745 1.00 74.43 C ATOM 1978 O TYR A 119 -9.119 3.340 1.526 1.00 50.23 O ATOM 1979 CB TYR A 119 -8.405 0.220 0.742 1.00 43.21 C ATOM 1980 CG TYR A 119 -9.186 -0.064 2.012 1.00 63.42 C ATOM 1981 CD1 TYR A 119 -10.480 -0.576 1.951 1.00 51.12 C ATOM 1982 CD2 TYR A 119 -8.634 0.171 3.267 1.00 43.24 C ATOM 1983 CE1 TYR A 119 -11.198 -0.843 3.100 1.00 21.11 C ATOM 1984 CE2 TYR A 119 -9.346 -0.097 4.421 1.00 51.04 C ATOM 1985 CZ TYR A 119 -10.627 -0.605 4.332 1.00 5.51 C ATOM 1986 OH TYR A 119 -11.343 -0.867 5.480 1.00 0.53 O ATOM 0 H TYR A 119 -7.613 0.810 -1.547 1.00 71.43 H new ATOM 0 HA TYR A 119 -9.948 1.508 -0.019 1.00 12.43 H new ATOM 0 HB2 TYR A 119 -8.500 -0.633 0.070 1.00 43.21 H new ATOM 0 HB3 TYR A 119 -7.348 0.314 0.991 1.00 43.21 H new ATOM 0 HD1 TYR A 119 -10.930 -0.768 0.988 1.00 51.12 H new ATOM 0 HD2 TYR A 119 -7.633 0.569 3.341 1.00 43.24 H new ATOM 0 HE1 TYR A 119 -12.202 -1.236 3.034 1.00 21.11 H new ATOM 0 HE2 TYR A 119 -8.903 0.090 5.388 1.00 51.04 H new ATOM 0 HH TYR A 119 -12.103 -1.447 5.266 1.00 0.53 H new ATOM 1996 N GLU A 120 -7.121 3.147 0.487 1.00 24.05 N ATOM 1997 CA GLU A 120 -6.560 4.376 1.071 1.00 65.01 C ATOM 1998 C GLU A 120 -7.411 5.588 0.680 1.00 12.03 C ATOM 1999 O GLU A 120 -7.870 6.338 1.540 1.00 74.24 O ATOM 2000 CB GLU A 120 -5.096 4.582 0.614 1.00 5.34 C ATOM 2001 CG GLU A 120 -4.356 5.733 1.321 1.00 70.25 C ATOM 2002 CD GLU A 120 -4.136 6.970 0.444 1.00 23.14 C ATOM 2003 OE1 GLU A 120 -5.102 7.736 0.227 1.00 71.21 O ATOM 2004 OE2 GLU A 120 -2.984 7.194 -0.006 1.00 64.31 O ATOM 0 H GLU A 120 -6.477 2.641 -0.122 1.00 24.05 H new ATOM 0 HA GLU A 120 -6.571 4.274 2.156 1.00 65.01 H new ATOM 0 HB2 GLU A 120 -4.544 3.657 0.781 1.00 5.34 H new ATOM 0 HB3 GLU A 120 -5.088 4.769 -0.460 1.00 5.34 H new ATOM 0 HG2 GLU A 120 -4.922 6.025 2.206 1.00 70.25 H new ATOM 0 HG3 GLU A 120 -3.388 5.370 1.667 1.00 70.25 H new ATOM 2011 N CYS A 121 -7.639 5.756 -0.622 1.00 32.51 N ATOM 2012 CA CYS A 121 -8.445 6.873 -1.136 1.00 42.14 C ATOM 2013 C CYS A 121 -9.878 6.866 -0.578 1.00 21.11 C ATOM 2014 O CYS A 121 -10.456 7.921 -0.315 1.00 30.41 O ATOM 2015 CB CYS A 121 -8.489 6.832 -2.667 1.00 35.04 C ATOM 2016 SG CYS A 121 -6.877 7.044 -3.456 1.00 63.31 S ATOM 0 H CYS A 121 -7.278 5.134 -1.345 1.00 32.51 H new ATOM 0 HA CYS A 121 -7.965 7.793 -0.802 1.00 42.14 H new ATOM 0 HB2 CYS A 121 -8.914 5.879 -2.982 1.00 35.04 H new ATOM 0 HB3 CYS A 121 -9.161 7.613 -3.022 1.00 35.04 H new ATOM 0 HG CYS A 121 -6.680 6.081 -4.307 1.00 63.31 H new ATOM 2022 N GLU A 122 -10.447 5.675 -0.406 1.00 44.22 N ATOM 2023 CA GLU A 122 -11.816 5.541 0.110 1.00 31.03 C ATOM 2024 C GLU A 122 -11.914 5.913 1.603 1.00 13.13 C ATOM 2025 O GLU A 122 -12.597 6.868 1.975 1.00 62.01 O ATOM 2026 CB GLU A 122 -12.324 4.105 -0.091 1.00 62.42 C ATOM 2027 CG GLU A 122 -13.776 3.891 0.341 1.00 3.33 C ATOM 2028 CD GLU A 122 -14.779 4.595 -0.565 1.00 2.11 C ATOM 2029 OE1 GLU A 122 -14.946 5.827 -0.440 1.00 31.53 O ATOM 2030 OE2 GLU A 122 -15.396 3.923 -1.418 1.00 0.22 O ATOM 0 H GLU A 122 -9.987 4.789 -0.614 1.00 44.22 H new ATOM 0 HA GLU A 122 -12.438 6.237 -0.452 1.00 31.03 H new ATOM 0 HB2 GLU A 122 -12.226 3.840 -1.144 1.00 62.42 H new ATOM 0 HB3 GLU A 122 -11.685 3.423 0.470 1.00 62.42 H new ATOM 0 HG2 GLU A 122 -13.992 2.823 0.351 1.00 3.33 H new ATOM 0 HG3 GLU A 122 -13.902 4.252 1.362 1.00 3.33 H new ATOM 2037 N LYS A 123 -11.224 5.156 2.451 1.00 62.42 N ATOM 2038 CA LYS A 123 -11.341 5.316 3.907 1.00 62.21 C ATOM 2039 C LYS A 123 -10.573 6.540 4.435 1.00 21.40 C ATOM 2040 O LYS A 123 -10.956 7.130 5.444 1.00 23.25 O ATOM 2041 CB LYS A 123 -10.854 4.045 4.615 1.00 14.14 C ATOM 2042 CG LYS A 123 -11.663 2.799 4.264 1.00 73.03 C ATOM 2043 CD LYS A 123 -13.129 2.940 4.671 1.00 3.21 C ATOM 2044 CE LYS A 123 -13.941 1.712 4.278 1.00 12.45 C ATOM 2045 NZ LYS A 123 -15.366 1.831 4.685 1.00 24.12 N ATOM 0 H LYS A 123 -10.576 4.424 2.160 1.00 62.42 H new ATOM 0 HA LYS A 123 -12.396 5.483 4.126 1.00 62.21 H new ATOM 0 HB2 LYS A 123 -9.809 3.874 4.357 1.00 14.14 H new ATOM 0 HB3 LYS A 123 -10.894 4.202 5.693 1.00 14.14 H new ATOM 0 HG2 LYS A 123 -11.600 2.615 3.192 1.00 73.03 H new ATOM 0 HG3 LYS A 123 -11.229 1.932 4.762 1.00 73.03 H new ATOM 0 HD2 LYS A 123 -13.195 3.091 5.748 1.00 3.21 H new ATOM 0 HD3 LYS A 123 -13.555 3.825 4.198 1.00 3.21 H new ATOM 0 HE2 LYS A 123 -13.883 1.570 3.199 1.00 12.45 H new ATOM 0 HE3 LYS A 123 -13.505 0.826 4.740 1.00 12.45 H new ATOM 0 HZ1 LYS A 123 -15.882 0.974 4.398 1.00 24.12 H new ATOM 0 HZ2 LYS A 123 -15.424 1.941 5.718 1.00 24.12 H new ATOM 0 HZ3 LYS A 123 -15.791 2.661 4.224 1.00 24.12 H new ATOM 2059 N ARG A 124 -9.485 6.914 3.766 1.00 54.31 N ATOM 2060 CA ARG A 124 -8.666 8.054 4.202 1.00 2.41 C ATOM 2061 C ARG A 124 -8.755 9.234 3.219 1.00 21.21 C ATOM 2062 O ARG A 124 -9.238 10.310 3.571 1.00 71.13 O ATOM 2063 CB ARG A 124 -7.202 7.623 4.367 1.00 64.43 C ATOM 2064 CG ARG A 124 -6.967 6.556 5.438 1.00 35.54 C ATOM 2065 CD ARG A 124 -7.254 7.071 6.851 1.00 31.14 C ATOM 2066 NE ARG A 124 -8.688 7.206 7.127 1.00 4.24 N ATOM 2067 CZ ARG A 124 -9.201 8.056 7.974 1.00 53.14 C ATOM 2068 NH1 ARG A 124 -8.444 8.880 8.620 1.00 21.52 N ATOM 2069 NH2 ARG A 124 -10.480 8.084 8.173 1.00 44.13 N ATOM 0 H ARG A 124 -9.147 6.450 2.923 1.00 54.31 H new ATOM 0 HA ARG A 124 -9.059 8.389 5.162 1.00 2.41 H new ATOM 0 HB2 ARG A 124 -6.839 7.245 3.411 1.00 64.43 H new ATOM 0 HB3 ARG A 124 -6.604 8.501 4.611 1.00 64.43 H new ATOM 0 HG2 ARG A 124 -7.602 5.694 5.233 1.00 35.54 H new ATOM 0 HG3 ARG A 124 -5.934 6.212 5.383 1.00 35.54 H new ATOM 0 HD2 ARG A 124 -6.811 6.390 7.578 1.00 31.14 H new ATOM 0 HD3 ARG A 124 -6.770 8.039 6.985 1.00 31.14 H new ATOM 0 HE ARG A 124 -9.329 6.593 6.622 1.00 4.24 H new ATOM 0 HH11 ARG A 124 -7.435 8.870 8.470 1.00 21.52 H new ATOM 0 HH12 ARG A 124 -8.855 9.540 9.280 1.00 21.52 H new ATOM 0 HH21 ARG A 124 -11.089 7.441 7.667 1.00 44.13 H new ATOM 0 HH22 ARG A 124 -10.879 8.749 8.836 1.00 44.13 H new ATOM 2083 N GLY A 125 -8.288 9.025 1.987 1.00 72.01 N ATOM 2084 CA GLY A 125 -8.243 10.104 1.003 1.00 32.33 C ATOM 2085 C GLY A 125 -6.990 10.959 1.147 1.00 10.34 C ATOM 2086 O GLY A 125 -7.043 12.187 1.036 1.00 33.24 O ATOM 0 H GLY A 125 -7.939 8.127 1.650 1.00 72.01 H new ATOM 0 HA2 GLY A 125 -8.279 9.680 -0.001 1.00 32.33 H new ATOM 0 HA3 GLY A 125 -9.126 10.733 1.115 1.00 32.33 H new ATOM 2090 N LEU A 126 -5.858 10.300 1.379 1.00 65.31 N ATOM 2091 CA LEU A 126 -4.588 10.987 1.629 1.00 60.54 C ATOM 2092 C LEU A 126 -3.942 11.467 0.323 1.00 74.40 C ATOM 2093 O LEU A 126 -3.316 12.530 0.280 1.00 4.41 O ATOM 2094 CB LEU A 126 -3.625 10.045 2.371 1.00 54.14 C ATOM 2095 CG LEU A 126 -4.116 9.545 3.742 1.00 14.02 C ATOM 2096 CD1 LEU A 126 -3.196 8.452 4.283 1.00 1.01 C ATOM 2097 CD2 LEU A 126 -4.216 10.701 4.734 1.00 4.13 C ATOM 0 H LEU A 126 -5.792 9.282 1.400 1.00 65.31 H new ATOM 0 HA LEU A 126 -4.794 11.863 2.244 1.00 60.54 H new ATOM 0 HB2 LEU A 126 -3.429 9.180 1.737 1.00 54.14 H new ATOM 0 HB3 LEU A 126 -2.675 10.560 2.510 1.00 54.14 H new ATOM 0 HG LEU A 126 -5.111 9.119 3.610 1.00 14.02 H new ATOM 0 HD11 LEU A 126 -3.563 8.114 5.252 1.00 1.01 H new ATOM 0 HD12 LEU A 126 -3.181 7.612 3.588 1.00 1.01 H new ATOM 0 HD13 LEU A 126 -2.187 8.848 4.395 1.00 1.01 H new ATOM 0 HD21 LEU A 126 -4.565 10.326 5.696 1.00 4.13 H new ATOM 0 HD22 LEU A 126 -3.235 11.160 4.858 1.00 4.13 H new ATOM 0 HD23 LEU A 126 -4.920 11.444 4.358 1.00 4.13 H new ATOM 2109 N SER A 127 -4.101 10.683 -0.743 1.00 42.32 N ATOM 2110 CA SER A 127 -3.475 10.999 -2.034 1.00 4.11 C ATOM 2111 C SER A 127 -4.506 11.095 -3.175 1.00 51.30 C ATOM 2112 O SER A 127 -5.556 10.450 -3.142 1.00 30.34 O ATOM 2113 CB SER A 127 -2.431 9.930 -2.395 1.00 41.34 C ATOM 2114 OG SER A 127 -1.590 9.608 -1.293 1.00 43.35 O ATOM 0 H SER A 127 -4.655 9.827 -0.742 1.00 42.32 H new ATOM 0 HA SER A 127 -2.997 11.973 -1.923 1.00 4.11 H new ATOM 0 HB2 SER A 127 -2.939 9.029 -2.738 1.00 41.34 H new ATOM 0 HB3 SER A 127 -1.820 10.286 -3.224 1.00 41.34 H new ATOM 0 HG SER A 127 -1.969 8.848 -0.803 1.00 43.35 H new ATOM 2120 N ASN A 128 -4.191 11.905 -4.187 1.00 71.32 N ATOM 2121 CA ASN A 128 -5.018 12.009 -5.401 1.00 53.20 C ATOM 2122 C ASN A 128 -4.417 11.172 -6.543 1.00 61.44 C ATOM 2123 O ASN A 128 -3.201 10.980 -6.609 1.00 42.13 O ATOM 2124 CB ASN A 128 -5.129 13.467 -5.867 1.00 72.42 C ATOM 2125 CG ASN A 128 -5.664 14.395 -4.799 1.00 34.23 C ATOM 2126 OD1 ASN A 128 -6.869 14.564 -4.643 1.00 53.54 O ATOM 2127 ND2 ASN A 128 -4.769 15.026 -4.075 1.00 72.11 N ATOM 0 H ASN A 128 -3.365 12.504 -4.194 1.00 71.32 H new ATOM 0 HA ASN A 128 -6.009 11.631 -5.151 1.00 53.20 H new ATOM 0 HB2 ASN A 128 -4.146 13.816 -6.184 1.00 72.42 H new ATOM 0 HB3 ASN A 128 -5.780 13.514 -6.740 1.00 72.42 H new ATOM 0 HD21 ASN A 128 -5.067 15.683 -3.354 1.00 72.11 H new ATOM 0 HD22 ASN A 128 -3.775 14.860 -4.234 1.00 72.11 H new ATOM 2134 N PRO A 129 -5.254 10.667 -7.470 1.00 60.44 N ATOM 2135 CA PRO A 129 -4.775 9.905 -8.639 1.00 10.04 C ATOM 2136 C PRO A 129 -3.848 10.717 -9.565 1.00 64.30 C ATOM 2137 O PRO A 129 -2.926 10.162 -10.170 1.00 43.30 O ATOM 2138 CB PRO A 129 -6.069 9.509 -9.373 1.00 10.05 C ATOM 2139 CG PRO A 129 -7.105 10.460 -8.871 1.00 4.31 C ATOM 2140 CD PRO A 129 -6.726 10.775 -7.451 1.00 14.21 C ATOM 0 HA PRO A 129 -4.166 9.055 -8.331 1.00 10.04 H new ATOM 0 HB2 PRO A 129 -5.950 9.589 -10.454 1.00 10.05 H new ATOM 0 HB3 PRO A 129 -6.344 8.476 -9.158 1.00 10.05 H new ATOM 0 HG2 PRO A 129 -7.130 11.365 -9.478 1.00 4.31 H new ATOM 0 HG3 PRO A 129 -8.099 10.015 -8.920 1.00 4.31 H new ATOM 0 HD2 PRO A 129 -7.054 11.772 -7.157 1.00 14.21 H new ATOM 0 HD3 PRO A 129 -7.173 10.072 -6.748 1.00 14.21 H new ATOM 2148 N ASN A 130 -4.076 12.026 -9.667 1.00 55.32 N ATOM 2149 CA ASN A 130 -3.285 12.869 -10.576 1.00 33.33 C ATOM 2150 C ASN A 130 -1.906 13.220 -9.997 1.00 50.41 C ATOM 2151 O ASN A 130 -0.895 13.098 -10.693 1.00 35.35 O ATOM 2152 CB ASN A 130 -4.054 14.136 -10.953 1.00 23.23 C ATOM 2153 CG ASN A 130 -5.252 13.830 -11.835 1.00 12.50 C ATOM 2154 OD1 ASN A 130 -5.256 12.851 -12.580 1.00 71.50 O ATOM 2155 ND2 ASN A 130 -6.272 14.659 -11.770 1.00 5.20 N ATOM 0 H ASN A 130 -4.792 12.525 -9.140 1.00 55.32 H new ATOM 0 HA ASN A 130 -3.112 12.285 -11.480 1.00 33.33 H new ATOM 0 HB2 ASN A 130 -4.390 14.640 -10.047 1.00 23.23 H new ATOM 0 HB3 ASN A 130 -3.387 14.824 -11.472 1.00 23.23 H new ATOM 0 HD21 ASN A 130 -7.097 14.499 -12.348 1.00 5.20 H new ATOM 0 HD22 ASN A 130 -6.237 15.462 -11.142 1.00 5.20 H new ATOM 2162 N GLU A 131 -1.848 13.647 -8.729 1.00 63.22 N ATOM 2163 CA GLU A 131 -0.551 13.907 -8.087 1.00 43.23 C ATOM 2164 C GLU A 131 0.295 12.621 -8.065 1.00 11.22 C ATOM 2165 O GLU A 131 1.522 12.662 -8.174 1.00 62.15 O ATOM 2166 CB GLU A 131 -0.725 14.455 -6.660 1.00 72.51 C ATOM 2167 CG GLU A 131 -1.247 13.442 -5.650 1.00 5.10 C ATOM 2168 CD GLU A 131 -1.234 13.974 -4.224 1.00 52.30 C ATOM 2169 OE1 GLU A 131 -0.168 14.438 -3.767 1.00 51.15 O ATOM 2170 OE2 GLU A 131 -2.284 13.936 -3.561 1.00 44.00 O ATOM 0 H GLU A 131 -2.662 13.817 -8.138 1.00 63.22 H new ATOM 0 HA GLU A 131 -0.034 14.667 -8.673 1.00 43.23 H new ATOM 0 HB2 GLU A 131 0.236 14.834 -6.311 1.00 72.51 H new ATOM 0 HB3 GLU A 131 -1.410 15.303 -6.692 1.00 72.51 H new ATOM 0 HG2 GLU A 131 -2.265 13.159 -5.918 1.00 5.10 H new ATOM 0 HG3 GLU A 131 -0.640 12.538 -5.702 1.00 5.10 H new ATOM 2177 N LEU A 132 -0.391 11.481 -7.930 1.00 34.30 N ATOM 2178 CA LEU A 132 0.245 10.160 -8.004 1.00 53.54 C ATOM 2179 C LEU A 132 1.019 9.992 -9.319 1.00 43.03 C ATOM 2180 O LEU A 132 2.190 9.613 -9.320 1.00 5.33 O ATOM 2181 CB LEU A 132 -0.827 9.061 -7.883 1.00 44.14 C ATOM 2182 CG LEU A 132 -0.320 7.609 -7.966 1.00 32.13 C ATOM 2183 CD1 LEU A 132 0.648 7.305 -6.828 1.00 64.22 C ATOM 2184 CD2 LEU A 132 -1.492 6.627 -7.958 1.00 64.23 C ATOM 0 H LEU A 132 -1.397 11.447 -7.767 1.00 34.30 H new ATOM 0 HA LEU A 132 0.953 10.073 -7.180 1.00 53.54 H new ATOM 0 HB2 LEU A 132 -1.345 9.190 -6.933 1.00 44.14 H new ATOM 0 HB3 LEU A 132 -1.565 9.213 -8.671 1.00 44.14 H new ATOM 0 HG LEU A 132 0.218 7.491 -8.907 1.00 32.13 H new ATOM 0 HD11 LEU A 132 0.992 6.274 -6.909 1.00 64.22 H new ATOM 0 HD12 LEU A 132 1.503 7.978 -6.888 1.00 64.22 H new ATOM 0 HD13 LEU A 132 0.142 7.445 -5.873 1.00 64.22 H new ATOM 0 HD21 LEU A 132 -1.112 5.607 -8.017 1.00 64.23 H new ATOM 0 HD22 LEU A 132 -2.063 6.749 -7.037 1.00 64.23 H new ATOM 0 HD23 LEU A 132 -2.138 6.824 -8.814 1.00 64.23 H new ATOM 2196 N GLN A 133 0.354 10.293 -10.434 1.00 21.40 N ATOM 2197 CA GLN A 133 0.963 10.176 -11.762 1.00 13.12 C ATOM 2198 C GLN A 133 2.228 11.045 -11.886 1.00 0.51 C ATOM 2199 O GLN A 133 3.249 10.599 -12.420 1.00 33.35 O ATOM 2200 CB GLN A 133 -0.054 10.566 -12.845 1.00 21.43 C ATOM 2201 CG GLN A 133 0.488 10.473 -14.267 1.00 23.12 C ATOM 2202 CD GLN A 133 0.917 9.067 -14.651 1.00 72.21 C ATOM 2203 OE1 GLN A 133 0.131 8.287 -15.173 1.00 50.25 O ATOM 2204 NE2 GLN A 133 2.168 8.732 -14.397 1.00 55.13 N ATOM 0 H GLN A 133 -0.612 10.621 -10.445 1.00 21.40 H new ATOM 0 HA GLN A 133 1.259 9.136 -11.901 1.00 13.12 H new ATOM 0 HB2 GLN A 133 -0.928 9.921 -12.757 1.00 21.43 H new ATOM 0 HB3 GLN A 133 -0.391 11.586 -12.662 1.00 21.43 H new ATOM 0 HG2 GLN A 133 -0.277 10.816 -14.964 1.00 23.12 H new ATOM 0 HG3 GLN A 133 1.339 11.147 -14.370 1.00 23.12 H new ATOM 0 HE21 GLN A 133 2.798 9.405 -13.961 1.00 55.13 H new ATOM 0 HE22 GLN A 133 2.505 7.800 -14.637 1.00 55.13 H new ATOM 2213 N ALA A 134 2.154 12.281 -11.390 1.00 63.41 N ATOM 2214 CA ALA A 134 3.305 13.197 -11.400 1.00 44.23 C ATOM 2215 C ALA A 134 4.485 12.628 -10.592 1.00 71.12 C ATOM 2216 O ALA A 134 5.629 12.627 -11.055 1.00 55.44 O ATOM 2217 CB ALA A 134 2.894 14.561 -10.854 1.00 51.11 C ATOM 0 H ALA A 134 1.310 12.675 -10.975 1.00 63.41 H new ATOM 0 HA ALA A 134 3.636 13.311 -12.432 1.00 44.23 H new ATOM 0 HB1 ALA A 134 3.753 15.232 -10.866 1.00 51.11 H new ATOM 0 HB2 ALA A 134 2.100 14.977 -11.475 1.00 51.11 H new ATOM 0 HB3 ALA A 134 2.534 14.450 -9.831 1.00 51.11 H new ATOM 2223 N ALA A 135 4.187 12.141 -9.385 1.00 43.33 N ATOM 2224 CA ALA A 135 5.186 11.500 -8.521 1.00 61.25 C ATOM 2225 C ALA A 135 5.901 10.353 -9.251 1.00 3.31 C ATOM 2226 O ALA A 135 7.135 10.279 -9.284 1.00 15.20 O ATOM 2227 CB ALA A 135 4.508 10.972 -7.259 1.00 71.35 C ATOM 0 H ALA A 135 3.252 12.179 -8.979 1.00 43.33 H new ATOM 0 HA ALA A 135 5.935 12.245 -8.252 1.00 61.25 H new ATOM 0 HB1 ALA A 135 5.251 10.496 -6.619 1.00 71.35 H new ATOM 0 HB2 ALA A 135 4.043 11.799 -6.723 1.00 71.35 H new ATOM 0 HB3 ALA A 135 3.746 10.243 -7.533 1.00 71.35 H new ATOM 2233 N ILE A 136 5.108 9.467 -9.842 1.00 52.12 N ATOM 2234 CA ILE A 136 5.629 8.304 -10.564 1.00 14.42 C ATOM 2235 C ILE A 136 6.464 8.719 -11.783 1.00 44.52 C ATOM 2236 O ILE A 136 7.523 8.145 -12.037 1.00 22.50 O ATOM 2237 CB ILE A 136 4.468 7.387 -11.011 1.00 10.25 C ATOM 2238 CG1 ILE A 136 3.671 6.928 -9.781 1.00 33.33 C ATOM 2239 CG2 ILE A 136 4.988 6.187 -11.808 1.00 41.11 C ATOM 2240 CD1 ILE A 136 2.322 6.340 -10.112 1.00 50.24 C ATOM 0 H ILE A 136 4.090 9.530 -9.837 1.00 52.12 H new ATOM 0 HA ILE A 136 6.280 7.759 -9.881 1.00 14.42 H new ATOM 0 HB ILE A 136 3.808 7.952 -11.669 1.00 10.25 H new ATOM 0 HG12 ILE A 136 4.256 6.187 -9.237 1.00 33.33 H new ATOM 0 HG13 ILE A 136 3.532 7.778 -9.112 1.00 33.33 H new ATOM 0 HG21 ILE A 136 4.149 5.559 -12.109 1.00 41.11 H new ATOM 0 HG22 ILE A 136 5.514 6.540 -12.695 1.00 41.11 H new ATOM 0 HG23 ILE A 136 5.671 5.607 -11.188 1.00 41.11 H new ATOM 0 HD11 ILE A 136 1.820 6.040 -9.192 1.00 50.24 H new ATOM 0 HD12 ILE A 136 1.717 7.085 -10.629 1.00 50.24 H new ATOM 0 HD13 ILE A 136 2.452 5.470 -10.755 1.00 50.24 H new ATOM 2252 N ASP A 137 5.989 9.719 -12.528 1.00 40.24 N ATOM 2253 CA ASP A 137 6.725 10.237 -13.687 1.00 60.30 C ATOM 2254 C ASP A 137 8.142 10.673 -13.280 1.00 61.13 C ATOM 2255 O ASP A 137 9.134 10.269 -13.890 1.00 40.52 O ATOM 2256 CB ASP A 137 5.959 11.409 -14.328 1.00 21.33 C ATOM 2257 CG ASP A 137 6.632 11.942 -15.586 1.00 10.44 C ATOM 2258 OD1 ASP A 137 7.244 11.143 -16.322 1.00 52.13 O ATOM 2259 OD2 ASP A 137 6.533 13.159 -15.853 1.00 61.41 O ATOM 0 H ASP A 137 5.100 10.187 -12.351 1.00 40.24 H new ATOM 0 HA ASP A 137 6.814 9.439 -14.424 1.00 60.30 H new ATOM 0 HB2 ASP A 137 4.948 11.084 -14.573 1.00 21.33 H new ATOM 0 HB3 ASP A 137 5.867 12.217 -13.602 1.00 21.33 H new ATOM 2264 N SER A 138 8.225 11.475 -12.220 1.00 14.14 N ATOM 2265 CA SER A 138 9.517 11.905 -11.674 1.00 43.04 C ATOM 2266 C SER A 138 10.354 10.706 -11.194 1.00 1.33 C ATOM 2267 O SER A 138 11.576 10.702 -11.327 1.00 62.12 O ATOM 2268 CB SER A 138 9.308 12.896 -10.519 1.00 51.31 C ATOM 2269 OG SER A 138 8.645 14.075 -10.964 1.00 5.13 O ATOM 0 H SER A 138 7.415 11.842 -11.720 1.00 14.14 H new ATOM 0 HA SER A 138 10.065 12.400 -12.476 1.00 43.04 H new ATOM 0 HB2 SER A 138 8.722 12.422 -9.731 1.00 51.31 H new ATOM 0 HB3 SER A 138 10.272 13.160 -10.084 1.00 51.31 H new ATOM 0 HG SER A 138 8.524 14.687 -10.208 1.00 5.13 H new ATOM 2275 N ASN A 139 9.689 9.682 -10.649 1.00 40.25 N ATOM 2276 CA ASN A 139 10.382 8.465 -10.188 1.00 15.34 C ATOM 2277 C ASN A 139 10.901 7.610 -11.360 1.00 64.42 C ATOM 2278 O ASN A 139 11.902 6.905 -11.227 1.00 52.13 O ATOM 2279 CB ASN A 139 9.468 7.622 -9.286 1.00 72.11 C ATOM 2280 CG ASN A 139 9.366 8.162 -7.867 1.00 53.22 C ATOM 2281 OD1 ASN A 139 9.275 7.400 -6.907 1.00 62.52 O ATOM 2282 ND2 ASN A 139 9.363 9.472 -7.715 1.00 53.24 N ATOM 0 H ASN A 139 8.678 9.667 -10.515 1.00 40.25 H new ATOM 0 HA ASN A 139 11.246 8.795 -9.611 1.00 15.34 H new ATOM 0 HB2 ASN A 139 8.471 7.582 -9.725 1.00 72.11 H new ATOM 0 HB3 ASN A 139 9.843 6.599 -9.253 1.00 72.11 H new ATOM 0 HD21 ASN A 139 9.284 9.877 -6.782 1.00 53.24 H new ATOM 0 HD22 ASN A 139 9.440 10.080 -8.530 1.00 53.24 H new ATOM 2289 N ARG A 140 10.216 7.657 -12.500 1.00 20.10 N ATOM 2290 CA ARG A 140 10.697 6.977 -13.714 1.00 50.00 C ATOM 2291 C ARG A 140 11.881 7.746 -14.316 1.00 62.23 C ATOM 2292 O ARG A 140 12.732 7.182 -15.002 1.00 74.24 O ATOM 2293 CB ARG A 140 9.572 6.869 -14.759 1.00 55.51 C ATOM 2294 CG ARG A 140 8.317 6.157 -14.263 1.00 24.24 C ATOM 2295 CD ARG A 140 7.224 6.136 -15.328 1.00 51.42 C ATOM 2296 NE ARG A 140 6.945 7.474 -15.860 1.00 24.51 N ATOM 2297 CZ ARG A 140 5.839 7.815 -16.467 1.00 52.32 C ATOM 2298 NH1 ARG A 140 4.850 6.982 -16.578 1.00 44.11 N ATOM 2299 NH2 ARG A 140 5.712 9.007 -16.945 1.00 64.54 N ATOM 0 H ARG A 140 9.332 8.153 -12.615 1.00 20.10 H new ATOM 0 HA ARG A 140 11.019 5.973 -13.437 1.00 50.00 H new ATOM 0 HB2 ARG A 140 9.300 7.872 -15.087 1.00 55.51 H new ATOM 0 HB3 ARG A 140 9.954 6.340 -15.633 1.00 55.51 H new ATOM 0 HG2 ARG A 140 8.567 5.135 -13.977 1.00 24.24 H new ATOM 0 HG3 ARG A 140 7.944 6.656 -13.368 1.00 24.24 H new ATOM 0 HD2 ARG A 140 7.526 5.478 -16.143 1.00 51.42 H new ATOM 0 HD3 ARG A 140 6.312 5.718 -14.902 1.00 51.42 H new ATOM 0 HE ARG A 140 7.664 8.188 -15.748 1.00 24.51 H new ATOM 0 HH11 ARG A 140 4.928 6.043 -16.188 1.00 44.11 H new ATOM 0 HH12 ARG A 140 3.995 7.267 -17.055 1.00 44.11 H new ATOM 0 HH21 ARG A 140 6.473 9.679 -16.848 1.00 64.54 H new ATOM 0 HH22 ARG A 140 4.850 9.277 -17.419 1.00 64.54 H new ATOM 2313 N ARG A 141 11.925 9.040 -14.021 1.00 33.31 N ATOM 2314 CA ARG A 141 12.940 9.950 -14.557 1.00 40.43 C ATOM 2315 C ARG A 141 14.230 9.939 -13.701 1.00 31.11 C ATOM 2316 O ARG A 141 15.143 10.738 -13.919 1.00 5.43 O ATOM 2317 CB ARG A 141 12.322 11.355 -14.611 1.00 14.24 C ATOM 2318 CG ARG A 141 13.115 12.394 -15.396 1.00 1.44 C ATOM 2319 CD ARG A 141 12.374 13.727 -15.412 1.00 23.10 C ATOM 2320 NE ARG A 141 13.113 14.785 -16.099 1.00 34.54 N ATOM 2321 CZ ARG A 141 13.025 16.048 -15.781 1.00 62.20 C ATOM 2322 NH1 ARG A 141 12.290 16.428 -14.786 1.00 54.33 N ATOM 2323 NH2 ARG A 141 13.683 16.935 -16.453 1.00 24.21 N ATOM 0 H ARG A 141 11.255 9.494 -13.400 1.00 33.31 H new ATOM 0 HA ARG A 141 13.236 9.627 -15.555 1.00 40.43 H new ATOM 0 HB2 ARG A 141 11.326 11.278 -15.048 1.00 14.24 H new ATOM 0 HB3 ARG A 141 12.195 11.716 -13.590 1.00 14.24 H new ATOM 0 HG2 ARG A 141 14.100 12.524 -14.948 1.00 1.44 H new ATOM 0 HG3 ARG A 141 13.272 12.046 -16.417 1.00 1.44 H new ATOM 0 HD2 ARG A 141 11.407 13.593 -15.898 1.00 23.10 H new ATOM 0 HD3 ARG A 141 12.175 14.038 -14.386 1.00 23.10 H new ATOM 0 HE ARG A 141 13.730 14.522 -16.868 1.00 34.54 H new ATOM 0 HH11 ARG A 141 11.772 15.738 -14.242 1.00 54.33 H new ATOM 0 HH12 ARG A 141 12.228 17.417 -14.546 1.00 54.33 H new ATOM 0 HH21 ARG A 141 14.273 16.649 -17.234 1.00 24.21 H new ATOM 0 HH22 ARG A 141 13.612 17.921 -16.202 1.00 24.21 H new