USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 945 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -80:sc= -1.75 USER MOD Set 1.2: A 68 GLN : amide:sc= -3.37 K(o=-8.1,f=-5.8!) USER MOD Set 1.3: A 86 LYS NZ :NH3+ -137:sc= -3.02 (180deg=-1.19!) USER MOD Set 2.1: A 32 MET CE :methyl -109:sc= -1.2 (180deg=-2.52!) USER MOD Set 2.2: A 34 CYS SG : rot 2:sc= -7.57! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 31 GLN : amide:sc= -3.1! C(o=-3.1!,f=-4.8!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc=-0.00672 (180deg=-0.103) USER MOD Single : A 42 THR OG1 : rot 118:sc= 0.223 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.98 K(o=-2,f=-0.012) USER MOD Single : A 45 SER OG : rot 18:sc= 1.1 USER MOD Single : A 57 ASN : amide:sc= -2.54! C(o=-2.5!,f=-10!) USER MOD Single : A 59 MET CE :methyl -152:sc= -0.469 (180deg=-1.12) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -150:sc= -0.0945 USER MOD Single : A 69 SER OG : rot 12:sc= -0.485 USER MOD Single : A 73 MET CE :methyl -120:sc= -5.44! (180deg=-6.01!) USER MOD Single : A 75 THR OG1 : rot -83:sc= -0.0742 USER MOD Single : A 76 GLN : amide:sc= -2.25! C(o=-2.3!,f=-2.6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.85 K(o=-1.9,f=-8.8!) USER MOD Single : A 85 THR OG1 : rot -160:sc= -0.144 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 MET CE :methyl -109:sc= -1.24 (180deg=-1.95) USER MOD Single : A 92 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -152:sc= -0.17 (180deg=-0.645) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -7.24! C(o=-7.2!,f=-11!) USER MOD Single : A 104 THR OG1 : rot -65:sc= -0.339 USER MOD Single : A 106 MET CE :methyl -174:sc= 0 (180deg=-0.0848) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -135:sc= -0.593 (180deg=-2.32!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 101:sc= -1.64 USER MOD Single : A 127 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-4.7!) USER MOD Single : A 134 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.3) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 364 N SER A 27 0.218 5.570 -11.651 1.00 0.00 N ATOM 365 CA SER A 27 0.780 6.903 -11.842 1.00 0.00 C ATOM 366 C SER A 27 1.891 7.172 -10.832 1.00 0.00 C ATOM 367 O SER A 27 1.866 6.663 -9.713 1.00 0.00 O ATOM 368 CB SER A 27 -0.314 7.964 -11.711 1.00 0.00 C ATOM 369 OG SER A 27 -1.104 8.030 -12.885 1.00 0.00 O ATOM 0 HA SER A 27 1.205 6.953 -12.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.948 7.733 -10.855 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.139 8.936 -11.519 1.00 0.00 H new ATOM 0 HG SER A 27 -1.797 8.714 -12.775 1.00 0.00 H new ATOM 375 N ASN A 28 2.867 7.979 -11.238 1.00 0.00 N ATOM 376 CA ASN A 28 3.989 8.317 -10.369 1.00 0.00 C ATOM 377 C ASN A 28 4.017 9.814 -10.075 1.00 0.00 C ATOM 378 O ASN A 28 4.184 10.632 -10.979 1.00 0.00 O ATOM 379 CB ASN A 28 5.308 7.889 -11.015 1.00 0.00 C ATOM 380 CG ASN A 28 6.502 8.140 -10.114 1.00 0.00 C ATOM 381 OD1 ASN A 28 7.381 8.939 -10.438 1.00 0.00 O ATOM 382 ND2 ASN A 28 6.537 7.458 -8.976 1.00 0.00 N ATOM 0 H ASN A 28 2.903 8.410 -12.162 1.00 0.00 H new ATOM 0 HA ASN A 28 3.862 7.782 -9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.260 6.829 -11.263 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.443 8.430 -11.952 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.315 7.586 -8.329 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.786 6.806 -8.749 1.00 0.00 H new ATOM 389 N VAL A 29 3.852 10.164 -8.803 1.00 0.00 N ATOM 390 CA VAL A 29 3.860 11.563 -8.388 1.00 0.00 C ATOM 391 C VAL A 29 5.233 11.974 -7.871 1.00 0.00 C ATOM 392 O VAL A 29 5.635 13.132 -7.998 1.00 0.00 O ATOM 393 CB VAL A 29 2.810 11.828 -7.293 1.00 0.00 C ATOM 394 CG1 VAL A 29 3.091 10.975 -6.066 1.00 0.00 C ATOM 395 CG2 VAL A 29 2.781 13.305 -6.930 1.00 0.00 C ATOM 0 H VAL A 29 3.711 9.499 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 29 3.614 12.157 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 29 1.829 11.553 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.339 11.176 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.057 9.921 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.079 11.216 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.034 13.475 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.761 13.608 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.528 13.892 -7.813 1.00 0.00 H new ATOM 405 N LEU A 30 5.950 11.020 -7.287 1.00 0.00 N ATOM 406 CA LEU A 30 7.281 11.284 -6.750 1.00 0.00 C ATOM 407 C LEU A 30 8.007 9.980 -6.433 1.00 0.00 C ATOM 408 O LEU A 30 7.443 9.081 -5.811 1.00 0.00 O ATOM 409 CB LEU A 30 7.183 12.146 -5.490 1.00 0.00 C ATOM 410 CG LEU A 30 6.674 11.440 -4.232 1.00 0.00 C ATOM 411 CD1 LEU A 30 7.808 10.704 -3.538 1.00 0.00 C ATOM 412 CD2 LEU A 30 6.026 12.441 -3.286 1.00 0.00 C ATOM 0 H LEU A 30 5.633 10.057 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 30 7.852 11.822 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.170 12.557 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.525 12.989 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 30 5.921 10.709 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.427 10.208 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.228 9.960 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.584 11.415 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.669 11.922 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.758 13.195 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.186 12.923 -3.786 1.00 0.00 H new ATOM 424 N GLN A 31 9.261 9.888 -6.863 1.00 0.00 N ATOM 425 CA GLN A 31 10.065 8.696 -6.623 1.00 0.00 C ATOM 426 C GLN A 31 11.445 9.067 -6.090 1.00 0.00 C ATOM 427 O GLN A 31 12.051 10.041 -6.537 1.00 0.00 O ATOM 428 CB GLN A 31 10.205 7.881 -7.910 1.00 0.00 C ATOM 429 CG GLN A 31 11.147 6.696 -7.782 1.00 0.00 C ATOM 430 CD GLN A 31 11.212 5.862 -9.046 1.00 0.00 C ATOM 431 OE1 GLN A 31 10.244 5.194 -9.413 1.00 0.00 O ATOM 432 NE2 GLN A 31 12.356 5.895 -9.720 1.00 0.00 N ATOM 0 H GLN A 31 9.742 10.625 -7.379 1.00 0.00 H new ATOM 0 HA GLN A 31 9.556 8.092 -5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.221 7.521 -8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.563 8.534 -8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.146 7.056 -7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.823 6.067 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.132 6.462 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.458 5.353 -10.578 1.00 0.00 H new ATOM 441 N MET A 32 11.935 8.285 -5.134 1.00 0.00 N ATOM 442 CA MET A 32 13.244 8.532 -4.541 1.00 0.00 C ATOM 443 C MET A 32 13.735 7.308 -3.777 1.00 0.00 C ATOM 444 O MET A 32 12.971 6.673 -3.050 1.00 0.00 O ATOM 445 CB MET A 32 13.185 9.742 -3.607 1.00 0.00 C ATOM 446 CG MET A 32 12.293 9.529 -2.394 1.00 0.00 C ATOM 447 SD MET A 32 13.185 8.833 -0.990 1.00 0.00 S ATOM 448 CE MET A 32 11.976 9.038 0.315 1.00 0.00 C ATOM 0 H MET A 32 11.445 7.475 -4.753 1.00 0.00 H new ATOM 0 HA MET A 32 13.947 8.740 -5.348 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.194 9.980 -3.269 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.824 10.605 -4.166 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.850 10.481 -2.102 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.472 8.865 -2.664 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.309 9.818 1.000 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.017 9.321 -0.119 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.865 8.100 0.859 1.00 0.00 H new ATOM 458 N GLN A 33 15.013 6.981 -3.947 1.00 0.00 N ATOM 459 CA GLN A 33 15.603 5.832 -3.273 1.00 0.00 C ATOM 460 C GLN A 33 15.594 6.024 -1.760 1.00 0.00 C ATOM 461 O GLN A 33 16.067 7.039 -1.250 1.00 0.00 O ATOM 462 CB GLN A 33 17.035 5.608 -3.761 1.00 0.00 C ATOM 463 CG GLN A 33 17.124 5.233 -5.232 1.00 0.00 C ATOM 464 CD GLN A 33 18.318 4.351 -5.538 1.00 0.00 C ATOM 465 OE1 GLN A 33 19.463 4.805 -5.511 1.00 0.00 O ATOM 466 NE2 GLN A 33 18.058 3.081 -5.831 1.00 0.00 N ATOM 0 H GLN A 33 15.658 7.496 -4.546 1.00 0.00 H new ATOM 0 HA GLN A 33 15.003 4.955 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 33 17.615 6.515 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 33 17.494 4.819 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 33 16.211 4.717 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 33 17.185 6.141 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 33 17.094 2.747 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.822 2.440 -6.045 1.00 0.00 H new ATOM 475 N CYS A 34 15.052 5.042 -1.047 1.00 0.00 N ATOM 476 CA CYS A 34 14.979 5.104 0.409 1.00 0.00 C ATOM 477 C CYS A 34 15.157 3.718 1.021 1.00 0.00 C ATOM 478 O CYS A 34 15.348 2.732 0.308 1.00 0.00 O ATOM 479 CB CYS A 34 13.643 5.702 0.849 1.00 0.00 C ATOM 480 SG CYS A 34 13.720 6.616 2.406 1.00 0.00 S ATOM 0 H CYS A 34 14.657 4.194 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 34 15.788 5.744 0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.280 6.369 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.913 4.899 0.947 1.00 0.00 H new ATOM 0 HG CYS A 34 14.944 6.624 2.844 1.00 0.00 H new ATOM 486 N LYS A 35 15.093 3.650 2.346 1.00 0.00 N ATOM 487 CA LYS A 35 15.247 2.386 3.056 1.00 0.00 C ATOM 488 C LYS A 35 14.072 2.146 4.000 1.00 0.00 C ATOM 489 O LYS A 35 13.402 3.087 4.426 1.00 0.00 O ATOM 490 CB LYS A 35 16.559 2.376 3.845 1.00 0.00 C ATOM 491 CG LYS A 35 17.792 2.545 2.975 1.00 0.00 C ATOM 492 CD LYS A 35 18.921 3.222 3.734 1.00 0.00 C ATOM 493 CE LYS A 35 20.281 2.834 3.175 1.00 0.00 C ATOM 494 NZ LYS A 35 21.336 3.814 3.551 1.00 0.00 N ATOM 0 H LYS A 35 14.935 4.456 2.951 1.00 0.00 H new ATOM 0 HA LYS A 35 15.268 1.584 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.534 3.176 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.637 1.437 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.125 1.570 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.539 3.135 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.800 4.304 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.868 2.948 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.556 1.846 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.221 2.764 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.248 3.513 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.087 4.752 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.412 3.862 4.587 1.00 0.00 H new ATOM 508 N LEU A 36 13.830 0.880 4.323 1.00 0.00 N ATOM 509 CA LEU A 36 12.736 0.516 5.217 1.00 0.00 C ATOM 510 C LEU A 36 13.263 -0.202 6.456 1.00 0.00 C ATOM 511 O LEU A 36 14.169 -1.031 6.368 1.00 0.00 O ATOM 512 CB LEU A 36 11.729 -0.374 4.488 1.00 0.00 C ATOM 513 CG LEU A 36 10.349 -0.496 5.136 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.506 0.732 4.833 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.646 -1.759 4.659 1.00 0.00 C ATOM 0 H LEU A 36 14.376 0.090 3.980 1.00 0.00 H new ATOM 0 HA LEU A 36 12.238 1.432 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.601 0.010 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.156 -1.373 4.398 1.00 0.00 H new ATOM 0 HG LEU A 36 10.481 -0.563 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.528 0.627 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.003 1.620 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.382 0.831 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.666 -1.830 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.526 -1.722 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.242 -2.631 4.929 1.00 0.00 H new ATOM 527 N PHE A 37 12.687 0.119 7.610 1.00 0.00 N ATOM 528 CA PHE A 37 13.097 -0.496 8.866 1.00 0.00 C ATOM 529 C PHE A 37 11.888 -0.778 9.755 1.00 0.00 C ATOM 530 O PHE A 37 10.981 0.047 9.868 1.00 0.00 O ATOM 531 CB PHE A 37 14.085 0.410 9.604 1.00 0.00 C ATOM 532 CG PHE A 37 15.185 0.937 8.728 1.00 0.00 C ATOM 533 CD1 PHE A 37 15.941 0.075 7.948 1.00 0.00 C ATOM 534 CD2 PHE A 37 15.464 2.293 8.683 1.00 0.00 C ATOM 535 CE1 PHE A 37 16.953 0.556 7.140 1.00 0.00 C ATOM 536 CE2 PHE A 37 16.475 2.780 7.876 1.00 0.00 C ATOM 537 CZ PHE A 37 17.222 1.910 7.105 1.00 0.00 C ATOM 0 H PHE A 37 11.935 0.802 7.701 1.00 0.00 H new ATOM 0 HA PHE A 37 13.585 -1.443 8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.542 1.250 10.036 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.525 -0.145 10.432 1.00 0.00 H new ATOM 0 HD1 PHE A 37 15.736 -0.985 7.973 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.885 2.977 9.285 1.00 0.00 H new ATOM 0 HE1 PHE A 37 17.533 -0.126 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 37 16.681 3.840 7.848 1.00 0.00 H new ATOM 0 HZ PHE A 37 18.015 2.288 6.476 1.00 0.00 H new ATOM 547 N VAL A 38 11.882 -1.950 10.381 1.00 0.00 N ATOM 548 CA VAL A 38 10.786 -2.343 11.259 1.00 0.00 C ATOM 549 C VAL A 38 11.291 -2.651 12.665 1.00 0.00 C ATOM 550 O VAL A 38 12.446 -3.033 12.850 1.00 0.00 O ATOM 551 CB VAL A 38 10.042 -3.574 10.711 1.00 0.00 C ATOM 552 CG1 VAL A 38 9.185 -3.191 9.513 1.00 0.00 C ATOM 553 CG2 VAL A 38 11.027 -4.672 10.342 1.00 0.00 C ATOM 0 H VAL A 38 12.624 -2.645 10.297 1.00 0.00 H new ATOM 0 HA VAL A 38 10.096 -1.500 11.301 1.00 0.00 H new ATOM 0 HB VAL A 38 9.384 -3.955 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.667 -4.074 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.453 -2.441 9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.820 -2.783 8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.483 -5.534 9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.712 -4.304 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.593 -4.966 11.226 1.00 0.00 H new ATOM 563 N PHE A 39 10.417 -2.484 13.651 1.00 0.00 N ATOM 564 CA PHE A 39 10.773 -2.744 15.040 1.00 0.00 C ATOM 565 C PHE A 39 10.466 -4.190 15.419 1.00 0.00 C ATOM 566 O PHE A 39 9.369 -4.688 15.167 1.00 0.00 O ATOM 567 CB PHE A 39 10.022 -1.790 15.970 1.00 0.00 C ATOM 568 CG PHE A 39 10.419 -1.920 17.413 1.00 0.00 C ATOM 569 CD1 PHE A 39 9.832 -2.877 18.223 1.00 0.00 C ATOM 570 CD2 PHE A 39 11.379 -1.082 17.958 1.00 0.00 C ATOM 571 CE1 PHE A 39 10.198 -3.000 19.551 1.00 0.00 C ATOM 572 CE2 PHE A 39 11.748 -1.200 19.285 1.00 0.00 C ATOM 573 CZ PHE A 39 11.156 -2.159 20.083 1.00 0.00 C ATOM 0 H PHE A 39 9.456 -2.170 13.514 1.00 0.00 H new ATOM 0 HA PHE A 39 11.845 -2.578 15.151 1.00 0.00 H new ATOM 0 HB2 PHE A 39 10.198 -0.765 15.644 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.952 -1.974 15.878 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.080 -3.535 17.813 1.00 0.00 H new ATOM 0 HD2 PHE A 39 11.844 -0.329 17.339 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.735 -3.753 20.172 1.00 0.00 H new ATOM 0 HE2 PHE A 39 12.499 -0.542 19.697 1.00 0.00 H new ATOM 0 HZ PHE A 39 11.441 -2.251 21.121 1.00 0.00 H new ATOM 583 N ASP A 40 11.442 -4.857 16.027 1.00 0.00 N ATOM 584 CA ASP A 40 11.276 -6.244 16.441 1.00 0.00 C ATOM 585 C ASP A 40 11.589 -6.409 17.925 1.00 0.00 C ATOM 586 O ASP A 40 12.749 -6.372 18.334 1.00 0.00 O ATOM 587 CB ASP A 40 12.180 -7.158 15.612 1.00 0.00 C ATOM 588 CG ASP A 40 11.733 -8.606 15.652 1.00 0.00 C ATOM 589 OD1 ASP A 40 10.508 -8.848 15.671 1.00 0.00 O ATOM 590 OD2 ASP A 40 12.607 -9.498 15.665 1.00 0.00 O ATOM 0 H ASP A 40 12.356 -4.459 16.243 1.00 0.00 H new ATOM 0 HA ASP A 40 10.236 -6.525 16.273 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.191 -6.813 14.578 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.202 -7.086 15.983 1.00 0.00 H new ATOM 595 N LYS A 41 10.545 -6.591 18.727 1.00 0.00 N ATOM 596 CA LYS A 41 10.707 -6.763 20.166 1.00 0.00 C ATOM 597 C LYS A 41 11.940 -7.604 20.480 1.00 0.00 C ATOM 598 O LYS A 41 12.535 -7.480 21.550 1.00 0.00 O ATOM 599 CB LYS A 41 9.462 -7.419 20.766 1.00 0.00 C ATOM 600 CG LYS A 41 9.199 -7.021 22.208 1.00 0.00 C ATOM 601 CD LYS A 41 7.723 -7.116 22.553 1.00 0.00 C ATOM 602 CE LYS A 41 6.987 -5.828 22.214 1.00 0.00 C ATOM 603 NZ LYS A 41 7.305 -4.738 23.178 1.00 0.00 N ATOM 0 H LYS A 41 9.578 -6.623 18.405 1.00 0.00 H new ATOM 0 HA LYS A 41 10.840 -5.777 20.611 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.595 -7.154 20.161 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.570 -8.502 20.711 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.771 -7.666 22.874 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.547 -6.002 22.374 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.274 -7.947 22.009 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.610 -7.332 23.615 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.255 -5.511 21.206 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.913 -6.012 22.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.620 -3.963 23.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.252 -5.107 24.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.265 -4.382 22.995 1.00 0.00 H new ATOM 617 N THR A 42 12.320 -8.462 19.537 1.00 0.00 N ATOM 618 CA THR A 42 13.482 -9.325 19.712 1.00 0.00 C ATOM 619 C THR A 42 14.752 -8.503 19.908 1.00 0.00 C ATOM 620 O THR A 42 15.534 -8.760 20.823 1.00 0.00 O ATOM 621 CB THR A 42 13.672 -10.263 18.505 1.00 0.00 C ATOM 622 OG1 THR A 42 12.456 -10.971 18.238 1.00 0.00 O ATOM 623 CG2 THR A 42 14.797 -11.254 18.763 1.00 0.00 C ATOM 0 H THR A 42 11.840 -8.577 18.645 1.00 0.00 H new ATOM 0 HA THR A 42 13.299 -9.925 20.603 1.00 0.00 H new ATOM 0 HB THR A 42 13.935 -9.656 17.639 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.133 -10.740 17.342 1.00 0.00 H new ATOM 0 HG21 THR A 42 14.913 -11.906 17.897 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.727 -10.712 18.936 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.558 -11.855 19.641 1.00 0.00 H new ATOM 631 N SER A 43 14.951 -7.514 19.042 1.00 0.00 N ATOM 632 CA SER A 43 16.128 -6.656 19.119 1.00 0.00 C ATOM 633 C SER A 43 15.819 -5.379 19.893 1.00 0.00 C ATOM 634 O SER A 43 16.719 -4.734 20.431 1.00 0.00 O ATOM 635 CB SER A 43 16.623 -6.309 17.714 1.00 0.00 C ATOM 636 OG SER A 43 17.507 -7.303 17.224 1.00 0.00 O ATOM 0 H SER A 43 14.313 -7.287 18.279 1.00 0.00 H new ATOM 0 HA SER A 43 16.911 -7.199 19.648 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.772 -6.210 17.040 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.130 -5.344 17.732 1.00 0.00 H new ATOM 0 HG SER A 43 17.808 -7.058 16.324 1.00 0.00 H new ATOM 642 N GLN A 44 14.541 -5.018 19.942 1.00 0.00 N ATOM 643 CA GLN A 44 14.114 -3.817 20.649 1.00 0.00 C ATOM 644 C GLN A 44 14.636 -2.563 19.956 1.00 0.00 C ATOM 645 O GLN A 44 14.936 -1.561 20.606 1.00 0.00 O ATOM 646 CB GLN A 44 14.600 -3.852 22.099 1.00 0.00 C ATOM 647 CG GLN A 44 14.281 -5.154 22.816 1.00 0.00 C ATOM 648 CD GLN A 44 12.946 -5.115 23.532 1.00 0.00 C ATOM 649 OE1 GLN A 44 12.882 -5.224 24.756 1.00 0.00 O ATOM 650 NE2 GLN A 44 11.870 -4.956 22.770 1.00 0.00 N ATOM 0 H GLN A 44 13.784 -5.540 19.501 1.00 0.00 H new ATOM 0 HA GLN A 44 13.024 -3.789 20.639 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.678 -3.692 22.116 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.146 -3.025 22.646 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.278 -5.970 22.094 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.069 -5.370 23.537 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.970 -4.870 21.759 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.944 -4.920 23.196 1.00 0.00 H new ATOM 659 N SER A 45 14.742 -2.624 18.632 1.00 0.00 N ATOM 660 CA SER A 45 15.232 -1.494 17.851 1.00 0.00 C ATOM 661 C SER A 45 14.853 -1.645 16.381 1.00 0.00 C ATOM 662 O SER A 45 14.170 -2.597 15.999 1.00 0.00 O ATOM 663 CB SER A 45 16.751 -1.375 17.987 1.00 0.00 C ATOM 664 OG SER A 45 17.108 -0.802 19.233 1.00 0.00 O ATOM 0 H SER A 45 14.495 -3.444 18.078 1.00 0.00 H new ATOM 0 HA SER A 45 14.767 -0.587 18.237 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.206 -2.361 17.893 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.145 -0.763 17.176 1.00 0.00 H new ATOM 0 HG SER A 45 16.352 -0.870 19.853 1.00 0.00 H new ATOM 670 N TRP A 46 15.299 -0.701 15.562 1.00 0.00 N ATOM 671 CA TRP A 46 15.006 -0.727 14.133 1.00 0.00 C ATOM 672 C TRP A 46 15.877 -1.755 13.418 1.00 0.00 C ATOM 673 O TRP A 46 17.100 -1.748 13.554 1.00 0.00 O ATOM 674 CB TRP A 46 15.222 0.658 13.522 1.00 0.00 C ATOM 675 CG TRP A 46 14.420 1.734 14.188 1.00 0.00 C ATOM 676 CD1 TRP A 46 14.904 2.828 14.846 1.00 0.00 C ATOM 677 CD2 TRP A 46 12.993 1.816 14.264 1.00 0.00 C ATOM 678 NE1 TRP A 46 13.863 3.586 15.326 1.00 0.00 N ATOM 679 CE2 TRP A 46 12.681 2.988 14.981 1.00 0.00 C ATOM 680 CE3 TRP A 46 11.948 1.016 13.794 1.00 0.00 C ATOM 681 CZ2 TRP A 46 11.369 3.375 15.239 1.00 0.00 C ATOM 682 CZ3 TRP A 46 10.647 1.401 14.051 1.00 0.00 C ATOM 683 CH2 TRP A 46 10.366 2.573 14.768 1.00 0.00 C ATOM 0 H TRP A 46 15.865 0.093 15.862 1.00 0.00 H new ATOM 0 HA TRP A 46 13.962 -1.012 14.006 1.00 0.00 H new ATOM 0 HB2 TRP A 46 16.280 0.913 13.583 1.00 0.00 H new ATOM 0 HB3 TRP A 46 14.963 0.624 12.464 1.00 0.00 H new ATOM 0 HD1 TRP A 46 15.951 3.063 14.971 1.00 0.00 H new ATOM 0 HE1 TRP A 46 13.956 4.454 15.854 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.154 0.112 13.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 11.151 4.277 15.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.832 0.789 13.694 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.338 2.848 14.952 1.00 0.00 H new ATOM 694 N VAL A 47 15.239 -2.636 12.655 1.00 0.00 N ATOM 695 CA VAL A 47 15.956 -3.669 11.917 1.00 0.00 C ATOM 696 C VAL A 47 15.751 -3.514 10.414 1.00 0.00 C ATOM 697 O VAL A 47 14.733 -2.984 9.968 1.00 0.00 O ATOM 698 CB VAL A 47 15.505 -5.079 12.342 1.00 0.00 C ATOM 699 CG1 VAL A 47 16.179 -6.137 11.484 1.00 0.00 C ATOM 700 CG2 VAL A 47 15.800 -5.309 13.817 1.00 0.00 C ATOM 0 H VAL A 47 14.227 -2.655 12.532 1.00 0.00 H new ATOM 0 HA VAL A 47 17.014 -3.548 12.151 1.00 0.00 H new ATOM 0 HB VAL A 47 14.428 -5.158 12.193 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.848 -7.126 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.913 -5.981 10.439 1.00 0.00 H new ATOM 0 HG13 VAL A 47 17.261 -6.063 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.475 -6.310 14.101 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.871 -5.211 13.993 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.265 -4.571 14.414 1.00 0.00 H new ATOM 710 N GLU A 48 16.724 -3.980 9.638 1.00 0.00 N ATOM 711 CA GLU A 48 16.649 -3.893 8.185 1.00 0.00 C ATOM 712 C GLU A 48 15.610 -4.865 7.634 1.00 0.00 C ATOM 713 O GLU A 48 15.764 -6.082 7.744 1.00 0.00 O ATOM 714 CB GLU A 48 18.017 -4.184 7.563 1.00 0.00 C ATOM 715 CG GLU A 48 18.091 -3.865 6.079 1.00 0.00 C ATOM 716 CD GLU A 48 19.516 -3.681 5.592 1.00 0.00 C ATOM 717 OE1 GLU A 48 20.241 -2.851 6.179 1.00 0.00 O ATOM 718 OE2 GLU A 48 19.906 -4.369 4.625 1.00 0.00 O ATOM 0 H GLU A 48 17.573 -4.421 9.991 1.00 0.00 H new ATOM 0 HA GLU A 48 16.347 -2.879 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.776 -3.605 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.258 -5.236 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.619 -4.669 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.522 -2.957 5.877 1.00 0.00 H new ATOM 725 N ARG A 49 14.554 -4.320 7.040 1.00 0.00 N ATOM 726 CA ARG A 49 13.488 -5.138 6.474 1.00 0.00 C ATOM 727 C ARG A 49 13.568 -5.155 4.950 1.00 0.00 C ATOM 728 O ARG A 49 13.419 -6.203 4.322 1.00 0.00 O ATOM 729 CB ARG A 49 12.122 -4.612 6.918 1.00 0.00 C ATOM 730 CG ARG A 49 11.056 -5.692 7.012 1.00 0.00 C ATOM 731 CD ARG A 49 10.924 -6.461 5.707 1.00 0.00 C ATOM 732 NE ARG A 49 9.650 -7.169 5.616 1.00 0.00 N ATOM 733 CZ ARG A 49 9.355 -8.027 4.646 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.237 -8.282 3.691 1.00 0.00 N ATOM 735 NH2 ARG A 49 8.174 -8.632 4.632 1.00 0.00 N ATOM 0 H ARG A 49 14.413 -3.315 6.938 1.00 0.00 H new ATOM 0 HA ARG A 49 13.613 -6.157 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.226 -4.130 7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.791 -3.846 6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.306 -6.382 7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.098 -5.238 7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.016 -5.771 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.743 -7.176 5.623 1.00 0.00 H new ATOM 0 HE ARG A 49 8.949 -6.995 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.146 -7.819 3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.007 -8.941 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.493 -8.438 5.366 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.947 -9.291 3.887 1.00 0.00 H new ATOM 749 N GLY A 50 13.805 -3.986 4.361 1.00 0.00 N ATOM 750 CA GLY A 50 13.900 -3.889 2.917 1.00 0.00 C ATOM 751 C GLY A 50 14.312 -2.506 2.455 1.00 0.00 C ATOM 752 O GLY A 50 13.602 -1.528 2.690 1.00 0.00 O ATOM 0 H GLY A 50 13.933 -3.105 4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.622 -4.620 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.937 -4.145 2.475 1.00 0.00 H new ATOM 756 N ARG A 51 15.462 -2.422 1.794 1.00 0.00 N ATOM 757 CA ARG A 51 15.969 -1.148 1.301 1.00 0.00 C ATOM 758 C ARG A 51 16.028 -1.140 -0.224 1.00 0.00 C ATOM 759 O ARG A 51 16.375 -2.142 -0.847 1.00 0.00 O ATOM 760 CB ARG A 51 17.359 -0.869 1.877 1.00 0.00 C ATOM 761 CG ARG A 51 18.357 -1.988 1.627 1.00 0.00 C ATOM 762 CD ARG A 51 19.615 -1.808 2.463 1.00 0.00 C ATOM 763 NE ARG A 51 20.783 -2.416 1.831 1.00 0.00 N ATOM 764 CZ ARG A 51 21.329 -1.965 0.708 1.00 0.00 C ATOM 765 NH1 ARG A 51 20.816 -0.906 0.096 1.00 0.00 N ATOM 766 NH2 ARG A 51 22.391 -2.572 0.195 1.00 0.00 N ATOM 0 H ARG A 51 16.060 -3.222 1.588 1.00 0.00 H new ATOM 0 HA ARG A 51 15.285 -0.364 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.744 0.054 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.272 -0.704 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.896 -2.947 1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.621 -2.012 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.799 -0.745 2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 51 19.463 -2.252 3.447 1.00 0.00 H new ATOM 0 HE ARG A 51 21.202 -3.232 2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 51 20.000 -0.436 0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 51 21.237 -0.562 -0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 51 22.789 -3.386 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 51 22.810 -2.225 -0.668 1.00 0.00 H new ATOM 780 N GLY A 52 15.686 -0.001 -0.819 1.00 0.00 N ATOM 781 CA GLY A 52 15.706 0.115 -2.265 1.00 0.00 C ATOM 782 C GLY A 52 15.056 1.395 -2.754 1.00 0.00 C ATOM 783 O GLY A 52 15.411 2.488 -2.311 1.00 0.00 O ATOM 0 H GLY A 52 15.396 0.843 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.738 0.079 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 52 15.191 -0.740 -2.702 1.00 0.00 H new ATOM 787 N LEU A 53 14.102 1.260 -3.668 1.00 0.00 N ATOM 788 CA LEU A 53 13.401 2.415 -4.218 1.00 0.00 C ATOM 789 C LEU A 53 12.022 2.568 -3.584 1.00 0.00 C ATOM 790 O LEU A 53 11.356 1.580 -3.273 1.00 0.00 O ATOM 791 CB LEU A 53 13.264 2.277 -5.735 1.00 0.00 C ATOM 792 CG LEU A 53 12.391 3.325 -6.428 1.00 0.00 C ATOM 793 CD1 LEU A 53 13.035 4.700 -6.340 1.00 0.00 C ATOM 794 CD2 LEU A 53 12.146 2.940 -7.880 1.00 0.00 C ATOM 0 H LEU A 53 13.796 0.363 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 53 13.986 3.306 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.261 2.315 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.856 1.290 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 53 11.429 3.364 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.399 5.432 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.157 4.978 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.011 4.676 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.523 3.697 -8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.099 2.871 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.640 1.976 -7.920 1.00 0.00 H new ATOM 806 N LEU A 54 11.599 3.813 -3.396 1.00 0.00 N ATOM 807 CA LEU A 54 10.298 4.097 -2.800 1.00 0.00 C ATOM 808 C LEU A 54 9.602 5.241 -3.530 1.00 0.00 C ATOM 809 O LEU A 54 10.201 6.289 -3.777 1.00 0.00 O ATOM 810 CB LEU A 54 10.457 4.444 -1.319 1.00 0.00 C ATOM 811 CG LEU A 54 9.226 5.036 -0.632 1.00 0.00 C ATOM 812 CD1 LEU A 54 8.372 3.932 -0.026 1.00 0.00 C ATOM 813 CD2 LEU A 54 9.640 6.038 0.435 1.00 0.00 C ATOM 0 H LEU A 54 12.138 4.642 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 54 9.682 3.203 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.747 3.540 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.280 5.152 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 54 8.632 5.559 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.500 4.371 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.046 3.251 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.958 3.382 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.751 6.449 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.256 5.539 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.210 6.845 -0.025 1.00 0.00 H new ATOM 825 N ARG A 55 8.335 5.036 -3.873 1.00 0.00 N ATOM 826 CA ARG A 55 7.558 6.050 -4.574 1.00 0.00 C ATOM 827 C ARG A 55 6.073 5.922 -4.245 1.00 0.00 C ATOM 828 O ARG A 55 5.583 4.831 -3.949 1.00 0.00 O ATOM 829 CB ARG A 55 7.769 5.931 -6.084 1.00 0.00 C ATOM 830 CG ARG A 55 7.070 4.732 -6.704 1.00 0.00 C ATOM 831 CD ARG A 55 7.928 3.480 -6.616 1.00 0.00 C ATOM 832 NE ARG A 55 7.355 2.369 -7.371 1.00 0.00 N ATOM 833 CZ ARG A 55 7.334 2.316 -8.698 1.00 0.00 C ATOM 834 NH1 ARG A 55 7.851 3.306 -9.413 1.00 0.00 N ATOM 835 NH2 ARG A 55 6.794 1.272 -9.313 1.00 0.00 N ATOM 0 H ARG A 55 7.824 4.175 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 55 7.903 7.029 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.409 6.840 -6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.837 5.864 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.121 4.560 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.839 4.944 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.927 3.698 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.039 3.189 -5.571 1.00 0.00 H new ATOM 0 HE ARG A 55 6.949 1.591 -6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.266 4.111 -8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.833 3.262 -10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.394 0.509 -8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.778 1.232 -10.332 1.00 0.00 H new ATOM 849 N LEU A 56 5.362 7.042 -4.297 1.00 0.00 N ATOM 850 CA LEU A 56 3.932 7.057 -4.005 1.00 0.00 C ATOM 851 C LEU A 56 3.115 6.839 -5.274 1.00 0.00 C ATOM 852 O LEU A 56 3.095 7.688 -6.164 1.00 0.00 O ATOM 853 CB LEU A 56 3.538 8.382 -3.352 1.00 0.00 C ATOM 854 CG LEU A 56 2.051 8.731 -3.385 1.00 0.00 C ATOM 855 CD1 LEU A 56 1.325 8.092 -2.212 1.00 0.00 C ATOM 856 CD2 LEU A 56 1.856 10.241 -3.377 1.00 0.00 C ATOM 0 H LEU A 56 5.752 7.953 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 56 3.719 6.242 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.863 8.362 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.090 9.184 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 56 1.626 8.335 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.267 8.352 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.434 7.009 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.752 8.456 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.791 10.470 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.297 10.660 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.340 10.675 -4.252 1.00 0.00 H new ATOM 868 N ASN A 57 2.441 5.696 -5.348 1.00 0.00 N ATOM 869 CA ASN A 57 1.619 5.368 -6.507 1.00 0.00 C ATOM 870 C ASN A 57 0.177 5.819 -6.298 1.00 0.00 C ATOM 871 O ASN A 57 -0.400 5.613 -5.230 1.00 0.00 O ATOM 872 CB ASN A 57 1.660 3.863 -6.778 1.00 0.00 C ATOM 873 CG ASN A 57 1.562 3.044 -5.505 1.00 0.00 C ATOM 874 OD1 ASN A 57 1.407 3.590 -4.412 1.00 0.00 O ATOM 875 ND2 ASN A 57 1.653 1.725 -5.641 1.00 0.00 N ATOM 0 H ASN A 57 2.448 4.982 -4.620 1.00 0.00 H new ATOM 0 HA ASN A 57 2.025 5.897 -7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.840 3.594 -7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.586 3.615 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.595 1.122 -4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.781 1.315 -6.566 1.00 0.00 H new ATOM 882 N ASP A 58 -0.400 6.435 -7.324 1.00 0.00 N ATOM 883 CA ASP A 58 -1.775 6.914 -7.254 1.00 0.00 C ATOM 884 C ASP A 58 -2.742 5.871 -7.804 1.00 0.00 C ATOM 885 O ASP A 58 -2.444 5.189 -8.785 1.00 0.00 O ATOM 886 CB ASP A 58 -1.922 8.224 -8.030 1.00 0.00 C ATOM 887 CG ASP A 58 -3.251 8.322 -8.753 1.00 0.00 C ATOM 888 OD1 ASP A 58 -3.524 7.459 -9.614 1.00 0.00 O ATOM 889 OD2 ASP A 58 -4.018 9.263 -8.459 1.00 0.00 O ATOM 0 H ASP A 58 0.064 6.614 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.019 7.093 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.823 9.064 -7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.111 8.307 -8.753 1.00 0.00 H new ATOM 894 N MET A 59 -3.902 5.751 -7.165 1.00 0.00 N ATOM 895 CA MET A 59 -4.913 4.791 -7.592 1.00 0.00 C ATOM 896 C MET A 59 -6.310 5.261 -7.198 1.00 0.00 C ATOM 897 O MET A 59 -6.487 5.915 -6.171 1.00 0.00 O ATOM 898 CB MET A 59 -4.634 3.417 -6.977 1.00 0.00 C ATOM 899 CG MET A 59 -4.936 3.343 -5.490 1.00 0.00 C ATOM 900 SD MET A 59 -4.502 1.747 -4.772 1.00 0.00 S ATOM 901 CE MET A 59 -5.083 1.963 -3.092 1.00 0.00 C ATOM 0 H MET A 59 -4.164 6.306 -6.351 1.00 0.00 H new ATOM 0 HA MET A 59 -4.867 4.712 -8.678 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.230 2.667 -7.498 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.587 3.161 -7.140 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.389 4.131 -4.972 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.997 3.533 -5.329 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.491 1.343 -2.420 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.982 3.009 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.131 1.669 -3.029 1.00 0.00 H new ATOM 911 N ALA A 60 -7.297 4.924 -8.021 1.00 0.00 N ATOM 912 CA ALA A 60 -8.677 5.311 -7.757 1.00 0.00 C ATOM 913 C ALA A 60 -9.359 4.313 -6.828 1.00 0.00 C ATOM 914 O ALA A 60 -9.004 3.135 -6.798 1.00 0.00 O ATOM 915 CB ALA A 60 -9.450 5.432 -9.063 1.00 0.00 C ATOM 0 H ALA A 60 -7.167 4.384 -8.876 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.668 6.282 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.479 5.722 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.983 6.188 -9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.442 4.473 -9.581 1.00 0.00 H new ATOM 921 N SER A 61 -10.341 4.792 -6.070 1.00 0.00 N ATOM 922 CA SER A 61 -11.069 3.942 -5.136 1.00 0.00 C ATOM 923 C SER A 61 -12.169 3.165 -5.853 1.00 0.00 C ATOM 924 O SER A 61 -12.648 3.576 -6.909 1.00 0.00 O ATOM 925 CB SER A 61 -11.674 4.785 -4.012 1.00 0.00 C ATOM 926 OG SER A 61 -11.708 4.063 -2.793 1.00 0.00 O ATOM 0 H SER A 61 -10.650 5.764 -6.085 1.00 0.00 H new ATOM 0 HA SER A 61 -10.365 3.229 -4.707 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.090 5.696 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.684 5.090 -4.286 1.00 0.00 H new ATOM 0 HG SER A 61 -12.478 3.457 -2.793 1.00 0.00 H new ATOM 932 N THR A 62 -12.565 2.038 -5.269 1.00 0.00 N ATOM 933 CA THR A 62 -13.607 1.201 -5.851 1.00 0.00 C ATOM 934 C THR A 62 -14.954 1.457 -5.185 1.00 0.00 C ATOM 935 O THR A 62 -15.944 1.746 -5.855 1.00 0.00 O ATOM 936 CB THR A 62 -13.261 -0.294 -5.727 1.00 0.00 C ATOM 937 OG1 THR A 62 -14.460 -1.065 -5.586 1.00 0.00 O ATOM 938 CG2 THR A 62 -12.350 -0.542 -4.534 1.00 0.00 C ATOM 0 H THR A 62 -12.180 1.684 -4.393 1.00 0.00 H new ATOM 0 HA THR A 62 -13.671 1.465 -6.907 1.00 0.00 H new ATOM 0 HB THR A 62 -12.738 -0.599 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.231 -2.015 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.119 -1.605 -4.467 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.426 0.023 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.851 -0.221 -3.621 1.00 0.00 H new ATOM 946 N ASP A 63 -14.983 1.349 -3.860 1.00 0.00 N ATOM 947 CA ASP A 63 -16.209 1.571 -3.102 1.00 0.00 C ATOM 948 C ASP A 63 -16.416 3.057 -2.827 1.00 0.00 C ATOM 949 O ASP A 63 -17.490 3.473 -2.391 1.00 0.00 O ATOM 950 CB ASP A 63 -16.164 0.797 -1.784 1.00 0.00 C ATOM 951 CG ASP A 63 -16.292 -0.700 -1.986 1.00 0.00 C ATOM 952 OD1 ASP A 63 -17.320 -1.138 -2.543 1.00 0.00 O ATOM 953 OD2 ASP A 63 -15.362 -1.434 -1.587 1.00 0.00 O ATOM 0 H ASP A 63 -14.172 1.109 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.047 1.211 -3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.226 1.012 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.969 1.143 -1.135 1.00 0.00 H new ATOM 958 N ASP A 64 -15.384 3.851 -3.085 1.00 0.00 N ATOM 959 CA ASP A 64 -15.453 5.291 -2.866 1.00 0.00 C ATOM 960 C ASP A 64 -15.270 6.050 -4.177 1.00 0.00 C ATOM 961 O ASP A 64 -15.614 7.227 -4.278 1.00 0.00 O ATOM 962 CB ASP A 64 -14.389 5.727 -1.858 1.00 0.00 C ATOM 963 CG ASP A 64 -14.680 5.227 -0.456 1.00 0.00 C ATOM 964 OD1 ASP A 64 -15.483 4.280 -0.319 1.00 0.00 O ATOM 965 OD2 ASP A 64 -14.102 5.779 0.502 1.00 0.00 O ATOM 0 H ASP A 64 -14.489 3.522 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.439 5.525 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.415 5.356 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.327 6.815 -1.847 1.00 0.00 H new ATOM 970 N GLY A 65 -14.726 5.367 -5.179 1.00 0.00 N ATOM 971 CA GLY A 65 -14.505 5.992 -6.470 1.00 0.00 C ATOM 972 C GLY A 65 -13.736 7.294 -6.359 1.00 0.00 C ATOM 973 O GLY A 65 -13.686 8.078 -7.308 1.00 0.00 O ATOM 0 H GLY A 65 -14.434 4.391 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.958 5.304 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.466 6.181 -6.948 1.00 0.00 H new ATOM 977 N THR A 66 -13.135 7.528 -5.196 1.00 0.00 N ATOM 978 CA THR A 66 -12.367 8.744 -4.964 1.00 0.00 C ATOM 979 C THR A 66 -10.876 8.503 -5.174 1.00 0.00 C ATOM 980 O THR A 66 -10.447 7.371 -5.406 1.00 0.00 O ATOM 981 CB THR A 66 -12.592 9.288 -3.541 1.00 0.00 C ATOM 982 OG1 THR A 66 -12.050 10.608 -3.429 1.00 0.00 O ATOM 983 CG2 THR A 66 -11.945 8.379 -2.506 1.00 0.00 C ATOM 0 H THR A 66 -13.166 6.891 -4.400 1.00 0.00 H new ATOM 0 HA THR A 66 -12.718 9.481 -5.687 1.00 0.00 H new ATOM 0 HB THR A 66 -13.665 9.320 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.757 10.764 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.117 8.783 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.381 7.382 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.873 8.319 -2.693 1.00 0.00 H new ATOM 991 N LEU A 67 -10.091 9.570 -5.089 1.00 0.00 N ATOM 992 CA LEU A 67 -8.647 9.473 -5.268 1.00 0.00 C ATOM 993 C LEU A 67 -8.010 8.669 -4.139 1.00 0.00 C ATOM 994 O LEU A 67 -7.774 9.190 -3.051 1.00 0.00 O ATOM 995 CB LEU A 67 -8.026 10.870 -5.328 1.00 0.00 C ATOM 996 CG LEU A 67 -6.501 10.923 -5.441 1.00 0.00 C ATOM 997 CD1 LEU A 67 -5.854 10.562 -4.113 1.00 0.00 C ATOM 998 CD2 LEU A 67 -6.017 9.993 -6.543 1.00 0.00 C ATOM 0 H LEU A 67 -10.430 10.513 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.457 8.956 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.452 11.399 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.323 11.417 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.209 11.941 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.769 10.605 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.176 11.268 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.152 9.554 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.930 10.043 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.320 8.971 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.453 10.298 -7.494 1.00 0.00 H new ATOM 1010 N GLN A 68 -7.733 7.397 -4.410 1.00 0.00 N ATOM 1011 CA GLN A 68 -7.123 6.521 -3.417 1.00 0.00 C ATOM 1012 C GLN A 68 -5.606 6.500 -3.569 1.00 0.00 C ATOM 1013 O GLN A 68 -5.065 6.988 -4.561 1.00 0.00 O ATOM 1014 CB GLN A 68 -7.680 5.103 -3.545 1.00 0.00 C ATOM 1015 CG GLN A 68 -8.905 4.850 -2.681 1.00 0.00 C ATOM 1016 CD GLN A 68 -8.547 4.465 -1.259 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -7.600 4.999 -0.678 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -9.302 3.533 -0.689 1.00 0.00 N ATOM 0 H GLN A 68 -7.921 6.951 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.366 6.910 -2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.936 4.915 -4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.901 4.390 -3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.525 5.746 -2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.503 4.056 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.076 3.117 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.108 3.233 0.266 1.00 0.00 H new ATOM 1027 N SER A 69 -4.924 5.932 -2.580 1.00 0.00 N ATOM 1028 CA SER A 69 -3.468 5.850 -2.603 1.00 0.00 C ATOM 1029 C SER A 69 -2.976 4.682 -1.753 1.00 0.00 C ATOM 1030 O SER A 69 -3.710 4.157 -0.915 1.00 0.00 O ATOM 1031 CB SER A 69 -2.856 7.157 -2.096 1.00 0.00 C ATOM 1032 OG SER A 69 -3.026 8.200 -3.040 1.00 0.00 O ATOM 0 H SER A 69 -5.356 5.522 -1.752 1.00 0.00 H new ATOM 0 HA SER A 69 -3.154 5.684 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.322 7.438 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.794 7.012 -1.897 1.00 0.00 H new ATOM 0 HG SER A 69 -3.666 7.918 -3.727 1.00 0.00 H new ATOM 1038 N ARG A 70 -1.729 4.281 -1.976 1.00 0.00 N ATOM 1039 CA ARG A 70 -1.138 3.175 -1.232 1.00 0.00 C ATOM 1040 C ARG A 70 0.364 3.380 -1.054 1.00 0.00 C ATOM 1041 O ARG A 70 0.970 4.219 -1.722 1.00 0.00 O ATOM 1042 CB ARG A 70 -1.400 1.850 -1.952 1.00 0.00 C ATOM 1043 CG ARG A 70 -0.451 1.589 -3.110 1.00 0.00 C ATOM 1044 CD ARG A 70 -0.961 0.472 -4.007 1.00 0.00 C ATOM 1045 NE ARG A 70 -1.100 -0.790 -3.285 1.00 0.00 N ATOM 1046 CZ ARG A 70 -1.886 -1.783 -3.684 1.00 0.00 C ATOM 1047 NH1 ARG A 70 -2.599 -1.662 -4.795 1.00 0.00 N ATOM 1048 NH2 ARG A 70 -1.959 -2.901 -2.972 1.00 0.00 N ATOM 0 H ARG A 70 -1.108 4.705 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.603 3.144 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.317 1.034 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.424 1.845 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.330 2.501 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.533 1.326 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.925 0.757 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.275 0.337 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.563 -0.915 -2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.544 -0.805 -5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.202 -2.426 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.411 -2.998 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.563 -3.663 -3.280 1.00 0.00 H new ATOM 1062 N LEU A 71 0.957 2.610 -0.148 1.00 0.00 N ATOM 1063 CA LEU A 71 2.387 2.707 0.119 1.00 0.00 C ATOM 1064 C LEU A 71 3.137 1.524 -0.486 1.00 0.00 C ATOM 1065 O LEU A 71 2.842 0.368 -0.183 1.00 0.00 O ATOM 1066 CB LEU A 71 2.641 2.768 1.626 1.00 0.00 C ATOM 1067 CG LEU A 71 2.523 4.150 2.271 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.066 4.027 3.717 1.00 0.00 C ATOM 1069 CD2 LEU A 71 3.848 4.892 2.190 1.00 0.00 C ATOM 0 H LEU A 71 0.469 1.912 0.414 1.00 0.00 H new ATOM 0 HA LEU A 71 2.756 3.622 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.938 2.097 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.641 2.382 1.822 1.00 0.00 H new ATOM 0 HG LEU A 71 1.775 4.723 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.988 5.020 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.093 3.537 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.790 3.436 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.745 5.873 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.616 4.323 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.134 5.013 1.145 1.00 0.00 H new ATOM 1081 N VAL A 72 4.108 1.822 -1.343 1.00 0.00 N ATOM 1082 CA VAL A 72 4.903 0.783 -1.988 1.00 0.00 C ATOM 1083 C VAL A 72 6.392 0.997 -1.742 1.00 0.00 C ATOM 1084 O VAL A 72 6.859 2.132 -1.645 1.00 0.00 O ATOM 1085 CB VAL A 72 4.646 0.744 -3.507 1.00 0.00 C ATOM 1086 CG1 VAL A 72 5.879 0.245 -4.244 1.00 0.00 C ATOM 1087 CG2 VAL A 72 3.439 -0.128 -3.819 1.00 0.00 C ATOM 0 H VAL A 72 4.363 2.774 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 72 4.599 -0.167 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 72 4.433 1.757 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.679 0.224 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.717 0.913 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.126 -0.760 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.271 -0.145 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.621 -1.142 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.558 0.278 -3.321 1.00 0.00 H new ATOM 1097 N MET A 73 7.133 -0.102 -1.642 1.00 0.00 N ATOM 1098 CA MET A 73 8.571 -0.034 -1.408 1.00 0.00 C ATOM 1099 C MET A 73 9.289 -1.187 -2.101 1.00 0.00 C ATOM 1100 O MET A 73 9.178 -2.341 -1.683 1.00 0.00 O ATOM 1101 CB MET A 73 8.867 -0.061 0.093 1.00 0.00 C ATOM 1102 CG MET A 73 10.337 -0.263 0.419 1.00 0.00 C ATOM 1103 SD MET A 73 11.367 1.110 -0.133 1.00 0.00 S ATOM 1104 CE MET A 73 12.950 0.293 -0.322 1.00 0.00 C ATOM 0 H MET A 73 6.762 -1.049 -1.719 1.00 0.00 H new ATOM 0 HA MET A 73 8.938 0.903 -1.826 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.530 0.875 0.538 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.288 -0.861 0.555 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.452 -0.388 1.496 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.685 -1.184 -0.048 1.00 0.00 H new ATOM 0 HE1 MET A 73 13.682 0.761 0.336 1.00 0.00 H new ATOM 0 HE2 MET A 73 12.849 -0.761 -0.061 1.00 0.00 H new ATOM 0 HE3 MET A 73 13.283 0.380 -1.356 1.00 0.00 H new ATOM 1114 N ARG A 74 10.026 -0.869 -3.160 1.00 0.00 N ATOM 1115 CA ARG A 74 10.761 -1.880 -3.911 1.00 0.00 C ATOM 1116 C ARG A 74 12.210 -1.962 -3.438 1.00 0.00 C ATOM 1117 O ARG A 74 12.871 -0.941 -3.247 1.00 0.00 O ATOM 1118 CB ARG A 74 10.718 -1.566 -5.407 1.00 0.00 C ATOM 1119 CG ARG A 74 9.312 -1.357 -5.946 1.00 0.00 C ATOM 1120 CD ARG A 74 9.258 -1.556 -7.452 1.00 0.00 C ATOM 1121 NE ARG A 74 9.001 -2.949 -7.812 1.00 0.00 N ATOM 1122 CZ ARG A 74 7.797 -3.508 -7.771 1.00 0.00 C ATOM 1123 NH1 ARG A 74 6.744 -2.797 -7.390 1.00 0.00 N ATOM 1124 NH2 ARG A 74 7.644 -4.781 -8.113 1.00 0.00 N ATOM 0 H ARG A 74 10.130 0.081 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 74 10.285 -2.845 -3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.308 -0.670 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.190 -2.382 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.628 -2.053 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.972 -0.352 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.477 -0.923 -7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.201 -1.236 -7.894 1.00 0.00 H new ATOM 0 HE ARG A 74 9.789 -3.523 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.858 -1.818 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.821 -3.229 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.451 -5.331 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.719 -5.210 -8.081 1.00 0.00 H new ATOM 1138 N THR A 75 12.697 -3.185 -3.252 1.00 0.00 N ATOM 1139 CA THR A 75 14.066 -3.400 -2.800 1.00 0.00 C ATOM 1140 C THR A 75 15.058 -3.207 -3.941 1.00 0.00 C ATOM 1141 O THR A 75 14.707 -3.350 -5.112 1.00 0.00 O ATOM 1142 CB THR A 75 14.247 -4.813 -2.212 1.00 0.00 C ATOM 1143 OG1 THR A 75 13.674 -5.787 -3.090 1.00 0.00 O ATOM 1144 CG2 THR A 75 13.598 -4.915 -0.840 1.00 0.00 C ATOM 0 H THR A 75 12.164 -4.041 -3.407 1.00 0.00 H new ATOM 0 HA THR A 75 14.262 -2.662 -2.022 1.00 0.00 H new ATOM 0 HB THR A 75 15.315 -5.004 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.710 -5.848 -2.926 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.739 -5.921 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.058 -4.193 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.532 -4.704 -0.925 1.00 0.00 H new ATOM 1152 N GLN A 76 16.299 -2.881 -3.591 1.00 0.00 N ATOM 1153 CA GLN A 76 17.341 -2.667 -4.588 1.00 0.00 C ATOM 1154 C GLN A 76 17.858 -3.996 -5.130 1.00 0.00 C ATOM 1155 O GLN A 76 17.579 -5.056 -4.570 1.00 0.00 O ATOM 1156 CB GLN A 76 18.497 -1.865 -3.985 1.00 0.00 C ATOM 1157 CG GLN A 76 19.131 -2.531 -2.774 1.00 0.00 C ATOM 1158 CD GLN A 76 19.929 -3.766 -3.138 1.00 0.00 C ATOM 1159 OE1 GLN A 76 20.721 -3.752 -4.080 1.00 0.00 O ATOM 1160 NE2 GLN A 76 19.725 -4.845 -2.390 1.00 0.00 N ATOM 0 H GLN A 76 16.606 -2.760 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 76 16.908 -2.103 -5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.261 -1.714 -4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.133 -0.878 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 76 19.783 -1.817 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 76 18.350 -2.804 -2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.059 -4.812 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.235 -5.706 -2.587 1.00 0.00 H new ATOM 1169 N GLY A 77 18.611 -3.931 -6.223 1.00 0.00 N ATOM 1170 CA GLY A 77 19.154 -5.137 -6.822 1.00 0.00 C ATOM 1171 C GLY A 77 18.111 -5.921 -7.594 1.00 0.00 C ATOM 1172 O GLY A 77 18.351 -6.336 -8.727 1.00 0.00 O ATOM 0 H GLY A 77 18.855 -3.066 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.972 -4.870 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.575 -5.770 -6.040 1.00 0.00 H new ATOM 1176 N SER A 78 16.951 -6.125 -6.978 1.00 0.00 N ATOM 1177 CA SER A 78 15.870 -6.870 -7.613 1.00 0.00 C ATOM 1178 C SER A 78 14.512 -6.281 -7.240 1.00 0.00 C ATOM 1179 O SER A 78 14.274 -5.923 -6.085 1.00 0.00 O ATOM 1180 CB SER A 78 15.929 -8.343 -7.205 1.00 0.00 C ATOM 1181 OG SER A 78 15.505 -8.519 -5.865 1.00 0.00 O ATOM 0 H SER A 78 16.736 -5.785 -6.041 1.00 0.00 H new ATOM 0 HA SER A 78 15.995 -6.794 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.298 -8.933 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.947 -8.715 -7.319 1.00 0.00 H new ATOM 0 HG SER A 78 15.550 -9.469 -5.630 1.00 0.00 H new ATOM 1187 N LEU A 79 13.626 -6.183 -8.224 1.00 0.00 N ATOM 1188 CA LEU A 79 12.292 -5.638 -8.001 1.00 0.00 C ATOM 1189 C LEU A 79 11.461 -6.570 -7.124 1.00 0.00 C ATOM 1190 O LEU A 79 10.526 -7.214 -7.598 1.00 0.00 O ATOM 1191 CB LEU A 79 11.583 -5.409 -9.337 1.00 0.00 C ATOM 1192 CG LEU A 79 12.142 -4.285 -10.210 1.00 0.00 C ATOM 1193 CD1 LEU A 79 11.739 -2.927 -9.657 1.00 0.00 C ATOM 1194 CD2 LEU A 79 13.657 -4.394 -10.312 1.00 0.00 C ATOM 0 H LEU A 79 13.807 -6.474 -9.185 1.00 0.00 H new ATOM 0 HA LEU A 79 12.399 -4.684 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.618 -6.337 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.533 -5.198 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 79 11.722 -4.385 -11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.146 -2.140 -10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.652 -2.850 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.130 -2.816 -8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.039 -3.587 -10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.095 -4.321 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.924 -5.353 -10.756 1.00 0.00 H new ATOM 1206 N ARG A 80 11.810 -6.637 -5.843 1.00 0.00 N ATOM 1207 CA ARG A 80 11.097 -7.490 -4.901 1.00 0.00 C ATOM 1208 C ARG A 80 10.276 -6.653 -3.924 1.00 0.00 C ATOM 1209 O ARG A 80 10.827 -5.962 -3.066 1.00 0.00 O ATOM 1210 CB ARG A 80 12.082 -8.370 -4.131 1.00 0.00 C ATOM 1211 CG ARG A 80 11.491 -8.994 -2.877 1.00 0.00 C ATOM 1212 CD ARG A 80 10.429 -10.027 -3.216 1.00 0.00 C ATOM 1213 NE ARG A 80 10.346 -11.079 -2.206 1.00 0.00 N ATOM 1214 CZ ARG A 80 11.264 -12.028 -2.057 1.00 0.00 C ATOM 1215 NH1 ARG A 80 12.328 -12.056 -2.847 1.00 0.00 N ATOM 1216 NH2 ARG A 80 11.119 -12.950 -1.114 1.00 0.00 N ATOM 0 H ARG A 80 12.582 -6.111 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 80 10.418 -8.127 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 80 12.438 -9.163 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.950 -7.772 -3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 80 12.284 -9.463 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 80 11.055 -8.214 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.461 -9.535 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.653 -10.472 -4.185 1.00 0.00 H new ATOM 0 HE ARG A 80 9.540 -11.085 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.444 -11.348 -3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.031 -12.786 -2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.302 -12.931 -0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.824 -13.678 -1.000 1.00 0.00 H new ATOM 1230 N LEU A 81 8.956 -6.718 -4.061 1.00 0.00 N ATOM 1231 CA LEU A 81 8.058 -5.967 -3.191 1.00 0.00 C ATOM 1232 C LEU A 81 7.944 -6.630 -1.822 1.00 0.00 C ATOM 1233 O LEU A 81 7.774 -7.845 -1.723 1.00 0.00 O ATOM 1234 CB LEU A 81 6.674 -5.852 -3.831 1.00 0.00 C ATOM 1235 CG LEU A 81 5.851 -4.626 -3.436 1.00 0.00 C ATOM 1236 CD1 LEU A 81 5.839 -4.455 -1.925 1.00 0.00 C ATOM 1237 CD2 LEU A 81 6.398 -3.376 -4.111 1.00 0.00 C ATOM 0 H LEU A 81 8.484 -7.283 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 81 8.474 -4.968 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.796 -5.849 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.103 -6.745 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 81 4.825 -4.778 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.248 -3.577 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.400 -5.339 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.860 -4.326 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.800 -2.513 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.433 -3.221 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.354 -3.498 -5.193 1.00 0.00 H new ATOM 1249 N ILE A 82 8.038 -5.824 -0.770 1.00 0.00 N ATOM 1250 CA ILE A 82 7.943 -6.332 0.592 1.00 0.00 C ATOM 1251 C ILE A 82 6.893 -5.568 1.392 1.00 0.00 C ATOM 1252 O ILE A 82 6.297 -6.104 2.327 1.00 0.00 O ATOM 1253 CB ILE A 82 9.295 -6.241 1.324 1.00 0.00 C ATOM 1254 CG1 ILE A 82 9.610 -4.788 1.681 1.00 0.00 C ATOM 1255 CG2 ILE A 82 10.402 -6.833 0.464 1.00 0.00 C ATOM 1256 CD1 ILE A 82 10.039 -3.953 0.494 1.00 0.00 C ATOM 0 H ILE A 82 8.180 -4.816 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 82 7.650 -7.379 0.517 1.00 0.00 H new ATOM 0 HB ILE A 82 9.231 -6.816 2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.729 -4.334 2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.400 -4.770 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.352 -6.762 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.180 -7.880 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.468 -6.282 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.246 -2.934 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.939 -4.382 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.242 -3.940 -0.249 1.00 0.00 H new ATOM 1268 N LEU A 83 6.669 -4.313 1.017 1.00 0.00 N ATOM 1269 CA LEU A 83 5.689 -3.474 1.697 1.00 0.00 C ATOM 1270 C LEU A 83 4.616 -2.991 0.725 1.00 0.00 C ATOM 1271 O LEU A 83 4.904 -2.250 -0.213 1.00 0.00 O ATOM 1272 CB LEU A 83 6.380 -2.275 2.349 1.00 0.00 C ATOM 1273 CG LEU A 83 5.544 -1.000 2.464 1.00 0.00 C ATOM 1274 CD1 LEU A 83 4.311 -1.245 3.321 1.00 0.00 C ATOM 1275 CD2 LEU A 83 6.379 0.135 3.040 1.00 0.00 C ATOM 0 H LEU A 83 7.153 -3.854 0.245 1.00 0.00 H new ATOM 0 HA LEU A 83 5.209 -4.074 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.702 -2.566 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.280 -2.045 1.779 1.00 0.00 H new ATOM 0 HG LEU A 83 5.216 -0.713 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.728 -0.326 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.702 -2.027 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.618 -1.557 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.768 1.035 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.737 -0.144 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.230 0.328 2.387 1.00 0.00 H new ATOM 1287 N ASN A 84 3.380 -3.417 0.959 1.00 0.00 N ATOM 1288 CA ASN A 84 2.263 -3.027 0.105 1.00 0.00 C ATOM 1289 C ASN A 84 0.975 -2.909 0.914 1.00 0.00 C ATOM 1290 O ASN A 84 0.372 -3.914 1.293 1.00 0.00 O ATOM 1291 CB ASN A 84 2.079 -4.042 -1.024 1.00 0.00 C ATOM 1292 CG ASN A 84 0.854 -3.751 -1.869 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -0.237 -4.252 -1.596 1.00 0.00 O ATOM 1294 ND2 ASN A 84 1.030 -2.938 -2.904 1.00 0.00 N ATOM 0 H ASN A 84 3.126 -4.032 1.732 1.00 0.00 H new ATOM 0 HA ASN A 84 2.490 -2.052 -0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.965 -4.039 -1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.995 -5.042 -0.599 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.243 -2.706 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.952 -2.545 -3.093 1.00 0.00 H new ATOM 1301 N THR A 85 0.556 -1.674 1.175 1.00 0.00 N ATOM 1302 CA THR A 85 -0.659 -1.426 1.938 1.00 0.00 C ATOM 1303 C THR A 85 -1.368 -0.168 1.448 1.00 0.00 C ATOM 1304 O THR A 85 -0.749 0.717 0.856 1.00 0.00 O ATOM 1305 CB THR A 85 -0.358 -1.277 3.442 1.00 0.00 C ATOM 1306 OG1 THR A 85 -1.556 -1.466 4.203 1.00 0.00 O ATOM 1307 CG2 THR A 85 0.230 0.093 3.744 1.00 0.00 C ATOM 0 H THR A 85 1.041 -0.831 0.869 1.00 0.00 H new ATOM 0 HA THR A 85 -1.308 -2.289 1.788 1.00 0.00 H new ATOM 0 HB THR A 85 0.372 -2.037 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.444 -1.070 5.092 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.434 0.174 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.158 0.222 3.187 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.480 0.866 3.450 1.00 0.00 H new ATOM 1315 N LYS A 86 -2.671 -0.094 1.696 1.00 0.00 N ATOM 1316 CA LYS A 86 -3.465 1.056 1.282 1.00 0.00 C ATOM 1317 C LYS A 86 -3.556 2.088 2.402 1.00 0.00 C ATOM 1318 O LYS A 86 -3.523 1.740 3.584 1.00 0.00 O ATOM 1319 CB LYS A 86 -4.870 0.610 0.871 1.00 0.00 C ATOM 1320 CG LYS A 86 -5.688 1.706 0.211 1.00 0.00 C ATOM 1321 CD LYS A 86 -6.508 2.480 1.229 1.00 0.00 C ATOM 1322 CE LYS A 86 -7.783 1.737 1.599 1.00 0.00 C ATOM 1323 NZ LYS A 86 -8.455 1.158 0.402 1.00 0.00 N ATOM 0 H LYS A 86 -3.200 -0.818 2.182 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.971 1.517 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.788 -0.233 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.401 0.253 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.023 2.389 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.352 1.267 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.911 2.649 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.761 3.460 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.547 0.940 2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.467 2.419 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.480 1.322 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.085 1.612 -0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.270 0.135 0.361 1.00 0.00 H new ATOM 1337 N LEU A 87 -3.673 3.356 2.025 1.00 0.00 N ATOM 1338 CA LEU A 87 -3.769 4.438 2.998 1.00 0.00 C ATOM 1339 C LEU A 87 -5.222 4.690 3.389 1.00 0.00 C ATOM 1340 O LEU A 87 -6.100 4.773 2.531 1.00 0.00 O ATOM 1341 CB LEU A 87 -3.153 5.717 2.430 1.00 0.00 C ATOM 1342 CG LEU A 87 -1.762 5.575 1.812 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -1.364 6.855 1.093 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -0.737 5.222 2.880 1.00 0.00 C ATOM 0 H LEU A 87 -3.704 3.660 1.052 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.217 4.142 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.827 6.115 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.100 6.457 3.229 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.791 4.766 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.371 6.735 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.083 7.066 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.353 7.682 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.247 5.125 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.711 6.009 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.013 4.278 3.351 1.00 0.00 H new ATOM 1356 N TRP A 88 -5.466 4.811 4.689 1.00 0.00 N ATOM 1357 CA TRP A 88 -6.812 5.056 5.194 1.00 0.00 C ATOM 1358 C TRP A 88 -6.868 6.357 5.986 1.00 0.00 C ATOM 1359 O TRP A 88 -5.848 6.842 6.475 1.00 0.00 O ATOM 1360 CB TRP A 88 -7.269 3.890 6.072 1.00 0.00 C ATOM 1361 CG TRP A 88 -6.360 3.629 7.235 1.00 0.00 C ATOM 1362 CD1 TRP A 88 -6.491 4.116 8.504 1.00 0.00 C ATOM 1363 CD2 TRP A 88 -5.177 2.821 7.233 1.00 0.00 C ATOM 1364 NE1 TRP A 88 -5.462 3.659 9.291 1.00 0.00 N ATOM 1365 CE2 TRP A 88 -4.643 2.862 8.535 1.00 0.00 C ATOM 1366 CE3 TRP A 88 -4.519 2.066 6.258 1.00 0.00 C ATOM 1367 CZ2 TRP A 88 -3.482 2.177 8.885 1.00 0.00 C ATOM 1368 CZ3 TRP A 88 -3.367 1.387 6.607 1.00 0.00 C ATOM 1369 CH2 TRP A 88 -2.859 1.446 7.911 1.00 0.00 C ATOM 0 H TRP A 88 -4.750 4.743 5.412 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.483 5.144 4.340 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -8.273 4.096 6.444 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.334 2.989 5.462 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.286 4.765 8.840 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.329 3.878 10.278 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.904 2.014 5.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.088 2.221 9.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.850 0.801 5.862 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.957 0.903 8.152 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.067 6.919 6.109 1.00 0.00 N ATOM 1381 CA ALA A 89 -8.256 8.164 6.844 1.00 0.00 C ATOM 1382 C ALA A 89 -7.672 8.065 8.250 1.00 0.00 C ATOM 1383 O ALA A 89 -7.026 8.996 8.729 1.00 0.00 O ATOM 1384 CB ALA A 89 -9.733 8.520 6.908 1.00 0.00 C ATOM 0 H ALA A 89 -8.922 6.532 5.709 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.726 8.955 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.859 9.452 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.122 8.641 5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.278 7.723 7.413 1.00 0.00 H new ATOM 1390 N GLN A 90 -7.905 6.932 8.904 1.00 0.00 N ATOM 1391 CA GLN A 90 -7.404 6.714 10.256 1.00 0.00 C ATOM 1392 C GLN A 90 -5.971 6.191 10.226 1.00 0.00 C ATOM 1393 O GLN A 90 -5.564 5.420 11.096 1.00 0.00 O ATOM 1394 CB GLN A 90 -8.304 5.729 11.004 1.00 0.00 C ATOM 1395 CG GLN A 90 -9.787 6.016 10.840 1.00 0.00 C ATOM 1396 CD GLN A 90 -10.184 7.371 11.389 1.00 0.00 C ATOM 1397 OE1 GLN A 90 -10.025 7.642 12.580 1.00 0.00 O ATOM 1398 NE2 GLN A 90 -10.704 8.233 10.523 1.00 0.00 N ATOM 0 H GLN A 90 -8.437 6.151 8.520 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.412 7.670 10.779 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.096 4.719 10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.053 5.753 12.064 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.048 5.966 9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.361 5.241 11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.818 7.967 9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.989 9.161 10.836 1.00 0.00 H new ATOM 1407 N MET A 91 -5.212 6.614 9.221 1.00 0.00 N ATOM 1408 CA MET A 91 -3.824 6.188 9.080 1.00 0.00 C ATOM 1409 C MET A 91 -2.924 6.935 10.058 1.00 0.00 C ATOM 1410 O MET A 91 -3.102 8.131 10.289 1.00 0.00 O ATOM 1411 CB MET A 91 -3.341 6.418 7.646 1.00 0.00 C ATOM 1412 CG MET A 91 -1.846 6.669 7.542 1.00 0.00 C ATOM 1413 SD MET A 91 -1.176 6.214 5.931 1.00 0.00 S ATOM 1414 CE MET A 91 -0.518 4.586 6.285 1.00 0.00 C ATOM 0 H MET A 91 -5.534 7.251 8.492 1.00 0.00 H new ATOM 0 HA MET A 91 -3.772 5.123 9.307 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.598 5.549 7.041 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.874 7.270 7.224 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.645 7.724 7.730 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.332 6.103 8.318 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.571 4.625 6.282 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.867 4.258 7.264 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.858 3.883 5.524 1.00 0.00 H new ATOM 1424 N GLN A 92 -1.960 6.222 10.631 1.00 0.00 N ATOM 1425 CA GLN A 92 -1.034 6.819 11.586 1.00 0.00 C ATOM 1426 C GLN A 92 0.281 7.193 10.908 1.00 0.00 C ATOM 1427 O GLN A 92 1.006 6.327 10.418 1.00 0.00 O ATOM 1428 CB GLN A 92 -0.768 5.855 12.742 1.00 0.00 C ATOM 1429 CG GLN A 92 -1.924 5.748 13.724 1.00 0.00 C ATOM 1430 CD GLN A 92 -1.493 5.222 15.078 1.00 0.00 C ATOM 1431 OE1 GLN A 92 -1.556 5.933 16.083 1.00 0.00 O ATOM 1432 NE2 GLN A 92 -1.051 3.971 15.115 1.00 0.00 N ATOM 0 H GLN A 92 -1.800 5.231 10.451 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.492 7.727 11.978 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.553 4.866 12.337 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.124 6.181 13.278 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.382 6.729 13.849 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.688 5.090 13.309 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.015 3.417 14.259 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.747 3.563 15.999 1.00 0.00 H new ATOM 1441 N ILE A 93 0.581 8.488 10.884 1.00 0.00 N ATOM 1442 CA ILE A 93 1.808 8.975 10.267 1.00 0.00 C ATOM 1443 C ILE A 93 2.275 10.271 10.920 1.00 0.00 C ATOM 1444 O ILE A 93 1.579 11.285 10.878 1.00 0.00 O ATOM 1445 CB ILE A 93 1.623 9.213 8.756 1.00 0.00 C ATOM 1446 CG1 ILE A 93 2.744 10.104 8.217 1.00 0.00 C ATOM 1447 CG2 ILE A 93 0.263 9.838 8.482 1.00 0.00 C ATOM 1448 CD1 ILE A 93 2.858 10.085 6.709 1.00 0.00 C ATOM 0 H ILE A 93 -0.009 9.218 11.284 1.00 0.00 H new ATOM 0 HA ILE A 93 2.563 8.203 10.415 1.00 0.00 H new ATOM 0 HB ILE A 93 1.670 8.253 8.243 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.574 11.129 8.548 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.692 9.783 8.649 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.146 10.000 7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.522 9.170 8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.189 10.792 9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.673 10.739 6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.060 9.068 6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.924 10.435 6.269 1.00 0.00 H new ATOM 1460 N ASP A 94 3.459 10.230 11.523 1.00 0.00 N ATOM 1461 CA ASP A 94 4.021 11.402 12.184 1.00 0.00 C ATOM 1462 C ASP A 94 5.491 11.578 11.818 1.00 0.00 C ATOM 1463 O ASP A 94 6.278 10.635 11.891 1.00 0.00 O ATOM 1464 CB ASP A 94 3.871 11.280 13.701 1.00 0.00 C ATOM 1465 CG ASP A 94 3.777 12.630 14.384 1.00 0.00 C ATOM 1466 OD1 ASP A 94 2.826 13.382 14.085 1.00 0.00 O ATOM 1467 OD2 ASP A 94 4.654 12.934 15.220 1.00 0.00 O ATOM 0 H ASP A 94 4.047 9.398 11.567 1.00 0.00 H new ATOM 0 HA ASP A 94 3.472 12.280 11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.978 10.698 13.929 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.722 10.731 14.104 1.00 0.00 H new ATOM 1472 N LYS A 95 5.855 12.794 11.423 1.00 0.00 N ATOM 1473 CA LYS A 95 7.231 13.096 11.046 1.00 0.00 C ATOM 1474 C LYS A 95 8.174 12.905 12.229 1.00 0.00 C ATOM 1475 O LYS A 95 8.368 13.816 13.033 1.00 0.00 O ATOM 1476 CB LYS A 95 7.335 14.531 10.524 1.00 0.00 C ATOM 1477 CG LYS A 95 8.714 14.889 10.000 1.00 0.00 C ATOM 1478 CD LYS A 95 8.854 14.555 8.523 1.00 0.00 C ATOM 1479 CE LYS A 95 9.819 15.501 7.826 1.00 0.00 C ATOM 1480 NZ LYS A 95 9.318 16.904 7.825 1.00 0.00 N ATOM 0 H LYS A 95 5.216 13.586 11.356 1.00 0.00 H new ATOM 0 HA LYS A 95 7.524 12.406 10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.605 14.673 9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.070 15.220 11.326 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.897 15.953 10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.472 14.350 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.205 13.529 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.877 14.611 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.788 15.462 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.974 15.170 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.696 17.407 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.279 16.902 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.629 17.384 8.694 1.00 0.00 H new ATOM 1494 N ALA A 96 8.759 11.715 12.327 1.00 0.00 N ATOM 1495 CA ALA A 96 9.685 11.407 13.410 1.00 0.00 C ATOM 1496 C ALA A 96 10.900 12.328 13.374 1.00 0.00 C ATOM 1497 O ALA A 96 11.289 12.898 14.392 1.00 0.00 O ATOM 1498 CB ALA A 96 10.121 9.951 13.333 1.00 0.00 C ATOM 0 H ALA A 96 8.608 10.949 11.670 1.00 0.00 H new ATOM 0 HA ALA A 96 9.167 11.571 14.355 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.812 9.735 14.148 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.247 9.305 13.417 1.00 0.00 H new ATOM 0 HB3 ALA A 96 10.616 9.769 12.379 1.00 0.00 H new ATOM 1504 N SER A 97 11.496 12.467 12.193 1.00 0.00 N ATOM 1505 CA SER A 97 12.669 13.316 12.025 1.00 0.00 C ATOM 1506 C SER A 97 12.712 13.912 10.620 1.00 0.00 C ATOM 1507 O SER A 97 11.910 13.554 9.760 1.00 0.00 O ATOM 1508 CB SER A 97 13.945 12.516 12.291 1.00 0.00 C ATOM 1509 OG SER A 97 14.978 13.350 12.784 1.00 0.00 O ATOM 0 H SER A 97 11.185 12.003 11.340 1.00 0.00 H new ATOM 0 HA SER A 97 12.603 14.132 12.745 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.738 11.725 13.011 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.273 12.032 11.371 1.00 0.00 H new ATOM 0 HG SER A 97 15.782 12.814 12.947 1.00 0.00 H new ATOM 1515 N GLU A 98 13.654 14.823 10.400 1.00 0.00 N ATOM 1516 CA GLU A 98 13.801 15.469 9.101 1.00 0.00 C ATOM 1517 C GLU A 98 14.325 14.484 8.060 1.00 0.00 C ATOM 1518 O GLU A 98 14.138 14.675 6.858 1.00 0.00 O ATOM 1519 CB GLU A 98 14.747 16.668 9.207 1.00 0.00 C ATOM 1520 CG GLU A 98 15.367 17.073 7.881 1.00 0.00 C ATOM 1521 CD GLU A 98 15.765 18.535 7.845 1.00 0.00 C ATOM 1522 OE1 GLU A 98 16.891 18.854 8.283 1.00 0.00 O ATOM 1523 OE2 GLU A 98 14.952 19.361 7.380 1.00 0.00 O ATOM 0 H GLU A 98 14.326 15.130 11.103 1.00 0.00 H new ATOM 0 HA GLU A 98 12.818 15.818 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.200 17.517 9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.543 16.431 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.246 16.456 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.659 16.873 7.077 1.00 0.00 H new ATOM 1530 N LYS A 99 14.984 13.431 8.529 1.00 0.00 N ATOM 1531 CA LYS A 99 15.536 12.414 7.641 1.00 0.00 C ATOM 1532 C LYS A 99 14.811 11.084 7.821 1.00 0.00 C ATOM 1533 O LYS A 99 15.026 10.142 7.058 1.00 0.00 O ATOM 1534 CB LYS A 99 17.032 12.232 7.907 1.00 0.00 C ATOM 1535 CG LYS A 99 17.854 13.480 7.636 1.00 0.00 C ATOM 1536 CD LYS A 99 17.929 14.377 8.860 1.00 0.00 C ATOM 1537 CE LYS A 99 18.864 15.554 8.632 1.00 0.00 C ATOM 1538 NZ LYS A 99 18.962 16.425 9.836 1.00 0.00 N ATOM 0 H LYS A 99 15.149 13.259 9.521 1.00 0.00 H new ATOM 0 HA LYS A 99 15.395 12.749 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.174 11.932 8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.407 11.418 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.861 13.194 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.415 14.033 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.932 14.745 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.274 13.798 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.855 15.185 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.508 16.142 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.608 17.216 9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.020 16.798 10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.326 15.870 10.637 1.00 0.00 H new ATOM 1552 N SER A 100 13.950 11.015 8.831 1.00 0.00 N ATOM 1553 CA SER A 100 13.195 9.800 9.111 1.00 0.00 C ATOM 1554 C SER A 100 11.703 10.098 9.212 1.00 0.00 C ATOM 1555 O SER A 100 11.303 11.195 9.601 1.00 0.00 O ATOM 1556 CB SER A 100 13.688 9.156 10.409 1.00 0.00 C ATOM 1557 OG SER A 100 15.034 8.730 10.289 1.00 0.00 O ATOM 0 H SER A 100 13.758 11.787 9.469 1.00 0.00 H new ATOM 0 HA SER A 100 13.353 9.105 8.286 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.601 9.870 11.228 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.055 8.305 10.659 1.00 0.00 H new ATOM 0 HG SER A 100 15.325 8.324 11.132 1.00 0.00 H new ATOM 1563 N ILE A 101 10.884 9.113 8.857 1.00 0.00 N ATOM 1564 CA ILE A 101 9.436 9.269 8.908 1.00 0.00 C ATOM 1565 C ILE A 101 8.776 8.065 9.573 1.00 0.00 C ATOM 1566 O ILE A 101 9.160 6.921 9.330 1.00 0.00 O ATOM 1567 CB ILE A 101 8.839 9.454 7.501 1.00 0.00 C ATOM 1568 CG1 ILE A 101 9.683 10.442 6.692 1.00 0.00 C ATOM 1569 CG2 ILE A 101 7.399 9.934 7.594 1.00 0.00 C ATOM 1570 CD1 ILE A 101 9.508 10.301 5.196 1.00 0.00 C ATOM 0 H ILE A 101 11.199 8.199 8.531 1.00 0.00 H new ATOM 0 HA ILE A 101 9.236 10.163 9.499 1.00 0.00 H new ATOM 0 HB ILE A 101 8.848 8.491 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.420 11.458 6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.734 10.299 6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.992 10.060 6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.805 9.199 8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.367 10.888 8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.135 11.032 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.798 9.296 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.464 10.473 4.934 1.00 0.00 H new ATOM 1582 N HIS A 102 7.781 8.332 10.413 1.00 0.00 N ATOM 1583 CA HIS A 102 7.066 7.270 11.112 1.00 0.00 C ATOM 1584 C HIS A 102 5.685 7.052 10.501 1.00 0.00 C ATOM 1585 O HIS A 102 4.783 7.874 10.671 1.00 0.00 O ATOM 1586 CB HIS A 102 6.931 7.609 12.597 1.00 0.00 C ATOM 1587 CG HIS A 102 8.088 7.139 13.425 1.00 0.00 C ATOM 1588 ND1 HIS A 102 8.545 7.821 14.533 1.00 0.00 N ATOM 1589 CD2 HIS A 102 8.880 6.050 13.302 1.00 0.00 C ATOM 1590 CE1 HIS A 102 9.569 7.171 15.056 1.00 0.00 C ATOM 1591 NE2 HIS A 102 9.793 6.092 14.327 1.00 0.00 N ATOM 0 H HIS A 102 7.452 9.274 10.626 1.00 0.00 H new ATOM 0 HA HIS A 102 7.640 6.349 11.008 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.830 8.689 12.707 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.014 7.162 12.982 1.00 0.00 H new ATOM 0 HD2 HIS A 102 8.808 5.289 12.539 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.128 7.470 15.930 1.00 0.00 H new ATOM 0 HE2 HIS A 102 10.525 5.402 14.498 1.00 0.00 H new ATOM 1599 N ILE A 103 5.526 5.941 9.790 1.00 0.00 N ATOM 1600 CA ILE A 103 4.255 5.616 9.154 1.00 0.00 C ATOM 1601 C ILE A 103 3.836 4.183 9.465 1.00 0.00 C ATOM 1602 O ILE A 103 4.677 3.296 9.614 1.00 0.00 O ATOM 1603 CB ILE A 103 4.327 5.798 7.626 1.00 0.00 C ATOM 1604 CG1 ILE A 103 4.935 4.555 6.971 1.00 0.00 C ATOM 1605 CG2 ILE A 103 5.138 7.037 7.278 1.00 0.00 C ATOM 1606 CD1 ILE A 103 3.913 3.495 6.625 1.00 0.00 C ATOM 0 H ILE A 103 6.262 5.250 9.640 1.00 0.00 H new ATOM 0 HA ILE A 103 3.514 6.305 9.559 1.00 0.00 H new ATOM 0 HB ILE A 103 3.315 5.930 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.460 4.852 6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.678 4.126 7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.180 7.152 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.667 7.916 7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.149 6.932 7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.414 2.643 6.165 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.405 3.170 7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.183 3.907 5.928 1.00 0.00 H new ATOM 1618 N THR A 104 2.529 3.962 9.561 1.00 0.00 N ATOM 1619 CA THR A 104 1.996 2.638 9.853 1.00 0.00 C ATOM 1620 C THR A 104 1.439 1.980 8.596 1.00 0.00 C ATOM 1621 O THR A 104 0.614 2.562 7.894 1.00 0.00 O ATOM 1622 CB THR A 104 0.888 2.701 10.921 1.00 0.00 C ATOM 1623 OG1 THR A 104 -0.130 3.623 10.517 1.00 0.00 O ATOM 1624 CG2 THR A 104 1.457 3.122 12.268 1.00 0.00 C ATOM 0 H THR A 104 1.819 4.685 9.440 1.00 0.00 H new ATOM 0 HA THR A 104 2.824 2.041 10.235 1.00 0.00 H new ATOM 0 HB THR A 104 0.456 1.706 11.023 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.243 4.528 10.484 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.656 3.159 13.006 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.210 2.401 12.586 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.914 4.108 12.178 1.00 0.00 H new ATOM 1632 N ALA A 105 1.894 0.762 8.320 1.00 0.00 N ATOM 1633 CA ALA A 105 1.438 0.023 7.149 1.00 0.00 C ATOM 1634 C ALA A 105 1.339 -1.469 7.445 1.00 0.00 C ATOM 1635 O ALA A 105 1.799 -1.936 8.486 1.00 0.00 O ATOM 1636 CB ALA A 105 2.371 0.270 5.973 1.00 0.00 C ATOM 0 H ALA A 105 2.578 0.266 8.892 1.00 0.00 H new ATOM 0 HA ALA A 105 0.442 0.381 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.019 -0.288 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.387 1.334 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.377 -0.059 6.232 1.00 0.00 H new ATOM 1642 N MET A 106 0.735 -2.212 6.523 1.00 0.00 N ATOM 1643 CA MET A 106 0.577 -3.653 6.687 1.00 0.00 C ATOM 1644 C MET A 106 1.644 -4.409 5.902 1.00 0.00 C ATOM 1645 O MET A 106 2.289 -3.849 5.014 1.00 0.00 O ATOM 1646 CB MET A 106 -0.815 -4.090 6.227 1.00 0.00 C ATOM 1647 CG MET A 106 -1.911 -3.781 7.234 1.00 0.00 C ATOM 1648 SD MET A 106 -3.561 -3.872 6.514 1.00 0.00 S ATOM 1649 CE MET A 106 -4.564 -4.052 7.987 1.00 0.00 C ATOM 0 H MET A 106 0.347 -1.841 5.656 1.00 0.00 H new ATOM 0 HA MET A 106 0.693 -3.888 7.745 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.049 -3.596 5.284 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.804 -5.162 6.031 1.00 0.00 H new ATOM 0 HG2 MET A 106 -1.843 -4.482 8.066 1.00 0.00 H new ATOM 0 HG3 MET A 106 -1.752 -2.783 7.644 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.601 -4.228 7.702 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.201 -4.896 8.574 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.501 -3.142 8.583 1.00 0.00 H new ATOM 1659 N ASP A 107 1.827 -5.682 6.235 1.00 0.00 N ATOM 1660 CA ASP A 107 2.816 -6.514 5.561 1.00 0.00 C ATOM 1661 C ASP A 107 2.139 -7.510 4.623 1.00 0.00 C ATOM 1662 O ASP A 107 0.964 -7.838 4.791 1.00 0.00 O ATOM 1663 CB ASP A 107 3.670 -7.261 6.587 1.00 0.00 C ATOM 1664 CG ASP A 107 5.015 -7.679 6.026 1.00 0.00 C ATOM 1665 OD1 ASP A 107 5.063 -8.682 5.283 1.00 0.00 O ATOM 1666 OD2 ASP A 107 6.020 -7.003 6.329 1.00 0.00 O ATOM 0 H ASP A 107 1.303 -6.160 6.968 1.00 0.00 H new ATOM 0 HA ASP A 107 3.460 -5.863 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.825 -6.625 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.132 -8.145 6.929 1.00 0.00 H new ATOM 1671 N THR A 108 2.889 -7.987 3.634 1.00 0.00 N ATOM 1672 CA THR A 108 2.362 -8.942 2.667 1.00 0.00 C ATOM 1673 C THR A 108 2.348 -10.354 3.243 1.00 0.00 C ATOM 1674 O THR A 108 1.438 -11.135 2.968 1.00 0.00 O ATOM 1675 CB THR A 108 3.187 -8.939 1.366 1.00 0.00 C ATOM 1676 OG1 THR A 108 4.537 -9.327 1.642 1.00 0.00 O ATOM 1677 CG2 THR A 108 3.172 -7.561 0.720 1.00 0.00 C ATOM 0 H THR A 108 3.864 -7.727 3.482 1.00 0.00 H new ATOM 0 HA THR A 108 1.341 -8.633 2.441 1.00 0.00 H new ATOM 0 HB THR A 108 2.738 -9.652 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.055 -9.324 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.761 -7.583 -0.197 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.145 -7.280 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.599 -6.832 1.408 1.00 0.00 H new ATOM 1685 N GLU A 109 3.361 -10.673 4.041 1.00 0.00 N ATOM 1686 CA GLU A 109 3.463 -11.993 4.654 1.00 0.00 C ATOM 1687 C GLU A 109 2.939 -11.968 6.087 1.00 0.00 C ATOM 1688 O GLU A 109 2.108 -12.793 6.470 1.00 0.00 O ATOM 1689 CB GLU A 109 4.915 -12.476 4.639 1.00 0.00 C ATOM 1690 CG GLU A 109 5.555 -12.436 3.262 1.00 0.00 C ATOM 1691 CD GLU A 109 6.695 -13.425 3.118 1.00 0.00 C ATOM 1692 OE1 GLU A 109 6.528 -14.588 3.544 1.00 0.00 O ATOM 1693 OE2 GLU A 109 7.752 -13.038 2.580 1.00 0.00 O ATOM 0 H GLU A 109 4.122 -10.037 4.279 1.00 0.00 H new ATOM 0 HA GLU A 109 2.852 -12.684 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.501 -11.860 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.953 -13.497 5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.798 -12.648 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.926 -11.430 3.067 1.00 0.00 H new ATOM 1700 N ASP A 110 3.432 -11.019 6.875 1.00 0.00 N ATOM 1701 CA ASP A 110 3.013 -10.886 8.266 1.00 0.00 C ATOM 1702 C ASP A 110 1.573 -10.391 8.355 1.00 0.00 C ATOM 1703 O ASP A 110 0.960 -10.429 9.421 1.00 0.00 O ATOM 1704 CB ASP A 110 3.943 -9.926 9.011 1.00 0.00 C ATOM 1705 CG ASP A 110 4.065 -10.265 10.483 1.00 0.00 C ATOM 1706 OD1 ASP A 110 3.077 -10.068 11.220 1.00 0.00 O ATOM 1707 OD2 ASP A 110 5.149 -10.726 10.898 1.00 0.00 O ATOM 0 H ASP A 110 4.122 -10.330 6.575 1.00 0.00 H new ATOM 0 HA ASP A 110 3.069 -11.870 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 110 4.931 -9.952 8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.569 -8.907 8.905 1.00 0.00 H new ATOM 1712 N GLN A 111 1.041 -9.927 7.230 1.00 0.00 N ATOM 1713 CA GLN A 111 -0.327 -9.423 7.181 1.00 0.00 C ATOM 1714 C GLN A 111 -0.695 -8.726 8.487 1.00 0.00 C ATOM 1715 O GLN A 111 -1.759 -8.969 9.054 1.00 0.00 O ATOM 1716 CB GLN A 111 -1.304 -10.566 6.906 1.00 0.00 C ATOM 1717 CG GLN A 111 -1.072 -11.259 5.574 1.00 0.00 C ATOM 1718 CD GLN A 111 -2.313 -11.955 5.052 1.00 0.00 C ATOM 1719 OE1 GLN A 111 -2.356 -13.180 4.949 1.00 0.00 O ATOM 1720 NE2 GLN A 111 -3.333 -11.173 4.719 1.00 0.00 N ATOM 0 H GLN A 111 1.536 -9.889 6.339 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.393 -8.697 6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -1.224 -11.301 7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.322 -10.176 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -0.737 -10.525 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.270 -11.989 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.254 -10.161 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.195 -11.584 4.362 1.00 0.00 H new ATOM 1729 N GLY A 112 0.193 -7.857 8.959 1.00 0.00 N ATOM 1730 CA GLY A 112 -0.057 -7.138 10.196 1.00 0.00 C ATOM 1731 C GLY A 112 0.393 -5.692 10.126 1.00 0.00 C ATOM 1732 O GLY A 112 1.344 -5.363 9.418 1.00 0.00 O ATOM 0 H GLY A 112 1.081 -7.638 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.122 -7.173 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.461 -7.638 11.014 1.00 0.00 H new ATOM 1736 N VAL A 113 -0.294 -4.824 10.863 1.00 0.00 N ATOM 1737 CA VAL A 113 0.040 -3.405 10.882 1.00 0.00 C ATOM 1738 C VAL A 113 1.235 -3.133 11.791 1.00 0.00 C ATOM 1739 O VAL A 113 1.124 -3.195 13.016 1.00 0.00 O ATOM 1740 CB VAL A 113 -1.154 -2.553 11.354 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -0.784 -1.078 11.371 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -2.366 -2.798 10.467 1.00 0.00 C ATOM 0 H VAL A 113 -1.085 -5.079 11.454 1.00 0.00 H new ATOM 0 HA VAL A 113 0.294 -3.126 9.859 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.411 -2.849 12.371 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.640 -0.492 11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.053 -0.921 12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.500 -0.763 10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.200 -2.188 10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.124 -2.530 9.438 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.643 -3.851 10.512 1.00 0.00 H new ATOM 1752 N LYS A 114 2.377 -2.833 11.182 1.00 0.00 N ATOM 1753 CA LYS A 114 3.592 -2.549 11.935 1.00 0.00 C ATOM 1754 C LYS A 114 4.090 -1.135 11.653 1.00 0.00 C ATOM 1755 O LYS A 114 3.757 -0.542 10.626 1.00 0.00 O ATOM 1756 CB LYS A 114 4.683 -3.564 11.583 1.00 0.00 C ATOM 1757 CG LYS A 114 4.827 -3.808 10.090 1.00 0.00 C ATOM 1758 CD LYS A 114 5.700 -5.019 9.806 1.00 0.00 C ATOM 1759 CE LYS A 114 4.907 -6.314 9.902 1.00 0.00 C ATOM 1760 NZ LYS A 114 4.838 -6.820 11.300 1.00 0.00 N ATOM 0 H LYS A 114 2.486 -2.780 10.169 1.00 0.00 H new ATOM 0 HA LYS A 114 3.358 -2.628 12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.636 -3.213 11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.461 -4.510 12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.842 -3.956 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.260 -2.927 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.134 -4.930 8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.529 -5.045 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.897 -6.150 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.367 -7.069 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.027 -7.843 11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.549 -6.332 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.890 -6.640 11.688 1.00 0.00 H new ATOM 1774 N VAL A 115 4.890 -0.600 12.569 1.00 0.00 N ATOM 1775 CA VAL A 115 5.436 0.743 12.418 1.00 0.00 C ATOM 1776 C VAL A 115 6.666 0.739 11.517 1.00 0.00 C ATOM 1777 O VAL A 115 7.726 0.240 11.899 1.00 0.00 O ATOM 1778 CB VAL A 115 5.813 1.353 13.781 1.00 0.00 C ATOM 1779 CG1 VAL A 115 6.500 2.698 13.593 1.00 0.00 C ATOM 1780 CG2 VAL A 115 4.580 1.494 14.660 1.00 0.00 C ATOM 0 H VAL A 115 5.175 -1.077 13.425 1.00 0.00 H new ATOM 0 HA VAL A 115 4.656 1.351 11.960 1.00 0.00 H new ATOM 0 HB VAL A 115 6.512 0.681 14.279 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.759 3.114 14.567 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.407 2.564 13.003 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.827 3.381 13.074 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.865 1.927 15.619 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.856 2.144 14.169 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.135 0.512 14.822 1.00 0.00 H new ATOM 1790 N PHE A 116 6.519 1.298 10.320 1.00 0.00 N ATOM 1791 CA PHE A 116 7.619 1.358 9.365 1.00 0.00 C ATOM 1792 C PHE A 116 8.314 2.715 9.420 1.00 0.00 C ATOM 1793 O PHE A 116 7.723 3.713 9.837 1.00 0.00 O ATOM 1794 CB PHE A 116 7.106 1.093 7.948 1.00 0.00 C ATOM 1795 CG PHE A 116 6.786 -0.351 7.686 1.00 0.00 C ATOM 1796 CD1 PHE A 116 7.801 -1.270 7.471 1.00 0.00 C ATOM 1797 CD2 PHE A 116 5.474 -0.790 7.655 1.00 0.00 C ATOM 1798 CE1 PHE A 116 7.511 -2.599 7.229 1.00 0.00 C ATOM 1799 CE2 PHE A 116 5.176 -2.118 7.414 1.00 0.00 C ATOM 1800 CZ PHE A 116 6.196 -3.024 7.202 1.00 0.00 C ATOM 0 H PHE A 116 5.649 1.716 9.989 1.00 0.00 H new ATOM 0 HA PHE A 116 8.342 0.588 9.633 1.00 0.00 H new ATOM 0 HB2 PHE A 116 6.212 1.692 7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 116 7.856 1.427 7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 116 8.830 -0.944 7.493 1.00 0.00 H new ATOM 0 HD2 PHE A 116 4.672 -0.086 7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 116 8.311 -3.305 7.061 1.00 0.00 H new ATOM 0 HE2 PHE A 116 4.147 -2.446 7.392 1.00 0.00 H new ATOM 0 HZ PHE A 116 5.967 -4.063 7.015 1.00 0.00 H new ATOM 1810 N LEU A 117 9.574 2.746 8.999 1.00 0.00 N ATOM 1811 CA LEU A 117 10.352 3.979 9.001 1.00 0.00 C ATOM 1812 C LEU A 117 10.865 4.301 7.600 1.00 0.00 C ATOM 1813 O LEU A 117 10.997 3.414 6.758 1.00 0.00 O ATOM 1814 CB LEU A 117 11.527 3.863 9.973 1.00 0.00 C ATOM 1815 CG LEU A 117 12.141 5.182 10.444 1.00 0.00 C ATOM 1816 CD1 LEU A 117 11.471 5.655 11.725 1.00 0.00 C ATOM 1817 CD2 LEU A 117 13.640 5.028 10.650 1.00 0.00 C ATOM 0 H LEU A 117 10.078 1.930 8.652 1.00 0.00 H new ATOM 0 HA LEU A 117 9.700 4.790 9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.194 3.307 10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.309 3.271 9.498 1.00 0.00 H new ATOM 0 HG LEU A 117 11.976 5.934 9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.921 6.595 12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.406 5.805 11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.605 4.905 12.504 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.061 5.976 10.985 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.827 4.262 11.402 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.108 4.735 9.710 1.00 0.00 H new ATOM 1829 N ILE A 118 11.154 5.576 7.361 1.00 0.00 N ATOM 1830 CA ILE A 118 11.655 6.014 6.064 1.00 0.00 C ATOM 1831 C ILE A 118 12.881 6.909 6.223 1.00 0.00 C ATOM 1832 O ILE A 118 12.757 8.115 6.434 1.00 0.00 O ATOM 1833 CB ILE A 118 10.577 6.774 5.271 1.00 0.00 C ATOM 1834 CG1 ILE A 118 9.270 5.979 5.254 1.00 0.00 C ATOM 1835 CG2 ILE A 118 11.056 7.048 3.853 1.00 0.00 C ATOM 1836 CD1 ILE A 118 8.081 6.781 4.772 1.00 0.00 C ATOM 0 H ILE A 118 11.050 6.323 8.048 1.00 0.00 H new ATOM 0 HA ILE A 118 11.932 5.116 5.513 1.00 0.00 H new ATOM 0 HB ILE A 118 10.392 7.730 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.393 5.106 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.066 5.610 6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.282 7.586 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.963 7.651 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.266 6.104 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.189 6.154 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.932 7.639 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.264 7.128 3.755 1.00 0.00 H new ATOM 1848 N SER A 119 14.062 6.309 6.117 1.00 0.00 N ATOM 1849 CA SER A 119 15.310 7.051 6.251 1.00 0.00 C ATOM 1850 C SER A 119 15.748 7.625 4.907 1.00 0.00 C ATOM 1851 O SER A 119 16.313 6.919 4.072 1.00 0.00 O ATOM 1852 CB SER A 119 16.408 6.148 6.814 1.00 0.00 C ATOM 1853 OG SER A 119 17.615 6.866 7.000 1.00 0.00 O ATOM 0 H SER A 119 14.181 5.312 5.939 1.00 0.00 H new ATOM 0 HA SER A 119 15.140 7.877 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 119 16.083 5.725 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.579 5.313 6.135 1.00 0.00 H new ATOM 0 HG SER A 119 18.300 6.266 7.362 1.00 0.00 H new ATOM 1859 N ALA A 120 15.481 8.911 4.704 1.00 0.00 N ATOM 1860 CA ALA A 120 15.848 9.582 3.463 1.00 0.00 C ATOM 1861 C ALA A 120 16.540 10.912 3.742 1.00 0.00 C ATOM 1862 O ALA A 120 16.602 11.363 4.885 1.00 0.00 O ATOM 1863 CB ALA A 120 14.617 9.796 2.595 1.00 0.00 C ATOM 0 H ALA A 120 15.011 9.509 5.384 1.00 0.00 H new ATOM 0 HA ALA A 120 16.550 8.943 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.906 10.298 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.167 8.832 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 120 13.895 10.412 3.132 1.00 0.00 H new ATOM 1869 N SER A 121 17.059 11.535 2.688 1.00 0.00 N ATOM 1870 CA SER A 121 17.751 12.812 2.821 1.00 0.00 C ATOM 1871 C SER A 121 16.776 13.920 3.208 1.00 0.00 C ATOM 1872 O SER A 121 15.624 13.927 2.777 1.00 0.00 O ATOM 1873 CB SER A 121 18.455 13.173 1.511 1.00 0.00 C ATOM 1874 OG SER A 121 19.538 14.057 1.741 1.00 0.00 O ATOM 0 H SER A 121 17.013 11.177 1.734 1.00 0.00 H new ATOM 0 HA SER A 121 18.495 12.713 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 121 18.818 12.266 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 121 17.743 13.635 0.827 1.00 0.00 H new ATOM 0 HG SER A 121 19.972 14.271 0.889 1.00 0.00 H new ATOM 1880 N SER A 122 17.249 14.857 4.025 1.00 0.00 N ATOM 1881 CA SER A 122 16.420 15.968 4.476 1.00 0.00 C ATOM 1882 C SER A 122 15.490 16.439 3.361 1.00 0.00 C ATOM 1883 O SER A 122 14.375 16.893 3.616 1.00 0.00 O ATOM 1884 CB SER A 122 17.297 17.128 4.948 1.00 0.00 C ATOM 1885 OG SER A 122 17.788 17.876 3.848 1.00 0.00 O ATOM 0 H SER A 122 18.202 14.868 4.388 1.00 0.00 H new ATOM 0 HA SER A 122 15.812 15.620 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 122 16.722 17.779 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.133 16.742 5.532 1.00 0.00 H new ATOM 0 HG SER A 122 18.345 18.613 4.176 1.00 0.00 H new ATOM 1891 N LYS A 123 15.959 16.326 2.122 1.00 0.00 N ATOM 1892 CA LYS A 123 15.171 16.738 0.965 1.00 0.00 C ATOM 1893 C LYS A 123 14.121 15.688 0.621 1.00 0.00 C ATOM 1894 O LYS A 123 12.923 15.971 0.622 1.00 0.00 O ATOM 1895 CB LYS A 123 16.084 16.977 -0.239 1.00 0.00 C ATOM 1896 CG LYS A 123 15.330 17.269 -1.525 1.00 0.00 C ATOM 1897 CD LYS A 123 14.768 18.681 -1.535 1.00 0.00 C ATOM 1898 CE LYS A 123 13.982 18.959 -2.806 1.00 0.00 C ATOM 1899 NZ LYS A 123 14.877 19.296 -3.949 1.00 0.00 N ATOM 0 H LYS A 123 16.880 15.953 1.893 1.00 0.00 H new ATOM 0 HA LYS A 123 14.660 17.668 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.749 17.812 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.713 16.099 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.997 17.136 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.517 16.552 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.122 18.823 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.583 19.399 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.381 18.086 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.289 19.782 -2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.303 19.479 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.432 20.144 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.521 18.500 -4.132 1.00 0.00 H new ATOM 1913 N ASP A 124 14.578 14.476 0.327 1.00 0.00 N ATOM 1914 CA ASP A 124 13.676 13.383 -0.019 1.00 0.00 C ATOM 1915 C ASP A 124 12.642 13.163 1.081 1.00 0.00 C ATOM 1916 O ASP A 124 11.438 13.159 0.825 1.00 0.00 O ATOM 1917 CB ASP A 124 14.468 12.095 -0.254 1.00 0.00 C ATOM 1918 CG ASP A 124 15.224 12.114 -1.568 1.00 0.00 C ATOM 1919 OD1 ASP A 124 14.627 12.511 -2.591 1.00 0.00 O ATOM 1920 OD2 ASP A 124 16.413 11.732 -1.574 1.00 0.00 O ATOM 0 H ASP A 124 15.567 14.225 0.321 1.00 0.00 H new ATOM 0 HA ASP A 124 13.153 13.653 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.172 11.950 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 124 13.786 11.245 -0.242 1.00 0.00 H new ATOM 1925 N THR A 125 13.120 12.981 2.309 1.00 0.00 N ATOM 1926 CA THR A 125 12.237 12.758 3.447 1.00 0.00 C ATOM 1927 C THR A 125 11.014 13.665 3.380 1.00 0.00 C ATOM 1928 O THR A 125 9.880 13.207 3.514 1.00 0.00 O ATOM 1929 CB THR A 125 12.969 13.000 4.780 1.00 0.00 C ATOM 1930 OG1 THR A 125 14.146 12.187 4.848 1.00 0.00 O ATOM 1931 CG2 THR A 125 12.062 12.686 5.960 1.00 0.00 C ATOM 0 H THR A 125 14.113 12.984 2.540 1.00 0.00 H new ATOM 0 HA THR A 125 11.917 11.717 3.400 1.00 0.00 H new ATOM 0 HB THR A 125 13.251 14.052 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.932 12.731 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.601 12.864 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 125 11.181 13.327 5.922 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.753 11.642 5.914 1.00 0.00 H new ATOM 1939 N GLY A 126 11.252 14.958 3.171 1.00 0.00 N ATOM 1940 CA GLY A 126 10.160 15.909 3.089 1.00 0.00 C ATOM 1941 C GLY A 126 9.162 15.554 2.004 1.00 0.00 C ATOM 1942 O GLY A 126 7.952 15.610 2.222 1.00 0.00 O ATOM 0 H GLY A 126 12.182 15.362 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.647 15.952 4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.562 16.904 2.897 1.00 0.00 H new ATOM 1946 N GLN A 127 9.671 15.191 0.830 1.00 0.00 N ATOM 1947 CA GLN A 127 8.815 14.829 -0.294 1.00 0.00 C ATOM 1948 C GLN A 127 7.889 13.675 0.078 1.00 0.00 C ATOM 1949 O GLN A 127 6.665 13.811 0.037 1.00 0.00 O ATOM 1950 CB GLN A 127 9.665 14.446 -1.506 1.00 0.00 C ATOM 1951 CG GLN A 127 10.111 15.639 -2.336 1.00 0.00 C ATOM 1952 CD GLN A 127 11.119 15.262 -3.404 1.00 0.00 C ATOM 1953 OE1 GLN A 127 10.761 14.709 -4.445 1.00 0.00 O ATOM 1954 NE2 GLN A 127 12.388 15.561 -3.153 1.00 0.00 N ATOM 0 H GLN A 127 10.671 15.140 0.633 1.00 0.00 H new ATOM 0 HA GLN A 127 8.203 15.695 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 127 10.545 13.902 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 127 9.095 13.766 -2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 127 9.240 16.094 -2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 127 10.547 16.391 -1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 127 12.640 16.019 -2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 127 13.110 15.332 -3.836 1.00 0.00 H new ATOM 1963 N LEU A 128 8.479 12.541 0.438 1.00 0.00 N ATOM 1964 CA LEU A 128 7.707 11.363 0.816 1.00 0.00 C ATOM 1965 C LEU A 128 6.660 11.712 1.869 1.00 0.00 C ATOM 1966 O LEU A 128 5.458 11.673 1.603 1.00 0.00 O ATOM 1967 CB LEU A 128 8.635 10.269 1.347 1.00 0.00 C ATOM 1968 CG LEU A 128 8.137 8.832 1.191 1.00 0.00 C ATOM 1969 CD1 LEU A 128 6.951 8.576 2.108 1.00 0.00 C ATOM 1970 CD2 LEU A 128 7.764 8.550 -0.257 1.00 0.00 C ATOM 0 H LEU A 128 9.490 12.412 0.476 1.00 0.00 H new ATOM 0 HA LEU A 128 7.194 10.996 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.595 10.357 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 128 8.816 10.457 2.405 1.00 0.00 H new ATOM 0 HG LEU A 128 8.943 8.156 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.610 7.548 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 128 7.251 8.736 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 128 6.141 9.260 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 128 7.412 7.523 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 128 6.974 9.233 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 128 8.638 8.692 -0.892 1.00 0.00 H new ATOM 1982 N TYR A 129 7.125 12.056 3.065 1.00 0.00 N ATOM 1983 CA TYR A 129 6.229 12.414 4.159 1.00 0.00 C ATOM 1984 C TYR A 129 5.152 13.385 3.686 1.00 0.00 C ATOM 1985 O TYR A 129 3.959 13.088 3.751 1.00 0.00 O ATOM 1986 CB TYR A 129 7.019 13.033 5.312 1.00 0.00 C ATOM 1987 CG TYR A 129 6.152 13.738 6.331 1.00 0.00 C ATOM 1988 CD1 TYR A 129 5.323 13.018 7.182 1.00 0.00 C ATOM 1989 CD2 TYR A 129 6.161 15.122 6.442 1.00 0.00 C ATOM 1990 CE1 TYR A 129 4.529 13.657 8.115 1.00 0.00 C ATOM 1991 CE2 TYR A 129 5.372 15.770 7.373 1.00 0.00 C ATOM 1992 CZ TYR A 129 4.557 15.032 8.206 1.00 0.00 C ATOM 1993 OH TYR A 129 3.767 15.674 9.133 1.00 0.00 O ATOM 0 H TYR A 129 8.116 12.095 3.302 1.00 0.00 H new ATOM 0 HA TYR A 129 5.743 11.503 4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.589 12.250 5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.740 13.743 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.299 11.940 7.113 1.00 0.00 H new ATOM 0 HD2 TYR A 129 6.796 15.702 5.789 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.890 13.082 8.769 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.393 16.847 7.448 1.00 0.00 H new ATOM 0 HH TYR A 129 3.906 16.642 9.067 1.00 0.00 H new ATOM 2003 N ALA A 130 5.582 14.549 3.209 1.00 0.00 N ATOM 2004 CA ALA A 130 4.656 15.565 2.723 1.00 0.00 C ATOM 2005 C ALA A 130 3.531 14.936 1.907 1.00 0.00 C ATOM 2006 O ALA A 130 2.361 15.275 2.081 1.00 0.00 O ATOM 2007 CB ALA A 130 5.398 16.600 1.891 1.00 0.00 C ATOM 0 H ALA A 130 6.566 14.812 3.149 1.00 0.00 H new ATOM 0 HA ALA A 130 4.211 16.060 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.695 17.352 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.162 17.079 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.870 16.111 1.038 1.00 0.00 H new ATOM 2013 N ALA A 131 3.894 14.019 1.016 1.00 0.00 N ATOM 2014 CA ALA A 131 2.914 13.343 0.175 1.00 0.00 C ATOM 2015 C ALA A 131 1.953 12.507 1.014 1.00 0.00 C ATOM 2016 O ALA A 131 0.747 12.762 1.033 1.00 0.00 O ATOM 2017 CB ALA A 131 3.616 12.468 -0.853 1.00 0.00 C ATOM 0 H ALA A 131 4.859 13.728 0.858 1.00 0.00 H new ATOM 0 HA ALA A 131 2.333 14.104 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.872 11.969 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 131 4.257 13.087 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 131 4.222 11.720 -0.341 1.00 0.00 H new ATOM 2023 N LEU A 132 2.492 11.511 1.706 1.00 0.00 N ATOM 2024 CA LEU A 132 1.681 10.637 2.547 1.00 0.00 C ATOM 2025 C LEU A 132 0.582 11.426 3.252 1.00 0.00 C ATOM 2026 O LEU A 132 -0.598 11.294 2.925 1.00 0.00 O ATOM 2027 CB LEU A 132 2.561 9.932 3.581 1.00 0.00 C ATOM 2028 CG LEU A 132 3.201 8.617 3.134 1.00 0.00 C ATOM 2029 CD1 LEU A 132 2.291 7.443 3.460 1.00 0.00 C ATOM 2030 CD2 LEU A 132 3.513 8.656 1.645 1.00 0.00 C ATOM 0 H LEU A 132 3.487 11.288 1.702 1.00 0.00 H new ATOM 0 HA LEU A 132 1.213 9.890 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.355 10.616 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.959 9.736 4.468 1.00 0.00 H new ATOM 0 HG LEU A 132 4.137 8.486 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.763 6.516 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 132 2.118 7.404 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.339 7.566 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.968 7.712 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.591 8.810 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.204 9.474 1.439 1.00 0.00 H new ATOM 2042 N HIS A 133 0.977 12.248 4.218 1.00 0.00 N ATOM 2043 CA HIS A 133 0.026 13.060 4.967 1.00 0.00 C ATOM 2044 C HIS A 133 -1.149 13.474 4.085 1.00 0.00 C ATOM 2045 O HIS A 133 -2.277 13.021 4.281 1.00 0.00 O ATOM 2046 CB HIS A 133 0.716 14.302 5.532 1.00 0.00 C ATOM 2047 CG HIS A 133 0.028 14.876 6.733 1.00 0.00 C ATOM 2048 ND1 HIS A 133 -0.124 16.231 6.936 1.00 0.00 N ATOM 2049 CD2 HIS A 133 -0.550 14.270 7.796 1.00 0.00 C ATOM 2050 CE1 HIS A 133 -0.765 16.435 8.073 1.00 0.00 C ATOM 2051 NE2 HIS A 133 -1.036 15.260 8.614 1.00 0.00 N ATOM 0 H HIS A 133 1.950 12.369 4.501 1.00 0.00 H new ATOM 0 HA HIS A 133 -0.356 12.459 5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 133 1.742 14.048 5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 133 0.768 15.064 4.754 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -0.617 13.206 7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -1.023 17.397 8.489 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -1.527 15.113 9.496 1.00 0.00 H new ATOM 2059 N HIS A 134 -0.875 14.337 3.111 1.00 0.00 N ATOM 2060 CA HIS A 134 -1.908 14.813 2.199 1.00 0.00 C ATOM 2061 C HIS A 134 -2.830 13.671 1.779 1.00 0.00 C ATOM 2062 O HIS A 134 -4.033 13.702 2.039 1.00 0.00 O ATOM 2063 CB HIS A 134 -1.273 15.450 0.963 1.00 0.00 C ATOM 2064 CG HIS A 134 -2.236 15.662 -0.165 1.00 0.00 C ATOM 2065 ND1 HIS A 134 -2.729 16.902 -0.512 1.00 0.00 N ATOM 2066 CD2 HIS A 134 -2.797 14.781 -1.027 1.00 0.00 C ATOM 2067 CE1 HIS A 134 -3.552 16.775 -1.538 1.00 0.00 C ATOM 2068 NE2 HIS A 134 -3.610 15.498 -1.870 1.00 0.00 N ATOM 0 H HIS A 134 0.053 14.720 2.934 1.00 0.00 H new ATOM 0 HA HIS A 134 -2.501 15.563 2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -0.837 16.409 1.242 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -0.456 14.817 0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -2.635 13.713 -1.048 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -4.086 17.579 -2.023 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -4.168 15.108 -2.629 1.00 0.00 H new ATOM 2076 N ARG A 135 -2.257 12.664 1.127 1.00 0.00 N ATOM 2077 CA ARG A 135 -3.027 11.512 0.670 1.00 0.00 C ATOM 2078 C ARG A 135 -4.124 11.162 1.670 1.00 0.00 C ATOM 2079 O ARG A 135 -5.241 10.814 1.284 1.00 0.00 O ATOM 2080 CB ARG A 135 -2.107 10.308 0.461 1.00 0.00 C ATOM 2081 CG ARG A 135 -0.983 10.565 -0.528 1.00 0.00 C ATOM 2082 CD ARG A 135 -1.506 10.665 -1.952 1.00 0.00 C ATOM 2083 NE ARG A 135 -0.719 11.594 -2.760 1.00 0.00 N ATOM 2084 CZ ARG A 135 -1.028 11.926 -4.009 1.00 0.00 C ATOM 2085 NH1 ARG A 135 -2.102 11.409 -4.588 1.00 0.00 N ATOM 2086 NH2 ARG A 135 -0.262 12.778 -4.678 1.00 0.00 N ATOM 0 H ARG A 135 -1.263 12.622 0.903 1.00 0.00 H new ATOM 0 HA ARG A 135 -3.495 11.771 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.677 10.019 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.701 9.464 0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -0.468 11.488 -0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.250 9.761 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.489 9.678 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.546 10.991 -1.934 1.00 0.00 H new ATOM 0 HE ARG A 135 0.113 12.010 -2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -2.693 10.755 -4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -2.338 11.665 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 135 0.564 13.178 -4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -0.499 13.033 -5.637 1.00 0.00 H new ATOM 2100 N ILE A 136 -3.799 11.253 2.955 1.00 0.00 N ATOM 2101 CA ILE A 136 -4.757 10.946 4.009 1.00 0.00 C ATOM 2102 C ILE A 136 -5.649 12.146 4.309 1.00 0.00 C ATOM 2103 O ILE A 136 -6.865 12.011 4.452 1.00 0.00 O ATOM 2104 CB ILE A 136 -4.048 10.510 5.305 1.00 0.00 C ATOM 2105 CG1 ILE A 136 -3.335 9.172 5.097 1.00 0.00 C ATOM 2106 CG2 ILE A 136 -5.046 10.413 6.448 1.00 0.00 C ATOM 2107 CD1 ILE A 136 -1.942 9.312 4.524 1.00 0.00 C ATOM 0 H ILE A 136 -2.879 11.537 3.291 1.00 0.00 H new ATOM 0 HA ILE A 136 -5.371 10.122 3.646 1.00 0.00 H new ATOM 0 HB ILE A 136 -3.302 11.261 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -3.276 8.649 6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -3.933 8.551 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -4.530 10.104 7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -5.511 11.386 6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -5.814 9.680 6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.497 8.324 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -1.996 9.807 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.328 9.906 5.201 1.00 0.00 H new ATOM 2119 N LEU A 137 -5.036 13.322 4.403 1.00 0.00 N ATOM 2120 CA LEU A 137 -5.774 14.548 4.685 1.00 0.00 C ATOM 2121 C LEU A 137 -7.011 14.655 3.799 1.00 0.00 C ATOM 2122 O LEU A 137 -8.014 15.252 4.187 1.00 0.00 O ATOM 2123 CB LEU A 137 -4.875 15.767 4.474 1.00 0.00 C ATOM 2124 CG LEU A 137 -3.592 15.807 5.304 1.00 0.00 C ATOM 2125 CD1 LEU A 137 -2.753 17.020 4.933 1.00 0.00 C ATOM 2126 CD2 LEU A 137 -3.918 15.816 6.790 1.00 0.00 C ATOM 0 H LEU A 137 -4.031 13.452 4.288 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.097 14.518 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -4.603 15.815 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -5.455 16.663 4.695 1.00 0.00 H new ATOM 0 HG LEU A 137 -3.013 14.910 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -1.844 17.031 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.489 16.970 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -3.324 17.929 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -2.993 15.845 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.519 16.694 7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.476 14.915 7.045 1.00 0.00 H new ATOM 2138 N ALA A 138 -6.932 14.070 2.608 1.00 0.00 N ATOM 2139 CA ALA A 138 -8.047 14.095 1.670 1.00 0.00 C ATOM 2140 C ALA A 138 -9.117 13.082 2.060 1.00 0.00 C ATOM 2141 O ALA A 138 -10.305 13.286 1.801 1.00 0.00 O ATOM 2142 CB ALA A 138 -7.553 13.825 0.256 1.00 0.00 C ATOM 0 H ALA A 138 -6.108 13.573 2.270 1.00 0.00 H new ATOM 0 HA ALA A 138 -8.495 15.088 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -8.396 13.847 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -6.831 14.590 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -7.078 12.845 0.218 1.00 0.00 H new ATOM 2148 N LEU A 139 -8.691 11.990 2.686 1.00 0.00 N ATOM 2149 CA LEU A 139 -9.615 10.944 3.112 1.00 0.00 C ATOM 2150 C LEU A 139 -10.330 11.340 4.400 1.00 0.00 C ATOM 2151 O LEU A 139 -11.559 11.379 4.451 1.00 0.00 O ATOM 2152 CB LEU A 139 -8.864 9.626 3.317 1.00 0.00 C ATOM 2153 CG LEU A 139 -7.716 9.350 2.345 1.00 0.00 C ATOM 2154 CD1 LEU A 139 -7.067 8.010 2.654 1.00 0.00 C ATOM 2155 CD2 LEU A 139 -8.217 9.383 0.908 1.00 0.00 C ATOM 0 H LEU A 139 -7.713 11.806 2.910 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.362 10.812 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.466 9.612 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -9.580 8.808 3.244 1.00 0.00 H new ATOM 0 HG LEU A 139 -6.965 10.131 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.252 7.830 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.675 8.022 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.808 7.216 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -7.388 9.185 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.986 8.622 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.636 10.365 0.691 1.00 0.00 H new ATOM 2167 N ARG A 140 -9.552 11.635 5.435 1.00 0.00 N ATOM 2168 CA ARG A 140 -10.111 12.030 6.724 1.00 0.00 C ATOM 2169 C ARG A 140 -11.227 13.054 6.540 1.00 0.00 C ATOM 2170 O ARG A 140 -12.151 13.132 7.351 1.00 0.00 O ATOM 2171 CB ARG A 140 -9.017 12.607 7.623 1.00 0.00 C ATOM 2172 CG ARG A 140 -8.129 13.624 6.926 1.00 0.00 C ATOM 2173 CD ARG A 140 -7.552 14.628 7.912 1.00 0.00 C ATOM 2174 NE ARG A 140 -8.594 15.423 8.557 1.00 0.00 N ATOM 2175 CZ ARG A 140 -8.350 16.528 9.252 1.00 0.00 C ATOM 2176 NH1 ARG A 140 -7.107 16.968 9.390 1.00 0.00 N ATOM 2177 NH2 ARG A 140 -9.352 17.197 9.809 1.00 0.00 N ATOM 0 H ARG A 140 -8.533 11.608 5.408 1.00 0.00 H new ATOM 0 HA ARG A 140 -10.530 11.143 7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -9.481 13.077 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.397 11.791 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.317 13.109 6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.705 14.150 6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.976 14.100 8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.860 15.291 7.392 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.562 15.113 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.335 16.457 8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.923 17.817 9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.310 16.862 9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.164 18.046 10.343 1.00 0.00 H new ATOM 2191 N SER A 141 -11.135 13.837 5.470 1.00 0.00 N ATOM 2192 CA SER A 141 -12.134 14.859 5.182 1.00 0.00 C ATOM 2193 C SER A 141 -13.454 14.224 4.756 1.00 0.00 C ATOM 2194 O SER A 141 -14.516 14.559 5.283 1.00 0.00 O ATOM 2195 CB SER A 141 -11.631 15.800 4.087 1.00 0.00 C ATOM 2196 OG SER A 141 -12.620 16.755 3.739 1.00 0.00 O ATOM 0 H SER A 141 -10.378 13.783 4.788 1.00 0.00 H new ATOM 0 HA SER A 141 -12.304 15.432 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 141 -10.731 16.312 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 141 -11.354 15.222 3.206 1.00 0.00 H new ATOM 0 HG SER A 141 -12.273 17.345 3.038 1.00 0.00 H new ATOM 2202 N ARG A 142 -13.380 13.306 3.799 1.00 0.00 N ATOM 2203 CA ARG A 142 -14.567 12.624 3.300 1.00 0.00 C ATOM 2204 C ARG A 142 -15.435 12.129 4.453 1.00 0.00 C ATOM 2205 O ARG A 142 -16.636 12.395 4.500 1.00 0.00 O ATOM 2206 CB ARG A 142 -14.170 11.448 2.406 1.00 0.00 C ATOM 2207 CG ARG A 142 -13.160 11.815 1.330 1.00 0.00 C ATOM 2208 CD ARG A 142 -13.278 10.902 0.120 1.00 0.00 C ATOM 2209 NE ARG A 142 -12.415 9.730 0.233 1.00 0.00 N ATOM 2210 CZ ARG A 142 -12.765 8.618 0.870 1.00 0.00 C ATOM 2211 NH1 ARG A 142 -13.956 8.527 1.447 1.00 0.00 N ATOM 2212 NH2 ARG A 142 -11.925 7.592 0.929 1.00 0.00 N ATOM 0 H ARG A 142 -12.509 13.017 3.353 1.00 0.00 H new ATOM 0 HA ARG A 142 -15.144 13.338 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -13.754 10.654 3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -15.065 11.046 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.314 12.849 1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -12.152 11.750 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -14.313 10.580 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -13.018 11.458 -0.781 1.00 0.00 H new ATOM 0 HE ARG A 142 -11.493 9.767 -0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -14.606 9.312 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -14.222 7.672 1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -11.009 7.657 0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -12.195 6.739 1.419 1.00 0.00 H new