USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 TYR OH : rot -2:sc= 1.49 USER MOD Set 1.2: A 123 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0.525) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= -0.0572 (180deg=-0.32) USER MOD Single : A 25 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.57) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -0.02 (180deg=-0.158) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0576) USER MOD Single : A 44 SER OG : rot 82:sc= 0.821 USER MOD Single : A 46 MET CE :methyl 176:sc= -1.71 (180deg=-1.76) USER MOD Single : A 47 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0258 (180deg=-0.187) USER MOD Single : A 51 THR OG1 : rot -141:sc= 0.0495 USER MOD Single : A 54 ASN : amide:sc= 0.392 K(o=0.39,f=-6.6!) USER MOD Single : A 59 MET CE :methyl -139:sc= -0.803 (180deg=-1.49) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.36) USER MOD Single : A 68 MET CE :methyl -165:sc= -0.0778 (180deg=-0.433) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -78:sc= 0.81 USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= 1.14 (180deg=0.762) USER MOD Single : A 84 ASN : amide:sc= -0.0653 K(o=-0.065,f=-0.57) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= -0.0888 (180deg=-0.366) USER MOD Single : A 92 THR OG1 : rot 77:sc= 1 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.26) USER MOD Single : A 99 THR OG1 : rot -31:sc= -0.236 USER MOD Single : A 100 SER OG : rot 180:sc=0.000996 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 70:sc= 0.00252 USER MOD Single : A 111 GLN : amide:sc= -2.43 K(o=-2.4,f=-1.4) USER MOD Single : A 112 TYR OH : rot -8:sc= 0.942 USER MOD Single : A 113 MET CE :methyl -176:sc= -2.36 (180deg=-2.39) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 153:sc= 1.26 USER MOD Single : A 117 TYR OH : rot 36:sc= -0.031 USER MOD Single : A 121 CYS SG : rot 67:sc= 0.15 USER MOD Single : A 127 SER OG : rot -99:sc= 0.448 USER MOD Single : A 128 ASN : amide:sc= 0.791 K(o=0.79,f=-0.072) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= 0.0949 X(o=0.095,f=-0.087) USER MOD Single : A 138 SER OG : rot 71:sc= 0.0908 USER MOD Single : A 139 ASN : amide:sc= -1.53! C(o=-1.5!,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 350 N PHE A 23 -5.069 -18.456 1.175 1.00 24.01 N ATOM 351 CA PHE A 23 -3.783 -18.477 1.883 1.00 54.44 C ATOM 352 C PHE A 23 -3.960 -17.951 3.321 1.00 15.12 C ATOM 353 O PHE A 23 -3.923 -16.743 3.572 1.00 44.04 O ATOM 354 CB PHE A 23 -2.755 -17.639 1.108 1.00 50.25 C ATOM 355 CG PHE A 23 -1.316 -17.895 1.484 1.00 62.44 C ATOM 356 CD1 PHE A 23 -0.689 -19.074 1.108 1.00 44.42 C ATOM 357 CD2 PHE A 23 -0.584 -16.950 2.192 1.00 20.51 C ATOM 358 CE1 PHE A 23 0.635 -19.306 1.428 1.00 62.32 C ATOM 359 CE2 PHE A 23 0.740 -17.180 2.516 1.00 52.24 C ATOM 360 CZ PHE A 23 1.350 -18.359 2.133 1.00 0.02 C ATOM 0 HA PHE A 23 -3.417 -19.502 1.944 1.00 54.44 H new ATOM 0 HB2 PHE A 23 -2.877 -17.834 0.043 1.00 50.25 H new ATOM 0 HB3 PHE A 23 -2.975 -16.583 1.266 1.00 50.25 H new ATOM 0 HD1 PHE A 23 -1.243 -19.820 0.558 1.00 44.42 H new ATOM 0 HD2 PHE A 23 -1.055 -16.026 2.493 1.00 20.51 H new ATOM 0 HE1 PHE A 23 1.110 -20.228 1.127 1.00 62.32 H new ATOM 0 HE2 PHE A 23 1.298 -16.438 3.068 1.00 52.24 H new ATOM 0 HZ PHE A 23 2.385 -18.539 2.385 1.00 0.02 H new ATOM 370 N LYS A 24 -4.162 -18.880 4.255 1.00 2.23 N ATOM 371 CA LYS A 24 -4.553 -18.557 5.635 1.00 13.53 C ATOM 372 C LYS A 24 -3.491 -17.727 6.382 1.00 63.14 C ATOM 373 O LYS A 24 -3.821 -16.973 7.302 1.00 63.23 O ATOM 374 CB LYS A 24 -4.838 -19.859 6.401 1.00 72.24 C ATOM 375 CG LYS A 24 -5.427 -19.651 7.793 1.00 61.54 C ATOM 376 CD LYS A 24 -6.801 -18.989 7.741 1.00 30.40 C ATOM 377 CE LYS A 24 -7.404 -18.837 9.133 1.00 52.21 C ATOM 378 NZ LYS A 24 -7.582 -20.148 9.805 1.00 11.14 N ATOM 0 H LYS A 24 -4.060 -19.880 4.080 1.00 2.23 H new ATOM 0 HA LYS A 24 -5.451 -17.941 5.583 1.00 13.53 H new ATOM 0 HB2 LYS A 24 -5.526 -20.469 5.815 1.00 72.24 H new ATOM 0 HB3 LYS A 24 -3.910 -20.424 6.492 1.00 72.24 H new ATOM 0 HG2 LYS A 24 -5.507 -20.613 8.300 1.00 61.54 H new ATOM 0 HG3 LYS A 24 -4.750 -19.035 8.384 1.00 61.54 H new ATOM 0 HD2 LYS A 24 -6.716 -18.009 7.272 1.00 30.40 H new ATOM 0 HD3 LYS A 24 -7.469 -19.584 7.118 1.00 30.40 H new ATOM 0 HE2 LYS A 24 -6.759 -18.202 9.741 1.00 52.21 H new ATOM 0 HE3 LYS A 24 -8.368 -18.334 9.058 1.00 52.21 H new ATOM 0 HZ1 LYS A 24 -8.215 -20.036 10.623 1.00 11.14 H new ATOM 0 HZ2 LYS A 24 -7.998 -20.827 9.136 1.00 11.14 H new ATOM 0 HZ3 LYS A 24 -6.658 -20.501 10.128 1.00 11.14 H new ATOM 392 N GLN A 25 -2.229 -17.858 5.977 1.00 32.33 N ATOM 393 CA GLN A 25 -1.115 -17.171 6.653 1.00 63.01 C ATOM 394 C GLN A 25 -1.378 -15.664 6.834 1.00 73.43 C ATOM 395 O GLN A 25 -1.118 -15.112 7.903 1.00 12.21 O ATOM 396 CB GLN A 25 0.191 -17.390 5.877 1.00 11.04 C ATOM 397 CG GLN A 25 1.430 -16.771 6.531 1.00 72.54 C ATOM 398 CD GLN A 25 1.708 -17.317 7.925 1.00 33.43 C ATOM 399 OE1 GLN A 25 1.369 -18.452 8.244 1.00 54.11 O ATOM 400 NE2 GLN A 25 2.348 -16.522 8.760 1.00 21.43 N ATOM 0 H GLN A 25 -1.946 -18.433 5.184 1.00 32.33 H new ATOM 0 HA GLN A 25 -1.026 -17.605 7.649 1.00 63.01 H new ATOM 0 HB2 GLN A 25 0.354 -18.461 5.760 1.00 11.04 H new ATOM 0 HB3 GLN A 25 0.078 -16.974 4.876 1.00 11.04 H new ATOM 0 HG2 GLN A 25 2.297 -16.954 5.897 1.00 72.54 H new ATOM 0 HG3 GLN A 25 1.300 -15.690 6.590 1.00 72.54 H new ATOM 0 HE21 GLN A 25 2.617 -15.583 8.466 1.00 21.43 H new ATOM 0 HE22 GLN A 25 2.574 -16.846 9.700 1.00 21.43 H new ATOM 409 N LEU A 26 -1.910 -15.009 5.799 1.00 21.42 N ATOM 410 CA LEU A 26 -2.220 -13.570 5.869 1.00 33.34 C ATOM 411 C LEU A 26 -3.162 -13.247 7.041 1.00 55.25 C ATOM 412 O LEU A 26 -3.038 -12.204 7.688 1.00 73.11 O ATOM 413 CB LEU A 26 -2.850 -13.082 4.555 1.00 71.42 C ATOM 414 CG LEU A 26 -1.904 -13.022 3.343 1.00 55.24 C ATOM 415 CD1 LEU A 26 -2.636 -12.494 2.111 1.00 71.31 C ATOM 416 CD2 LEU A 26 -0.684 -12.156 3.655 1.00 42.32 C ATOM 0 H LEU A 26 -2.136 -15.445 4.905 1.00 21.42 H new ATOM 0 HA LEU A 26 -1.277 -13.049 6.032 1.00 33.34 H new ATOM 0 HB2 LEU A 26 -3.685 -13.738 4.309 1.00 71.42 H new ATOM 0 HB3 LEU A 26 -3.264 -12.087 4.719 1.00 71.42 H new ATOM 0 HG LEU A 26 -1.561 -14.034 3.128 1.00 55.24 H new ATOM 0 HD11 LEU A 26 -1.948 -12.460 1.266 1.00 71.31 H new ATOM 0 HD12 LEU A 26 -3.471 -13.153 1.873 1.00 71.31 H new ATOM 0 HD13 LEU A 26 -3.012 -11.491 2.313 1.00 71.31 H new ATOM 0 HD21 LEU A 26 -0.027 -12.126 2.786 1.00 42.32 H new ATOM 0 HD22 LEU A 26 -1.009 -11.145 3.900 1.00 42.32 H new ATOM 0 HD23 LEU A 26 -0.145 -12.579 4.503 1.00 42.32 H new ATOM 428 N TYR A 27 -4.091 -14.156 7.312 1.00 1.12 N ATOM 429 CA TYR A 27 -5.081 -13.971 8.377 1.00 55.51 C ATOM 430 C TYR A 27 -4.472 -14.243 9.762 1.00 64.33 C ATOM 431 O TYR A 27 -4.873 -13.642 10.761 1.00 24.13 O ATOM 432 CB TYR A 27 -6.276 -14.905 8.142 1.00 11.30 C ATOM 433 CG TYR A 27 -6.909 -14.755 6.768 1.00 13.21 C ATOM 434 CD1 TYR A 27 -6.394 -15.428 5.664 1.00 21.11 C ATOM 435 CD2 TYR A 27 -8.017 -13.938 6.574 1.00 41.42 C ATOM 436 CE1 TYR A 27 -6.963 -15.290 4.413 1.00 24.35 C ATOM 437 CE2 TYR A 27 -8.592 -13.797 5.326 1.00 23.03 C ATOM 438 CZ TYR A 27 -8.061 -14.476 4.246 1.00 3.03 C ATOM 439 OH TYR A 27 -8.628 -14.340 2.998 1.00 43.34 O ATOM 0 H TYR A 27 -4.183 -15.037 6.807 1.00 1.12 H new ATOM 0 HA TYR A 27 -5.414 -12.934 8.353 1.00 55.51 H new ATOM 0 HB2 TYR A 27 -5.950 -15.937 8.271 1.00 11.30 H new ATOM 0 HB3 TYR A 27 -7.032 -14.712 8.903 1.00 11.30 H new ATOM 0 HD1 TYR A 27 -5.534 -16.070 5.788 1.00 21.11 H new ATOM 0 HD2 TYR A 27 -8.436 -13.404 7.414 1.00 41.42 H new ATOM 0 HE1 TYR A 27 -6.548 -15.819 3.568 1.00 24.35 H new ATOM 0 HE2 TYR A 27 -9.453 -13.159 5.195 1.00 23.03 H new ATOM 0 HH TYR A 27 -9.394 -13.731 3.051 1.00 43.34 H new ATOM 449 N GLU A 28 -3.492 -15.148 9.809 1.00 12.21 N ATOM 450 CA GLU A 28 -2.858 -15.551 11.075 1.00 11.04 C ATOM 451 C GLU A 28 -1.559 -14.772 11.360 1.00 23.04 C ATOM 452 O GLU A 28 -0.897 -15.018 12.366 1.00 45.54 O ATOM 453 CB GLU A 28 -2.569 -17.062 11.062 1.00 74.43 C ATOM 454 CG GLU A 28 -3.810 -17.921 10.837 1.00 35.21 C ATOM 455 CD GLU A 28 -3.539 -19.408 11.018 1.00 2.22 C ATOM 456 OE1 GLU A 28 -2.933 -20.023 10.117 1.00 1.51 O ATOM 457 OE2 GLU A 28 -3.935 -19.965 12.064 1.00 4.13 O ATOM 0 H GLU A 28 -3.117 -15.619 8.986 1.00 12.21 H new ATOM 0 HA GLU A 28 -3.560 -15.314 11.875 1.00 11.04 H new ATOM 0 HB2 GLU A 28 -1.842 -17.277 10.279 1.00 74.43 H new ATOM 0 HB3 GLU A 28 -2.110 -17.343 12.010 1.00 74.43 H new ATOM 0 HG2 GLU A 28 -4.591 -17.612 11.531 1.00 35.21 H new ATOM 0 HG3 GLU A 28 -4.190 -17.745 9.831 1.00 35.21 H new ATOM 464 N LEU A 29 -1.207 -13.832 10.476 1.00 65.13 N ATOM 465 CA LEU A 29 -0.002 -12.995 10.655 1.00 52.24 C ATOM 466 C LEU A 29 0.057 -12.338 12.047 1.00 22.02 C ATOM 467 O LEU A 29 1.088 -12.371 12.723 1.00 31.32 O ATOM 468 CB LEU A 29 0.046 -11.891 9.583 1.00 74.03 C ATOM 469 CG LEU A 29 0.378 -12.350 8.155 1.00 61.32 C ATOM 470 CD1 LEU A 29 0.230 -11.191 7.171 1.00 32.34 C ATOM 471 CD2 LEU A 29 1.788 -12.933 8.089 1.00 73.44 C ATOM 0 H LEU A 29 -1.735 -13.627 9.628 1.00 65.13 H new ATOM 0 HA LEU A 29 0.856 -13.659 10.556 1.00 52.24 H new ATOM 0 HB2 LEU A 29 -0.921 -11.387 9.566 1.00 74.03 H new ATOM 0 HB3 LEU A 29 0.786 -11.150 9.886 1.00 74.03 H new ATOM 0 HG LEU A 29 -0.328 -13.132 7.875 1.00 61.32 H new ATOM 0 HD11 LEU A 29 0.469 -11.535 6.165 1.00 32.34 H new ATOM 0 HD12 LEU A 29 -0.796 -10.823 7.194 1.00 32.34 H new ATOM 0 HD13 LEU A 29 0.911 -10.387 7.451 1.00 32.34 H new ATOM 0 HD21 LEU A 29 2.003 -13.252 7.069 1.00 73.44 H new ATOM 0 HD22 LEU A 29 2.510 -12.174 8.392 1.00 73.44 H new ATOM 0 HD23 LEU A 29 1.859 -13.790 8.759 1.00 73.44 H new ATOM 483 N ASP A 30 -1.051 -11.732 12.464 1.00 34.12 N ATOM 484 CA ASP A 30 -1.098 -10.972 13.719 1.00 23.03 C ATOM 485 C ASP A 30 -1.808 -11.746 14.844 1.00 52.51 C ATOM 486 O ASP A 30 -1.397 -11.693 16.002 1.00 45.23 O ATOM 487 CB ASP A 30 -1.800 -9.639 13.465 1.00 71.41 C ATOM 488 CG ASP A 30 -1.828 -8.733 14.678 1.00 73.41 C ATOM 489 OD1 ASP A 30 -0.797 -8.092 14.976 1.00 32.43 O ATOM 490 OD2 ASP A 30 -2.880 -8.645 15.328 1.00 63.13 O ATOM 0 H ASP A 30 -1.933 -11.750 11.953 1.00 34.12 H new ATOM 0 HA ASP A 30 -0.075 -10.801 14.053 1.00 23.03 H new ATOM 0 HB2 ASP A 30 -1.298 -9.123 12.647 1.00 71.41 H new ATOM 0 HB3 ASP A 30 -2.823 -9.831 13.141 1.00 71.41 H new ATOM 495 N GLY A 31 -2.875 -12.461 14.499 1.00 65.14 N ATOM 496 CA GLY A 31 -3.623 -13.219 15.500 1.00 2.34 C ATOM 497 C GLY A 31 -4.896 -12.512 15.966 1.00 11.32 C ATOM 498 O GLY A 31 -5.841 -13.163 16.417 1.00 22.54 O ATOM 0 H GLY A 31 -3.238 -12.532 13.548 1.00 65.14 H new ATOM 0 HA2 GLY A 31 -3.887 -14.192 15.086 1.00 2.34 H new ATOM 0 HA3 GLY A 31 -2.981 -13.402 16.362 1.00 2.34 H new ATOM 502 N ASP A 32 -4.932 -11.183 15.855 1.00 75.02 N ATOM 503 CA ASP A 32 -6.105 -10.408 16.272 1.00 42.21 C ATOM 504 C ASP A 32 -7.165 -10.372 15.162 1.00 54.14 C ATOM 505 O ASP A 32 -6.834 -10.428 13.973 1.00 64.21 O ATOM 506 CB ASP A 32 -5.697 -8.977 16.653 1.00 14.23 C ATOM 507 CG ASP A 32 -4.921 -8.910 17.960 1.00 65.34 C ATOM 508 OD1 ASP A 32 -4.009 -9.734 18.171 1.00 72.14 O ATOM 509 OD2 ASP A 32 -5.232 -8.034 18.797 1.00 12.21 O ATOM 0 H ASP A 32 -4.167 -10.622 15.482 1.00 75.02 H new ATOM 0 HA ASP A 32 -6.536 -10.898 17.145 1.00 42.21 H new ATOM 0 HB2 ASP A 32 -5.089 -8.553 15.854 1.00 14.23 H new ATOM 0 HB3 ASP A 32 -6.591 -8.359 16.735 1.00 14.23 H new ATOM 514 N PRO A 33 -8.459 -10.266 15.533 1.00 13.22 N ATOM 515 CA PRO A 33 -9.556 -10.179 14.557 1.00 23.15 C ATOM 516 C PRO A 33 -9.324 -9.063 13.526 1.00 72.23 C ATOM 517 O PRO A 33 -9.645 -9.213 12.346 1.00 61.53 O ATOM 518 CB PRO A 33 -10.800 -9.886 15.421 1.00 14.21 C ATOM 519 CG PRO A 33 -10.271 -9.506 16.768 1.00 74.13 C ATOM 520 CD PRO A 33 -8.962 -10.228 16.916 1.00 50.00 C ATOM 0 HA PRO A 33 -9.652 -11.091 13.968 1.00 23.15 H new ATOM 0 HB2 PRO A 33 -11.395 -9.080 14.991 1.00 14.21 H new ATOM 0 HB3 PRO A 33 -11.447 -10.760 15.486 1.00 14.21 H new ATOM 0 HG2 PRO A 33 -10.133 -8.427 16.843 1.00 74.13 H new ATOM 0 HG3 PRO A 33 -10.967 -9.794 17.556 1.00 74.13 H new ATOM 0 HD2 PRO A 33 -8.280 -9.699 17.581 1.00 50.00 H new ATOM 0 HD3 PRO A 33 -9.095 -11.229 17.327 1.00 50.00 H new ATOM 528 N LYS A 34 -8.714 -7.970 13.985 1.00 54.11 N ATOM 529 CA LYS A 34 -8.425 -6.805 13.140 1.00 40.22 C ATOM 530 C LYS A 34 -7.677 -7.189 11.851 1.00 54.35 C ATOM 531 O LYS A 34 -7.906 -6.598 10.795 1.00 71.24 O ATOM 532 CB LYS A 34 -7.590 -5.788 13.932 1.00 42.03 C ATOM 533 CG LYS A 34 -8.252 -5.302 15.221 1.00 14.21 C ATOM 534 CD LYS A 34 -9.513 -4.482 14.953 1.00 63.51 C ATOM 535 CE LYS A 34 -9.215 -3.222 14.145 1.00 53.15 C ATOM 536 NZ LYS A 34 -8.231 -2.337 14.826 1.00 50.43 N ATOM 0 H LYS A 34 -8.406 -7.865 14.952 1.00 54.11 H new ATOM 0 HA LYS A 34 -9.380 -6.368 12.849 1.00 40.22 H new ATOM 0 HB2 LYS A 34 -6.628 -6.238 14.178 1.00 42.03 H new ATOM 0 HB3 LYS A 34 -7.386 -4.928 13.295 1.00 42.03 H new ATOM 0 HG2 LYS A 34 -8.505 -6.161 15.843 1.00 14.21 H new ATOM 0 HG3 LYS A 34 -7.542 -4.698 15.786 1.00 14.21 H new ATOM 0 HD2 LYS A 34 -10.236 -5.095 14.415 1.00 63.51 H new ATOM 0 HD3 LYS A 34 -9.973 -4.204 15.901 1.00 63.51 H new ATOM 0 HE2 LYS A 34 -8.830 -3.504 13.165 1.00 53.15 H new ATOM 0 HE3 LYS A 34 -10.141 -2.672 13.978 1.00 53.15 H new ATOM 0 HZ1 LYS A 34 -8.198 -1.417 14.342 1.00 50.43 H new ATOM 0 HZ2 LYS A 34 -8.517 -2.197 15.816 1.00 50.43 H new ATOM 0 HZ3 LYS A 34 -7.289 -2.778 14.797 1.00 50.43 H new ATOM 550 N ARG A 35 -6.791 -8.186 11.940 1.00 44.54 N ATOM 551 CA ARG A 35 -6.000 -8.613 10.780 1.00 42.34 C ATOM 552 C ARG A 35 -6.899 -9.110 9.632 1.00 50.44 C ATOM 553 O ARG A 35 -6.834 -8.604 8.510 1.00 22.25 O ATOM 554 CB ARG A 35 -4.992 -9.710 11.176 1.00 5.42 C ATOM 555 CG ARG A 35 -4.198 -10.281 9.993 1.00 34.10 C ATOM 556 CD ARG A 35 -3.394 -9.208 9.244 1.00 21.31 C ATOM 557 NE ARG A 35 -2.078 -8.946 9.840 1.00 34.11 N ATOM 558 CZ ARG A 35 -1.820 -7.978 10.683 1.00 53.24 C ATOM 559 NH1 ARG A 35 -2.769 -7.242 11.166 1.00 51.54 N ATOM 560 NH2 ARG A 35 -0.605 -7.765 11.071 1.00 54.50 N ATOM 0 H ARG A 35 -6.604 -8.709 12.795 1.00 44.54 H new ATOM 0 HA ARG A 35 -5.450 -7.741 10.426 1.00 42.34 H new ATOM 0 HB2 ARG A 35 -4.294 -9.301 11.906 1.00 5.42 H new ATOM 0 HB3 ARG A 35 -5.528 -10.522 11.667 1.00 5.42 H new ATOM 0 HG2 ARG A 35 -3.518 -11.051 10.356 1.00 34.10 H new ATOM 0 HG3 ARG A 35 -4.886 -10.764 9.299 1.00 34.10 H new ATOM 0 HD2 ARG A 35 -3.260 -9.521 8.209 1.00 21.31 H new ATOM 0 HD3 ARG A 35 -3.968 -8.281 9.225 1.00 21.31 H new ATOM 0 HE ARG A 35 -1.309 -9.563 9.578 1.00 34.11 H new ATOM 0 HH11 ARG A 35 -3.736 -7.412 10.891 1.00 51.54 H new ATOM 0 HH12 ARG A 35 -2.549 -6.492 11.822 1.00 51.54 H new ATOM 0 HH21 ARG A 35 0.153 -8.351 10.720 1.00 54.50 H new ATOM 0 HH22 ARG A 35 -0.404 -7.011 11.728 1.00 54.50 H new ATOM 574 N LYS A 36 -7.741 -10.098 9.925 1.00 4.44 N ATOM 575 CA LYS A 36 -8.600 -10.703 8.903 1.00 21.14 C ATOM 576 C LYS A 36 -9.801 -9.810 8.554 1.00 33.21 C ATOM 577 O LYS A 36 -10.261 -9.809 7.414 1.00 70.20 O ATOM 578 CB LYS A 36 -9.084 -12.104 9.327 1.00 52.31 C ATOM 579 CG LYS A 36 -9.914 -12.155 10.611 1.00 2.11 C ATOM 580 CD LYS A 36 -9.057 -12.361 11.863 1.00 24.52 C ATOM 581 CE LYS A 36 -8.278 -13.670 11.823 1.00 20.13 C ATOM 582 NZ LYS A 36 -9.180 -14.856 11.807 1.00 54.14 N ATOM 0 H LYS A 36 -7.849 -10.497 10.857 1.00 4.44 H new ATOM 0 HA LYS A 36 -7.988 -10.805 8.007 1.00 21.14 H new ATOM 0 HB2 LYS A 36 -9.677 -12.525 8.515 1.00 52.31 H new ATOM 0 HB3 LYS A 36 -8.213 -12.747 9.453 1.00 52.31 H new ATOM 0 HG2 LYS A 36 -10.478 -11.228 10.711 1.00 2.11 H new ATOM 0 HG3 LYS A 36 -10.641 -12.964 10.537 1.00 2.11 H new ATOM 0 HD2 LYS A 36 -8.360 -11.529 11.964 1.00 24.52 H new ATOM 0 HD3 LYS A 36 -9.698 -12.349 12.745 1.00 24.52 H new ATOM 0 HE2 LYS A 36 -7.642 -13.686 10.938 1.00 20.13 H new ATOM 0 HE3 LYS A 36 -7.620 -13.727 12.690 1.00 20.13 H new ATOM 0 HZ1 LYS A 36 -8.614 -15.724 11.899 1.00 54.14 H new ATOM 0 HZ2 LYS A 36 -9.850 -14.793 12.600 1.00 54.14 H new ATOM 0 HZ3 LYS A 36 -9.706 -14.880 10.910 1.00 54.14 H new ATOM 596 N GLU A 37 -10.308 -9.053 9.531 1.00 5.11 N ATOM 597 CA GLU A 37 -11.418 -8.120 9.282 1.00 13.41 C ATOM 598 C GLU A 37 -11.030 -7.071 8.230 1.00 73.44 C ATOM 599 O GLU A 37 -11.787 -6.807 7.289 1.00 1.41 O ATOM 600 CB GLU A 37 -11.847 -7.422 10.579 1.00 44.13 C ATOM 601 CG GLU A 37 -12.467 -8.358 11.610 1.00 21.42 C ATOM 602 CD GLU A 37 -12.894 -7.627 12.875 1.00 43.33 C ATOM 603 OE1 GLU A 37 -12.012 -7.178 13.635 1.00 21.11 O ATOM 604 OE2 GLU A 37 -14.112 -7.482 13.107 1.00 12.12 O ATOM 0 H GLU A 37 -9.973 -9.065 10.494 1.00 5.11 H new ATOM 0 HA GLU A 37 -12.258 -8.702 8.902 1.00 13.41 H new ATOM 0 HB2 GLU A 37 -10.978 -6.934 11.022 1.00 44.13 H new ATOM 0 HB3 GLU A 37 -12.564 -6.638 10.337 1.00 44.13 H new ATOM 0 HG2 GLU A 37 -13.332 -8.855 11.171 1.00 21.42 H new ATOM 0 HG3 GLU A 37 -11.749 -9.136 11.868 1.00 21.42 H new ATOM 611 N PHE A 38 -9.843 -6.483 8.399 1.00 43.34 N ATOM 612 CA PHE A 38 -9.291 -5.542 7.418 1.00 10.21 C ATOM 613 C PHE A 38 -9.175 -6.198 6.034 1.00 32.31 C ATOM 614 O PHE A 38 -9.596 -5.626 5.028 1.00 62.30 O ATOM 615 CB PHE A 38 -7.913 -5.039 7.878 1.00 45.03 C ATOM 616 CG PHE A 38 -7.224 -4.125 6.886 1.00 63.31 C ATOM 617 CD1 PHE A 38 -7.523 -2.770 6.844 1.00 2.34 C ATOM 618 CD2 PHE A 38 -6.278 -4.624 5.998 1.00 23.03 C ATOM 619 CE1 PHE A 38 -6.893 -1.934 5.942 1.00 30.43 C ATOM 620 CE2 PHE A 38 -5.647 -3.791 5.094 1.00 54.43 C ATOM 621 CZ PHE A 38 -5.956 -2.445 5.065 1.00 41.23 C ATOM 0 H PHE A 38 -9.243 -6.642 9.208 1.00 43.34 H new ATOM 0 HA PHE A 38 -9.972 -4.694 7.342 1.00 10.21 H new ATOM 0 HB2 PHE A 38 -8.029 -4.509 8.824 1.00 45.03 H new ATOM 0 HB3 PHE A 38 -7.271 -5.898 8.071 1.00 45.03 H new ATOM 0 HD1 PHE A 38 -8.257 -2.364 7.525 1.00 2.34 H new ATOM 0 HD2 PHE A 38 -6.033 -5.676 6.015 1.00 23.03 H new ATOM 0 HE1 PHE A 38 -7.133 -0.881 5.923 1.00 30.43 H new ATOM 0 HE2 PHE A 38 -4.913 -4.192 4.411 1.00 54.43 H new ATOM 0 HZ PHE A 38 -5.466 -1.793 4.357 1.00 41.23 H new ATOM 631 N LEU A 39 -8.603 -7.403 5.995 1.00 52.24 N ATOM 632 CA LEU A 39 -8.457 -8.153 4.741 1.00 44.11 C ATOM 633 C LEU A 39 -9.817 -8.403 4.065 1.00 71.23 C ATOM 634 O LEU A 39 -9.955 -8.236 2.858 1.00 21.33 O ATOM 635 CB LEU A 39 -7.744 -9.489 4.996 1.00 21.15 C ATOM 636 CG LEU A 39 -6.298 -9.378 5.516 1.00 63.23 C ATOM 637 CD1 LEU A 39 -5.704 -10.763 5.758 1.00 70.40 C ATOM 638 CD2 LEU A 39 -5.430 -8.582 4.541 1.00 31.51 C ATOM 0 H LEU A 39 -8.233 -7.882 6.816 1.00 52.24 H new ATOM 0 HA LEU A 39 -7.854 -7.546 4.066 1.00 44.11 H new ATOM 0 HB2 LEU A 39 -8.328 -10.061 5.717 1.00 21.15 H new ATOM 0 HB3 LEU A 39 -7.735 -10.060 4.067 1.00 21.15 H new ATOM 0 HG LEU A 39 -6.319 -8.844 6.466 1.00 63.23 H new ATOM 0 HD11 LEU A 39 -4.683 -10.662 6.125 1.00 70.40 H new ATOM 0 HD12 LEU A 39 -6.305 -11.292 6.498 1.00 70.40 H new ATOM 0 HD13 LEU A 39 -5.700 -11.325 4.824 1.00 70.40 H new ATOM 0 HD21 LEU A 39 -4.413 -8.517 4.929 1.00 31.51 H new ATOM 0 HD22 LEU A 39 -5.417 -9.083 3.573 1.00 31.51 H new ATOM 0 HD23 LEU A 39 -5.839 -7.578 4.425 1.00 31.51 H new ATOM 650 N ASP A 40 -10.818 -8.790 4.851 1.00 14.31 N ATOM 651 CA ASP A 40 -12.168 -9.032 4.326 1.00 3.20 C ATOM 652 C ASP A 40 -12.763 -7.760 3.690 1.00 13.54 C ATOM 653 O ASP A 40 -13.230 -7.786 2.545 1.00 52.24 O ATOM 654 CB ASP A 40 -13.082 -9.543 5.447 1.00 1.04 C ATOM 655 CG ASP A 40 -14.534 -9.649 5.011 1.00 15.53 C ATOM 656 OD1 ASP A 40 -14.879 -10.616 4.297 1.00 33.35 O ATOM 657 OD2 ASP A 40 -15.334 -8.758 5.372 1.00 52.13 O ATOM 0 H ASP A 40 -10.724 -8.944 5.855 1.00 14.31 H new ATOM 0 HA ASP A 40 -12.096 -9.790 3.546 1.00 3.20 H new ATOM 0 HB2 ASP A 40 -12.733 -10.521 5.778 1.00 1.04 H new ATOM 0 HB3 ASP A 40 -13.011 -8.872 6.303 1.00 1.04 H new ATOM 662 N ASP A 41 -12.734 -6.652 4.434 1.00 33.21 N ATOM 663 CA ASP A 41 -13.267 -5.377 3.946 1.00 2.21 C ATOM 664 C ASP A 41 -12.491 -4.901 2.706 1.00 25.30 C ATOM 665 O ASP A 41 -13.077 -4.398 1.743 1.00 33.12 O ATOM 666 CB ASP A 41 -13.198 -4.321 5.058 1.00 54.50 C ATOM 667 CG ASP A 41 -14.010 -3.080 4.732 1.00 42.45 C ATOM 668 OD1 ASP A 41 -15.232 -3.087 4.985 1.00 2.45 O ATOM 669 OD2 ASP A 41 -13.440 -2.096 4.221 1.00 54.12 O ATOM 0 H ASP A 41 -12.347 -6.611 5.377 1.00 33.21 H new ATOM 0 HA ASP A 41 -14.309 -5.522 3.659 1.00 2.21 H new ATOM 0 HB2 ASP A 41 -13.561 -4.755 5.990 1.00 54.50 H new ATOM 0 HB3 ASP A 41 -12.158 -4.038 5.222 1.00 54.50 H new ATOM 674 N LEU A 42 -11.171 -5.085 2.742 1.00 71.42 N ATOM 675 CA LEU A 42 -10.291 -4.716 1.630 1.00 53.40 C ATOM 676 C LEU A 42 -10.590 -5.543 0.370 1.00 13.35 C ATOM 677 O LEU A 42 -10.922 -4.990 -0.679 1.00 54.42 O ATOM 678 CB LEU A 42 -8.826 -4.919 2.044 1.00 4.32 C ATOM 679 CG LEU A 42 -7.781 -4.587 0.965 1.00 63.30 C ATOM 680 CD1 LEU A 42 -7.788 -3.095 0.634 1.00 45.14 C ATOM 681 CD2 LEU A 42 -6.392 -5.044 1.405 1.00 52.25 C ATOM 0 H LEU A 42 -10.682 -5.492 3.539 1.00 71.42 H new ATOM 0 HA LEU A 42 -10.471 -3.667 1.393 1.00 53.40 H new ATOM 0 HB2 LEU A 42 -8.626 -4.303 2.921 1.00 4.32 H new ATOM 0 HB3 LEU A 42 -8.693 -5.958 2.347 1.00 4.32 H new ATOM 0 HG LEU A 42 -8.046 -5.129 0.057 1.00 63.30 H new ATOM 0 HD11 LEU A 42 -7.040 -2.889 -0.131 1.00 45.14 H new ATOM 0 HD12 LEU A 42 -8.773 -2.809 0.265 1.00 45.14 H new ATOM 0 HD13 LEU A 42 -7.556 -2.522 1.532 1.00 45.14 H new ATOM 0 HD21 LEU A 42 -5.666 -4.801 0.629 1.00 52.25 H new ATOM 0 HD22 LEU A 42 -6.118 -4.537 2.330 1.00 52.25 H new ATOM 0 HD23 LEU A 42 -6.399 -6.121 1.570 1.00 52.25 H new ATOM 693 N PHE A 43 -10.483 -6.869 0.486 1.00 33.13 N ATOM 694 CA PHE A 43 -10.699 -7.777 -0.649 1.00 3.33 C ATOM 695 C PHE A 43 -12.073 -7.556 -1.298 1.00 2.12 C ATOM 696 O PHE A 43 -12.206 -7.609 -2.521 1.00 0.03 O ATOM 697 CB PHE A 43 -10.558 -9.244 -0.208 1.00 71.32 C ATOM 698 CG PHE A 43 -9.190 -9.614 0.324 1.00 64.14 C ATOM 699 CD1 PHE A 43 -8.092 -8.782 0.133 1.00 52.53 C ATOM 700 CD2 PHE A 43 -9.006 -10.803 1.014 1.00 2.32 C ATOM 701 CE1 PHE A 43 -6.847 -9.130 0.622 1.00 75.42 C ATOM 702 CE2 PHE A 43 -7.763 -11.154 1.505 1.00 53.40 C ATOM 703 CZ PHE A 43 -6.683 -10.316 1.309 1.00 34.44 C ATOM 0 H PHE A 43 -10.247 -7.342 1.358 1.00 33.13 H new ATOM 0 HA PHE A 43 -9.933 -7.553 -1.392 1.00 3.33 H new ATOM 0 HB2 PHE A 43 -11.301 -9.451 0.562 1.00 71.32 H new ATOM 0 HB3 PHE A 43 -10.790 -9.888 -1.056 1.00 71.32 H new ATOM 0 HD1 PHE A 43 -8.214 -7.853 -0.404 1.00 52.53 H new ATOM 0 HD2 PHE A 43 -9.846 -11.464 1.170 1.00 2.32 H new ATOM 0 HE1 PHE A 43 -6.003 -8.474 0.467 1.00 75.42 H new ATOM 0 HE2 PHE A 43 -7.636 -12.083 2.041 1.00 53.40 H new ATOM 0 HZ PHE A 43 -5.711 -10.588 1.693 1.00 34.44 H new ATOM 713 N SER A 44 -13.092 -7.321 -0.475 1.00 43.12 N ATOM 714 CA SER A 44 -14.441 -7.016 -0.977 1.00 41.30 C ATOM 715 C SER A 44 -14.451 -5.687 -1.748 1.00 1.42 C ATOM 716 O SER A 44 -14.956 -5.608 -2.867 1.00 10.23 O ATOM 717 CB SER A 44 -15.450 -6.955 0.181 1.00 3.02 C ATOM 718 OG SER A 44 -15.508 -8.189 0.886 1.00 54.43 O ATOM 0 H SER A 44 -13.016 -7.335 0.542 1.00 43.12 H new ATOM 0 HA SER A 44 -14.732 -7.816 -1.657 1.00 41.30 H new ATOM 0 HB2 SER A 44 -15.171 -6.155 0.867 1.00 3.02 H new ATOM 0 HB3 SER A 44 -16.438 -6.710 -0.208 1.00 3.02 H new ATOM 0 HG SER A 44 -14.769 -8.234 1.529 1.00 54.43 H new ATOM 724 N PHE A 45 -13.863 -4.653 -1.150 1.00 51.11 N ATOM 725 CA PHE A 45 -13.826 -3.317 -1.758 1.00 71.52 C ATOM 726 C PHE A 45 -13.053 -3.309 -3.092 1.00 22.31 C ATOM 727 O PHE A 45 -13.588 -2.912 -4.131 1.00 73.01 O ATOM 728 CB PHE A 45 -13.196 -2.314 -0.776 1.00 31.33 C ATOM 729 CG PHE A 45 -13.091 -0.911 -1.321 1.00 22.32 C ATOM 730 CD1 PHE A 45 -14.219 -0.112 -1.444 1.00 43.31 C ATOM 731 CD2 PHE A 45 -11.863 -0.390 -1.707 1.00 42.31 C ATOM 732 CE1 PHE A 45 -14.124 1.173 -1.941 1.00 11.11 C ATOM 733 CE2 PHE A 45 -11.765 0.893 -2.202 1.00 31.11 C ATOM 734 CZ PHE A 45 -12.895 1.675 -2.321 1.00 11.43 C ATOM 0 H PHE A 45 -13.403 -4.711 -0.242 1.00 51.11 H new ATOM 0 HA PHE A 45 -14.853 -3.024 -1.975 1.00 71.52 H new ATOM 0 HB2 PHE A 45 -13.788 -2.295 0.139 1.00 31.33 H new ATOM 0 HB3 PHE A 45 -12.200 -2.663 -0.504 1.00 31.33 H new ATOM 0 HD1 PHE A 45 -15.182 -0.500 -1.148 1.00 43.31 H new ATOM 0 HD2 PHE A 45 -10.974 -0.997 -1.618 1.00 42.31 H new ATOM 0 HE1 PHE A 45 -15.010 1.784 -2.032 1.00 11.11 H new ATOM 0 HE2 PHE A 45 -10.803 1.286 -2.497 1.00 31.11 H new ATOM 0 HZ PHE A 45 -12.819 2.679 -2.711 1.00 11.43 H new ATOM 744 N MET A 46 -11.795 -3.752 -3.057 1.00 21.22 N ATOM 745 CA MET A 46 -10.940 -3.757 -4.250 1.00 30.41 C ATOM 746 C MET A 46 -11.549 -4.607 -5.384 1.00 73.22 C ATOM 747 O MET A 46 -11.559 -4.194 -6.546 1.00 53.13 O ATOM 748 CB MET A 46 -9.522 -4.249 -3.900 1.00 51.22 C ATOM 749 CG MET A 46 -9.470 -5.665 -3.334 1.00 52.40 C ATOM 750 SD MET A 46 -7.811 -6.161 -2.823 1.00 64.24 S ATOM 751 CE MET A 46 -6.929 -6.100 -4.383 1.00 3.53 C ATOM 0 H MET A 46 -11.344 -4.112 -2.216 1.00 21.22 H new ATOM 0 HA MET A 46 -10.872 -2.731 -4.611 1.00 30.41 H new ATOM 0 HB2 MET A 46 -8.904 -4.206 -4.797 1.00 51.22 H new ATOM 0 HB3 MET A 46 -9.081 -3.564 -3.175 1.00 51.22 H new ATOM 0 HG2 MET A 46 -10.143 -5.733 -2.479 1.00 52.40 H new ATOM 0 HG3 MET A 46 -9.837 -6.364 -4.085 1.00 52.40 H new ATOM 0 HE1 MET A 46 -5.874 -6.313 -4.213 1.00 3.53 H new ATOM 0 HE2 MET A 46 -7.344 -6.842 -5.065 1.00 3.53 H new ATOM 0 HE3 MET A 46 -7.033 -5.107 -4.821 1.00 3.53 H new ATOM 761 N GLN A 47 -12.081 -5.782 -5.043 1.00 65.20 N ATOM 762 CA GLN A 47 -12.679 -6.679 -6.039 1.00 23.53 C ATOM 763 C GLN A 47 -13.880 -6.032 -6.743 1.00 52.32 C ATOM 764 O GLN A 47 -13.955 -6.012 -7.973 1.00 63.53 O ATOM 765 CB GLN A 47 -13.099 -7.998 -5.371 1.00 1.13 C ATOM 766 CG GLN A 47 -13.810 -8.974 -6.303 1.00 31.14 C ATOM 767 CD GLN A 47 -13.944 -10.362 -5.703 1.00 44.11 C ATOM 768 OE1 GLN A 47 -13.102 -10.803 -4.923 1.00 0.43 O ATOM 769 NE2 GLN A 47 -15.004 -11.059 -6.051 1.00 33.13 N ATOM 0 H GLN A 47 -12.111 -6.136 -4.087 1.00 65.20 H new ATOM 0 HA GLN A 47 -11.925 -6.882 -6.800 1.00 23.53 H new ATOM 0 HB2 GLN A 47 -12.213 -8.484 -4.963 1.00 1.13 H new ATOM 0 HB3 GLN A 47 -13.755 -7.773 -4.530 1.00 1.13 H new ATOM 0 HG2 GLN A 47 -14.801 -8.588 -6.540 1.00 31.14 H new ATOM 0 HG3 GLN A 47 -13.260 -9.040 -7.242 1.00 31.14 H new ATOM 0 HE21 GLN A 47 -15.684 -10.664 -6.701 1.00 33.13 H new ATOM 0 HE22 GLN A 47 -15.146 -11.995 -5.671 1.00 33.13 H new ATOM 778 N LYS A 48 -14.806 -5.482 -5.961 1.00 63.22 N ATOM 779 CA LYS A 48 -16.021 -4.866 -6.511 1.00 50.12 C ATOM 780 C LYS A 48 -15.712 -3.675 -7.436 1.00 24.23 C ATOM 781 O LYS A 48 -16.501 -3.358 -8.330 1.00 12.12 O ATOM 782 CB LYS A 48 -16.948 -4.416 -5.377 1.00 2.25 C ATOM 783 CG LYS A 48 -17.498 -5.571 -4.545 1.00 30.10 C ATOM 784 CD LYS A 48 -18.393 -5.079 -3.411 1.00 0.24 C ATOM 785 CE LYS A 48 -18.914 -6.232 -2.565 1.00 2.35 C ATOM 786 NZ LYS A 48 -19.728 -7.186 -3.365 1.00 73.32 N ATOM 0 H LYS A 48 -14.742 -5.448 -4.944 1.00 63.22 H new ATOM 0 HA LYS A 48 -16.517 -5.627 -7.114 1.00 50.12 H new ATOM 0 HB2 LYS A 48 -16.404 -3.734 -4.723 1.00 2.25 H new ATOM 0 HB3 LYS A 48 -17.781 -3.855 -5.800 1.00 2.25 H new ATOM 0 HG2 LYS A 48 -18.064 -6.245 -5.188 1.00 30.10 H new ATOM 0 HG3 LYS A 48 -16.670 -6.147 -4.131 1.00 30.10 H new ATOM 0 HD2 LYS A 48 -17.834 -4.388 -2.780 1.00 0.24 H new ATOM 0 HD3 LYS A 48 -19.234 -4.523 -3.826 1.00 0.24 H new ATOM 0 HE2 LYS A 48 -18.073 -6.761 -2.115 1.00 2.35 H new ATOM 0 HE3 LYS A 48 -19.517 -5.838 -1.747 1.00 2.35 H new ATOM 0 HZ1 LYS A 48 -20.228 -7.836 -2.726 1.00 73.32 H new ATOM 0 HZ2 LYS A 48 -20.421 -6.659 -3.934 1.00 73.32 H new ATOM 0 HZ3 LYS A 48 -19.105 -7.731 -3.995 1.00 73.32 H new ATOM 800 N ARG A 49 -14.572 -3.010 -7.230 1.00 51.10 N ATOM 801 CA ARG A 49 -14.196 -1.867 -8.080 1.00 44.21 C ATOM 802 C ARG A 49 -13.356 -2.303 -9.299 1.00 11.12 C ATOM 803 O ARG A 49 -12.894 -1.462 -10.071 1.00 61.44 O ATOM 804 CB ARG A 49 -13.439 -0.793 -7.280 1.00 63.22 C ATOM 805 CG ARG A 49 -12.024 -1.190 -6.865 1.00 50.40 C ATOM 806 CD ARG A 49 -11.156 0.035 -6.588 1.00 2.54 C ATOM 807 NE ARG A 49 -11.079 0.914 -7.757 1.00 33.12 N ATOM 808 CZ ARG A 49 -10.062 1.678 -8.055 1.00 62.43 C ATOM 809 NH1 ARG A 49 -9.003 1.707 -7.310 1.00 22.01 N ATOM 810 NH2 ARG A 49 -10.111 2.410 -9.116 1.00 40.52 N ATOM 0 H ARG A 49 -13.900 -3.235 -6.496 1.00 51.10 H new ATOM 0 HA ARG A 49 -15.128 -1.437 -8.447 1.00 44.21 H new ATOM 0 HB2 ARG A 49 -13.387 0.117 -7.878 1.00 63.22 H new ATOM 0 HB3 ARG A 49 -14.013 -0.554 -6.385 1.00 63.22 H new ATOM 0 HG2 ARG A 49 -12.068 -1.815 -5.973 1.00 50.40 H new ATOM 0 HG3 ARG A 49 -11.568 -1.790 -7.653 1.00 50.40 H new ATOM 0 HD2 ARG A 49 -11.565 0.588 -5.742 1.00 2.54 H new ATOM 0 HD3 ARG A 49 -10.153 -0.285 -6.305 1.00 2.54 H new ATOM 0 HE ARG A 49 -11.881 0.931 -8.387 1.00 33.12 H new ATOM 0 HH11 ARG A 49 -8.952 1.126 -6.473 1.00 22.01 H new ATOM 0 HH12 ARG A 49 -8.220 2.311 -7.560 1.00 22.01 H new ATOM 0 HH21 ARG A 49 -10.938 2.389 -9.713 1.00 40.52 H new ATOM 0 HH22 ARG A 49 -9.323 3.010 -9.358 1.00 40.52 H new ATOM 824 N GLY A 50 -13.151 -3.611 -9.463 1.00 14.51 N ATOM 825 CA GLY A 50 -12.468 -4.121 -10.656 1.00 24.33 C ATOM 826 C GLY A 50 -11.008 -4.527 -10.435 1.00 71.22 C ATOM 827 O GLY A 50 -10.239 -4.614 -11.394 1.00 61.40 O ATOM 0 H GLY A 50 -13.442 -4.327 -8.798 1.00 14.51 H new ATOM 0 HA2 GLY A 50 -13.018 -4.984 -11.031 1.00 24.33 H new ATOM 0 HA3 GLY A 50 -12.505 -3.357 -11.433 1.00 24.33 H new ATOM 831 N THR A 51 -10.616 -4.779 -9.187 1.00 20.31 N ATOM 832 CA THR A 51 -9.248 -5.246 -8.882 1.00 73.41 C ATOM 833 C THR A 51 -9.228 -6.230 -7.697 1.00 5.23 C ATOM 834 O THR A 51 -9.023 -5.838 -6.550 1.00 73.33 O ATOM 835 CB THR A 51 -8.272 -4.064 -8.603 1.00 32.22 C ATOM 836 OG1 THR A 51 -7.008 -4.551 -8.111 1.00 31.15 O ATOM 837 CG2 THR A 51 -8.860 -3.062 -7.611 1.00 65.44 C ATOM 0 H THR A 51 -11.216 -4.671 -8.369 1.00 20.31 H new ATOM 0 HA THR A 51 -8.904 -5.770 -9.774 1.00 73.41 H new ATOM 0 HB THR A 51 -8.115 -3.549 -9.551 1.00 32.22 H new ATOM 0 HG1 THR A 51 -6.680 -3.955 -7.405 1.00 31.15 H new ATOM 0 HG21 THR A 51 -8.148 -2.254 -7.444 1.00 65.44 H new ATOM 0 HG22 THR A 51 -9.786 -2.652 -8.014 1.00 65.44 H new ATOM 0 HG23 THR A 51 -9.067 -3.564 -6.666 1.00 65.44 H new ATOM 845 N PRO A 52 -9.470 -7.529 -7.959 1.00 61.35 N ATOM 846 CA PRO A 52 -9.489 -8.564 -6.915 1.00 2.00 C ATOM 847 C PRO A 52 -8.095 -9.132 -6.589 1.00 3.31 C ATOM 848 O PRO A 52 -7.075 -8.647 -7.089 1.00 61.33 O ATOM 849 CB PRO A 52 -10.370 -9.639 -7.551 1.00 64.54 C ATOM 850 CG PRO A 52 -10.059 -9.553 -9.008 1.00 21.42 C ATOM 851 CD PRO A 52 -9.757 -8.096 -9.293 1.00 3.30 C ATOM 0 HA PRO A 52 -9.846 -8.179 -5.960 1.00 2.00 H new ATOM 0 HB2 PRO A 52 -10.142 -10.628 -7.153 1.00 64.54 H new ATOM 0 HB3 PRO A 52 -11.427 -9.454 -7.358 1.00 64.54 H new ATOM 0 HG2 PRO A 52 -9.207 -10.184 -9.262 1.00 21.42 H new ATOM 0 HG3 PRO A 52 -10.901 -9.900 -9.607 1.00 21.42 H new ATOM 0 HD2 PRO A 52 -8.906 -7.988 -9.965 1.00 3.30 H new ATOM 0 HD3 PRO A 52 -10.603 -7.597 -9.766 1.00 3.30 H new ATOM 859 N VAL A 53 -8.057 -10.167 -5.748 1.00 62.13 N ATOM 860 CA VAL A 53 -6.800 -10.832 -5.397 1.00 11.41 C ATOM 861 C VAL A 53 -6.591 -12.104 -6.237 1.00 33.44 C ATOM 862 O VAL A 53 -7.195 -13.147 -5.973 1.00 2.20 O ATOM 863 CB VAL A 53 -6.749 -11.191 -3.889 1.00 11.21 C ATOM 864 CG1 VAL A 53 -5.411 -11.841 -3.524 1.00 14.13 C ATOM 865 CG2 VAL A 53 -7.005 -9.951 -3.033 1.00 52.43 C ATOM 0 H VAL A 53 -8.882 -10.563 -5.297 1.00 62.13 H new ATOM 0 HA VAL A 53 -5.997 -10.128 -5.615 1.00 11.41 H new ATOM 0 HB VAL A 53 -7.538 -11.915 -3.685 1.00 11.21 H new ATOM 0 HG11 VAL A 53 -5.402 -12.083 -2.461 1.00 14.13 H new ATOM 0 HG12 VAL A 53 -5.280 -12.754 -4.105 1.00 14.13 H new ATOM 0 HG13 VAL A 53 -4.598 -11.150 -3.746 1.00 14.13 H new ATOM 0 HG21 VAL A 53 -6.965 -10.223 -1.978 1.00 52.43 H new ATOM 0 HG22 VAL A 53 -6.243 -9.200 -3.243 1.00 52.43 H new ATOM 0 HG23 VAL A 53 -7.989 -9.545 -3.266 1.00 52.43 H new ATOM 875 N ASN A 54 -5.756 -12.001 -7.266 1.00 54.43 N ATOM 876 CA ASN A 54 -5.431 -13.147 -8.127 1.00 23.04 C ATOM 877 C ASN A 54 -4.174 -13.879 -7.628 1.00 70.10 C ATOM 878 O ASN A 54 -4.042 -15.094 -7.778 1.00 64.34 O ATOM 879 CB ASN A 54 -5.226 -12.677 -9.572 1.00 14.35 C ATOM 880 CG ASN A 54 -4.098 -11.667 -9.705 1.00 44.24 C ATOM 881 OD1 ASN A 54 -3.823 -10.895 -8.790 1.00 10.11 O ATOM 882 ND2 ASN A 54 -3.430 -11.672 -10.837 1.00 54.11 N ATOM 0 H ASN A 54 -5.287 -11.134 -7.530 1.00 54.43 H new ATOM 0 HA ASN A 54 -6.267 -13.846 -8.090 1.00 23.04 H new ATOM 0 HB2 ASN A 54 -5.013 -13.539 -10.204 1.00 14.35 H new ATOM 0 HB3 ASN A 54 -6.151 -12.233 -9.940 1.00 14.35 H new ATOM 0 HD21 ASN A 54 -2.657 -11.021 -10.976 1.00 54.11 H new ATOM 0 HD22 ASN A 54 -3.685 -12.327 -11.577 1.00 54.11 H new ATOM 889 N ARG A 55 -3.253 -13.117 -7.043 1.00 71.21 N ATOM 890 CA ARG A 55 -2.010 -13.669 -6.489 1.00 11.24 C ATOM 891 C ARG A 55 -1.567 -12.881 -5.248 1.00 64.03 C ATOM 892 O ARG A 55 -2.113 -11.818 -4.948 1.00 11.04 O ATOM 893 CB ARG A 55 -0.885 -13.646 -7.532 1.00 64.41 C ATOM 894 CG ARG A 55 -0.442 -12.239 -7.932 1.00 5.33 C ATOM 895 CD ARG A 55 0.925 -12.245 -8.611 1.00 61.52 C ATOM 896 NE ARG A 55 1.960 -12.816 -7.744 1.00 40.35 N ATOM 897 CZ ARG A 55 3.184 -12.372 -7.651 1.00 71.32 C ATOM 898 NH1 ARG A 55 3.573 -11.340 -8.333 1.00 64.12 N ATOM 899 NH2 ARG A 55 4.016 -12.967 -6.863 1.00 60.35 N ATOM 0 H ARG A 55 -3.342 -12.106 -6.938 1.00 71.21 H new ATOM 0 HA ARG A 55 -2.210 -14.702 -6.205 1.00 11.24 H new ATOM 0 HB2 ARG A 55 -0.026 -14.189 -7.138 1.00 64.41 H new ATOM 0 HB3 ARG A 55 -1.217 -14.179 -8.423 1.00 64.41 H new ATOM 0 HG2 ARG A 55 -1.180 -11.804 -8.606 1.00 5.33 H new ATOM 0 HG3 ARG A 55 -0.405 -11.604 -7.047 1.00 5.33 H new ATOM 0 HD2 ARG A 55 0.869 -12.818 -9.536 1.00 61.52 H new ATOM 0 HD3 ARG A 55 1.200 -11.226 -8.883 1.00 61.52 H new ATOM 0 HE ARG A 55 1.705 -13.620 -7.171 1.00 40.35 H new ATOM 0 HH11 ARG A 55 2.919 -10.863 -8.953 1.00 64.12 H new ATOM 0 HH12 ARG A 55 4.533 -11.006 -8.249 1.00 64.12 H new ATOM 0 HH21 ARG A 55 3.715 -13.776 -6.320 1.00 60.35 H new ATOM 0 HH22 ARG A 55 4.975 -12.628 -6.783 1.00 60.35 H new ATOM 913 N ILE A 56 -0.579 -13.410 -4.531 1.00 53.13 N ATOM 914 CA ILE A 56 -0.022 -12.732 -3.359 1.00 74.42 C ATOM 915 C ILE A 56 1.443 -12.328 -3.605 1.00 21.44 C ATOM 916 O ILE A 56 2.271 -13.162 -3.975 1.00 14.53 O ATOM 917 CB ILE A 56 -0.109 -13.634 -2.100 1.00 61.51 C ATOM 918 CG1 ILE A 56 -1.580 -13.970 -1.796 1.00 64.32 C ATOM 919 CG2 ILE A 56 0.556 -12.963 -0.896 1.00 10.21 C ATOM 920 CD1 ILE A 56 -1.770 -14.857 -0.586 1.00 13.15 C ATOM 0 H ILE A 56 -0.145 -14.309 -4.740 1.00 53.13 H new ATOM 0 HA ILE A 56 -0.614 -11.833 -3.188 1.00 74.42 H new ATOM 0 HB ILE A 56 0.429 -14.561 -2.300 1.00 61.51 H new ATOM 0 HG12 ILE A 56 -2.130 -13.042 -1.643 1.00 64.32 H new ATOM 0 HG13 ILE A 56 -2.017 -14.460 -2.666 1.00 64.32 H new ATOM 0 HG21 ILE A 56 0.480 -13.617 -0.027 1.00 10.21 H new ATOM 0 HG22 ILE A 56 1.606 -12.775 -1.118 1.00 10.21 H new ATOM 0 HG23 ILE A 56 0.055 -12.018 -0.684 1.00 10.21 H new ATOM 0 HD11 ILE A 56 -2.833 -15.048 -0.438 1.00 13.15 H new ATOM 0 HD12 ILE A 56 -1.250 -15.802 -0.742 1.00 13.15 H new ATOM 0 HD13 ILE A 56 -1.364 -14.361 0.296 1.00 13.15 H new ATOM 932 N PRO A 57 1.784 -11.038 -3.416 1.00 30.42 N ATOM 933 CA PRO A 57 3.156 -10.549 -3.634 1.00 64.54 C ATOM 934 C PRO A 57 4.179 -11.163 -2.663 1.00 31.30 C ATOM 935 O PRO A 57 4.275 -10.757 -1.501 1.00 61.12 O ATOM 936 CB PRO A 57 3.037 -9.033 -3.410 1.00 52.21 C ATOM 937 CG PRO A 57 1.810 -8.860 -2.575 1.00 15.34 C ATOM 938 CD PRO A 57 0.872 -9.961 -2.987 1.00 30.52 C ATOM 0 HA PRO A 57 3.524 -10.822 -4.623 1.00 64.54 H new ATOM 0 HB2 PRO A 57 3.918 -8.639 -2.903 1.00 52.21 H new ATOM 0 HB3 PRO A 57 2.948 -8.500 -4.357 1.00 52.21 H new ATOM 0 HG2 PRO A 57 2.048 -8.926 -1.513 1.00 15.34 H new ATOM 0 HG3 PRO A 57 1.360 -7.881 -2.740 1.00 15.34 H new ATOM 0 HD2 PRO A 57 0.235 -10.278 -2.161 1.00 30.52 H new ATOM 0 HD3 PRO A 57 0.212 -9.646 -3.795 1.00 30.52 H new ATOM 946 N ILE A 58 4.924 -12.162 -3.133 1.00 61.03 N ATOM 947 CA ILE A 58 6.001 -12.751 -2.338 1.00 62.31 C ATOM 948 C ILE A 58 7.264 -11.875 -2.404 1.00 12.40 C ATOM 949 O ILE A 58 7.978 -11.852 -3.411 1.00 41.15 O ATOM 950 CB ILE A 58 6.322 -14.194 -2.811 1.00 43.51 C ATOM 951 CG1 ILE A 58 5.066 -15.080 -2.726 1.00 4.34 C ATOM 952 CG2 ILE A 58 7.462 -14.798 -1.993 1.00 14.10 C ATOM 953 CD1 ILE A 58 4.477 -15.190 -1.332 1.00 13.31 C ATOM 0 H ILE A 58 4.803 -12.579 -4.056 1.00 61.03 H new ATOM 0 HA ILE A 58 5.663 -12.800 -1.303 1.00 62.31 H new ATOM 0 HB ILE A 58 6.643 -14.146 -3.851 1.00 43.51 H new ATOM 0 HG12 ILE A 58 4.307 -14.681 -3.399 1.00 4.34 H new ATOM 0 HG13 ILE A 58 5.315 -16.079 -3.083 1.00 4.34 H new ATOM 0 HG21 ILE A 58 7.666 -15.809 -2.345 1.00 14.10 H new ATOM 0 HG22 ILE A 58 8.356 -14.186 -2.108 1.00 14.10 H new ATOM 0 HG23 ILE A 58 7.178 -14.831 -0.941 1.00 14.10 H new ATOM 0 HD11 ILE A 58 3.596 -15.831 -1.359 1.00 13.31 H new ATOM 0 HD12 ILE A 58 5.217 -15.619 -0.657 1.00 13.31 H new ATOM 0 HD13 ILE A 58 4.194 -14.199 -0.977 1.00 13.31 H new ATOM 965 N MET A 59 7.527 -11.159 -1.315 1.00 61.33 N ATOM 966 CA MET A 59 8.628 -10.190 -1.243 1.00 52.53 C ATOM 967 C MET A 59 9.859 -10.801 -0.548 1.00 33.43 C ATOM 968 O MET A 59 9.774 -11.219 0.608 1.00 11.35 O ATOM 969 CB MET A 59 8.147 -8.953 -0.470 1.00 21.24 C ATOM 970 CG MET A 59 9.080 -7.756 -0.555 1.00 21.11 C ATOM 971 SD MET A 59 9.221 -7.106 -2.232 1.00 3.41 S ATOM 972 CE MET A 59 10.072 -5.560 -1.926 1.00 43.30 C ATOM 0 H MET A 59 6.985 -11.231 -0.454 1.00 61.33 H new ATOM 0 HA MET A 59 8.922 -9.909 -2.254 1.00 52.53 H new ATOM 0 HB2 MET A 59 7.167 -8.662 -0.848 1.00 21.24 H new ATOM 0 HB3 MET A 59 8.017 -9.223 0.578 1.00 21.24 H new ATOM 0 HG2 MET A 59 8.717 -6.969 0.107 1.00 21.11 H new ATOM 0 HG3 MET A 59 10.068 -8.044 -0.196 1.00 21.11 H new ATOM 0 HE1 MET A 59 9.642 -4.778 -2.552 1.00 43.30 H new ATOM 0 HE2 MET A 59 9.962 -5.286 -0.877 1.00 43.30 H new ATOM 0 HE3 MET A 59 11.130 -5.674 -2.163 1.00 43.30 H new ATOM 982 N ALA A 60 10.995 -10.849 -1.250 1.00 3.24 N ATOM 983 CA ALA A 60 12.225 -11.458 -0.715 1.00 2.33 C ATOM 984 C ALA A 60 12.002 -12.929 -0.336 1.00 31.33 C ATOM 985 O ALA A 60 12.569 -13.425 0.643 1.00 42.23 O ATOM 986 CB ALA A 60 12.728 -10.666 0.490 1.00 42.02 C ATOM 0 H ALA A 60 11.092 -10.473 -2.193 1.00 3.24 H new ATOM 0 HA ALA A 60 12.983 -11.428 -1.498 1.00 2.33 H new ATOM 0 HB1 ALA A 60 13.637 -11.128 0.875 1.00 42.02 H new ATOM 0 HB2 ALA A 60 12.941 -9.641 0.188 1.00 42.02 H new ATOM 0 HB3 ALA A 60 11.965 -10.664 1.268 1.00 42.02 H new ATOM 992 N LYS A 61 11.195 -13.625 -1.138 1.00 25.21 N ATOM 993 CA LYS A 61 10.820 -15.024 -0.869 1.00 12.11 C ATOM 994 C LYS A 61 10.018 -15.146 0.441 1.00 61.13 C ATOM 995 O LYS A 61 9.961 -16.208 1.059 1.00 50.14 O ATOM 996 CB LYS A 61 12.070 -15.923 -0.841 1.00 40.31 C ATOM 997 CG LYS A 61 12.910 -15.842 -2.118 1.00 51.35 C ATOM 998 CD LYS A 61 12.097 -16.211 -3.360 1.00 75.04 C ATOM 999 CE LYS A 61 12.885 -15.993 -4.647 1.00 2.20 C ATOM 1000 NZ LYS A 61 12.079 -16.337 -5.847 1.00 3.01 N ATOM 0 H LYS A 61 10.782 -13.243 -1.989 1.00 25.21 H new ATOM 0 HA LYS A 61 10.175 -15.363 -1.680 1.00 12.11 H new ATOM 0 HB2 LYS A 61 12.690 -15.643 0.011 1.00 40.31 H new ATOM 0 HB3 LYS A 61 11.761 -16.956 -0.684 1.00 40.31 H new ATOM 0 HG2 LYS A 61 13.305 -14.832 -2.229 1.00 51.35 H new ATOM 0 HG3 LYS A 61 13.766 -16.511 -2.032 1.00 51.35 H new ATOM 0 HD2 LYS A 61 11.791 -17.255 -3.295 1.00 75.04 H new ATOM 0 HD3 LYS A 61 11.186 -15.613 -3.387 1.00 75.04 H new ATOM 0 HE2 LYS A 61 13.203 -14.952 -4.708 1.00 2.20 H new ATOM 0 HE3 LYS A 61 13.789 -16.602 -4.628 1.00 2.20 H new ATOM 0 HZ1 LYS A 61 12.646 -16.177 -6.704 1.00 3.01 H new ATOM 0 HZ2 LYS A 61 11.797 -17.337 -5.801 1.00 3.01 H new ATOM 0 HZ3 LYS A 61 11.229 -15.738 -5.878 1.00 3.01 H new ATOM 1014 N GLN A 62 9.377 -14.047 0.831 1.00 30.54 N ATOM 1015 CA GLN A 62 8.546 -13.985 2.037 1.00 20.21 C ATOM 1016 C GLN A 62 7.190 -13.326 1.730 1.00 30.24 C ATOM 1017 O GLN A 62 7.131 -12.306 1.046 1.00 73.13 O ATOM 1018 CB GLN A 62 9.295 -13.196 3.130 1.00 62.01 C ATOM 1019 CG GLN A 62 8.419 -12.707 4.285 1.00 20.50 C ATOM 1020 CD GLN A 62 7.720 -13.827 5.037 1.00 5.51 C ATOM 1021 OE1 GLN A 62 8.225 -14.941 5.145 1.00 34.33 O ATOM 1022 NE2 GLN A 62 6.543 -13.543 5.557 1.00 25.22 N ATOM 0 H GLN A 62 9.418 -13.167 0.317 1.00 30.54 H new ATOM 0 HA GLN A 62 8.353 -14.998 2.391 1.00 20.21 H new ATOM 0 HB2 GLN A 62 10.087 -13.826 3.535 1.00 62.01 H new ATOM 0 HB3 GLN A 62 9.778 -12.334 2.669 1.00 62.01 H new ATOM 0 HG2 GLN A 62 9.036 -12.142 4.984 1.00 20.50 H new ATOM 0 HG3 GLN A 62 7.669 -12.020 3.895 1.00 20.50 H new ATOM 0 HE21 GLN A 62 6.150 -12.608 5.450 1.00 25.22 H new ATOM 0 HE22 GLN A 62 6.025 -14.258 6.067 1.00 25.22 H new ATOM 1031 N VAL A 63 6.101 -13.915 2.226 1.00 73.20 N ATOM 1032 CA VAL A 63 4.764 -13.336 2.043 1.00 23.44 C ATOM 1033 C VAL A 63 4.689 -11.912 2.633 1.00 15.22 C ATOM 1034 O VAL A 63 5.068 -11.682 3.783 1.00 33.44 O ATOM 1035 CB VAL A 63 3.659 -14.235 2.668 1.00 53.51 C ATOM 1036 CG1 VAL A 63 3.867 -14.418 4.170 1.00 55.24 C ATOM 1037 CG2 VAL A 63 2.267 -13.674 2.372 1.00 41.41 C ATOM 0 H VAL A 63 6.115 -14.787 2.755 1.00 73.20 H new ATOM 0 HA VAL A 63 4.585 -13.278 0.969 1.00 23.44 H new ATOM 0 HB VAL A 63 3.735 -15.219 2.205 1.00 53.51 H new ATOM 0 HG11 VAL A 63 3.076 -15.051 4.572 1.00 55.24 H new ATOM 0 HG12 VAL A 63 4.834 -14.887 4.349 1.00 55.24 H new ATOM 0 HG13 VAL A 63 3.839 -13.446 4.662 1.00 55.24 H new ATOM 0 HG21 VAL A 63 1.512 -14.320 2.819 1.00 41.41 H new ATOM 0 HG22 VAL A 63 2.182 -12.672 2.792 1.00 41.41 H new ATOM 0 HG23 VAL A 63 2.114 -13.630 1.294 1.00 41.41 H new ATOM 1047 N LEU A 64 4.215 -10.961 1.828 1.00 31.24 N ATOM 1048 CA LEU A 64 4.199 -9.543 2.217 1.00 63.34 C ATOM 1049 C LEU A 64 2.982 -9.194 3.097 1.00 22.41 C ATOM 1050 O LEU A 64 1.830 -9.382 2.694 1.00 5.15 O ATOM 1051 CB LEU A 64 4.207 -8.662 0.959 1.00 74.23 C ATOM 1052 CG LEU A 64 4.334 -7.150 1.206 1.00 54.32 C ATOM 1053 CD1 LEU A 64 5.653 -6.825 1.906 1.00 15.13 C ATOM 1054 CD2 LEU A 64 4.217 -6.381 -0.108 1.00 55.34 C ATOM 0 H LEU A 64 3.835 -11.144 0.899 1.00 31.24 H new ATOM 0 HA LEU A 64 5.093 -9.353 2.810 1.00 63.34 H new ATOM 0 HB2 LEU A 64 5.033 -8.978 0.321 1.00 74.23 H new ATOM 0 HB3 LEU A 64 3.287 -8.845 0.404 1.00 74.23 H new ATOM 0 HG LEU A 64 3.518 -6.840 1.859 1.00 54.32 H new ATOM 0 HD11 LEU A 64 5.722 -5.750 2.071 1.00 15.13 H new ATOM 0 HD12 LEU A 64 5.693 -7.343 2.864 1.00 15.13 H new ATOM 0 HD13 LEU A 64 6.486 -7.151 1.283 1.00 15.13 H new ATOM 0 HD21 LEU A 64 4.309 -5.312 0.086 1.00 55.34 H new ATOM 0 HD22 LEU A 64 5.010 -6.696 -0.786 1.00 55.34 H new ATOM 0 HD23 LEU A 64 3.248 -6.585 -0.564 1.00 55.34 H new ATOM 1066 N ASP A 65 3.248 -8.678 4.298 1.00 62.42 N ATOM 1067 CA ASP A 65 2.190 -8.242 5.214 1.00 21.44 C ATOM 1068 C ASP A 65 1.436 -7.017 4.663 1.00 65.41 C ATOM 1069 O ASP A 65 1.817 -5.874 4.923 1.00 0.32 O ATOM 1070 CB ASP A 65 2.789 -7.909 6.587 1.00 71.31 C ATOM 1071 CG ASP A 65 3.465 -9.101 7.237 1.00 42.20 C ATOM 1072 OD1 ASP A 65 4.519 -9.538 6.736 1.00 25.54 O ATOM 1073 OD2 ASP A 65 2.941 -9.604 8.252 1.00 33.52 O ATOM 0 H ASP A 65 4.192 -8.551 4.662 1.00 62.42 H new ATOM 0 HA ASP A 65 1.477 -9.060 5.315 1.00 21.44 H new ATOM 0 HB2 ASP A 65 3.513 -7.102 6.476 1.00 71.31 H new ATOM 0 HB3 ASP A 65 2.000 -7.542 7.243 1.00 71.31 H new ATOM 1078 N LEU A 66 0.375 -7.266 3.895 1.00 32.35 N ATOM 1079 CA LEU A 66 -0.436 -6.186 3.311 1.00 13.44 C ATOM 1080 C LEU A 66 -0.943 -5.201 4.383 1.00 23.14 C ATOM 1081 O LEU A 66 -0.901 -3.986 4.192 1.00 73.44 O ATOM 1082 CB LEU A 66 -1.626 -6.776 2.539 1.00 44.42 C ATOM 1083 CG LEU A 66 -1.259 -7.706 1.368 1.00 71.44 C ATOM 1084 CD1 LEU A 66 -2.515 -8.270 0.705 1.00 64.21 C ATOM 1085 CD2 LEU A 66 -0.390 -6.975 0.342 1.00 50.32 C ATOM 0 H LEU A 66 0.053 -8.205 3.660 1.00 32.35 H new ATOM 0 HA LEU A 66 0.205 -5.630 2.627 1.00 13.44 H new ATOM 0 HB2 LEU A 66 -2.252 -7.330 3.238 1.00 44.42 H new ATOM 0 HB3 LEU A 66 -2.230 -5.955 2.153 1.00 44.42 H new ATOM 0 HG LEU A 66 -0.683 -8.539 1.770 1.00 71.44 H new ATOM 0 HD11 LEU A 66 -2.229 -8.924 -0.119 1.00 64.21 H new ATOM 0 HD12 LEU A 66 -3.089 -8.838 1.437 1.00 64.21 H new ATOM 0 HD13 LEU A 66 -3.124 -7.451 0.324 1.00 64.21 H new ATOM 0 HD21 LEU A 66 -0.144 -7.653 -0.475 1.00 50.32 H new ATOM 0 HD22 LEU A 66 -0.935 -6.116 -0.050 1.00 50.32 H new ATOM 0 HD23 LEU A 66 0.529 -6.634 0.820 1.00 50.32 H new ATOM 1097 N PHE A 67 -1.412 -5.732 5.515 1.00 55.23 N ATOM 1098 CA PHE A 67 -1.915 -4.897 6.616 1.00 22.25 C ATOM 1099 C PHE A 67 -0.833 -3.932 7.129 1.00 41.31 C ATOM 1100 O PHE A 67 -1.066 -2.729 7.256 1.00 11.14 O ATOM 1101 CB PHE A 67 -2.413 -5.783 7.769 1.00 4.52 C ATOM 1102 CG PHE A 67 -3.008 -5.011 8.928 1.00 63.23 C ATOM 1103 CD1 PHE A 67 -2.198 -4.499 9.934 1.00 21.23 C ATOM 1104 CD2 PHE A 67 -4.377 -4.805 9.011 1.00 53.21 C ATOM 1105 CE1 PHE A 67 -2.742 -3.796 10.993 1.00 41.11 C ATOM 1106 CE2 PHE A 67 -4.925 -4.104 10.069 1.00 22.24 C ATOM 1107 CZ PHE A 67 -4.106 -3.599 11.060 1.00 45.22 C ATOM 0 H PHE A 67 -1.455 -6.735 5.696 1.00 55.23 H new ATOM 0 HA PHE A 67 -2.744 -4.303 6.231 1.00 22.25 H new ATOM 0 HB2 PHE A 67 -3.162 -6.475 7.384 1.00 4.52 H new ATOM 0 HB3 PHE A 67 -1.582 -6.385 8.136 1.00 4.52 H new ATOM 0 HD1 PHE A 67 -1.130 -4.652 9.888 1.00 21.23 H new ATOM 0 HD2 PHE A 67 -5.023 -5.197 8.239 1.00 53.21 H new ATOM 0 HE1 PHE A 67 -2.100 -3.402 11.767 1.00 41.11 H new ATOM 0 HE2 PHE A 67 -5.993 -3.951 10.121 1.00 22.24 H new ATOM 0 HZ PHE A 67 -4.533 -3.050 11.887 1.00 45.22 H new ATOM 1117 N MET A 68 0.352 -4.469 7.417 1.00 25.41 N ATOM 1118 CA MET A 68 1.461 -3.658 7.932 1.00 41.21 C ATOM 1119 C MET A 68 1.939 -2.649 6.882 1.00 4.22 C ATOM 1120 O MET A 68 2.246 -1.502 7.204 1.00 74.25 O ATOM 1121 CB MET A 68 2.624 -4.555 8.371 1.00 31.34 C ATOM 1122 CG MET A 68 2.243 -5.561 9.449 1.00 1.04 C ATOM 1123 SD MET A 68 1.558 -4.778 10.927 1.00 5.31 S ATOM 1124 CE MET A 68 2.933 -3.750 11.442 1.00 52.11 C ATOM 0 H MET A 68 0.571 -5.459 7.304 1.00 25.41 H new ATOM 0 HA MET A 68 1.098 -3.104 8.798 1.00 41.21 H new ATOM 0 HB2 MET A 68 3.006 -5.092 7.503 1.00 31.34 H new ATOM 0 HB3 MET A 68 3.436 -3.929 8.741 1.00 31.34 H new ATOM 0 HG2 MET A 68 1.514 -6.262 9.044 1.00 1.04 H new ATOM 0 HG3 MET A 68 3.123 -6.141 9.726 1.00 1.04 H new ATOM 0 HE1 MET A 68 2.773 -3.415 12.467 1.00 52.11 H new ATOM 0 HE2 MET A 68 3.857 -4.325 11.389 1.00 52.11 H new ATOM 0 HE3 MET A 68 3.006 -2.884 10.784 1.00 52.11 H new ATOM 1134 N LEU A 69 1.992 -3.088 5.625 1.00 42.53 N ATOM 1135 CA LEU A 69 2.364 -2.210 4.510 1.00 54.32 C ATOM 1136 C LEU A 69 1.430 -0.991 4.443 1.00 15.31 C ATOM 1137 O LEU A 69 1.879 0.145 4.280 1.00 60.30 O ATOM 1138 CB LEU A 69 2.314 -2.990 3.187 1.00 23.22 C ATOM 1139 CG LEU A 69 2.902 -2.259 1.970 1.00 25.41 C ATOM 1140 CD1 LEU A 69 4.395 -2.017 2.167 1.00 43.43 C ATOM 1141 CD2 LEU A 69 2.642 -3.050 0.691 1.00 55.24 C ATOM 0 H LEU A 69 1.782 -4.048 5.350 1.00 42.53 H new ATOM 0 HA LEU A 69 3.381 -1.854 4.675 1.00 54.32 H new ATOM 0 HB2 LEU A 69 2.849 -3.930 3.319 1.00 23.22 H new ATOM 0 HB3 LEU A 69 1.275 -3.242 2.972 1.00 23.22 H new ATOM 0 HG LEU A 69 2.409 -1.292 1.874 1.00 25.41 H new ATOM 0 HD11 LEU A 69 4.797 -1.498 1.297 1.00 43.43 H new ATOM 0 HD12 LEU A 69 4.550 -1.407 3.057 1.00 43.43 H new ATOM 0 HD13 LEU A 69 4.906 -2.972 2.288 1.00 43.43 H new ATOM 0 HD21 LEU A 69 3.066 -2.516 -0.160 1.00 55.24 H new ATOM 0 HD22 LEU A 69 3.106 -4.033 0.770 1.00 55.24 H new ATOM 0 HD23 LEU A 69 1.568 -3.167 0.547 1.00 55.24 H new ATOM 1153 N TYR A 70 0.126 -1.242 4.586 1.00 71.35 N ATOM 1154 CA TYR A 70 -0.880 -0.175 4.623 1.00 71.24 C ATOM 1155 C TYR A 70 -0.589 0.829 5.750 1.00 1.21 C ATOM 1156 O TYR A 70 -0.592 2.043 5.536 1.00 51.14 O ATOM 1157 CB TYR A 70 -2.280 -0.784 4.801 1.00 4.24 C ATOM 1158 CG TYR A 70 -3.398 0.243 4.872 1.00 1.25 C ATOM 1159 CD1 TYR A 70 -3.916 0.820 3.715 1.00 63.03 C ATOM 1160 CD2 TYR A 70 -3.935 0.636 6.095 1.00 74.43 C ATOM 1161 CE1 TYR A 70 -4.932 1.756 3.776 1.00 33.21 C ATOM 1162 CE2 TYR A 70 -4.950 1.570 6.162 1.00 22.03 C ATOM 1163 CZ TYR A 70 -5.444 2.127 5.002 1.00 24.41 C ATOM 1164 OH TYR A 70 -6.449 3.066 5.073 1.00 31.11 O ATOM 0 H TYR A 70 -0.261 -2.181 4.679 1.00 71.35 H new ATOM 0 HA TYR A 70 -0.839 0.365 3.677 1.00 71.24 H new ATOM 0 HB2 TYR A 70 -2.477 -1.463 3.972 1.00 4.24 H new ATOM 0 HB3 TYR A 70 -2.292 -1.382 5.712 1.00 4.24 H new ATOM 0 HD1 TYR A 70 -3.517 0.531 2.754 1.00 63.03 H new ATOM 0 HD2 TYR A 70 -3.551 0.203 7.007 1.00 74.43 H new ATOM 0 HE1 TYR A 70 -5.322 2.194 2.869 1.00 33.21 H new ATOM 0 HE2 TYR A 70 -5.355 1.863 7.119 1.00 22.03 H new ATOM 0 HH TYR A 70 -6.695 3.211 6.010 1.00 31.11 H new ATOM 1174 N VAL A 71 -0.325 0.316 6.948 1.00 54.23 N ATOM 1175 CA VAL A 71 -0.064 1.166 8.114 1.00 34.33 C ATOM 1176 C VAL A 71 1.173 2.063 7.910 1.00 35.24 C ATOM 1177 O VAL A 71 1.081 3.288 8.005 1.00 52.14 O ATOM 1178 CB VAL A 71 0.123 0.321 9.398 1.00 11.01 C ATOM 1179 CG1 VAL A 71 0.379 1.217 10.609 1.00 20.02 C ATOM 1180 CG2 VAL A 71 -1.091 -0.574 9.638 1.00 72.53 C ATOM 0 H VAL A 71 -0.285 -0.685 7.141 1.00 54.23 H new ATOM 0 HA VAL A 71 -0.940 1.805 8.229 1.00 34.33 H new ATOM 0 HB VAL A 71 0.996 -0.316 9.257 1.00 11.01 H new ATOM 0 HG11 VAL A 71 0.507 0.599 11.498 1.00 20.02 H new ATOM 0 HG12 VAL A 71 1.282 1.805 10.442 1.00 20.02 H new ATOM 0 HG13 VAL A 71 -0.469 1.887 10.752 1.00 20.02 H new ATOM 0 HG21 VAL A 71 -0.938 -1.159 10.545 1.00 72.53 H new ATOM 0 HG22 VAL A 71 -1.982 0.044 9.750 1.00 72.53 H new ATOM 0 HG23 VAL A 71 -1.220 -1.247 8.790 1.00 72.53 H new ATOM 1190 N LEU A 72 2.318 1.444 7.611 1.00 10.53 N ATOM 1191 CA LEU A 72 3.590 2.175 7.462 1.00 5.35 C ATOM 1192 C LEU A 72 3.514 3.286 6.398 1.00 5.50 C ATOM 1193 O LEU A 72 4.103 4.354 6.562 1.00 13.30 O ATOM 1194 CB LEU A 72 4.736 1.199 7.129 1.00 75.11 C ATOM 1195 CG LEU A 72 5.377 0.480 8.333 1.00 12.11 C ATOM 1196 CD1 LEU A 72 5.999 1.491 9.292 1.00 21.41 C ATOM 1197 CD2 LEU A 72 4.362 -0.400 9.062 1.00 52.32 C ATOM 0 H LEU A 72 2.396 0.437 7.466 1.00 10.53 H new ATOM 0 HA LEU A 72 3.790 2.659 8.418 1.00 5.35 H new ATOM 0 HB2 LEU A 72 4.357 0.445 6.440 1.00 75.11 H new ATOM 0 HB3 LEU A 72 5.515 1.750 6.602 1.00 75.11 H new ATOM 0 HG LEU A 72 6.166 -0.169 7.952 1.00 12.11 H new ATOM 0 HD11 LEU A 72 6.446 0.965 10.135 1.00 21.41 H new ATOM 0 HD12 LEU A 72 6.768 2.061 8.771 1.00 21.41 H new ATOM 0 HD13 LEU A 72 5.228 2.170 9.656 1.00 21.41 H new ATOM 0 HD21 LEU A 72 4.847 -0.892 9.905 1.00 52.32 H new ATOM 0 HD22 LEU A 72 3.540 0.217 9.425 1.00 52.32 H new ATOM 0 HD23 LEU A 72 3.974 -1.153 8.376 1.00 52.32 H new ATOM 1209 N VAL A 73 2.795 3.035 5.310 1.00 75.10 N ATOM 1210 CA VAL A 73 2.661 4.025 4.234 1.00 5.02 C ATOM 1211 C VAL A 73 1.668 5.146 4.598 1.00 63.25 C ATOM 1212 O VAL A 73 2.002 6.334 4.519 1.00 45.24 O ATOM 1213 CB VAL A 73 2.221 3.349 2.911 1.00 3.24 C ATOM 1214 CG1 VAL A 73 1.985 4.382 1.810 1.00 61.21 C ATOM 1215 CG2 VAL A 73 3.258 2.318 2.464 1.00 54.52 C ATOM 0 H VAL A 73 2.296 2.161 5.145 1.00 75.10 H new ATOM 0 HA VAL A 73 3.644 4.475 4.099 1.00 5.02 H new ATOM 0 HB VAL A 73 1.277 2.837 3.097 1.00 3.24 H new ATOM 0 HG11 VAL A 73 1.678 3.875 0.895 1.00 61.21 H new ATOM 0 HG12 VAL A 73 1.203 5.074 2.122 1.00 61.21 H new ATOM 0 HG13 VAL A 73 2.906 4.935 1.626 1.00 61.21 H new ATOM 0 HG21 VAL A 73 2.932 1.854 1.533 1.00 54.52 H new ATOM 0 HG22 VAL A 73 4.217 2.811 2.307 1.00 54.52 H new ATOM 0 HG23 VAL A 73 3.365 1.553 3.233 1.00 54.52 H new ATOM 1225 N THR A 74 0.458 4.772 5.014 1.00 34.13 N ATOM 1226 CA THR A 74 -0.587 5.761 5.328 1.00 62.51 C ATOM 1227 C THR A 74 -0.187 6.686 6.485 1.00 43.12 C ATOM 1228 O THR A 74 -0.508 7.877 6.467 1.00 71.44 O ATOM 1229 CB THR A 74 -1.942 5.098 5.672 1.00 62.43 C ATOM 1230 OG1 THR A 74 -1.815 4.263 6.834 1.00 74.24 O ATOM 1231 CG2 THR A 74 -2.459 4.274 4.500 1.00 20.44 C ATOM 0 H THR A 74 0.173 3.801 5.142 1.00 34.13 H new ATOM 0 HA THR A 74 -0.700 6.353 4.420 1.00 62.51 H new ATOM 0 HB THR A 74 -2.658 5.893 5.882 1.00 62.43 H new ATOM 0 HG1 THR A 74 -1.398 3.413 6.582 1.00 74.24 H new ATOM 0 HG21 THR A 74 -3.412 3.819 4.768 1.00 20.44 H new ATOM 0 HG22 THR A 74 -2.596 4.920 3.633 1.00 20.44 H new ATOM 0 HG23 THR A 74 -1.739 3.492 4.259 1.00 20.44 H new ATOM 1239 N GLU A 75 0.522 6.150 7.485 1.00 21.21 N ATOM 1240 CA GLU A 75 0.959 6.959 8.635 1.00 30.22 C ATOM 1241 C GLU A 75 1.872 8.114 8.191 1.00 43.32 C ATOM 1242 O GLU A 75 1.895 9.175 8.813 1.00 70.33 O ATOM 1243 CB GLU A 75 1.686 6.102 9.688 1.00 4.35 C ATOM 1244 CG GLU A 75 3.030 5.545 9.228 1.00 2.04 C ATOM 1245 CD GLU A 75 3.870 5.005 10.377 1.00 2.11 C ATOM 1246 OE1 GLU A 75 3.679 3.838 10.775 1.00 13.41 O ATOM 1247 OE2 GLU A 75 4.727 5.757 10.897 1.00 20.14 O ATOM 0 H GLU A 75 0.804 5.171 7.525 1.00 21.21 H new ATOM 0 HA GLU A 75 0.058 7.375 9.087 1.00 30.22 H new ATOM 0 HB2 GLU A 75 1.843 6.704 10.583 1.00 4.35 H new ATOM 0 HB3 GLU A 75 1.040 5.271 9.972 1.00 4.35 H new ATOM 0 HG2 GLU A 75 2.859 4.749 8.504 1.00 2.04 H new ATOM 0 HG3 GLU A 75 3.586 6.329 8.715 1.00 2.04 H new ATOM 1254 N LYS A 76 2.622 7.901 7.108 1.00 51.15 N ATOM 1255 CA LYS A 76 3.511 8.937 6.568 1.00 54.12 C ATOM 1256 C LYS A 76 2.709 10.016 5.821 1.00 40.04 C ATOM 1257 O LYS A 76 3.159 11.156 5.674 1.00 75.00 O ATOM 1258 CB LYS A 76 4.552 8.311 5.624 1.00 74.12 C ATOM 1259 CG LYS A 76 5.323 7.137 6.227 1.00 23.55 C ATOM 1260 CD LYS A 76 5.948 7.484 7.578 1.00 74.34 C ATOM 1261 CE LYS A 76 6.744 6.316 8.159 1.00 73.30 C ATOM 1262 NZ LYS A 76 7.104 6.554 9.581 1.00 63.24 N ATOM 0 H LYS A 76 2.633 7.024 6.587 1.00 51.15 H new ATOM 0 HA LYS A 76 4.026 9.407 7.405 1.00 54.12 H new ATOM 0 HB2 LYS A 76 4.047 7.973 4.719 1.00 74.12 H new ATOM 0 HB3 LYS A 76 5.262 9.081 5.324 1.00 74.12 H new ATOM 0 HG2 LYS A 76 4.650 6.288 6.348 1.00 23.55 H new ATOM 0 HG3 LYS A 76 6.107 6.827 5.536 1.00 23.55 H new ATOM 0 HD2 LYS A 76 6.603 8.347 7.463 1.00 74.34 H new ATOM 0 HD3 LYS A 76 5.163 7.771 8.277 1.00 74.34 H new ATOM 0 HE2 LYS A 76 6.158 5.400 8.080 1.00 73.30 H new ATOM 0 HE3 LYS A 76 7.651 6.166 7.573 1.00 73.30 H new ATOM 0 HZ1 LYS A 76 7.933 5.978 9.830 1.00 63.24 H new ATOM 0 HZ2 LYS A 76 7.327 7.560 9.719 1.00 63.24 H new ATOM 0 HZ3 LYS A 76 6.304 6.290 10.191 1.00 63.24 H new ATOM 1276 N GLY A 77 1.514 9.645 5.361 1.00 41.33 N ATOM 1277 CA GLY A 77 0.660 10.575 4.628 1.00 4.40 C ATOM 1278 C GLY A 77 -0.091 9.916 3.472 1.00 21.33 C ATOM 1279 O GLY A 77 -1.105 10.434 3.010 1.00 2.31 O ATOM 0 H GLY A 77 1.119 8.713 5.483 1.00 41.33 H new ATOM 0 HA2 GLY A 77 -0.060 11.017 5.316 1.00 4.40 H new ATOM 0 HA3 GLY A 77 1.270 11.390 4.239 1.00 4.40 H new ATOM 1283 N GLY A 78 0.412 8.776 3.000 1.00 40.55 N ATOM 1284 CA GLY A 78 -0.214 8.078 1.877 1.00 32.23 C ATOM 1285 C GLY A 78 0.792 7.659 0.811 1.00 72.22 C ATOM 1286 O GLY A 78 1.963 8.043 0.872 1.00 22.52 O ATOM 0 H GLY A 78 1.244 8.319 3.374 1.00 40.55 H new ATOM 0 HA2 GLY A 78 -0.734 7.194 2.248 1.00 32.23 H new ATOM 0 HA3 GLY A 78 -0.967 8.725 1.426 1.00 32.23 H new ATOM 1290 N LEU A 79 0.339 6.881 -0.172 1.00 31.21 N ATOM 1291 CA LEU A 79 1.214 6.379 -1.241 1.00 1.40 C ATOM 1292 C LEU A 79 1.990 7.514 -1.935 1.00 22.22 C ATOM 1293 O LEU A 79 3.220 7.475 -2.020 1.00 42.11 O ATOM 1294 CB LEU A 79 0.389 5.597 -2.276 1.00 20.01 C ATOM 1295 CG LEU A 79 1.195 4.990 -3.441 1.00 43.12 C ATOM 1296 CD1 LEU A 79 2.281 4.049 -2.923 1.00 21.35 C ATOM 1297 CD2 LEU A 79 0.271 4.258 -4.415 1.00 12.55 C ATOM 0 H LEU A 79 -0.633 6.582 -0.253 1.00 31.21 H new ATOM 0 HA LEU A 79 1.945 5.716 -0.779 1.00 1.40 H new ATOM 0 HB2 LEU A 79 -0.138 4.792 -1.763 1.00 20.01 H new ATOM 0 HB3 LEU A 79 -0.369 6.262 -2.689 1.00 20.01 H new ATOM 0 HG LEU A 79 1.680 5.807 -3.975 1.00 43.12 H new ATOM 0 HD11 LEU A 79 2.835 3.634 -3.765 1.00 21.35 H new ATOM 0 HD12 LEU A 79 2.963 4.601 -2.277 1.00 21.35 H new ATOM 0 HD13 LEU A 79 1.821 3.239 -2.357 1.00 21.35 H new ATOM 0 HD21 LEU A 79 0.861 3.837 -5.229 1.00 12.55 H new ATOM 0 HD22 LEU A 79 -0.248 3.456 -3.891 1.00 12.55 H new ATOM 0 HD23 LEU A 79 -0.459 4.959 -4.820 1.00 12.55 H new ATOM 1309 N VAL A 80 1.270 8.524 -2.422 1.00 51.14 N ATOM 1310 CA VAL A 80 1.898 9.666 -3.106 1.00 73.11 C ATOM 1311 C VAL A 80 2.927 10.367 -2.203 1.00 14.12 C ATOM 1312 O VAL A 80 4.048 10.657 -2.628 1.00 61.43 O ATOM 1313 CB VAL A 80 0.839 10.697 -3.570 1.00 10.11 C ATOM 1314 CG1 VAL A 80 1.492 11.850 -4.334 1.00 51.51 C ATOM 1315 CG2 VAL A 80 -0.231 10.014 -4.418 1.00 11.33 C ATOM 0 H VAL A 80 0.253 8.580 -2.358 1.00 51.14 H new ATOM 0 HA VAL A 80 2.411 9.265 -3.980 1.00 73.11 H new ATOM 0 HB VAL A 80 0.360 11.117 -2.686 1.00 10.11 H new ATOM 0 HG11 VAL A 80 0.726 12.559 -4.648 1.00 51.51 H new ATOM 0 HG12 VAL A 80 2.210 12.355 -3.687 1.00 51.51 H new ATOM 0 HG13 VAL A 80 2.006 11.459 -5.212 1.00 51.51 H new ATOM 0 HG21 VAL A 80 -0.968 10.751 -4.737 1.00 11.33 H new ATOM 0 HG22 VAL A 80 0.233 9.562 -5.295 1.00 11.33 H new ATOM 0 HG23 VAL A 80 -0.723 9.240 -3.829 1.00 11.33 H new ATOM 1325 N GLU A 81 2.538 10.623 -0.955 1.00 43.03 N ATOM 1326 CA GLU A 81 3.432 11.242 0.031 1.00 54.03 C ATOM 1327 C GLU A 81 4.744 10.449 0.149 1.00 3.12 C ATOM 1328 O GLU A 81 5.830 11.001 -0.006 1.00 50.11 O ATOM 1329 CB GLU A 81 2.731 11.313 1.398 1.00 42.14 C ATOM 1330 CG GLU A 81 3.538 12.007 2.500 1.00 21.25 C ATOM 1331 CD GLU A 81 3.739 13.501 2.267 1.00 45.22 C ATOM 1332 OE1 GLU A 81 2.863 14.139 1.647 1.00 30.12 O ATOM 1333 OE2 GLU A 81 4.760 14.051 2.729 1.00 61.01 O ATOM 0 H GLU A 81 1.606 10.411 -0.598 1.00 43.03 H new ATOM 0 HA GLU A 81 3.672 12.252 -0.302 1.00 54.03 H new ATOM 0 HB2 GLU A 81 1.783 11.837 1.277 1.00 42.14 H new ATOM 0 HB3 GLU A 81 2.496 10.299 1.723 1.00 42.14 H new ATOM 0 HG2 GLU A 81 3.032 11.862 3.454 1.00 21.25 H new ATOM 0 HG3 GLU A 81 4.513 11.527 2.581 1.00 21.25 H new ATOM 1340 N VAL A 82 4.623 9.143 0.395 1.00 14.40 N ATOM 1341 CA VAL A 82 5.788 8.257 0.526 1.00 13.12 C ATOM 1342 C VAL A 82 6.668 8.272 -0.736 1.00 3.33 C ATOM 1343 O VAL A 82 7.901 8.260 -0.646 1.00 15.10 O ATOM 1344 CB VAL A 82 5.345 6.804 0.842 1.00 21.13 C ATOM 1345 CG1 VAL A 82 6.533 5.839 0.845 1.00 2.54 C ATOM 1346 CG2 VAL A 82 4.615 6.760 2.181 1.00 51.20 C ATOM 0 H VAL A 82 3.726 8.671 0.509 1.00 14.40 H new ATOM 0 HA VAL A 82 6.383 8.638 1.356 1.00 13.12 H new ATOM 0 HB VAL A 82 4.665 6.481 0.054 1.00 21.13 H new ATOM 0 HG11 VAL A 82 6.183 4.832 1.070 1.00 2.54 H new ATOM 0 HG12 VAL A 82 7.011 5.847 -0.135 1.00 2.54 H new ATOM 0 HG13 VAL A 82 7.253 6.150 1.602 1.00 2.54 H new ATOM 0 HG21 VAL A 82 4.308 5.736 2.394 1.00 51.20 H new ATOM 0 HG22 VAL A 82 5.280 7.111 2.970 1.00 51.20 H new ATOM 0 HG23 VAL A 82 3.735 7.401 2.137 1.00 51.20 H new ATOM 1356 N ILE A 83 6.034 8.307 -1.909 1.00 24.11 N ATOM 1357 CA ILE A 83 6.760 8.408 -3.181 1.00 31.01 C ATOM 1358 C ILE A 83 7.621 9.683 -3.232 1.00 42.55 C ATOM 1359 O ILE A 83 8.810 9.633 -3.554 1.00 3.41 O ATOM 1360 CB ILE A 83 5.786 8.398 -4.391 1.00 72.50 C ATOM 1361 CG1 ILE A 83 5.039 7.056 -4.472 1.00 23.43 C ATOM 1362 CG2 ILE A 83 6.530 8.688 -5.698 1.00 50.02 C ATOM 1363 CD1 ILE A 83 3.998 6.993 -5.572 1.00 31.41 C ATOM 0 H ILE A 83 5.020 8.267 -2.007 1.00 24.11 H new ATOM 0 HA ILE A 83 7.411 7.536 -3.244 1.00 31.01 H new ATOM 0 HB ILE A 83 5.052 9.190 -4.242 1.00 72.50 H new ATOM 0 HG12 ILE A 83 5.764 6.257 -4.627 1.00 23.43 H new ATOM 0 HG13 ILE A 83 4.553 6.864 -3.515 1.00 23.43 H new ATOM 0 HG21 ILE A 83 5.825 8.675 -6.529 1.00 50.02 H new ATOM 0 HG22 ILE A 83 7.002 9.669 -5.638 1.00 50.02 H new ATOM 0 HG23 ILE A 83 7.294 7.927 -5.859 1.00 50.02 H new ATOM 0 HD11 ILE A 83 3.517 6.015 -5.562 1.00 31.41 H new ATOM 0 HD12 ILE A 83 3.249 7.768 -5.409 1.00 31.41 H new ATOM 0 HD13 ILE A 83 4.479 7.151 -6.537 1.00 31.41 H new ATOM 1375 N ASN A 84 7.010 10.817 -2.899 1.00 64.13 N ATOM 1376 CA ASN A 84 7.707 12.110 -2.906 1.00 74.32 C ATOM 1377 C ASN A 84 8.765 12.198 -1.788 1.00 62.03 C ATOM 1378 O ASN A 84 9.803 12.847 -1.950 1.00 4.41 O ATOM 1379 CB ASN A 84 6.687 13.247 -2.766 1.00 31.34 C ATOM 1380 CG ASN A 84 5.686 13.270 -3.911 1.00 2.14 C ATOM 1381 OD1 ASN A 84 5.997 12.888 -5.034 1.00 51.42 O ATOM 1382 ND2 ASN A 84 4.474 13.712 -3.637 1.00 21.01 N ATOM 0 H ASN A 84 6.031 10.872 -2.619 1.00 64.13 H new ATOM 0 HA ASN A 84 8.232 12.205 -3.857 1.00 74.32 H new ATOM 0 HB2 ASN A 84 6.153 13.139 -1.822 1.00 31.34 H new ATOM 0 HB3 ASN A 84 7.213 14.201 -2.727 1.00 31.34 H new ATOM 0 HD21 ASN A 84 3.765 13.743 -4.369 1.00 21.01 H new ATOM 0 HD22 ASN A 84 4.246 14.023 -2.693 1.00 21.01 H new ATOM 1389 N LYS A 85 8.496 11.544 -0.657 1.00 34.15 N ATOM 1390 CA LYS A 85 9.423 11.534 0.484 1.00 13.51 C ATOM 1391 C LYS A 85 10.563 10.519 0.287 1.00 31.32 C ATOM 1392 O LYS A 85 11.583 10.582 0.976 1.00 13.11 O ATOM 1393 CB LYS A 85 8.660 11.192 1.772 1.00 74.32 C ATOM 1394 CG LYS A 85 7.551 12.177 2.143 1.00 2.14 C ATOM 1395 CD LYS A 85 8.005 13.256 3.128 1.00 33.45 C ATOM 1396 CE LYS A 85 9.128 14.130 2.583 1.00 30.44 C ATOM 1397 NZ LYS A 85 9.313 15.358 3.402 1.00 41.13 N ATOM 0 H LYS A 85 7.640 11.011 -0.503 1.00 34.15 H new ATOM 0 HA LYS A 85 9.862 12.529 0.558 1.00 13.51 H new ATOM 0 HB2 LYS A 85 8.224 10.199 1.666 1.00 74.32 H new ATOM 0 HB3 LYS A 85 9.372 11.141 2.596 1.00 74.32 H new ATOM 0 HG2 LYS A 85 7.181 12.655 1.236 1.00 2.14 H new ATOM 0 HG3 LYS A 85 6.716 11.627 2.577 1.00 2.14 H new ATOM 0 HD2 LYS A 85 7.154 13.887 3.384 1.00 33.45 H new ATOM 0 HD3 LYS A 85 8.338 12.780 4.050 1.00 33.45 H new ATOM 0 HE2 LYS A 85 10.057 13.560 2.565 1.00 30.44 H new ATOM 0 HE3 LYS A 85 8.906 14.409 1.553 1.00 30.44 H new ATOM 0 HZ1 LYS A 85 10.085 15.929 3.002 1.00 41.13 H new ATOM 0 HZ2 LYS A 85 8.434 15.914 3.398 1.00 41.13 H new ATOM 0 HZ3 LYS A 85 9.550 15.091 4.379 1.00 41.13 H new ATOM 1411 N LYS A 86 10.375 9.580 -0.646 1.00 32.34 N ATOM 1412 CA LYS A 86 11.399 8.570 -0.976 1.00 73.43 C ATOM 1413 C LYS A 86 11.719 7.633 0.207 1.00 70.43 C ATOM 1414 O LYS A 86 12.622 6.799 0.117 1.00 73.51 O ATOM 1415 CB LYS A 86 12.696 9.257 -1.440 1.00 73.25 C ATOM 1416 CG LYS A 86 12.525 10.174 -2.650 1.00 62.13 C ATOM 1417 CD LYS A 86 12.215 9.393 -3.923 1.00 53.32 C ATOM 1418 CE LYS A 86 12.057 10.317 -5.123 1.00 32.14 C ATOM 1419 NZ LYS A 86 13.226 11.227 -5.282 1.00 41.22 N ATOM 0 H LYS A 86 9.518 9.494 -1.192 1.00 32.34 H new ATOM 0 HA LYS A 86 10.984 7.960 -1.779 1.00 73.43 H new ATOM 0 HB2 LYS A 86 13.101 9.839 -0.612 1.00 73.25 H new ATOM 0 HB3 LYS A 86 13.433 8.491 -1.681 1.00 73.25 H new ATOM 0 HG2 LYS A 86 11.721 10.884 -2.456 1.00 62.13 H new ATOM 0 HG3 LYS A 86 13.435 10.756 -2.795 1.00 62.13 H new ATOM 0 HD2 LYS A 86 13.015 8.678 -4.116 1.00 53.32 H new ATOM 0 HD3 LYS A 86 11.300 8.817 -3.784 1.00 53.32 H new ATOM 0 HE2 LYS A 86 11.936 9.720 -6.027 1.00 32.14 H new ATOM 0 HE3 LYS A 86 11.149 10.909 -5.008 1.00 32.14 H new ATOM 0 HZ1 LYS A 86 13.207 11.654 -6.230 1.00 41.22 H new ATOM 0 HZ2 LYS A 86 13.182 11.978 -4.564 1.00 41.22 H new ATOM 0 HZ3 LYS A 86 14.106 10.686 -5.163 1.00 41.22 H new ATOM 1433 N LEU A 87 10.959 7.733 1.299 1.00 14.43 N ATOM 1434 CA LEU A 87 11.308 7.026 2.542 1.00 74.22 C ATOM 1435 C LEU A 87 10.878 5.543 2.520 1.00 60.35 C ATOM 1436 O LEU A 87 10.717 4.916 3.572 1.00 4.01 O ATOM 1437 CB LEU A 87 10.720 7.762 3.769 1.00 1.43 C ATOM 1438 CG LEU A 87 9.257 7.449 4.140 1.00 51.02 C ATOM 1439 CD1 LEU A 87 8.894 8.102 5.470 1.00 24.13 C ATOM 1440 CD2 LEU A 87 8.299 7.904 3.048 1.00 34.30 C ATOM 0 H LEU A 87 10.106 8.289 1.353 1.00 14.43 H new ATOM 0 HA LEU A 87 12.395 7.031 2.622 1.00 74.22 H new ATOM 0 HB2 LEU A 87 11.345 7.533 4.632 1.00 1.43 H new ATOM 0 HB3 LEU A 87 10.802 8.834 3.592 1.00 1.43 H new ATOM 0 HG LEU A 87 9.162 6.368 4.240 1.00 51.02 H new ATOM 0 HD11 LEU A 87 7.858 7.871 5.718 1.00 24.13 H new ATOM 0 HD12 LEU A 87 9.548 7.720 6.254 1.00 24.13 H new ATOM 0 HD13 LEU A 87 9.016 9.182 5.390 1.00 24.13 H new ATOM 0 HD21 LEU A 87 7.276 7.669 3.341 1.00 34.30 H new ATOM 0 HD22 LEU A 87 8.397 8.980 2.903 1.00 34.30 H new ATOM 0 HD23 LEU A 87 8.538 7.390 2.117 1.00 34.30 H new ATOM 1452 N TRP A 88 10.738 4.971 1.317 1.00 12.44 N ATOM 1453 CA TRP A 88 10.444 3.534 1.168 1.00 3.12 C ATOM 1454 C TRP A 88 11.454 2.671 1.942 1.00 3.04 C ATOM 1455 O TRP A 88 11.159 1.537 2.309 1.00 2.02 O ATOM 1456 CB TRP A 88 10.436 3.117 -0.311 1.00 11.32 C ATOM 1457 CG TRP A 88 9.202 3.541 -1.060 1.00 43.35 C ATOM 1458 CD1 TRP A 88 9.093 4.545 -1.984 1.00 53.21 C ATOM 1459 CD2 TRP A 88 7.896 2.961 -0.943 1.00 0.20 C ATOM 1460 NE1 TRP A 88 7.801 4.615 -2.452 1.00 3.52 N ATOM 1461 CE2 TRP A 88 7.048 3.658 -1.822 1.00 3.41 C ATOM 1462 CE3 TRP A 88 7.363 1.921 -0.175 1.00 65.43 C ATOM 1463 CZ2 TRP A 88 5.699 3.346 -1.960 1.00 25.34 C ATOM 1464 CZ3 TRP A 88 6.022 1.612 -0.313 1.00 72.04 C ATOM 1465 CH2 TRP A 88 5.203 2.324 -1.196 1.00 61.32 C ATOM 0 H TRP A 88 10.823 5.476 0.435 1.00 12.44 H new ATOM 0 HA TRP A 88 9.451 3.368 1.586 1.00 3.12 H new ATOM 0 HB2 TRP A 88 11.311 3.542 -0.802 1.00 11.32 H new ATOM 0 HB3 TRP A 88 10.531 2.033 -0.373 1.00 11.32 H new ATOM 0 HD1 TRP A 88 9.902 5.187 -2.299 1.00 53.21 H new ATOM 0 HE1 TRP A 88 7.459 5.272 -3.153 1.00 3.52 H new ATOM 0 HE3 TRP A 88 7.987 1.370 0.513 1.00 65.43 H new ATOM 0 HZ2 TRP A 88 5.066 3.890 -2.645 1.00 25.34 H new ATOM 0 HZ3 TRP A 88 5.600 0.807 0.271 1.00 72.04 H new ATOM 0 HH2 TRP A 88 4.158 2.062 -1.277 1.00 61.32 H new ATOM 1476 N ARG A 89 12.648 3.218 2.175 1.00 33.03 N ATOM 1477 CA ARG A 89 13.655 2.565 3.019 1.00 52.23 C ATOM 1478 C ARG A 89 13.070 2.199 4.395 1.00 14.02 C ATOM 1479 O ARG A 89 13.200 1.067 4.858 1.00 22.35 O ATOM 1480 CB ARG A 89 14.873 3.490 3.188 1.00 30.22 C ATOM 1481 CG ARG A 89 15.719 3.645 1.923 1.00 24.01 C ATOM 1482 CD ARG A 89 16.514 2.377 1.620 1.00 71.11 C ATOM 1483 NE ARG A 89 17.230 2.450 0.346 1.00 3.12 N ATOM 1484 CZ ARG A 89 18.375 3.058 0.171 1.00 61.43 C ATOM 1485 NH1 ARG A 89 18.942 3.701 1.141 1.00 13.51 N ATOM 1486 NH2 ARG A 89 18.949 3.018 -0.985 1.00 53.22 N ATOM 0 H ARG A 89 12.944 4.115 1.790 1.00 33.03 H new ATOM 0 HA ARG A 89 13.969 1.643 2.530 1.00 52.23 H new ATOM 0 HB2 ARG A 89 14.527 4.474 3.504 1.00 30.22 H new ATOM 0 HB3 ARG A 89 15.503 3.101 3.988 1.00 30.22 H new ATOM 0 HG2 ARG A 89 15.072 3.880 1.078 1.00 24.01 H new ATOM 0 HG3 ARG A 89 16.404 4.485 2.043 1.00 24.01 H new ATOM 0 HD2 ARG A 89 17.229 2.200 2.424 1.00 71.11 H new ATOM 0 HD3 ARG A 89 15.836 1.524 1.603 1.00 71.11 H new ATOM 0 HE ARG A 89 16.807 1.995 -0.463 1.00 3.12 H new ATOM 0 HH11 ARG A 89 18.496 3.739 2.057 1.00 13.51 H new ATOM 0 HH12 ARG A 89 19.835 4.170 0.989 1.00 13.51 H new ATOM 0 HH21 ARG A 89 18.510 2.514 -1.755 1.00 53.22 H new ATOM 0 HH22 ARG A 89 19.842 3.490 -1.128 1.00 53.22 H new ATOM 1500 N GLU A 90 12.403 3.163 5.029 1.00 15.43 N ATOM 1501 CA GLU A 90 11.784 2.946 6.341 1.00 10.42 C ATOM 1502 C GLU A 90 10.579 1.998 6.244 1.00 53.14 C ATOM 1503 O GLU A 90 10.330 1.201 7.148 1.00 43.34 O ATOM 1504 CB GLU A 90 11.339 4.283 6.952 1.00 3.31 C ATOM 1505 CG GLU A 90 12.462 5.302 7.124 1.00 25.31 C ATOM 1506 CD GLU A 90 13.613 4.780 7.976 1.00 70.41 C ATOM 1507 OE1 GLU A 90 13.430 4.622 9.202 1.00 45.33 O ATOM 1508 OE2 GLU A 90 14.710 4.527 7.425 1.00 62.12 O ATOM 0 H GLU A 90 12.276 4.104 4.656 1.00 15.43 H new ATOM 0 HA GLU A 90 12.533 2.485 6.984 1.00 10.42 H new ATOM 0 HB2 GLU A 90 10.564 4.717 6.320 1.00 3.31 H new ATOM 0 HB3 GLU A 90 10.887 4.091 7.925 1.00 3.31 H new ATOM 0 HG2 GLU A 90 12.843 5.584 6.142 1.00 25.31 H new ATOM 0 HG3 GLU A 90 12.059 6.205 7.582 1.00 25.31 H new ATOM 1515 N ILE A 91 9.830 2.095 5.146 1.00 74.21 N ATOM 1516 CA ILE A 91 8.652 1.244 4.927 1.00 71.32 C ATOM 1517 C ILE A 91 9.056 -0.235 4.803 1.00 42.23 C ATOM 1518 O ILE A 91 8.553 -1.093 5.529 1.00 13.22 O ATOM 1519 CB ILE A 91 7.878 1.670 3.651 1.00 10.34 C ATOM 1520 CG1 ILE A 91 7.567 3.179 3.678 1.00 33.11 C ATOM 1521 CG2 ILE A 91 6.593 0.854 3.499 1.00 1.22 C ATOM 1522 CD1 ILE A 91 6.766 3.628 4.883 1.00 45.32 C ATOM 0 H ILE A 91 10.015 2.755 4.391 1.00 74.21 H new ATOM 0 HA ILE A 91 8.002 1.368 5.793 1.00 71.32 H new ATOM 0 HB ILE A 91 8.512 1.470 2.787 1.00 10.34 H new ATOM 0 HG12 ILE A 91 8.506 3.732 3.654 1.00 33.11 H new ATOM 0 HG13 ILE A 91 7.019 3.442 2.773 1.00 33.11 H new ATOM 0 HG21 ILE A 91 6.066 1.169 2.598 1.00 1.22 H new ATOM 0 HG22 ILE A 91 6.841 -0.205 3.423 1.00 1.22 H new ATOM 0 HG23 ILE A 91 5.955 1.015 4.368 1.00 1.22 H new ATOM 0 HD11 ILE A 91 6.591 4.702 4.824 1.00 45.32 H new ATOM 0 HD12 ILE A 91 5.810 3.105 4.900 1.00 45.32 H new ATOM 0 HD13 ILE A 91 7.320 3.400 5.794 1.00 45.32 H new ATOM 1534 N THR A 92 9.982 -0.513 3.886 1.00 51.44 N ATOM 1535 CA THR A 92 10.504 -1.873 3.681 1.00 62.12 C ATOM 1536 C THR A 92 11.132 -2.411 4.974 1.00 15.14 C ATOM 1537 O THR A 92 10.876 -3.544 5.389 1.00 33.11 O ATOM 1538 CB THR A 92 11.580 -1.896 2.562 1.00 21.42 C ATOM 1539 OG1 THR A 92 11.164 -1.083 1.455 1.00 45.24 O ATOM 1540 CG2 THR A 92 11.841 -3.311 2.066 1.00 2.11 C ATOM 0 H THR A 92 10.391 0.187 3.267 1.00 51.44 H new ATOM 0 HA THR A 92 9.663 -2.502 3.387 1.00 62.12 H new ATOM 0 HB THR A 92 12.501 -1.500 2.990 1.00 21.42 H new ATOM 0 HG1 THR A 92 11.302 -0.138 1.673 1.00 45.24 H new ATOM 0 HG21 THR A 92 12.599 -3.288 1.283 1.00 2.11 H new ATOM 0 HG22 THR A 92 12.192 -3.928 2.893 1.00 2.11 H new ATOM 0 HG23 THR A 92 10.919 -3.732 1.665 1.00 2.11 H new ATOM 1548 N LYS A 93 11.951 -1.575 5.609 1.00 62.21 N ATOM 1549 CA LYS A 93 12.597 -1.922 6.878 1.00 75.32 C ATOM 1550 C LYS A 93 11.557 -2.181 7.980 1.00 54.23 C ATOM 1551 O LYS A 93 11.731 -3.073 8.814 1.00 24.43 O ATOM 1552 CB LYS A 93 13.536 -0.786 7.301 1.00 23.53 C ATOM 1553 CG LYS A 93 14.366 -1.081 8.545 1.00 71.25 C ATOM 1554 CD LYS A 93 15.330 -2.239 8.319 1.00 12.50 C ATOM 1555 CE LYS A 93 16.216 -2.480 9.534 1.00 53.31 C ATOM 1556 NZ LYS A 93 17.180 -3.588 9.307 1.00 35.34 N ATOM 0 H LYS A 93 12.186 -0.644 5.264 1.00 62.21 H new ATOM 0 HA LYS A 93 13.169 -2.839 6.734 1.00 75.32 H new ATOM 0 HB2 LYS A 93 14.210 -0.563 6.474 1.00 23.53 H new ATOM 0 HB3 LYS A 93 12.943 0.111 7.480 1.00 23.53 H new ATOM 0 HG2 LYS A 93 14.927 -0.190 8.827 1.00 71.25 H new ATOM 0 HG3 LYS A 93 13.703 -1.317 9.377 1.00 71.25 H new ATOM 0 HD2 LYS A 93 14.765 -3.144 8.095 1.00 12.50 H new ATOM 0 HD3 LYS A 93 15.953 -2.029 7.450 1.00 12.50 H new ATOM 0 HE2 LYS A 93 16.762 -1.567 9.772 1.00 53.31 H new ATOM 0 HE3 LYS A 93 15.593 -2.713 10.397 1.00 53.31 H new ATOM 0 HZ1 LYS A 93 17.764 -3.720 10.157 1.00 35.34 H new ATOM 0 HZ2 LYS A 93 16.659 -4.465 9.105 1.00 35.34 H new ATOM 0 HZ3 LYS A 93 17.792 -3.355 8.499 1.00 35.34 H new ATOM 1570 N GLY A 94 10.478 -1.401 7.970 1.00 5.52 N ATOM 1571 CA GLY A 94 9.415 -1.548 8.962 1.00 4.42 C ATOM 1572 C GLY A 94 8.707 -2.898 8.900 1.00 44.40 C ATOM 1573 O GLY A 94 8.036 -3.296 9.853 1.00 23.41 O ATOM 0 H GLY A 94 10.317 -0.661 7.286 1.00 5.52 H new ATOM 0 HA2 GLY A 94 9.837 -1.414 9.958 1.00 4.42 H new ATOM 0 HA3 GLY A 94 8.681 -0.755 8.817 1.00 4.42 H new ATOM 1577 N LEU A 95 8.848 -3.603 7.779 1.00 1.34 N ATOM 1578 CA LEU A 95 8.250 -4.932 7.615 1.00 44.10 C ATOM 1579 C LEU A 95 9.282 -6.043 7.886 1.00 54.21 C ATOM 1580 O LEU A 95 9.065 -7.205 7.539 1.00 42.22 O ATOM 1581 CB LEU A 95 7.688 -5.070 6.194 1.00 75.04 C ATOM 1582 CG LEU A 95 6.732 -3.948 5.758 1.00 43.21 C ATOM 1583 CD1 LEU A 95 6.228 -4.190 4.342 1.00 52.42 C ATOM 1584 CD2 LEU A 95 5.567 -3.816 6.735 1.00 73.11 C ATOM 0 H LEU A 95 9.372 -3.277 6.967 1.00 1.34 H new ATOM 0 HA LEU A 95 7.443 -5.040 8.339 1.00 44.10 H new ATOM 0 HB2 LEU A 95 8.522 -5.109 5.493 1.00 75.04 H new ATOM 0 HB3 LEU A 95 7.164 -6.023 6.119 1.00 75.04 H new ATOM 0 HG LEU A 95 7.285 -3.009 5.765 1.00 43.21 H new ATOM 0 HD11 LEU A 95 5.553 -3.384 4.053 1.00 52.42 H new ATOM 0 HD12 LEU A 95 7.074 -4.219 3.655 1.00 52.42 H new ATOM 0 HD13 LEU A 95 5.696 -5.141 4.303 1.00 52.42 H new ATOM 0 HD21 LEU A 95 4.904 -3.016 6.405 1.00 73.11 H new ATOM 0 HD22 LEU A 95 5.013 -4.754 6.770 1.00 73.11 H new ATOM 0 HD23 LEU A 95 5.950 -3.584 7.729 1.00 73.11 H new ATOM 1596 N ASN A 96 10.406 -5.666 8.509 1.00 52.23 N ATOM 1597 CA ASN A 96 11.496 -6.606 8.825 1.00 72.10 C ATOM 1598 C ASN A 96 12.117 -7.188 7.536 1.00 23.54 C ATOM 1599 O ASN A 96 12.724 -8.262 7.543 1.00 42.51 O ATOM 1600 CB ASN A 96 10.975 -7.726 9.748 1.00 15.55 C ATOM 1601 CG ASN A 96 12.083 -8.560 10.381 1.00 74.22 C ATOM 1602 OD1 ASN A 96 11.919 -9.754 10.615 1.00 4.22 O ATOM 1603 ND2 ASN A 96 13.206 -7.939 10.689 1.00 34.44 N ATOM 0 H ASN A 96 10.588 -4.708 8.808 1.00 52.23 H new ATOM 0 HA ASN A 96 12.283 -6.064 9.350 1.00 72.10 H new ATOM 0 HB2 ASN A 96 10.369 -7.282 10.538 1.00 15.55 H new ATOM 0 HB3 ASN A 96 10.320 -8.382 9.175 1.00 15.55 H new ATOM 0 HD21 ASN A 96 13.967 -8.452 11.134 1.00 34.44 H new ATOM 0 HD22 ASN A 96 13.313 -6.946 10.482 1.00 34.44 H new ATOM 1610 N LEU A 97 11.981 -6.446 6.437 1.00 54.42 N ATOM 1611 CA LEU A 97 12.511 -6.867 5.135 1.00 54.44 C ATOM 1612 C LEU A 97 13.948 -6.365 4.921 1.00 74.51 C ATOM 1613 O LEU A 97 14.350 -5.343 5.486 1.00 11.41 O ATOM 1614 CB LEU A 97 11.628 -6.317 4.004 1.00 13.01 C ATOM 1615 CG LEU A 97 10.144 -6.704 4.059 1.00 51.30 C ATOM 1616 CD1 LEU A 97 9.375 -6.036 2.920 1.00 63.24 C ATOM 1617 CD2 LEU A 97 9.973 -8.222 4.015 1.00 33.05 C ATOM 0 H LEU A 97 11.505 -5.544 6.421 1.00 54.42 H new ATOM 0 HA LEU A 97 12.512 -7.957 5.121 1.00 54.44 H new ATOM 0 HB2 LEU A 97 11.700 -5.229 4.010 1.00 13.01 H new ATOM 0 HB3 LEU A 97 12.037 -6.658 3.053 1.00 13.01 H new ATOM 0 HG LEU A 97 9.733 -6.349 5.004 1.00 51.30 H new ATOM 0 HD11 LEU A 97 8.324 -6.321 2.974 1.00 63.24 H new ATOM 0 HD12 LEU A 97 9.462 -4.953 3.008 1.00 63.24 H new ATOM 0 HD13 LEU A 97 9.789 -6.357 1.964 1.00 63.24 H new ATOM 0 HD21 LEU A 97 8.912 -8.470 4.055 1.00 33.05 H new ATOM 0 HD22 LEU A 97 10.401 -8.610 3.091 1.00 33.05 H new ATOM 0 HD23 LEU A 97 10.483 -8.670 4.868 1.00 33.05 H new ATOM 1629 N PRO A 98 14.748 -7.075 4.102 1.00 21.52 N ATOM 1630 CA PRO A 98 16.062 -6.581 3.671 1.00 51.55 C ATOM 1631 C PRO A 98 15.931 -5.400 2.692 1.00 1.45 C ATOM 1632 O PRO A 98 15.486 -5.567 1.557 1.00 2.51 O ATOM 1633 CB PRO A 98 16.697 -7.801 2.985 1.00 32.23 C ATOM 1634 CG PRO A 98 15.540 -8.633 2.537 1.00 11.21 C ATOM 1635 CD PRO A 98 14.450 -8.415 3.555 1.00 41.21 C ATOM 0 HA PRO A 98 16.658 -6.199 4.500 1.00 51.55 H new ATOM 0 HB2 PRO A 98 17.319 -7.501 2.141 1.00 32.23 H new ATOM 0 HB3 PRO A 98 17.338 -8.353 3.673 1.00 32.23 H new ATOM 0 HG2 PRO A 98 15.209 -8.336 1.542 1.00 11.21 H new ATOM 0 HG3 PRO A 98 15.816 -9.686 2.481 1.00 11.21 H new ATOM 0 HD2 PRO A 98 13.461 -8.450 3.097 1.00 41.21 H new ATOM 0 HD3 PRO A 98 14.469 -9.179 4.332 1.00 41.21 H new ATOM 1643 N THR A 99 16.323 -4.204 3.128 1.00 42.10 N ATOM 1644 CA THR A 99 16.152 -2.983 2.316 1.00 14.14 C ATOM 1645 C THR A 99 17.036 -2.972 1.047 1.00 62.15 C ATOM 1646 O THR A 99 17.039 -2.000 0.288 1.00 15.31 O ATOM 1647 CB THR A 99 16.445 -1.710 3.153 1.00 25.34 C ATOM 1648 OG1 THR A 99 16.187 -0.528 2.381 1.00 70.12 O ATOM 1649 CG2 THR A 99 17.888 -1.691 3.654 1.00 72.50 C ATOM 0 H THR A 99 16.761 -4.046 4.036 1.00 42.10 H new ATOM 0 HA THR A 99 15.110 -2.984 1.996 1.00 14.14 H new ATOM 0 HB THR A 99 15.781 -1.728 4.017 1.00 25.34 H new ATOM 0 HG1 THR A 99 16.362 -0.711 1.434 1.00 70.12 H new ATOM 0 HG21 THR A 99 18.059 -0.786 4.237 1.00 72.50 H new ATOM 0 HG22 THR A 99 18.067 -2.565 4.280 1.00 72.50 H new ATOM 0 HG23 THR A 99 18.569 -1.709 2.803 1.00 72.50 H new ATOM 1657 N SER A 100 17.766 -4.060 0.812 1.00 71.34 N ATOM 1658 CA SER A 100 18.668 -4.173 -0.347 1.00 2.22 C ATOM 1659 C SER A 100 17.993 -4.842 -1.558 1.00 33.41 C ATOM 1660 O SER A 100 18.625 -5.023 -2.603 1.00 12.31 O ATOM 1661 CB SER A 100 19.914 -4.973 0.049 1.00 11.54 C ATOM 1662 OG SER A 100 19.554 -6.232 0.601 1.00 25.34 O ATOM 0 H SER A 100 17.754 -4.886 1.411 1.00 71.34 H new ATOM 0 HA SER A 100 18.942 -3.161 -0.644 1.00 2.22 H new ATOM 0 HB2 SER A 100 20.548 -5.123 -0.825 1.00 11.54 H new ATOM 0 HB3 SER A 100 20.499 -4.407 0.774 1.00 11.54 H new ATOM 0 HG SER A 100 20.364 -6.726 0.845 1.00 25.34 H new ATOM 1668 N ILE A 101 16.716 -5.207 -1.420 1.00 73.12 N ATOM 1669 CA ILE A 101 15.964 -5.857 -2.508 1.00 34.14 C ATOM 1670 C ILE A 101 15.981 -5.021 -3.804 1.00 5.41 C ATOM 1671 O ILE A 101 15.773 -3.806 -3.782 1.00 55.11 O ATOM 1672 CB ILE A 101 14.492 -6.123 -2.093 1.00 35.32 C ATOM 1673 CG1 ILE A 101 14.435 -7.052 -0.871 1.00 50.12 C ATOM 1674 CG2 ILE A 101 13.695 -6.717 -3.259 1.00 15.14 C ATOM 1675 CD1 ILE A 101 13.051 -7.194 -0.273 1.00 31.43 C ATOM 0 H ILE A 101 16.176 -5.065 -0.566 1.00 73.12 H new ATOM 0 HA ILE A 101 16.463 -6.806 -2.701 1.00 34.14 H new ATOM 0 HB ILE A 101 14.038 -5.170 -1.823 1.00 35.32 H new ATOM 0 HG12 ILE A 101 14.799 -8.038 -1.159 1.00 50.12 H new ATOM 0 HG13 ILE A 101 15.113 -6.673 -0.107 1.00 50.12 H new ATOM 0 HG21 ILE A 101 12.667 -6.895 -2.944 1.00 15.14 H new ATOM 0 HG22 ILE A 101 13.702 -6.020 -4.097 1.00 15.14 H new ATOM 0 HG23 ILE A 101 14.148 -7.659 -3.567 1.00 15.14 H new ATOM 0 HD11 ILE A 101 13.092 -7.865 0.585 1.00 31.43 H new ATOM 0 HD12 ILE A 101 12.691 -6.216 0.048 1.00 31.43 H new ATOM 0 HD13 ILE A 101 12.372 -7.603 -1.021 1.00 31.43 H new ATOM 1687 N THR A 102 16.227 -5.693 -4.932 1.00 22.41 N ATOM 1688 CA THR A 102 16.282 -5.036 -6.246 1.00 43.33 C ATOM 1689 C THR A 102 15.003 -4.234 -6.538 1.00 31.22 C ATOM 1690 O THR A 102 13.933 -4.811 -6.727 1.00 33.12 O ATOM 1691 CB THR A 102 16.488 -6.070 -7.382 1.00 23.42 C ATOM 1692 OG1 THR A 102 17.632 -6.892 -7.100 1.00 55.30 O ATOM 1693 CG2 THR A 102 16.683 -5.379 -8.731 1.00 5.51 C ATOM 0 H THR A 102 16.393 -6.699 -4.964 1.00 22.41 H new ATOM 0 HA THR A 102 17.131 -4.353 -6.212 1.00 43.33 H new ATOM 0 HB THR A 102 15.593 -6.689 -7.435 1.00 23.42 H new ATOM 0 HG1 THR A 102 17.753 -7.543 -7.822 1.00 55.30 H new ATOM 0 HG21 THR A 102 16.825 -6.131 -9.508 1.00 5.51 H new ATOM 0 HG22 THR A 102 15.803 -4.779 -8.963 1.00 5.51 H new ATOM 0 HG23 THR A 102 17.560 -4.734 -8.686 1.00 5.51 H new ATOM 1701 N SER A 103 15.127 -2.904 -6.555 1.00 4.32 N ATOM 1702 CA SER A 103 13.996 -2.007 -6.854 1.00 3.11 C ATOM 1703 C SER A 103 12.847 -2.165 -5.840 1.00 64.52 C ATOM 1704 O SER A 103 11.680 -1.955 -6.174 1.00 62.44 O ATOM 1705 CB SER A 103 13.481 -2.243 -8.287 1.00 44.41 C ATOM 1706 OG SER A 103 14.477 -1.922 -9.249 1.00 41.31 O ATOM 0 H SER A 103 16.003 -2.418 -6.365 1.00 4.32 H new ATOM 0 HA SER A 103 14.366 -0.985 -6.772 1.00 3.11 H new ATOM 0 HB2 SER A 103 13.182 -3.285 -8.402 1.00 44.41 H new ATOM 0 HB3 SER A 103 12.593 -1.636 -8.462 1.00 44.41 H new ATOM 0 HG SER A 103 14.126 -2.082 -10.150 1.00 41.31 H new ATOM 1712 N ALA A 104 13.198 -2.494 -4.590 1.00 64.44 N ATOM 1713 CA ALA A 104 12.218 -2.680 -3.504 1.00 5.32 C ATOM 1714 C ALA A 104 11.158 -1.567 -3.459 1.00 63.51 C ATOM 1715 O ALA A 104 9.957 -1.840 -3.383 1.00 2.22 O ATOM 1716 CB ALA A 104 12.943 -2.752 -2.164 1.00 52.15 C ATOM 0 H ALA A 104 14.165 -2.639 -4.300 1.00 64.44 H new ATOM 0 HA ALA A 104 11.694 -3.614 -3.703 1.00 5.32 H new ATOM 0 HB1 ALA A 104 12.216 -2.889 -1.364 1.00 52.15 H new ATOM 0 HB2 ALA A 104 13.638 -3.592 -2.171 1.00 52.15 H new ATOM 0 HB3 ALA A 104 13.494 -1.826 -1.998 1.00 52.15 H new ATOM 1722 N ALA A 105 11.616 -0.316 -3.516 1.00 45.34 N ATOM 1723 CA ALA A 105 10.726 0.849 -3.467 1.00 24.33 C ATOM 1724 C ALA A 105 9.647 0.809 -4.564 1.00 3.15 C ATOM 1725 O ALA A 105 8.523 1.272 -4.360 1.00 12.21 O ATOM 1726 CB ALA A 105 11.547 2.129 -3.580 1.00 40.33 C ATOM 0 H ALA A 105 12.605 -0.081 -3.597 1.00 45.34 H new ATOM 0 HA ALA A 105 10.207 0.827 -2.509 1.00 24.33 H new ATOM 0 HB1 ALA A 105 10.882 2.992 -3.543 1.00 40.33 H new ATOM 0 HB2 ALA A 105 12.255 2.181 -2.753 1.00 40.33 H new ATOM 0 HB3 ALA A 105 12.091 2.130 -4.525 1.00 40.33 H new ATOM 1732 N PHE A 106 10.003 0.273 -5.731 1.00 61.01 N ATOM 1733 CA PHE A 106 9.052 0.134 -6.839 1.00 14.23 C ATOM 1734 C PHE A 106 8.098 -1.045 -6.601 1.00 60.55 C ATOM 1735 O PHE A 106 6.881 -0.902 -6.714 1.00 0.10 O ATOM 1736 CB PHE A 106 9.800 -0.047 -8.168 1.00 71.30 C ATOM 1737 CG PHE A 106 8.888 -0.106 -9.370 1.00 64.53 C ATOM 1738 CD1 PHE A 106 8.303 1.049 -9.867 1.00 23.13 C ATOM 1739 CD2 PHE A 106 8.611 -1.315 -9.995 1.00 41.53 C ATOM 1740 CE1 PHE A 106 7.463 1.003 -10.963 1.00 55.33 C ATOM 1741 CE2 PHE A 106 7.771 -1.367 -11.091 1.00 21.32 C ATOM 1742 CZ PHE A 106 7.196 -0.206 -11.576 1.00 1.54 C ATOM 0 H PHE A 106 10.941 -0.072 -5.936 1.00 61.01 H new ATOM 0 HA PHE A 106 8.459 1.047 -6.891 1.00 14.23 H new ATOM 0 HB2 PHE A 106 10.503 0.777 -8.295 1.00 71.30 H new ATOM 0 HB3 PHE A 106 10.388 -0.964 -8.123 1.00 71.30 H new ATOM 0 HD1 PHE A 106 8.507 1.997 -9.391 1.00 23.13 H new ATOM 0 HD2 PHE A 106 9.057 -2.224 -9.620 1.00 41.53 H new ATOM 0 HE1 PHE A 106 7.016 1.911 -11.340 1.00 55.33 H new ATOM 0 HE2 PHE A 106 7.564 -2.313 -11.569 1.00 21.32 H new ATOM 0 HZ PHE A 106 6.539 -0.245 -12.433 1.00 1.54 H new ATOM 1752 N THR A 107 8.663 -2.205 -6.256 1.00 10.32 N ATOM 1753 CA THR A 107 7.875 -3.428 -6.025 1.00 13.14 C ATOM 1754 C THR A 107 6.758 -3.201 -4.997 1.00 4.25 C ATOM 1755 O THR A 107 5.590 -3.496 -5.259 1.00 3.42 O ATOM 1756 CB THR A 107 8.769 -4.598 -5.545 1.00 54.34 C ATOM 1757 OG1 THR A 107 9.792 -4.866 -6.516 1.00 32.21 O ATOM 1758 CG2 THR A 107 7.950 -5.866 -5.314 1.00 51.52 C ATOM 0 H THR A 107 9.668 -2.327 -6.129 1.00 10.32 H new ATOM 0 HA THR A 107 7.427 -3.688 -6.984 1.00 13.14 H new ATOM 0 HB THR A 107 9.223 -4.302 -4.599 1.00 54.34 H new ATOM 0 HG1 THR A 107 10.354 -5.606 -6.204 1.00 32.21 H new ATOM 0 HG21 THR A 107 8.608 -6.668 -4.978 1.00 51.52 H new ATOM 0 HG22 THR A 107 7.192 -5.676 -4.554 1.00 51.52 H new ATOM 0 HG23 THR A 107 7.465 -6.161 -6.245 1.00 51.52 H new ATOM 1766 N LEU A 108 7.122 -2.666 -3.832 1.00 51.12 N ATOM 1767 CA LEU A 108 6.143 -2.356 -2.784 1.00 53.30 C ATOM 1768 C LEU A 108 5.093 -1.355 -3.281 1.00 5.13 C ATOM 1769 O LEU A 108 3.903 -1.503 -3.015 1.00 21.53 O ATOM 1770 CB LEU A 108 6.851 -1.785 -1.549 1.00 61.22 C ATOM 1771 CG LEU A 108 7.821 -2.741 -0.840 1.00 72.51 C ATOM 1772 CD1 LEU A 108 8.527 -2.029 0.311 1.00 23.14 C ATOM 1773 CD2 LEU A 108 7.082 -3.981 -0.340 1.00 44.14 C ATOM 0 H LEU A 108 8.086 -2.438 -3.588 1.00 51.12 H new ATOM 0 HA LEU A 108 5.637 -3.284 -2.518 1.00 53.30 H new ATOM 0 HB2 LEU A 108 7.402 -0.893 -1.848 1.00 61.22 H new ATOM 0 HB3 LEU A 108 6.094 -1.467 -0.833 1.00 61.22 H new ATOM 0 HG LEU A 108 8.577 -3.062 -1.557 1.00 72.51 H new ATOM 0 HD11 LEU A 108 9.211 -2.721 0.802 1.00 23.14 H new ATOM 0 HD12 LEU A 108 9.088 -1.179 -0.077 1.00 23.14 H new ATOM 0 HD13 LEU A 108 7.787 -1.678 1.030 1.00 23.14 H new ATOM 0 HD21 LEU A 108 7.785 -4.647 0.160 1.00 44.14 H new ATOM 0 HD22 LEU A 108 6.304 -3.682 0.362 1.00 44.14 H new ATOM 0 HD23 LEU A 108 6.629 -4.500 -1.185 1.00 44.14 H new ATOM 1785 N ARG A 109 5.554 -0.345 -4.013 1.00 24.53 N ATOM 1786 CA ARG A 109 4.683 0.713 -4.537 1.00 44.13 C ATOM 1787 C ARG A 109 3.604 0.154 -5.484 1.00 73.05 C ATOM 1788 O ARG A 109 2.418 0.457 -5.337 1.00 3.42 O ATOM 1789 CB ARG A 109 5.537 1.755 -5.266 1.00 22.31 C ATOM 1790 CG ARG A 109 4.755 2.941 -5.814 1.00 11.54 C ATOM 1791 CD ARG A 109 5.648 3.842 -6.655 1.00 61.02 C ATOM 1792 NE ARG A 109 6.891 4.184 -5.961 1.00 32.13 N ATOM 1793 CZ ARG A 109 7.652 5.191 -6.280 1.00 25.42 C ATOM 1794 NH1 ARG A 109 7.321 5.983 -7.248 1.00 22.13 N ATOM 1795 NH2 ARG A 109 8.744 5.410 -5.624 1.00 72.43 N ATOM 0 H ARG A 109 6.537 -0.233 -4.261 1.00 24.53 H new ATOM 0 HA ARG A 109 4.166 1.176 -3.696 1.00 44.13 H new ATOM 0 HB2 ARG A 109 6.300 2.124 -4.581 1.00 22.31 H new ATOM 0 HB3 ARG A 109 6.058 1.267 -6.090 1.00 22.31 H new ATOM 0 HG2 ARG A 109 3.921 2.583 -6.418 1.00 11.54 H new ATOM 0 HG3 ARG A 109 4.329 3.513 -4.989 1.00 11.54 H new ATOM 0 HD2 ARG A 109 5.883 3.344 -7.595 1.00 61.02 H new ATOM 0 HD3 ARG A 109 5.109 4.756 -6.905 1.00 61.02 H new ATOM 0 HE ARG A 109 7.179 3.596 -5.178 1.00 32.13 H new ATOM 0 HH11 ARG A 109 6.458 5.821 -7.767 1.00 22.13 H new ATOM 0 HH12 ARG A 109 7.923 6.770 -7.492 1.00 22.13 H new ATOM 0 HH21 ARG A 109 9.010 4.794 -4.856 1.00 72.43 H new ATOM 0 HH22 ARG A 109 9.340 6.199 -5.874 1.00 72.43 H new ATOM 1809 N THR A 110 4.026 -0.655 -6.455 1.00 32.41 N ATOM 1810 CA THR A 110 3.101 -1.261 -7.425 1.00 43.11 C ATOM 1811 C THR A 110 2.076 -2.173 -6.735 1.00 63.02 C ATOM 1812 O THR A 110 0.869 -2.049 -6.958 1.00 73.03 O ATOM 1813 CB THR A 110 3.858 -2.078 -8.504 1.00 63.02 C ATOM 1814 OG1 THR A 110 4.759 -1.226 -9.226 1.00 64.54 O ATOM 1815 CG2 THR A 110 2.891 -2.732 -9.489 1.00 54.20 C ATOM 0 H THR A 110 5.004 -0.909 -6.595 1.00 32.41 H new ATOM 0 HA THR A 110 2.577 -0.435 -7.906 1.00 43.11 H new ATOM 0 HB THR A 110 4.416 -2.862 -7.992 1.00 63.02 H new ATOM 0 HG1 THR A 110 5.496 -0.957 -8.639 1.00 64.54 H new ATOM 0 HG21 THR A 110 3.455 -3.297 -10.232 1.00 54.20 H new ATOM 0 HG22 THR A 110 2.224 -3.405 -8.951 1.00 54.20 H new ATOM 0 HG23 THR A 110 2.304 -1.961 -9.988 1.00 54.20 H new ATOM 1823 N GLN A 111 2.561 -3.085 -5.891 1.00 61.23 N ATOM 1824 CA GLN A 111 1.681 -4.000 -5.151 1.00 63.54 C ATOM 1825 C GLN A 111 0.720 -3.222 -4.236 1.00 42.41 C ATOM 1826 O GLN A 111 -0.467 -3.533 -4.150 1.00 1.45 O ATOM 1827 CB GLN A 111 2.515 -4.991 -4.322 1.00 51.14 C ATOM 1828 CG GLN A 111 3.471 -5.845 -5.154 1.00 11.41 C ATOM 1829 CD GLN A 111 2.766 -6.748 -6.158 1.00 31.40 C ATOM 1830 OE1 GLN A 111 3.297 -7.049 -7.223 1.00 72.42 O ATOM 1831 NE2 GLN A 111 1.570 -7.205 -5.826 1.00 34.54 N ATOM 0 H GLN A 111 3.555 -3.212 -5.701 1.00 61.23 H new ATOM 0 HA GLN A 111 1.087 -4.557 -5.876 1.00 63.54 H new ATOM 0 HB2 GLN A 111 3.091 -4.436 -3.582 1.00 51.14 H new ATOM 0 HB3 GLN A 111 1.840 -5.648 -3.773 1.00 51.14 H new ATOM 0 HG2 GLN A 111 4.159 -5.190 -5.688 1.00 11.41 H new ATOM 0 HG3 GLN A 111 4.072 -6.460 -4.484 1.00 11.41 H new ATOM 0 HE21 GLN A 111 1.152 -6.939 -4.935 1.00 34.54 H new ATOM 0 HE22 GLN A 111 1.066 -7.823 -6.461 1.00 34.54 H new ATOM 1840 N TYR A 112 1.248 -2.204 -3.564 1.00 60.52 N ATOM 1841 CA TYR A 112 0.441 -1.327 -2.711 1.00 41.55 C ATOM 1842 C TYR A 112 -0.664 -0.636 -3.528 1.00 13.13 C ATOM 1843 O TYR A 112 -1.818 -0.569 -3.108 1.00 23.24 O ATOM 1844 CB TYR A 112 1.345 -0.272 -2.056 1.00 25.14 C ATOM 1845 CG TYR A 112 0.652 0.604 -1.026 1.00 11.43 C ATOM 1846 CD1 TYR A 112 -0.038 1.754 -1.400 1.00 44.14 C ATOM 1847 CD2 TYR A 112 0.696 0.282 0.324 1.00 32.42 C ATOM 1848 CE1 TYR A 112 -0.658 2.551 -0.460 1.00 12.12 C ATOM 1849 CE2 TYR A 112 0.076 1.075 1.267 1.00 3.40 C ATOM 1850 CZ TYR A 112 -0.599 2.207 0.873 1.00 34.14 C ATOM 1851 OH TYR A 112 -1.215 2.999 1.814 1.00 34.45 O ATOM 0 H TYR A 112 2.238 -1.962 -3.592 1.00 60.52 H new ATOM 0 HA TYR A 112 -0.033 -1.932 -1.938 1.00 41.55 H new ATOM 0 HB2 TYR A 112 2.184 -0.778 -1.578 1.00 25.14 H new ATOM 0 HB3 TYR A 112 1.760 0.366 -2.836 1.00 25.14 H new ATOM 0 HD1 TYR A 112 -0.089 2.027 -2.444 1.00 44.14 H new ATOM 0 HD2 TYR A 112 1.225 -0.605 0.641 1.00 32.42 H new ATOM 0 HE1 TYR A 112 -1.187 3.441 -0.768 1.00 12.12 H new ATOM 0 HE2 TYR A 112 0.120 0.808 2.312 1.00 3.40 H new ATOM 0 HH TYR A 112 -1.529 3.825 1.391 1.00 34.45 H new ATOM 1861 N MET A 113 -0.292 -0.139 -4.703 1.00 13.14 N ATOM 1862 CA MET A 113 -1.210 0.600 -5.575 1.00 23.51 C ATOM 1863 C MET A 113 -2.393 -0.264 -6.041 1.00 52.34 C ATOM 1864 O MET A 113 -3.511 0.230 -6.205 1.00 52.43 O ATOM 1865 CB MET A 113 -0.442 1.136 -6.787 1.00 43.52 C ATOM 1866 CG MET A 113 -1.236 2.105 -7.652 1.00 12.44 C ATOM 1867 SD MET A 113 -0.280 2.707 -9.059 1.00 64.12 S ATOM 1868 CE MET A 113 1.171 3.345 -8.227 1.00 43.11 C ATOM 0 H MET A 113 0.651 -0.234 -5.081 1.00 13.14 H new ATOM 0 HA MET A 113 -1.624 1.427 -4.998 1.00 23.51 H new ATOM 0 HB2 MET A 113 0.462 1.635 -6.438 1.00 43.52 H new ATOM 0 HB3 MET A 113 -0.124 0.294 -7.402 1.00 43.52 H new ATOM 0 HG2 MET A 113 -2.138 1.611 -8.013 1.00 12.44 H new ATOM 0 HG3 MET A 113 -1.557 2.951 -7.045 1.00 12.44 H new ATOM 0 HE1 MET A 113 1.830 3.818 -8.955 1.00 43.11 H new ATOM 0 HE2 MET A 113 0.869 4.080 -7.481 1.00 43.11 H new ATOM 0 HE3 MET A 113 1.699 2.527 -7.738 1.00 43.11 H new ATOM 1878 N LYS A 114 -2.143 -1.551 -6.251 1.00 43.13 N ATOM 1879 CA LYS A 114 -3.183 -2.475 -6.721 1.00 54.53 C ATOM 1880 C LYS A 114 -4.134 -2.914 -5.592 1.00 21.31 C ATOM 1881 O LYS A 114 -5.342 -3.040 -5.803 1.00 4.12 O ATOM 1882 CB LYS A 114 -2.535 -3.712 -7.353 1.00 34.54 C ATOM 1883 CG LYS A 114 -1.703 -3.416 -8.598 1.00 33.52 C ATOM 1884 CD LYS A 114 -1.003 -4.670 -9.122 1.00 4.53 C ATOM 1885 CE LYS A 114 -1.993 -5.782 -9.457 1.00 51.43 C ATOM 1886 NZ LYS A 114 -1.303 -7.013 -9.920 1.00 4.32 N ATOM 0 H LYS A 114 -1.231 -1.984 -6.105 1.00 43.13 H new ATOM 0 HA LYS A 114 -3.777 -1.940 -7.462 1.00 54.53 H new ATOM 0 HB2 LYS A 114 -1.899 -4.194 -6.611 1.00 34.54 H new ATOM 0 HB3 LYS A 114 -3.317 -4.425 -7.614 1.00 34.54 H new ATOM 0 HG2 LYS A 114 -2.346 -3.006 -9.377 1.00 33.52 H new ATOM 0 HG3 LYS A 114 -0.959 -2.654 -8.366 1.00 33.52 H new ATOM 0 HD2 LYS A 114 -0.427 -4.418 -10.012 1.00 4.53 H new ATOM 0 HD3 LYS A 114 -0.295 -5.028 -8.375 1.00 4.53 H new ATOM 0 HE2 LYS A 114 -2.594 -6.011 -8.577 1.00 51.43 H new ATOM 0 HE3 LYS A 114 -2.679 -5.437 -10.230 1.00 51.43 H new ATOM 0 HZ1 LYS A 114 -2.009 -7.745 -10.138 1.00 4.32 H new ATOM 0 HZ2 LYS A 114 -0.750 -6.800 -10.774 1.00 4.32 H new ATOM 0 HZ3 LYS A 114 -0.667 -7.357 -9.172 1.00 4.32 H new ATOM 1900 N TYR A 115 -3.584 -3.154 -4.400 1.00 61.12 N ATOM 1901 CA TYR A 115 -4.367 -3.712 -3.283 1.00 12.14 C ATOM 1902 C TYR A 115 -4.810 -2.640 -2.263 1.00 21.25 C ATOM 1903 O TYR A 115 -5.988 -2.532 -1.935 1.00 44.30 O ATOM 1904 CB TYR A 115 -3.539 -4.786 -2.548 1.00 41.44 C ATOM 1905 CG TYR A 115 -3.151 -5.987 -3.401 1.00 13.05 C ATOM 1906 CD1 TYR A 115 -2.326 -5.841 -4.512 1.00 32.33 C ATOM 1907 CD2 TYR A 115 -3.601 -7.268 -3.089 1.00 22.22 C ATOM 1908 CE1 TYR A 115 -1.963 -6.926 -5.284 1.00 64.32 C ATOM 1909 CE2 TYR A 115 -3.237 -8.359 -3.857 1.00 32.21 C ATOM 1910 CZ TYR A 115 -2.418 -8.182 -4.953 1.00 71.55 C ATOM 1911 OH TYR A 115 -2.052 -9.264 -5.724 1.00 1.02 O ATOM 0 H TYR A 115 -2.605 -2.974 -4.179 1.00 61.12 H new ATOM 0 HA TYR A 115 -5.267 -4.145 -3.719 1.00 12.14 H new ATOM 0 HB2 TYR A 115 -2.631 -4.323 -2.162 1.00 41.44 H new ATOM 0 HB3 TYR A 115 -4.108 -5.138 -1.687 1.00 41.44 H new ATOM 0 HD1 TYR A 115 -1.962 -4.859 -4.776 1.00 32.33 H new ATOM 0 HD2 TYR A 115 -4.244 -7.411 -2.234 1.00 22.22 H new ATOM 0 HE1 TYR A 115 -1.324 -6.790 -6.144 1.00 64.32 H new ATOM 0 HE2 TYR A 115 -3.593 -9.346 -3.600 1.00 32.21 H new ATOM 0 HH TYR A 115 -2.065 -10.076 -5.175 1.00 1.02 H new ATOM 1921 N LEU A 116 -3.859 -1.836 -1.787 1.00 33.03 N ATOM 1922 CA LEU A 116 -4.080 -0.969 -0.613 1.00 42.24 C ATOM 1923 C LEU A 116 -4.405 0.493 -0.975 1.00 5.42 C ATOM 1924 O LEU A 116 -5.109 1.176 -0.229 1.00 41.12 O ATOM 1925 CB LEU A 116 -2.839 -1.020 0.287 1.00 45.30 C ATOM 1926 CG LEU A 116 -2.474 -2.424 0.804 1.00 63.20 C ATOM 1927 CD1 LEU A 116 -1.122 -2.412 1.508 1.00 43.24 C ATOM 1928 CD2 LEU A 116 -3.561 -2.951 1.739 1.00 10.23 C ATOM 0 H LEU A 116 -2.926 -1.762 -2.191 1.00 33.03 H new ATOM 0 HA LEU A 116 -4.957 -1.354 -0.093 1.00 42.24 H new ATOM 0 HB2 LEU A 116 -1.989 -0.620 -0.266 1.00 45.30 H new ATOM 0 HB3 LEU A 116 -3.000 -0.364 1.142 1.00 45.30 H new ATOM 0 HG LEU A 116 -2.402 -3.092 -0.054 1.00 63.20 H new ATOM 0 HD11 LEU A 116 -0.888 -3.415 1.864 1.00 43.24 H new ATOM 0 HD12 LEU A 116 -0.351 -2.085 0.810 1.00 43.24 H new ATOM 0 HD13 LEU A 116 -1.159 -1.727 2.355 1.00 43.24 H new ATOM 0 HD21 LEU A 116 -3.285 -3.944 2.094 1.00 10.23 H new ATOM 0 HD22 LEU A 116 -3.667 -2.278 2.590 1.00 10.23 H new ATOM 0 HD23 LEU A 116 -4.507 -3.008 1.201 1.00 10.23 H new ATOM 1940 N TYR A 117 -3.907 0.967 -2.117 1.00 71.25 N ATOM 1941 CA TYR A 117 -4.107 2.370 -2.525 1.00 53.25 C ATOM 1942 C TYR A 117 -5.599 2.762 -2.590 1.00 51.14 C ATOM 1943 O TYR A 117 -5.986 3.805 -2.059 1.00 20.22 O ATOM 1944 CB TYR A 117 -3.431 2.658 -3.876 1.00 74.10 C ATOM 1945 CG TYR A 117 -3.782 4.020 -4.451 1.00 3.03 C ATOM 1946 CD1 TYR A 117 -3.170 5.177 -3.979 1.00 13.30 C ATOM 1947 CD2 TYR A 117 -4.741 4.148 -5.453 1.00 35.40 C ATOM 1948 CE1 TYR A 117 -3.502 6.417 -4.490 1.00 41.04 C ATOM 1949 CE2 TYR A 117 -5.078 5.385 -5.963 1.00 60.22 C ATOM 1950 CZ TYR A 117 -4.458 6.514 -5.479 1.00 22.34 C ATOM 1951 OH TYR A 117 -4.795 7.743 -5.987 1.00 15.14 O ATOM 0 H TYR A 117 -3.365 0.409 -2.777 1.00 71.25 H new ATOM 0 HA TYR A 117 -3.638 2.981 -1.754 1.00 53.25 H new ATOM 0 HB2 TYR A 117 -2.350 2.592 -3.754 1.00 74.10 H new ATOM 0 HB3 TYR A 117 -3.719 1.886 -4.589 1.00 74.10 H new ATOM 0 HD1 TYR A 117 -2.424 5.105 -3.201 1.00 13.30 H new ATOM 0 HD2 TYR A 117 -5.229 3.264 -5.837 1.00 35.40 H new ATOM 0 HE1 TYR A 117 -3.015 7.306 -4.117 1.00 41.04 H new ATOM 0 HE2 TYR A 117 -5.825 5.467 -6.739 1.00 60.22 H new ATOM 0 HH TYR A 117 -3.997 8.311 -6.025 1.00 15.14 H new ATOM 1961 N PRO A 118 -6.470 1.953 -3.242 1.00 43.50 N ATOM 1962 CA PRO A 118 -7.911 2.253 -3.295 1.00 73.15 C ATOM 1963 C PRO A 118 -8.512 2.452 -1.893 1.00 33.31 C ATOM 1964 O PRO A 118 -9.468 3.208 -1.715 1.00 62.33 O ATOM 1965 CB PRO A 118 -8.524 1.017 -3.987 1.00 51.42 C ATOM 1966 CG PRO A 118 -7.459 -0.032 -3.945 1.00 64.02 C ATOM 1967 CD PRO A 118 -6.151 0.710 -3.973 1.00 23.44 C ATOM 0 HA PRO A 118 -8.114 3.183 -3.826 1.00 73.15 H new ATOM 0 HB2 PRO A 118 -9.424 0.684 -3.470 1.00 51.42 H new ATOM 0 HB3 PRO A 118 -8.811 1.244 -5.014 1.00 51.42 H new ATOM 0 HG2 PRO A 118 -7.544 -0.640 -3.044 1.00 64.02 H new ATOM 0 HG3 PRO A 118 -7.543 -0.709 -4.795 1.00 64.02 H new ATOM 0 HD2 PRO A 118 -5.355 0.147 -3.486 1.00 23.44 H new ATOM 0 HD3 PRO A 118 -5.821 0.912 -4.992 1.00 23.44 H new ATOM 1975 N TYR A 119 -7.921 1.796 -0.896 1.00 14.45 N ATOM 1976 CA TYR A 119 -8.414 1.868 0.478 1.00 61.35 C ATOM 1977 C TYR A 119 -8.081 3.231 1.118 1.00 33.02 C ATOM 1978 O TYR A 119 -8.955 3.878 1.702 1.00 43.30 O ATOM 1979 CB TYR A 119 -7.829 0.718 1.312 1.00 75.30 C ATOM 1980 CG TYR A 119 -8.738 0.276 2.442 1.00 51.20 C ATOM 1981 CD1 TYR A 119 -9.841 -0.527 2.181 1.00 13.55 C ATOM 1982 CD2 TYR A 119 -8.505 0.662 3.757 1.00 31.23 C ATOM 1983 CE1 TYR A 119 -10.683 -0.934 3.194 1.00 2.21 C ATOM 1984 CE2 TYR A 119 -9.346 0.261 4.776 1.00 1.40 C ATOM 1985 CZ TYR A 119 -10.431 -0.538 4.490 1.00 54.34 C ATOM 1986 OH TYR A 119 -11.279 -0.933 5.499 1.00 42.31 O ATOM 0 H TYR A 119 -7.097 1.207 -1.015 1.00 14.45 H new ATOM 0 HA TYR A 119 -9.499 1.768 0.457 1.00 61.35 H new ATOM 0 HB2 TYR A 119 -7.633 -0.132 0.659 1.00 75.30 H new ATOM 0 HB3 TYR A 119 -6.870 1.030 1.727 1.00 75.30 H new ATOM 0 HD1 TYR A 119 -10.043 -0.838 1.167 1.00 13.55 H new ATOM 0 HD2 TYR A 119 -7.653 1.285 3.985 1.00 31.23 H new ATOM 0 HE1 TYR A 119 -11.535 -1.560 2.973 1.00 2.21 H new ATOM 0 HE2 TYR A 119 -9.154 0.572 5.792 1.00 1.40 H new ATOM 0 HH TYR A 119 -12.017 -1.456 5.121 1.00 42.31 H new ATOM 1996 N GLU A 120 -6.826 3.678 0.992 1.00 63.20 N ATOM 1997 CA GLU A 120 -6.419 4.979 1.549 1.00 71.14 C ATOM 1998 C GLU A 120 -7.119 6.133 0.818 1.00 11.32 C ATOM 1999 O GLU A 120 -7.495 7.133 1.433 1.00 13.35 O ATOM 2000 CB GLU A 120 -4.894 5.182 1.483 1.00 4.35 C ATOM 2001 CG GLU A 120 -4.347 5.391 0.070 1.00 64.10 C ATOM 2002 CD GLU A 120 -2.947 5.990 0.059 1.00 73.52 C ATOM 2003 OE1 GLU A 120 -1.978 5.242 0.274 1.00 3.23 O ATOM 2004 OE2 GLU A 120 -2.816 7.214 -0.165 1.00 13.44 O ATOM 0 H GLU A 120 -6.082 3.168 0.516 1.00 63.20 H new ATOM 0 HA GLU A 120 -6.720 4.979 2.597 1.00 71.14 H new ATOM 0 HB2 GLU A 120 -4.627 6.044 2.094 1.00 4.35 H new ATOM 0 HB3 GLU A 120 -4.404 4.314 1.925 1.00 4.35 H new ATOM 0 HG2 GLU A 120 -4.332 4.435 -0.453 1.00 64.10 H new ATOM 0 HG3 GLU A 120 -5.021 6.046 -0.482 1.00 64.10 H new ATOM 2011 N CYS A 121 -7.291 5.988 -0.497 1.00 62.40 N ATOM 2012 CA CYS A 121 -7.962 7.010 -1.312 1.00 30.44 C ATOM 2013 C CYS A 121 -9.442 7.147 -0.929 1.00 63.20 C ATOM 2014 O CYS A 121 -10.008 8.239 -0.979 1.00 23.14 O ATOM 2015 CB CYS A 121 -7.839 6.674 -2.806 1.00 42.02 C ATOM 2016 SG CYS A 121 -8.560 7.915 -3.911 1.00 54.21 S ATOM 0 H CYS A 121 -6.976 5.173 -1.023 1.00 62.40 H new ATOM 0 HA CYS A 121 -7.469 7.962 -1.118 1.00 30.44 H new ATOM 0 HB2 CYS A 121 -6.784 6.553 -3.054 1.00 42.02 H new ATOM 0 HB3 CYS A 121 -8.322 5.715 -2.992 1.00 42.02 H new ATOM 0 HG CYS A 121 -7.875 9.017 -3.832 1.00 54.21 H new ATOM 2022 N GLU A 122 -10.063 6.035 -0.534 1.00 50.44 N ATOM 2023 CA GLU A 122 -11.481 6.031 -0.154 1.00 23.11 C ATOM 2024 C GLU A 122 -11.684 6.295 1.351 1.00 13.11 C ATOM 2025 O GLU A 122 -12.189 7.351 1.742 1.00 71.44 O ATOM 2026 CB GLU A 122 -12.120 4.689 -0.535 1.00 64.44 C ATOM 2027 CG GLU A 122 -13.602 4.583 -0.186 1.00 41.32 C ATOM 2028 CD GLU A 122 -14.439 5.673 -0.835 1.00 52.41 C ATOM 2029 OE1 GLU A 122 -14.657 5.606 -2.064 1.00 25.50 O ATOM 2030 OE2 GLU A 122 -14.880 6.605 -0.123 1.00 25.41 O ATOM 0 H GLU A 122 -9.609 5.124 -0.468 1.00 50.44 H new ATOM 0 HA GLU A 122 -11.965 6.843 -0.698 1.00 23.11 H new ATOM 0 HB2 GLU A 122 -11.998 4.532 -1.607 1.00 64.44 H new ATOM 0 HB3 GLU A 122 -11.581 3.886 -0.032 1.00 64.44 H new ATOM 0 HG2 GLU A 122 -13.976 3.609 -0.500 1.00 41.32 H new ATOM 0 HG3 GLU A 122 -13.720 4.636 0.896 1.00 41.32 H new ATOM 2037 N LYS A 123 -11.274 5.336 2.184 1.00 63.54 N ATOM 2038 CA LYS A 123 -11.537 5.389 3.633 1.00 74.41 C ATOM 2039 C LYS A 123 -10.859 6.589 4.316 1.00 21.21 C ATOM 2040 O LYS A 123 -11.370 7.119 5.305 1.00 4.21 O ATOM 2041 CB LYS A 123 -11.069 4.087 4.309 1.00 25.42 C ATOM 2042 CG LYS A 123 -11.873 2.845 3.924 1.00 12.13 C ATOM 2043 CD LYS A 123 -13.332 2.954 4.366 1.00 72.33 C ATOM 2044 CE LYS A 123 -14.100 1.657 4.126 1.00 23.45 C ATOM 2045 NZ LYS A 123 -13.591 0.538 4.968 1.00 53.24 N ATOM 0 H LYS A 123 -10.757 4.510 1.884 1.00 63.54 H new ATOM 0 HA LYS A 123 -12.614 5.507 3.750 1.00 74.41 H new ATOM 0 HB2 LYS A 123 -10.022 3.918 4.057 1.00 25.42 H new ATOM 0 HB3 LYS A 123 -11.120 4.216 5.390 1.00 25.42 H new ATOM 0 HG2 LYS A 123 -11.830 2.704 2.844 1.00 12.13 H new ATOM 0 HG3 LYS A 123 -11.420 1.964 4.378 1.00 12.13 H new ATOM 0 HD2 LYS A 123 -13.372 3.208 5.425 1.00 72.33 H new ATOM 0 HD3 LYS A 123 -13.815 3.767 3.824 1.00 72.33 H new ATOM 0 HE2 LYS A 123 -15.157 1.818 4.339 1.00 23.45 H new ATOM 0 HE3 LYS A 123 -14.025 1.381 3.074 1.00 23.45 H new ATOM 0 HZ1 LYS A 123 -14.008 -0.358 4.644 1.00 53.24 H new ATOM 0 HZ2 LYS A 123 -12.555 0.486 4.888 1.00 53.24 H new ATOM 0 HZ3 LYS A 123 -13.854 0.703 5.961 1.00 53.24 H new ATOM 2059 N ARG A 124 -9.705 7.006 3.804 1.00 61.30 N ATOM 2060 CA ARG A 124 -8.954 8.119 4.406 1.00 72.24 C ATOM 2061 C ARG A 124 -8.973 9.383 3.522 1.00 22.12 C ATOM 2062 O ARG A 124 -9.060 10.501 4.029 1.00 14.23 O ATOM 2063 CB ARG A 124 -7.504 7.690 4.677 1.00 12.02 C ATOM 2064 CG ARG A 124 -7.351 6.528 5.663 1.00 74.35 C ATOM 2065 CD ARG A 124 -7.756 6.905 7.092 1.00 23.53 C ATOM 2066 NE ARG A 124 -9.202 7.079 7.240 1.00 70.05 N ATOM 2067 CZ ARG A 124 -9.774 7.720 8.222 1.00 65.32 C ATOM 2068 NH1 ARG A 124 -9.072 8.225 9.188 1.00 31.35 N ATOM 2069 NH2 ARG A 124 -11.061 7.844 8.236 1.00 43.33 N ATOM 0 H ARG A 124 -9.266 6.597 2.979 1.00 61.30 H new ATOM 0 HA ARG A 124 -9.445 8.371 5.346 1.00 72.24 H new ATOM 0 HB2 ARG A 124 -7.040 7.409 3.731 1.00 12.02 H new ATOM 0 HB3 ARG A 124 -6.952 8.548 5.060 1.00 12.02 H new ATOM 0 HG2 ARG A 124 -7.961 5.689 5.327 1.00 74.35 H new ATOM 0 HG3 ARG A 124 -6.315 6.190 5.661 1.00 74.35 H new ATOM 0 HD2 ARG A 124 -7.415 6.130 7.779 1.00 23.53 H new ATOM 0 HD3 ARG A 124 -7.252 7.828 7.377 1.00 23.53 H new ATOM 0 HE ARG A 124 -9.804 6.671 6.525 1.00 70.05 H new ATOM 0 HH11 ARG A 124 -8.057 8.124 9.188 1.00 31.35 H new ATOM 0 HH12 ARG A 124 -9.535 8.723 9.948 1.00 31.35 H new ATOM 0 HH21 ARG A 124 -11.620 7.442 7.483 1.00 43.33 H new ATOM 0 HH22 ARG A 124 -11.517 8.343 9.000 1.00 43.33 H new ATOM 2083 N GLY A 125 -8.910 9.199 2.202 1.00 42.02 N ATOM 2084 CA GLY A 125 -8.835 10.335 1.280 1.00 13.54 C ATOM 2085 C GLY A 125 -7.473 11.023 1.302 1.00 71.20 C ATOM 2086 O GLY A 125 -7.376 12.243 1.153 1.00 60.35 O ATOM 0 H GLY A 125 -8.909 8.284 1.750 1.00 42.02 H new ATOM 0 HA2 GLY A 125 -9.047 9.991 0.268 1.00 13.54 H new ATOM 0 HA3 GLY A 125 -9.607 11.059 1.539 1.00 13.54 H new ATOM 2090 N LEU A 126 -6.415 10.230 1.470 1.00 73.53 N ATOM 2091 CA LEU A 126 -5.053 10.761 1.623 1.00 41.42 C ATOM 2092 C LEU A 126 -4.491 11.342 0.317 1.00 25.01 C ATOM 2093 O LEU A 126 -3.767 12.342 0.338 1.00 54.25 O ATOM 2094 CB LEU A 126 -4.110 9.663 2.136 1.00 72.14 C ATOM 2095 CG LEU A 126 -4.485 9.055 3.496 1.00 14.22 C ATOM 2096 CD1 LEU A 126 -3.497 7.962 3.889 1.00 72.30 C ATOM 2097 CD2 LEU A 126 -4.556 10.135 4.577 1.00 12.31 C ATOM 0 H LEU A 126 -6.472 9.212 1.504 1.00 73.53 H new ATOM 0 HA LEU A 126 -5.115 11.574 2.346 1.00 41.42 H new ATOM 0 HB2 LEU A 126 -4.075 8.863 1.397 1.00 72.14 H new ATOM 0 HB3 LEU A 126 -3.104 10.076 2.207 1.00 72.14 H new ATOM 0 HG LEU A 126 -5.473 8.605 3.404 1.00 14.22 H new ATOM 0 HD11 LEU A 126 -3.781 7.545 4.855 1.00 72.30 H new ATOM 0 HD12 LEU A 126 -3.508 7.174 3.136 1.00 72.30 H new ATOM 0 HD13 LEU A 126 -2.495 8.385 3.957 1.00 72.30 H new ATOM 0 HD21 LEU A 126 -4.823 9.679 5.530 1.00 12.31 H new ATOM 0 HD22 LEU A 126 -3.586 10.623 4.668 1.00 12.31 H new ATOM 0 HD23 LEU A 126 -5.310 10.874 4.304 1.00 12.31 H new ATOM 2109 N SER A 127 -4.818 10.717 -0.813 1.00 22.12 N ATOM 2110 CA SER A 127 -4.248 11.117 -2.110 1.00 4.22 C ATOM 2111 C SER A 127 -5.254 10.974 -3.262 1.00 71.02 C ATOM 2112 O SER A 127 -6.328 10.386 -3.105 1.00 50.00 O ATOM 2113 CB SER A 127 -3.004 10.274 -2.413 1.00 31.54 C ATOM 2114 OG SER A 127 -3.325 8.895 -2.527 1.00 5.04 O ATOM 0 H SER A 127 -5.471 9.935 -0.863 1.00 22.12 H new ATOM 0 HA SER A 127 -3.982 12.171 -2.033 1.00 4.22 H new ATOM 0 HB2 SER A 127 -2.546 10.620 -3.340 1.00 31.54 H new ATOM 0 HB3 SER A 127 -2.267 10.413 -1.622 1.00 31.54 H new ATOM 0 HG SER A 127 -3.113 8.439 -1.686 1.00 5.04 H new ATOM 2120 N ASN A 128 -4.899 11.535 -4.421 1.00 12.44 N ATOM 2121 CA ASN A 128 -5.734 11.449 -5.628 1.00 22.52 C ATOM 2122 C ASN A 128 -4.999 10.698 -6.752 1.00 32.00 C ATOM 2123 O ASN A 128 -3.774 10.785 -6.863 1.00 10.23 O ATOM 2124 CB ASN A 128 -6.102 12.852 -6.129 1.00 12.04 C ATOM 2125 CG ASN A 128 -6.641 13.748 -5.034 1.00 21.34 C ATOM 2126 OD1 ASN A 128 -7.835 13.766 -4.754 1.00 31.41 O ATOM 2127 ND2 ASN A 128 -5.764 14.516 -4.420 1.00 43.22 N ATOM 0 H ASN A 128 -4.033 12.058 -4.552 1.00 12.44 H new ATOM 0 HA ASN A 128 -6.640 10.904 -5.363 1.00 22.52 H new ATOM 0 HB2 ASN A 128 -5.221 13.317 -6.571 1.00 12.04 H new ATOM 0 HB3 ASN A 128 -6.847 12.766 -6.920 1.00 12.04 H new ATOM 0 HD21 ASN A 128 -6.070 15.153 -3.685 1.00 43.22 H new ATOM 0 HD22 ASN A 128 -4.779 14.474 -4.680 1.00 43.22 H new ATOM 2134 N PRO A 129 -5.738 9.982 -7.628 1.00 75.41 N ATOM 2135 CA PRO A 129 -5.134 9.221 -8.744 1.00 71.32 C ATOM 2136 C PRO A 129 -4.350 10.107 -9.732 1.00 22.04 C ATOM 2137 O PRO A 129 -3.478 9.624 -10.458 1.00 61.32 O ATOM 2138 CB PRO A 129 -6.348 8.575 -9.439 1.00 2.31 C ATOM 2139 CG PRO A 129 -7.522 9.391 -9.005 1.00 13.03 C ATOM 2140 CD PRO A 129 -7.209 9.850 -7.607 1.00 42.43 C ATOM 0 HA PRO A 129 -4.398 8.503 -8.382 1.00 71.32 H new ATOM 0 HB2 PRO A 129 -6.236 8.590 -10.523 1.00 2.31 H new ATOM 0 HB3 PRO A 129 -6.462 7.532 -9.145 1.00 2.31 H new ATOM 0 HG2 PRO A 129 -7.675 10.241 -9.670 1.00 13.03 H new ATOM 0 HG3 PRO A 129 -8.438 8.800 -9.027 1.00 13.03 H new ATOM 0 HD2 PRO A 129 -7.697 10.796 -7.373 1.00 42.43 H new ATOM 0 HD3 PRO A 129 -7.540 9.128 -6.861 1.00 42.43 H new ATOM 2148 N ASN A 130 -4.659 11.404 -9.759 1.00 24.31 N ATOM 2149 CA ASN A 130 -3.975 12.338 -10.663 1.00 65.22 C ATOM 2150 C ASN A 130 -2.597 12.753 -10.120 1.00 71.14 C ATOM 2151 O ASN A 130 -1.592 12.649 -10.830 1.00 33.55 O ATOM 2152 CB ASN A 130 -4.842 13.576 -10.930 1.00 24.21 C ATOM 2153 CG ASN A 130 -6.087 13.240 -11.727 1.00 2.05 C ATOM 2154 OD1 ASN A 130 -6.048 13.158 -12.950 1.00 1.15 O ATOM 2155 ND2 ASN A 130 -7.204 13.069 -11.053 1.00 2.15 N ATOM 0 H ASN A 130 -5.373 11.833 -9.170 1.00 24.31 H new ATOM 0 HA ASN A 130 -3.815 11.815 -11.606 1.00 65.22 H new ATOM 0 HB2 ASN A 130 -5.131 14.027 -9.981 1.00 24.21 H new ATOM 0 HB3 ASN A 130 -4.256 14.319 -11.471 1.00 24.21 H new ATOM 0 HD21 ASN A 130 -8.072 12.861 -11.548 1.00 2.15 H new ATOM 0 HD22 ASN A 130 -7.202 13.144 -10.036 1.00 2.15 H new ATOM 2162 N GLU A 131 -2.546 13.216 -8.867 1.00 11.03 N ATOM 2163 CA GLU A 131 -1.268 13.595 -8.243 1.00 74.00 C ATOM 2164 C GLU A 131 -0.316 12.386 -8.182 1.00 22.43 C ATOM 2165 O GLU A 131 0.905 12.531 -8.301 1.00 62.22 O ATOM 2166 CB GLU A 131 -1.497 14.171 -6.832 1.00 33.14 C ATOM 2167 CG GLU A 131 -1.919 13.141 -5.790 1.00 72.23 C ATOM 2168 CD GLU A 131 -2.055 13.738 -4.397 1.00 62.11 C ATOM 2169 OE1 GLU A 131 -1.032 14.138 -3.812 1.00 4.51 O ATOM 2170 OE2 GLU A 131 -3.190 13.827 -3.892 1.00 30.43 O ATOM 0 H GLU A 131 -3.363 13.338 -8.268 1.00 11.03 H new ATOM 0 HA GLU A 131 -0.807 14.368 -8.857 1.00 74.00 H new ATOM 0 HB2 GLU A 131 -0.579 14.653 -6.497 1.00 33.14 H new ATOM 0 HB3 GLU A 131 -2.262 14.946 -6.889 1.00 33.14 H new ATOM 0 HG2 GLU A 131 -2.870 12.699 -6.086 1.00 72.23 H new ATOM 0 HG3 GLU A 131 -1.187 12.334 -5.765 1.00 72.23 H new ATOM 2177 N LEU A 132 -0.897 11.197 -8.003 1.00 31.10 N ATOM 2178 CA LEU A 132 -0.144 9.937 -8.000 1.00 42.10 C ATOM 2179 C LEU A 132 0.679 9.767 -9.289 1.00 75.44 C ATOM 2180 O LEU A 132 1.883 9.509 -9.242 1.00 61.43 O ATOM 2181 CB LEU A 132 -1.115 8.756 -7.843 1.00 20.34 C ATOM 2182 CG LEU A 132 -0.471 7.357 -7.845 1.00 35.03 C ATOM 2183 CD1 LEU A 132 0.474 7.192 -6.657 1.00 44.22 C ATOM 2184 CD2 LEU A 132 -1.545 6.270 -7.841 1.00 61.31 C ATOM 0 H LEU A 132 -1.899 11.079 -7.856 1.00 31.10 H new ATOM 0 HA LEU A 132 0.550 9.960 -7.160 1.00 42.10 H new ATOM 0 HB2 LEU A 132 -1.663 8.882 -6.909 1.00 20.34 H new ATOM 0 HB3 LEU A 132 -1.846 8.801 -8.650 1.00 20.34 H new ATOM 0 HG LEU A 132 0.115 7.253 -8.758 1.00 35.03 H new ATOM 0 HD11 LEU A 132 0.917 6.196 -6.680 1.00 44.22 H new ATOM 0 HD12 LEU A 132 1.263 7.941 -6.713 1.00 44.22 H new ATOM 0 HD13 LEU A 132 -0.083 7.320 -5.729 1.00 44.22 H new ATOM 0 HD21 LEU A 132 -1.070 5.289 -7.843 1.00 61.31 H new ATOM 0 HD22 LEU A 132 -2.163 6.372 -6.949 1.00 61.31 H new ATOM 0 HD23 LEU A 132 -2.169 6.372 -8.729 1.00 61.31 H new ATOM 2196 N GLN A 133 0.017 9.916 -10.437 1.00 12.51 N ATOM 2197 CA GLN A 133 0.670 9.752 -11.743 1.00 14.12 C ATOM 2198 C GLN A 133 1.879 10.694 -11.897 1.00 2.54 C ATOM 2199 O GLN A 133 2.929 10.296 -12.413 1.00 71.31 O ATOM 2200 CB GLN A 133 -0.345 10.003 -12.868 1.00 31.52 C ATOM 2201 CG GLN A 133 0.195 9.730 -14.269 1.00 52.33 C ATOM 2202 CD GLN A 133 0.674 8.296 -14.449 1.00 23.34 C ATOM 2203 OE1 GLN A 133 -0.096 7.408 -14.807 1.00 4.55 O ATOM 2204 NE2 GLN A 133 1.949 8.054 -14.212 1.00 2.34 N ATOM 0 H GLN A 133 -0.974 10.151 -10.492 1.00 12.51 H new ATOM 0 HA GLN A 133 1.040 8.729 -11.808 1.00 14.12 H new ATOM 0 HB2 GLN A 133 -1.220 9.376 -12.699 1.00 31.52 H new ATOM 0 HB3 GLN A 133 -0.680 11.039 -12.815 1.00 31.52 H new ATOM 0 HG2 GLN A 133 -0.584 9.942 -15.001 1.00 52.33 H new ATOM 0 HG3 GLN A 133 1.020 10.412 -14.474 1.00 52.33 H new ATOM 0 HE21 GLN A 133 2.565 8.811 -13.916 1.00 2.34 H new ATOM 0 HE22 GLN A 133 2.318 7.110 -14.325 1.00 2.34 H new ATOM 2213 N ALA A 134 1.727 11.938 -11.441 1.00 53.21 N ATOM 2214 CA ALA A 134 2.814 12.925 -11.484 1.00 14.04 C ATOM 2215 C ALA A 134 3.999 12.489 -10.604 1.00 41.22 C ATOM 2216 O ALA A 134 5.157 12.555 -11.022 1.00 2.02 O ATOM 2217 CB ALA A 134 2.296 14.291 -11.045 1.00 32.03 C ATOM 0 H ALA A 134 0.860 12.290 -11.036 1.00 53.21 H new ATOM 0 HA ALA A 134 3.172 12.994 -12.511 1.00 14.04 H new ATOM 0 HB1 ALA A 134 3.109 15.017 -11.080 1.00 32.03 H new ATOM 0 HB2 ALA A 134 1.496 14.609 -11.714 1.00 32.03 H new ATOM 0 HB3 ALA A 134 1.912 14.225 -10.027 1.00 32.03 H new ATOM 2223 N ALA A 135 3.692 12.031 -9.387 1.00 63.32 N ATOM 2224 CA ALA A 135 4.715 11.531 -8.456 1.00 63.03 C ATOM 2225 C ALA A 135 5.554 10.410 -9.089 1.00 11.41 C ATOM 2226 O ALA A 135 6.787 10.425 -9.045 1.00 11.13 O ATOM 2227 CB ALA A 135 4.049 11.022 -7.183 1.00 53.30 C ATOM 0 H ALA A 135 2.741 11.995 -9.020 1.00 63.32 H new ATOM 0 HA ALA A 135 5.385 12.357 -8.217 1.00 63.03 H new ATOM 0 HB1 ALA A 135 4.811 10.653 -6.496 1.00 53.30 H new ATOM 0 HB2 ALA A 135 3.498 11.835 -6.710 1.00 53.30 H new ATOM 0 HB3 ALA A 135 3.361 10.214 -7.431 1.00 53.30 H new ATOM 2233 N ILE A 136 4.864 9.440 -9.682 1.00 42.44 N ATOM 2234 CA ILE A 136 5.510 8.297 -10.334 1.00 71.34 C ATOM 2235 C ILE A 136 6.332 8.730 -11.555 1.00 22.14 C ATOM 2236 O ILE A 136 7.435 8.230 -11.784 1.00 72.41 O ATOM 2237 CB ILE A 136 4.448 7.259 -10.764 1.00 10.53 C ATOM 2238 CG1 ILE A 136 3.600 6.853 -9.549 1.00 72.43 C ATOM 2239 CG2 ILE A 136 5.105 6.033 -11.402 1.00 21.12 C ATOM 2240 CD1 ILE A 136 2.316 6.146 -9.911 1.00 63.51 C ATOM 0 H ILE A 136 3.845 9.421 -9.726 1.00 42.44 H new ATOM 0 HA ILE A 136 6.191 7.848 -9.611 1.00 71.34 H new ATOM 0 HB ILE A 136 3.799 7.712 -11.514 1.00 10.53 H new ATOM 0 HG12 ILE A 136 4.193 6.203 -8.905 1.00 72.43 H new ATOM 0 HG13 ILE A 136 3.362 7.745 -8.969 1.00 72.43 H new ATOM 0 HG21 ILE A 136 4.335 5.319 -11.695 1.00 21.12 H new ATOM 0 HG22 ILE A 136 5.670 6.340 -12.282 1.00 21.12 H new ATOM 0 HG23 ILE A 136 5.779 5.566 -10.683 1.00 21.12 H new ATOM 0 HD11 ILE A 136 1.772 5.891 -9.001 1.00 63.51 H new ATOM 0 HD12 ILE A 136 1.702 6.801 -10.529 1.00 63.51 H new ATOM 0 HD13 ILE A 136 2.546 5.235 -10.464 1.00 63.51 H new ATOM 2252 N ASP A 137 5.795 9.671 -12.329 1.00 41.14 N ATOM 2253 CA ASP A 137 6.488 10.196 -13.507 1.00 61.31 C ATOM 2254 C ASP A 137 7.859 10.781 -13.115 1.00 72.32 C ATOM 2255 O ASP A 137 8.873 10.526 -13.770 1.00 73.43 O ATOM 2256 CB ASP A 137 5.626 11.269 -14.185 1.00 52.44 C ATOM 2257 CG ASP A 137 6.138 11.637 -15.563 1.00 1.51 C ATOM 2258 OD1 ASP A 137 7.059 12.473 -15.659 1.00 52.22 O ATOM 2259 OD2 ASP A 137 5.629 11.076 -16.557 1.00 75.03 O ATOM 0 H ASP A 137 4.879 10.088 -12.162 1.00 41.14 H new ATOM 0 HA ASP A 137 6.653 9.378 -14.208 1.00 61.31 H new ATOM 0 HB2 ASP A 137 4.600 10.909 -14.266 1.00 52.44 H new ATOM 0 HB3 ASP A 137 5.603 12.161 -13.559 1.00 52.44 H new ATOM 2264 N SER A 138 7.874 11.549 -12.025 1.00 43.14 N ATOM 2265 CA SER A 138 9.112 12.138 -11.498 1.00 44.12 C ATOM 2266 C SER A 138 10.147 11.060 -11.155 1.00 62.22 C ATOM 2267 O SER A 138 11.343 11.234 -11.395 1.00 12.13 O ATOM 2268 CB SER A 138 8.815 12.978 -10.247 1.00 10.44 C ATOM 2269 OG SER A 138 7.942 14.062 -10.544 1.00 33.42 O ATOM 0 H SER A 138 7.040 11.780 -11.485 1.00 43.14 H new ATOM 0 HA SER A 138 9.526 12.777 -12.278 1.00 44.12 H new ATOM 0 HB2 SER A 138 8.365 12.346 -9.481 1.00 10.44 H new ATOM 0 HB3 SER A 138 9.748 13.363 -9.835 1.00 10.44 H new ATOM 0 HG SER A 138 7.044 13.717 -10.730 1.00 33.42 H new ATOM 2275 N ASN A 139 9.680 9.944 -10.597 1.00 72.32 N ATOM 2276 CA ASN A 139 10.566 8.828 -10.242 1.00 12.33 C ATOM 2277 C ASN A 139 11.119 8.127 -11.497 1.00 65.01 C ATOM 2278 O ASN A 139 12.240 7.619 -11.486 1.00 51.33 O ATOM 2279 CB ASN A 139 9.828 7.821 -9.349 1.00 50.15 C ATOM 2280 CG ASN A 139 9.547 8.348 -7.946 1.00 3.02 C ATOM 2281 OD1 ASN A 139 9.466 7.579 -6.993 1.00 22.30 O ATOM 2282 ND2 ASN A 139 9.392 9.648 -7.798 1.00 35.03 N ATOM 0 H ASN A 139 8.696 9.785 -10.380 1.00 72.32 H new ATOM 0 HA ASN A 139 11.411 9.237 -9.689 1.00 12.33 H new ATOM 0 HB2 ASN A 139 8.885 7.550 -9.823 1.00 50.15 H new ATOM 0 HB3 ASN A 139 10.421 6.910 -9.275 1.00 50.15 H new ATOM 0 HD21 ASN A 139 9.200 10.037 -6.875 1.00 35.03 H new ATOM 0 HD22 ASN A 139 9.464 10.266 -8.607 1.00 35.03 H new ATOM 2289 N ARG A 140 10.324 8.089 -12.572 1.00 52.31 N ATOM 2290 CA ARG A 140 10.805 7.573 -13.863 1.00 64.30 C ATOM 2291 C ARG A 140 11.840 8.531 -14.469 1.00 63.02 C ATOM 2292 O ARG A 140 12.779 8.114 -15.149 1.00 60.43 O ATOM 2293 CB ARG A 140 9.645 7.396 -14.857 1.00 32.11 C ATOM 2294 CG ARG A 140 8.509 6.503 -14.365 1.00 31.01 C ATOM 2295 CD ARG A 140 7.496 6.219 -15.476 1.00 63.23 C ATOM 2296 NE ARG A 140 6.985 7.446 -16.097 1.00 54.31 N ATOM 2297 CZ ARG A 140 7.355 7.882 -17.275 1.00 35.43 C ATOM 2298 NH1 ARG A 140 8.222 7.229 -17.982 1.00 31.24 N ATOM 2299 NH2 ARG A 140 6.861 8.978 -17.745 1.00 53.13 N ATOM 0 H ARG A 140 9.354 8.405 -12.577 1.00 52.31 H new ATOM 0 HA ARG A 140 11.265 6.602 -13.678 1.00 64.30 H new ATOM 0 HB2 ARG A 140 9.238 8.378 -15.097 1.00 32.11 H new ATOM 0 HB3 ARG A 140 10.040 6.980 -15.784 1.00 32.11 H new ATOM 0 HG2 ARG A 140 8.918 5.563 -13.996 1.00 31.01 H new ATOM 0 HG3 ARG A 140 8.005 6.983 -13.526 1.00 31.01 H new ATOM 0 HD2 ARG A 140 7.963 5.597 -16.239 1.00 63.23 H new ATOM 0 HD3 ARG A 140 6.662 5.649 -15.066 1.00 63.23 H new ATOM 0 HE ARG A 140 6.298 7.994 -15.579 1.00 54.31 H new ATOM 0 HH11 ARG A 140 8.625 6.364 -17.623 1.00 31.24 H new ATOM 0 HH12 ARG A 140 8.501 7.580 -18.898 1.00 31.24 H new ATOM 0 HH21 ARG A 140 6.181 9.506 -17.199 1.00 53.13 H new ATOM 0 HH22 ARG A 140 7.151 9.316 -18.663 1.00 53.13 H new ATOM 2313 N ARG A 141 11.642 9.822 -14.217 1.00 32.30 N ATOM 2314 CA ARG A 141 12.538 10.873 -14.702 1.00 44.04 C ATOM 2315 C ARG A 141 13.954 10.726 -14.115 1.00 11.12 C ATOM 2316 O ARG A 141 14.951 10.946 -14.809 1.00 51.01 O ATOM 2317 CB ARG A 141 11.943 12.245 -14.354 1.00 52.11 C ATOM 2318 CG ARG A 141 12.786 13.433 -14.805 1.00 0.52 C ATOM 2319 CD ARG A 141 12.083 14.758 -14.522 1.00 12.15 C ATOM 2320 NE ARG A 141 12.907 15.904 -14.891 1.00 15.13 N ATOM 2321 CZ ARG A 141 12.437 17.037 -15.331 1.00 63.12 C ATOM 2322 NH1 ARG A 141 11.165 17.222 -15.484 1.00 23.40 N ATOM 2323 NH2 ARG A 141 13.253 17.994 -15.620 1.00 12.13 N ATOM 0 H ARG A 141 10.855 10.172 -13.670 1.00 32.30 H new ATOM 0 HA ARG A 141 12.630 10.781 -15.784 1.00 44.04 H new ATOM 0 HB2 ARG A 141 10.955 12.324 -14.807 1.00 52.11 H new ATOM 0 HB3 ARG A 141 11.804 12.303 -13.274 1.00 52.11 H new ATOM 0 HG2 ARG A 141 13.748 13.413 -14.292 1.00 0.52 H new ATOM 0 HG3 ARG A 141 12.992 13.350 -15.872 1.00 0.52 H new ATOM 0 HD2 ARG A 141 11.143 14.795 -15.073 1.00 12.15 H new ATOM 0 HD3 ARG A 141 11.834 14.817 -13.463 1.00 12.15 H new ATOM 0 HE ARG A 141 13.919 15.812 -14.798 1.00 15.13 H new ATOM 0 HH11 ARG A 141 10.510 16.473 -15.259 1.00 23.40 H new ATOM 0 HH12 ARG A 141 10.818 18.117 -15.830 1.00 23.40 H new ATOM 0 HH21 ARG A 141 14.257 17.860 -15.503 1.00 12.13 H new ATOM 0 HH22 ARG A 141 12.894 18.884 -15.965 1.00 12.13 H new