USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 937 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 31 GLN : amide:sc= 0.525 X(o=1.7,f=1.6) USER MOD Set 1.2: A 93 THR OG1 : rot 179:sc= 1.13 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -24:sc= 0.396 USER MOD Single : A 45 THR OG1 : rot -35:sc= 0.495 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.016 USER MOD Single : A 49 MET CE :methyl 170:sc= -0.53 (180deg=-0.842) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -46:sc= 0.583 USER MOD Single : A 53 ASN : amide:sc= -2.76! C(o=-2.8!,f=-4.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 25:sc= 0.0641 USER MOD Single : A 57 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 99:sc= 1.62 USER MOD Single : A 70 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -156:sc= -0.249 (180deg=-1.22) USER MOD Single : A 75 MET CE :methyl 157:sc= 0 (180deg=-0.831) USER MOD Single : A 76 THR OG1 : rot 141:sc= 1.77 USER MOD Single : A 77 THR OG1 : rot -102:sc= 1.21 USER MOD Single : A 78 THR OG1 : rot -31:sc= 1.38 USER MOD Single : A 79 HIS : no HD1:sc=-0.00746 X(o=-0.0075,f=0) USER MOD Single : A 80 SER OG : rot 18:sc= 1.23 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -135:sc= 0.663 (180deg=-0.0221) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 74:sc= 0.326 USER MOD Single : A 103 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.46) USER MOD Single : A 108 HIS : no HE2:sc= -0.936! C(o=-0.94!,f=-4!) USER MOD Single : A 110 MET CE :methyl -106:sc= -0.0647 (180deg=-0.703) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= 1.03 (180deg=0.789) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 37:sc= 0.394 USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 ASN : amide:sc= 0.641 K(o=0.64,f=0) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -14.840 8.894 -6.047 1.00 3.12 N ATOM 370 CA VAL A 28 -14.379 7.540 -5.684 1.00 2.44 C ATOM 371 C VAL A 28 -13.534 7.568 -4.410 1.00 2.62 C ATOM 372 O VAL A 28 -12.682 8.443 -4.223 1.00 3.26 O ATOM 373 CB VAL A 28 -13.616 6.866 -6.847 1.00 2.25 C ATOM 374 CG1 VAL A 28 -12.295 7.560 -7.221 1.00 2.72 C ATOM 375 CG2 VAL A 28 -13.352 5.380 -6.575 1.00 2.79 C ATOM 0 HA VAL A 28 -15.265 6.937 -5.485 1.00 2.44 H new ATOM 0 HB VAL A 28 -14.285 6.968 -7.702 1.00 2.25 H new ATOM 0 HG11 VAL A 28 -11.823 7.024 -8.045 1.00 2.72 H new ATOM 0 HG12 VAL A 28 -12.497 8.587 -7.524 1.00 2.72 H new ATOM 0 HG13 VAL A 28 -11.628 7.561 -6.359 1.00 2.72 H new ATOM 0 HG21 VAL A 28 -12.814 4.946 -7.418 1.00 2.79 H new ATOM 0 HG22 VAL A 28 -12.753 5.277 -5.670 1.00 2.79 H new ATOM 0 HG23 VAL A 28 -14.301 4.860 -6.444 1.00 2.79 H new ATOM 385 N THR A 29 -13.772 6.610 -3.507 1.00 2.49 N ATOM 386 CA THR A 29 -13.027 6.490 -2.250 1.00 2.76 C ATOM 387 C THR A 29 -11.611 5.970 -2.502 1.00 2.43 C ATOM 388 O THR A 29 -11.280 5.448 -3.565 1.00 2.65 O ATOM 389 CB THR A 29 -13.780 5.629 -1.210 1.00 3.25 C ATOM 390 OG1 THR A 29 -14.965 5.086 -1.744 1.00 3.30 O ATOM 391 CG2 THR A 29 -14.187 6.470 -0.001 1.00 4.28 C ATOM 0 H THR A 29 -14.489 5.895 -3.628 1.00 2.49 H new ATOM 0 HA THR A 29 -12.942 7.489 -1.822 1.00 2.76 H new ATOM 0 HB THR A 29 -13.095 4.832 -0.922 1.00 3.25 H new ATOM 0 HG1 THR A 29 -15.415 4.546 -1.061 1.00 3.30 H new ATOM 0 HG21 THR A 29 -14.715 5.843 0.717 1.00 4.28 H new ATOM 0 HG22 THR A 29 -13.296 6.888 0.468 1.00 4.28 H new ATOM 0 HG23 THR A 29 -14.840 7.280 -0.325 1.00 4.28 H new ATOM 399 N VAL A 30 -10.765 6.143 -1.493 1.00 2.58 N ATOM 400 CA VAL A 30 -9.340 5.803 -1.528 1.00 2.73 C ATOM 401 C VAL A 30 -9.080 4.456 -0.845 1.00 1.97 C ATOM 402 O VAL A 30 -9.737 4.100 0.129 1.00 2.17 O ATOM 403 CB VAL A 30 -8.494 6.954 -0.922 1.00 4.09 C ATOM 404 CG1 VAL A 30 -8.782 7.192 0.572 1.00 5.15 C ATOM 405 CG2 VAL A 30 -6.985 6.738 -1.132 1.00 5.25 C ATOM 0 H VAL A 30 -11.057 6.536 -0.598 1.00 2.58 H new ATOM 0 HA VAL A 30 -9.029 5.689 -2.566 1.00 2.73 H new ATOM 0 HB VAL A 30 -8.799 7.848 -1.466 1.00 4.09 H new ATOM 0 HG11 VAL A 30 -8.159 8.009 0.937 1.00 5.15 H new ATOM 0 HG12 VAL A 30 -9.833 7.450 0.703 1.00 5.15 H new ATOM 0 HG13 VAL A 30 -8.558 6.286 1.135 1.00 5.15 H new ATOM 0 HG21 VAL A 30 -6.434 7.569 -0.691 1.00 5.25 H new ATOM 0 HG22 VAL A 30 -6.681 5.807 -0.654 1.00 5.25 H new ATOM 0 HG23 VAL A 30 -6.770 6.686 -2.199 1.00 5.25 H new ATOM 415 N GLN A 31 -8.068 3.748 -1.347 1.00 1.92 N ATOM 416 CA GLN A 31 -7.501 2.497 -0.835 1.00 2.09 C ATOM 417 C GLN A 31 -6.985 2.494 0.616 1.00 2.33 C ATOM 418 O GLN A 31 -6.544 1.448 1.095 1.00 3.67 O ATOM 419 CB GLN A 31 -6.413 2.062 -1.837 1.00 2.54 C ATOM 420 CG GLN A 31 -5.207 3.013 -1.981 1.00 2.50 C ATOM 421 CD GLN A 31 -4.434 2.746 -3.270 1.00 2.72 C ATOM 422 OE1 GLN A 31 -4.117 3.643 -4.037 1.00 3.66 O ATOM 423 NE2 GLN A 31 -4.163 1.513 -3.637 1.00 2.52 N ATOM 0 H GLN A 31 -7.584 4.058 -2.190 1.00 1.92 H new ATOM 0 HA GLN A 31 -8.321 1.783 -0.763 1.00 2.09 H new ATOM 0 HB2 GLN A 31 -6.043 1.081 -1.538 1.00 2.54 H new ATOM 0 HB3 GLN A 31 -6.876 1.943 -2.817 1.00 2.54 H new ATOM 0 HG2 GLN A 31 -5.554 4.046 -1.971 1.00 2.50 H new ATOM 0 HG3 GLN A 31 -4.543 2.892 -1.125 1.00 2.50 H new ATOM 0 HE21 GLN A 31 -4.410 0.733 -3.027 1.00 2.52 H new ATOM 0 HE22 GLN A 31 -3.706 1.336 -4.531 1.00 2.52 H new ATOM 432 N GLY A 32 -7.057 3.628 1.319 1.00 1.74 N ATOM 433 CA GLY A 32 -6.950 3.784 2.783 1.00 1.83 C ATOM 434 C GLY A 32 -5.541 3.655 3.373 1.00 1.64 C ATOM 435 O GLY A 32 -5.233 4.329 4.352 1.00 2.00 O ATOM 0 H GLY A 32 -7.201 4.525 0.855 1.00 1.74 H new ATOM 0 HA2 GLY A 32 -7.347 4.762 3.054 1.00 1.83 H new ATOM 0 HA3 GLY A 32 -7.589 3.038 3.255 1.00 1.83 H new ATOM 439 N ALA A 33 -4.704 2.809 2.766 1.00 1.49 N ATOM 440 CA ALA A 33 -3.297 2.587 3.111 1.00 1.37 C ATOM 441 C ALA A 33 -3.107 2.020 4.531 1.00 1.36 C ATOM 442 O ALA A 33 -2.074 2.262 5.154 1.00 2.25 O ATOM 443 CB ALA A 33 -2.522 3.891 2.868 1.00 1.39 C ATOM 0 H ALA A 33 -5.005 2.231 1.981 1.00 1.49 H new ATOM 0 HA ALA A 33 -2.889 1.811 2.463 1.00 1.37 H new ATOM 0 HB1 ALA A 33 -1.472 3.743 3.120 1.00 1.39 H new ATOM 0 HB2 ALA A 33 -2.607 4.174 1.819 1.00 1.39 H new ATOM 0 HB3 ALA A 33 -2.937 4.682 3.492 1.00 1.39 H new ATOM 449 N THR A 34 -4.110 1.303 5.058 1.00 0.87 N ATOM 450 CA THR A 34 -4.226 1.043 6.500 1.00 0.88 C ATOM 451 C THR A 34 -3.156 0.061 6.953 1.00 0.85 C ATOM 452 O THR A 34 -3.069 -1.037 6.419 1.00 1.18 O ATOM 453 CB THR A 34 -5.613 0.537 6.891 1.00 1.23 C ATOM 454 OG1 THR A 34 -6.622 1.322 6.291 1.00 1.77 O ATOM 455 CG2 THR A 34 -5.830 0.603 8.406 1.00 1.61 C ATOM 0 H THR A 34 -4.858 0.890 4.501 1.00 0.87 H new ATOM 0 HA THR A 34 -4.076 1.995 7.009 1.00 0.88 H new ATOM 0 HB THR A 34 -5.671 -0.496 6.549 1.00 1.23 H new ATOM 0 HG1 THR A 34 -7.502 0.980 6.553 1.00 1.77 H new ATOM 0 HG21 THR A 34 -6.827 0.235 8.647 1.00 1.61 H new ATOM 0 HG22 THR A 34 -5.085 -0.014 8.908 1.00 1.61 H new ATOM 0 HG23 THR A 34 -5.733 1.635 8.743 1.00 1.61 H new ATOM 463 N VAL A 35 -2.350 0.428 7.944 1.00 0.69 N ATOM 464 CA VAL A 35 -1.218 -0.400 8.423 1.00 0.61 C ATOM 465 C VAL A 35 -1.680 -1.428 9.460 1.00 0.67 C ATOM 466 O VAL A 35 -2.543 -1.126 10.279 1.00 0.77 O ATOM 467 CB VAL A 35 -0.084 0.455 9.033 1.00 0.55 C ATOM 468 CG1 VAL A 35 1.174 -0.365 9.381 1.00 0.72 C ATOM 469 CG2 VAL A 35 0.341 1.572 8.059 1.00 0.73 C ATOM 0 H VAL A 35 -2.453 1.309 8.448 1.00 0.69 H new ATOM 0 HA VAL A 35 -0.829 -0.917 7.546 1.00 0.61 H new ATOM 0 HB VAL A 35 -0.496 0.870 9.953 1.00 0.55 H new ATOM 0 HG11 VAL A 35 1.932 0.294 9.805 1.00 0.72 H new ATOM 0 HG12 VAL A 35 0.916 -1.136 10.107 1.00 0.72 H new ATOM 0 HG13 VAL A 35 1.565 -0.833 8.477 1.00 0.72 H new ATOM 0 HG21 VAL A 35 1.140 2.162 8.508 1.00 0.73 H new ATOM 0 HG22 VAL A 35 0.696 1.128 7.129 1.00 0.73 H new ATOM 0 HG23 VAL A 35 -0.513 2.217 7.850 1.00 0.73 H new ATOM 479 N ALA A 36 -1.059 -2.612 9.484 1.00 0.69 N ATOM 480 CA ALA A 36 -1.181 -3.566 10.582 1.00 0.86 C ATOM 481 C ALA A 36 -0.565 -3.024 11.888 1.00 1.01 C ATOM 482 O ALA A 36 0.650 -3.062 12.075 1.00 1.57 O ATOM 483 CB ALA A 36 -0.514 -4.886 10.175 1.00 1.03 C ATOM 0 H ALA A 36 -0.451 -2.935 8.731 1.00 0.69 H new ATOM 0 HA ALA A 36 -2.240 -3.733 10.779 1.00 0.86 H new ATOM 0 HB1 ALA A 36 -0.601 -5.604 10.990 1.00 1.03 H new ATOM 0 HB2 ALA A 36 -1.006 -5.284 9.287 1.00 1.03 H new ATOM 0 HB3 ALA A 36 0.539 -4.710 9.958 1.00 1.03 H new ATOM 489 N ALA A 37 -1.424 -2.585 12.810 1.00 0.92 N ATOM 490 CA ALA A 37 -1.067 -2.340 14.223 1.00 1.05 C ATOM 491 C ALA A 37 -0.238 -3.498 14.799 1.00 1.06 C ATOM 492 O ALA A 37 -0.612 -4.661 14.620 1.00 1.16 O ATOM 493 CB ALA A 37 -2.337 -2.111 15.068 1.00 1.20 C ATOM 0 H ALA A 37 -2.402 -2.385 12.601 1.00 0.92 H new ATOM 0 HA ALA A 37 -0.454 -1.440 14.262 1.00 1.05 H new ATOM 0 HB1 ALA A 37 -2.056 -1.932 16.106 1.00 1.20 H new ATOM 0 HB2 ALA A 37 -2.878 -1.246 14.684 1.00 1.20 H new ATOM 0 HB3 ALA A 37 -2.975 -2.993 15.012 1.00 1.20 H new ATOM 499 N VAL A 38 0.862 -3.192 15.495 1.00 1.10 N ATOM 500 CA VAL A 38 1.907 -4.169 15.849 1.00 1.11 C ATOM 501 C VAL A 38 2.541 -3.798 17.205 1.00 1.17 C ATOM 502 O VAL A 38 2.734 -2.606 17.458 1.00 1.28 O ATOM 503 CB VAL A 38 2.954 -4.269 14.696 1.00 1.29 C ATOM 504 CG1 VAL A 38 4.401 -4.514 15.143 1.00 2.18 C ATOM 505 CG2 VAL A 38 2.561 -5.409 13.735 1.00 2.18 C ATOM 0 H VAL A 38 1.058 -2.250 15.834 1.00 1.10 H new ATOM 0 HA VAL A 38 1.467 -5.159 15.967 1.00 1.11 H new ATOM 0 HB VAL A 38 2.934 -3.289 14.219 1.00 1.29 H new ATOM 0 HG11 VAL A 38 5.048 -4.567 14.268 1.00 2.18 H new ATOM 0 HG12 VAL A 38 4.727 -3.696 15.786 1.00 2.18 H new ATOM 0 HG13 VAL A 38 4.458 -5.453 15.694 1.00 2.18 H new ATOM 0 HG21 VAL A 38 3.294 -5.476 12.931 1.00 2.18 H new ATOM 0 HG22 VAL A 38 2.534 -6.352 14.281 1.00 2.18 H new ATOM 0 HG23 VAL A 38 1.577 -5.206 13.313 1.00 2.18 H new ATOM 515 N PRO A 39 2.850 -4.785 18.079 1.00 1.21 N ATOM 516 CA PRO A 39 3.395 -4.552 19.417 1.00 1.34 C ATOM 517 C PRO A 39 4.888 -4.171 19.394 1.00 1.35 C ATOM 518 O PRO A 39 5.583 -4.442 18.410 1.00 1.28 O ATOM 519 CB PRO A 39 3.177 -5.865 20.178 1.00 1.45 C ATOM 520 CG PRO A 39 3.242 -6.920 19.080 1.00 1.39 C ATOM 521 CD PRO A 39 2.594 -6.210 17.895 1.00 1.24 C ATOM 0 HA PRO A 39 2.896 -3.708 19.893 1.00 1.34 H new ATOM 0 HB2 PRO A 39 3.945 -6.024 20.935 1.00 1.45 H new ATOM 0 HB3 PRO A 39 2.216 -5.878 20.692 1.00 1.45 H new ATOM 0 HG2 PRO A 39 4.268 -7.216 18.863 1.00 1.39 H new ATOM 0 HG3 PRO A 39 2.701 -7.825 19.355 1.00 1.39 H new ATOM 0 HD2 PRO A 39 3.015 -6.562 16.953 1.00 1.24 H new ATOM 0 HD3 PRO A 39 1.523 -6.411 17.860 1.00 1.24 H new ATOM 529 N PRO A 40 5.413 -3.562 20.479 1.00 1.55 N ATOM 530 CA PRO A 40 6.813 -3.161 20.578 1.00 1.67 C ATOM 531 C PRO A 40 7.758 -4.368 20.620 1.00 1.72 C ATOM 532 O PRO A 40 7.389 -5.448 21.077 1.00 2.71 O ATOM 533 CB PRO A 40 6.919 -2.294 21.837 1.00 1.95 C ATOM 534 CG PRO A 40 5.786 -2.819 22.716 1.00 2.01 C ATOM 535 CD PRO A 40 4.705 -3.188 21.698 1.00 1.78 C ATOM 0 HA PRO A 40 7.122 -2.601 19.696 1.00 1.67 H new ATOM 0 HB2 PRO A 40 7.889 -2.404 22.322 1.00 1.95 H new ATOM 0 HB3 PRO A 40 6.795 -1.235 21.609 1.00 1.95 H new ATOM 0 HG2 PRO A 40 6.098 -3.682 23.304 1.00 2.01 H new ATOM 0 HG3 PRO A 40 5.437 -2.063 23.419 1.00 2.01 H new ATOM 0 HD2 PRO A 40 4.091 -4.012 22.062 1.00 1.78 H new ATOM 0 HD3 PRO A 40 4.035 -2.347 21.518 1.00 1.78 H new ATOM 543 N SER A 41 8.973 -4.147 20.105 1.00 1.85 N ATOM 544 CA SER A 41 10.057 -5.114 19.814 1.00 2.00 C ATOM 545 C SER A 41 9.982 -5.662 18.378 1.00 1.83 C ATOM 546 O SER A 41 10.938 -6.277 17.907 1.00 2.02 O ATOM 547 CB SER A 41 10.130 -6.293 20.800 1.00 2.28 C ATOM 548 OG SER A 41 11.338 -7.010 20.615 1.00 2.67 O ATOM 0 H SER A 41 9.257 -3.200 19.855 1.00 1.85 H new ATOM 0 HA SER A 41 10.969 -4.530 19.933 1.00 2.00 H new ATOM 0 HB2 SER A 41 10.070 -5.925 21.824 1.00 2.28 H new ATOM 0 HB3 SER A 41 9.278 -6.956 20.649 1.00 2.28 H new ATOM 0 HG SER A 41 11.669 -6.863 19.704 1.00 2.67 H new ATOM 554 N ILE A 42 8.864 -5.457 17.673 1.00 1.57 N ATOM 555 CA ILE A 42 8.655 -5.954 16.311 1.00 1.42 C ATOM 556 C ILE A 42 8.923 -4.831 15.296 1.00 1.35 C ATOM 557 O ILE A 42 8.162 -3.870 15.194 1.00 1.66 O ATOM 558 CB ILE A 42 7.241 -6.556 16.190 1.00 1.45 C ATOM 559 CG1 ILE A 42 6.915 -7.618 17.270 1.00 1.83 C ATOM 560 CG2 ILE A 42 7.015 -7.139 14.785 1.00 1.42 C ATOM 561 CD1 ILE A 42 7.868 -8.821 17.328 1.00 2.25 C ATOM 0 H ILE A 42 8.069 -4.934 18.039 1.00 1.57 H new ATOM 0 HA ILE A 42 9.361 -6.753 16.086 1.00 1.42 H new ATOM 0 HB ILE A 42 6.553 -5.728 16.360 1.00 1.45 H new ATOM 0 HG12 ILE A 42 6.915 -7.130 18.245 1.00 1.83 H new ATOM 0 HG13 ILE A 42 5.904 -7.987 17.098 1.00 1.83 H new ATOM 0 HG21 ILE A 42 6.011 -7.558 14.722 1.00 1.42 H new ATOM 0 HG22 ILE A 42 7.126 -6.350 14.041 1.00 1.42 H new ATOM 0 HG23 ILE A 42 7.748 -7.923 14.594 1.00 1.42 H new ATOM 0 HD11 ILE A 42 7.548 -9.501 18.118 1.00 2.25 H new ATOM 0 HD12 ILE A 42 7.853 -9.343 16.371 1.00 2.25 H new ATOM 0 HD13 ILE A 42 8.880 -8.474 17.536 1.00 2.25 H new ATOM 573 N ARG A 43 10.035 -4.961 14.558 1.00 1.21 N ATOM 574 CA ARG A 43 10.513 -4.023 13.531 1.00 1.23 C ATOM 575 C ARG A 43 10.002 -4.360 12.119 1.00 1.04 C ATOM 576 O ARG A 43 10.601 -3.924 11.136 1.00 1.18 O ATOM 577 CB ARG A 43 12.048 -3.897 13.629 1.00 1.56 C ATOM 578 CG ARG A 43 12.808 -5.197 13.309 1.00 2.47 C ATOM 579 CD ARG A 43 14.297 -5.061 13.638 1.00 2.90 C ATOM 580 NE ARG A 43 15.020 -6.268 13.189 1.00 3.86 N ATOM 581 CZ ARG A 43 16.333 -6.470 13.270 1.00 4.51 C ATOM 582 NH1 ARG A 43 17.143 -5.698 13.966 1.00 4.43 N ATOM 583 NH2 ARG A 43 16.856 -7.529 12.694 1.00 5.60 N ATOM 0 H ARG A 43 10.656 -5.763 14.666 1.00 1.21 H new ATOM 0 HA ARG A 43 10.085 -3.040 13.728 1.00 1.23 H new ATOM 0 HB2 ARG A 43 12.382 -3.116 12.946 1.00 1.56 H new ATOM 0 HB3 ARG A 43 12.312 -3.573 14.636 1.00 1.56 H new ATOM 0 HG2 ARG A 43 12.380 -6.022 13.879 1.00 2.47 H new ATOM 0 HG3 ARG A 43 12.687 -5.442 12.254 1.00 2.47 H new ATOM 0 HD2 ARG A 43 14.708 -4.177 13.150 1.00 2.90 H new ATOM 0 HD3 ARG A 43 14.431 -4.924 14.711 1.00 2.90 H new ATOM 0 HE ARG A 43 14.461 -7.016 12.779 1.00 3.86 H new ATOM 0 HH11 ARG A 43 16.771 -4.898 14.478 1.00 4.43 H new ATOM 0 HH12 ARG A 43 18.142 -5.900 13.993 1.00 4.43 H new ATOM 0 HH21 ARG A 43 16.257 -8.185 12.192 1.00 5.60 H new ATOM 0 HH22 ARG A 43 17.861 -7.695 12.749 1.00 5.60 H new ATOM 597 N ASP A 44 8.894 -5.087 12.000 1.00 0.91 N ATOM 598 CA ASP A 44 8.331 -5.572 10.741 1.00 0.90 C ATOM 599 C ASP A 44 6.809 -5.355 10.738 1.00 0.79 C ATOM 600 O ASP A 44 6.112 -5.746 11.678 1.00 0.92 O ATOM 601 CB ASP A 44 8.633 -7.075 10.582 1.00 1.16 C ATOM 602 CG ASP A 44 10.099 -7.416 10.285 1.00 1.40 C ATOM 603 OD1 ASP A 44 10.983 -7.143 11.127 1.00 1.91 O ATOM 604 OD2 ASP A 44 10.333 -8.041 9.222 1.00 2.53 O ATOM 0 H ASP A 44 8.341 -5.366 12.810 1.00 0.91 H new ATOM 0 HA ASP A 44 8.779 -5.022 9.913 1.00 0.90 H new ATOM 0 HB2 ASP A 44 8.335 -7.588 11.496 1.00 1.16 H new ATOM 0 HB3 ASP A 44 8.014 -7.471 9.777 1.00 1.16 H new ATOM 609 N THR A 45 6.280 -4.752 9.663 1.00 0.70 N ATOM 610 CA THR A 45 4.841 -4.491 9.491 1.00 0.73 C ATOM 611 C THR A 45 4.399 -4.683 8.044 1.00 0.59 C ATOM 612 O THR A 45 5.207 -4.623 7.118 1.00 0.67 O ATOM 613 CB THR A 45 4.437 -3.092 9.978 1.00 1.07 C ATOM 614 OG1 THR A 45 5.083 -2.109 9.216 1.00 2.68 O ATOM 615 CG2 THR A 45 4.748 -2.845 11.450 1.00 1.36 C ATOM 0 H THR A 45 6.845 -4.428 8.878 1.00 0.70 H new ATOM 0 HA THR A 45 4.329 -5.225 10.113 1.00 0.73 H new ATOM 0 HB THR A 45 3.355 -3.036 9.856 1.00 1.07 H new ATOM 0 HG1 THR A 45 5.980 -2.420 8.973 1.00 2.68 H new ATOM 0 HG21 THR A 45 4.436 -1.837 11.724 1.00 1.36 H new ATOM 0 HG22 THR A 45 4.211 -3.570 12.062 1.00 1.36 H new ATOM 0 HG23 THR A 45 5.820 -2.951 11.618 1.00 1.36 H new ATOM 623 N ALA A 46 3.094 -4.879 7.854 1.00 0.73 N ATOM 624 CA ALA A 46 2.433 -5.050 6.561 1.00 0.87 C ATOM 625 C ALA A 46 1.186 -4.151 6.487 1.00 0.89 C ATOM 626 O ALA A 46 0.566 -3.891 7.515 1.00 0.94 O ATOM 627 CB ALA A 46 2.121 -6.540 6.391 1.00 1.09 C ATOM 0 H ALA A 46 2.439 -4.925 8.634 1.00 0.73 H new ATOM 0 HA ALA A 46 3.073 -4.741 5.735 1.00 0.87 H new ATOM 0 HB1 ALA A 46 1.626 -6.701 5.433 1.00 1.09 H new ATOM 0 HB2 ALA A 46 3.049 -7.112 6.421 1.00 1.09 H new ATOM 0 HB3 ALA A 46 1.466 -6.869 7.198 1.00 1.09 H new ATOM 633 N ALA A 47 0.818 -3.647 5.306 1.00 0.98 N ATOM 634 CA ALA A 47 -0.211 -2.612 5.160 1.00 0.91 C ATOM 635 C ALA A 47 -1.137 -2.862 3.957 1.00 0.96 C ATOM 636 O ALA A 47 -0.761 -3.487 2.963 1.00 1.14 O ATOM 637 CB ALA A 47 0.483 -1.242 5.123 1.00 0.99 C ATOM 0 H ALA A 47 1.226 -3.946 4.420 1.00 0.98 H new ATOM 0 HA ALA A 47 -0.881 -2.641 6.019 1.00 0.91 H new ATOM 0 HB1 ALA A 47 -0.266 -0.458 5.015 1.00 0.99 H new ATOM 0 HB2 ALA A 47 1.037 -1.090 6.049 1.00 0.99 H new ATOM 0 HB3 ALA A 47 1.171 -1.206 4.279 1.00 0.99 H new ATOM 643 N TYR A 48 -2.388 -2.434 4.090 1.00 1.00 N ATOM 644 CA TYR A 48 -3.527 -2.883 3.289 1.00 1.14 C ATOM 645 C TYR A 48 -4.030 -1.803 2.321 1.00 0.88 C ATOM 646 O TYR A 48 -4.106 -0.622 2.667 1.00 1.11 O ATOM 647 CB TYR A 48 -4.650 -3.313 4.247 1.00 1.77 C ATOM 648 CG TYR A 48 -4.213 -4.244 5.370 1.00 1.78 C ATOM 649 CD1 TYR A 48 -3.613 -5.490 5.088 1.00 2.06 C ATOM 650 CD2 TYR A 48 -4.380 -3.840 6.708 1.00 3.08 C ATOM 651 CE1 TYR A 48 -3.198 -6.329 6.140 1.00 2.72 C ATOM 652 CE2 TYR A 48 -3.954 -4.663 7.763 1.00 3.52 C ATOM 653 CZ TYR A 48 -3.363 -5.914 7.481 1.00 3.04 C ATOM 654 OH TYR A 48 -2.951 -6.702 8.508 1.00 3.88 O ATOM 0 H TYR A 48 -2.649 -1.736 4.787 1.00 1.00 H new ATOM 0 HA TYR A 48 -3.206 -3.721 2.670 1.00 1.14 H new ATOM 0 HB2 TYR A 48 -5.094 -2.420 4.687 1.00 1.77 H new ATOM 0 HB3 TYR A 48 -5.432 -3.806 3.669 1.00 1.77 H new ATOM 0 HD1 TYR A 48 -3.472 -5.801 4.063 1.00 2.06 H new ATOM 0 HD2 TYR A 48 -4.840 -2.888 6.925 1.00 3.08 H new ATOM 0 HE1 TYR A 48 -2.754 -7.289 5.922 1.00 2.72 H new ATOM 0 HE2 TYR A 48 -4.078 -4.340 8.786 1.00 3.52 H new ATOM 0 HH TYR A 48 -3.143 -6.257 9.360 1.00 3.88 H new ATOM 664 N MET A 49 -4.392 -2.225 1.103 1.00 0.85 N ATOM 665 CA MET A 49 -4.835 -1.330 0.029 1.00 1.19 C ATOM 666 C MET A 49 -5.733 -2.048 -0.988 1.00 1.10 C ATOM 667 O MET A 49 -5.401 -3.138 -1.455 1.00 1.16 O ATOM 668 CB MET A 49 -3.607 -0.725 -0.672 1.00 1.81 C ATOM 669 CG MET A 49 -3.040 0.546 -0.045 1.00 2.30 C ATOM 670 SD MET A 49 -1.849 1.337 -1.157 1.00 3.84 S ATOM 671 CE MET A 49 -1.433 2.812 -0.207 1.00 4.66 C ATOM 0 H MET A 49 -4.385 -3.209 0.834 1.00 0.85 H new ATOM 0 HA MET A 49 -5.433 -0.536 0.477 1.00 1.19 H new ATOM 0 HB2 MET A 49 -2.819 -1.478 -0.696 1.00 1.81 H new ATOM 0 HB3 MET A 49 -3.873 -0.509 -1.707 1.00 1.81 H new ATOM 0 HG2 MET A 49 -3.851 1.239 0.179 1.00 2.30 H new ATOM 0 HG3 MET A 49 -2.556 0.305 0.901 1.00 2.30 H new ATOM 0 HE1 MET A 49 -0.583 3.314 -0.669 1.00 4.66 H new ATOM 0 HE2 MET A 49 -2.288 3.487 -0.190 1.00 4.66 H new ATOM 0 HE3 MET A 49 -1.176 2.527 0.813 1.00 4.66 H new ATOM 681 N THR A 50 -6.840 -1.403 -1.380 1.00 1.16 N ATOM 682 CA THR A 50 -7.872 -1.929 -2.300 1.00 1.15 C ATOM 683 C THR A 50 -8.479 -0.775 -3.094 1.00 1.35 C ATOM 684 O THR A 50 -8.768 0.262 -2.503 1.00 1.62 O ATOM 685 CB THR A 50 -9.017 -2.559 -1.493 1.00 1.26 C ATOM 686 OG1 THR A 50 -8.519 -3.334 -0.427 1.00 2.10 O ATOM 687 CG2 THR A 50 -9.879 -3.495 -2.345 1.00 1.68 C ATOM 0 H THR A 50 -7.055 -0.461 -1.054 1.00 1.16 H new ATOM 0 HA THR A 50 -7.406 -2.663 -2.957 1.00 1.15 H new ATOM 0 HB THR A 50 -9.614 -1.722 -1.131 1.00 1.26 H new ATOM 0 HG1 THR A 50 -9.267 -3.723 0.072 1.00 2.10 H new ATOM 0 HG21 THR A 50 -10.675 -3.916 -1.731 1.00 1.68 H new ATOM 0 HG22 THR A 50 -10.316 -2.935 -3.172 1.00 1.68 H new ATOM 0 HG23 THR A 50 -9.260 -4.301 -2.740 1.00 1.68 H new ATOM 695 N LEU A 51 -8.714 -0.911 -4.402 1.00 1.51 N ATOM 696 CA LEU A 51 -9.482 0.106 -5.150 1.00 1.68 C ATOM 697 C LEU A 51 -10.988 0.050 -4.815 1.00 1.54 C ATOM 698 O LEU A 51 -11.433 -0.868 -4.125 1.00 2.73 O ATOM 699 CB LEU A 51 -9.161 -0.003 -6.658 1.00 2.73 C ATOM 700 CG LEU A 51 -9.921 -1.024 -7.547 1.00 5.12 C ATOM 701 CD1 LEU A 51 -10.149 -2.402 -6.916 1.00 6.75 C ATOM 702 CD2 LEU A 51 -11.273 -0.515 -8.076 1.00 6.07 C ATOM 0 H LEU A 51 -8.392 -1.699 -4.964 1.00 1.51 H new ATOM 0 HA LEU A 51 -9.171 1.102 -4.834 1.00 1.68 H new ATOM 0 HB2 LEU A 51 -9.317 0.984 -7.094 1.00 2.73 H new ATOM 0 HB3 LEU A 51 -8.098 -0.226 -6.747 1.00 2.73 H new ATOM 0 HG LEU A 51 -9.224 -1.140 -8.377 1.00 5.12 H new ATOM 0 HD11 LEU A 51 -10.687 -3.039 -7.618 1.00 6.75 H new ATOM 0 HD12 LEU A 51 -9.187 -2.857 -6.677 1.00 6.75 H new ATOM 0 HD13 LEU A 51 -10.735 -2.292 -6.003 1.00 6.75 H new ATOM 0 HD21 LEU A 51 -11.739 -1.288 -8.687 1.00 6.07 H new ATOM 0 HD22 LEU A 51 -11.925 -0.275 -7.236 1.00 6.07 H new ATOM 0 HD23 LEU A 51 -11.114 0.379 -8.680 1.00 6.07 H new ATOM 714 N THR A 52 -11.792 0.996 -5.330 1.00 1.27 N ATOM 715 CA THR A 52 -13.247 1.006 -5.098 1.00 1.69 C ATOM 716 C THR A 52 -14.057 1.806 -6.137 1.00 1.72 C ATOM 717 O THR A 52 -15.067 2.419 -5.797 1.00 2.46 O ATOM 718 CB THR A 52 -13.504 1.373 -3.627 1.00 2.43 C ATOM 719 OG1 THR A 52 -14.862 1.185 -3.342 1.00 3.41 O ATOM 720 CG2 THR A 52 -13.116 2.801 -3.262 1.00 3.38 C ATOM 0 H THR A 52 -11.458 1.765 -5.911 1.00 1.27 H new ATOM 0 HA THR A 52 -13.641 0.003 -5.265 1.00 1.69 H new ATOM 0 HB THR A 52 -12.868 0.719 -3.031 1.00 2.43 H new ATOM 0 HG1 THR A 52 -15.404 1.583 -4.055 1.00 3.41 H new ATOM 0 HG21 THR A 52 -13.329 2.978 -2.208 1.00 3.38 H new ATOM 0 HG22 THR A 52 -12.052 2.947 -3.446 1.00 3.38 H new ATOM 0 HG23 THR A 52 -13.689 3.501 -3.870 1.00 3.38 H new ATOM 728 N ASN A 53 -13.649 1.819 -7.415 1.00 1.44 N ATOM 729 CA ASN A 53 -14.349 2.533 -8.471 1.00 1.45 C ATOM 730 C ASN A 53 -15.621 1.799 -8.922 1.00 1.56 C ATOM 731 O ASN A 53 -15.619 0.575 -9.057 1.00 1.81 O ATOM 732 CB ASN A 53 -13.331 2.649 -9.594 1.00 1.52 C ATOM 733 CG ASN A 53 -13.830 3.221 -10.904 1.00 2.18 C ATOM 734 OD1 ASN A 53 -14.865 3.866 -11.059 1.00 3.69 O ATOM 735 ND2 ASN A 53 -13.059 2.942 -11.918 1.00 2.18 N ATOM 0 H ASN A 53 -12.816 1.327 -7.738 1.00 1.44 H new ATOM 0 HA ASN A 53 -14.702 3.508 -8.136 1.00 1.45 H new ATOM 0 HB2 ASN A 53 -12.506 3.269 -9.243 1.00 1.52 H new ATOM 0 HB3 ASN A 53 -12.924 1.657 -9.788 1.00 1.52 H new ATOM 0 HD21 ASN A 53 -13.312 3.260 -12.854 1.00 2.18 H new ATOM 0 HD22 ASN A 53 -12.203 2.406 -11.775 1.00 2.18 H new ATOM 742 N LYS A 54 -16.674 2.576 -9.205 1.00 1.70 N ATOM 743 CA LYS A 54 -17.999 2.066 -9.608 1.00 2.02 C ATOM 744 C LYS A 54 -18.709 2.943 -10.673 1.00 1.93 C ATOM 745 O LYS A 54 -19.933 2.956 -10.748 1.00 2.55 O ATOM 746 CB LYS A 54 -18.826 1.826 -8.321 1.00 2.68 C ATOM 747 CG LYS A 54 -19.785 0.624 -8.430 1.00 3.36 C ATOM 748 CD LYS A 54 -20.422 0.285 -7.069 1.00 4.01 C ATOM 749 CE LYS A 54 -21.222 -1.028 -7.134 1.00 4.93 C ATOM 750 NZ LYS A 54 -21.686 -1.451 -5.785 1.00 5.32 N ATOM 0 H LYS A 54 -16.633 3.594 -9.161 1.00 1.70 H new ATOM 0 HA LYS A 54 -17.881 1.118 -10.132 1.00 2.02 H new ATOM 0 HB2 LYS A 54 -18.146 1.665 -7.485 1.00 2.68 H new ATOM 0 HB3 LYS A 54 -19.402 2.723 -8.095 1.00 2.68 H new ATOM 0 HG2 LYS A 54 -20.569 0.847 -9.154 1.00 3.36 H new ATOM 0 HG3 LYS A 54 -19.242 -0.243 -8.805 1.00 3.36 H new ATOM 0 HD2 LYS A 54 -19.642 0.201 -6.312 1.00 4.01 H new ATOM 0 HD3 LYS A 54 -21.079 1.098 -6.761 1.00 4.01 H new ATOM 0 HE2 LYS A 54 -22.082 -0.899 -7.792 1.00 4.93 H new ATOM 0 HE3 LYS A 54 -20.602 -1.812 -7.569 1.00 4.93 H new ATOM 0 HZ1 LYS A 54 -22.222 -2.339 -5.865 1.00 5.32 H new ATOM 0 HZ2 LYS A 54 -20.864 -1.597 -5.165 1.00 5.32 H new ATOM 0 HZ3 LYS A 54 -22.297 -0.713 -5.381 1.00 5.32 H new ATOM 764 N SER A 55 -17.945 3.669 -11.500 1.00 1.51 N ATOM 765 CA SER A 55 -18.453 4.604 -12.528 1.00 1.68 C ATOM 766 C SER A 55 -17.474 4.754 -13.714 1.00 1.76 C ATOM 767 O SER A 55 -17.719 4.159 -14.763 1.00 2.96 O ATOM 768 CB SER A 55 -18.724 5.991 -11.913 1.00 2.05 C ATOM 769 OG SER A 55 -19.983 6.073 -11.261 1.00 2.53 O ATOM 0 H SER A 55 -16.926 3.625 -11.476 1.00 1.51 H new ATOM 0 HA SER A 55 -19.383 4.180 -12.907 1.00 1.68 H new ATOM 0 HB2 SER A 55 -17.935 6.226 -11.198 1.00 2.05 H new ATOM 0 HB3 SER A 55 -18.678 6.746 -12.698 1.00 2.05 H new ATOM 0 HG SER A 55 -20.264 5.178 -10.978 1.00 2.53 H new ATOM 775 N ASP A 56 -16.372 5.504 -13.525 1.00 1.87 N ATOM 776 CA ASP A 56 -15.317 5.904 -14.479 1.00 2.25 C ATOM 777 C ASP A 56 -14.359 6.878 -13.750 1.00 2.66 C ATOM 778 O ASP A 56 -14.104 7.996 -14.188 1.00 3.35 O ATOM 779 CB ASP A 56 -15.852 6.497 -15.809 1.00 2.76 C ATOM 780 CG ASP A 56 -14.711 6.788 -16.806 1.00 3.91 C ATOM 781 OD1 ASP A 56 -13.948 5.845 -17.112 1.00 4.51 O ATOM 782 OD2 ASP A 56 -14.577 7.939 -17.288 1.00 5.22 O ATOM 0 H ASP A 56 -16.177 5.887 -12.600 1.00 1.87 H new ATOM 0 HA ASP A 56 -14.784 5.007 -14.793 1.00 2.25 H new ATOM 0 HB2 ASP A 56 -16.559 5.800 -16.259 1.00 2.76 H new ATOM 0 HB3 ASP A 56 -16.398 7.417 -15.603 1.00 2.76 H new ATOM 787 N GLN A 57 -13.863 6.480 -12.576 1.00 2.48 N ATOM 788 CA GLN A 57 -12.865 7.260 -11.845 1.00 2.90 C ATOM 789 C GLN A 57 -11.690 6.347 -11.450 1.00 2.88 C ATOM 790 O GLN A 57 -11.803 5.586 -10.480 1.00 2.91 O ATOM 791 CB GLN A 57 -13.491 7.950 -10.621 1.00 3.17 C ATOM 792 CG GLN A 57 -14.563 8.993 -10.991 1.00 2.86 C ATOM 793 CD GLN A 57 -14.836 10.024 -9.879 1.00 3.77 C ATOM 794 OE1 GLN A 57 -14.662 9.787 -8.696 1.00 4.94 O ATOM 795 NE2 GLN A 57 -15.302 11.208 -10.217 1.00 4.05 N ATOM 0 H GLN A 57 -14.140 5.616 -12.110 1.00 2.48 H new ATOM 0 HA GLN A 57 -12.484 8.052 -12.490 1.00 2.90 H new ATOM 0 HB2 GLN A 57 -13.937 7.194 -9.975 1.00 3.17 H new ATOM 0 HB3 GLN A 57 -12.704 8.437 -10.045 1.00 3.17 H new ATOM 0 HG2 GLN A 57 -14.249 9.519 -11.893 1.00 2.86 H new ATOM 0 HG3 GLN A 57 -15.492 8.476 -11.231 1.00 2.86 H new ATOM 0 HE21 GLN A 57 -15.457 11.434 -11.200 1.00 4.05 H new ATOM 0 HE22 GLN A 57 -15.508 11.900 -9.496 1.00 4.05 H new ATOM 804 N PRO A 58 -10.563 6.399 -12.187 1.00 2.97 N ATOM 805 CA PRO A 58 -9.317 5.815 -11.742 1.00 3.13 C ATOM 806 C PRO A 58 -8.482 6.834 -10.966 1.00 3.29 C ATOM 807 O PRO A 58 -8.622 8.046 -11.127 1.00 3.79 O ATOM 808 CB PRO A 58 -8.597 5.389 -13.011 1.00 3.22 C ATOM 809 CG PRO A 58 -8.963 6.530 -13.968 1.00 3.28 C ATOM 810 CD PRO A 58 -10.405 6.883 -13.556 1.00 3.03 C ATOM 0 HA PRO A 58 -9.485 4.976 -11.067 1.00 3.13 H new ATOM 0 HB2 PRO A 58 -7.520 5.307 -12.864 1.00 3.22 H new ATOM 0 HB3 PRO A 58 -8.944 4.422 -13.374 1.00 3.22 H new ATOM 0 HG2 PRO A 58 -8.292 7.381 -13.855 1.00 3.28 H new ATOM 0 HG3 PRO A 58 -8.907 6.216 -15.010 1.00 3.28 H new ATOM 0 HD2 PRO A 58 -10.574 7.958 -13.612 1.00 3.03 H new ATOM 0 HD3 PRO A 58 -11.128 6.412 -14.222 1.00 3.03 H new ATOM 818 N ILE A 59 -7.544 6.301 -10.186 1.00 2.98 N ATOM 819 CA ILE A 59 -6.555 7.034 -9.387 1.00 3.07 C ATOM 820 C ILE A 59 -5.171 6.481 -9.771 1.00 2.74 C ATOM 821 O ILE A 59 -4.477 5.870 -8.968 1.00 3.72 O ATOM 822 CB ILE A 59 -6.897 6.933 -7.872 1.00 3.42 C ATOM 823 CG1 ILE A 59 -8.351 7.354 -7.531 1.00 3.86 C ATOM 824 CG2 ILE A 59 -5.924 7.761 -7.008 1.00 3.65 C ATOM 825 CD1 ILE A 59 -8.692 8.836 -7.760 1.00 3.96 C ATOM 0 H ILE A 59 -7.445 5.291 -10.087 1.00 2.98 H new ATOM 0 HA ILE A 59 -6.562 8.104 -9.595 1.00 3.07 H new ATOM 0 HB ILE A 59 -6.792 5.874 -7.637 1.00 3.42 H new ATOM 0 HG12 ILE A 59 -9.033 6.748 -8.127 1.00 3.86 H new ATOM 0 HG13 ILE A 59 -8.542 7.115 -6.485 1.00 3.86 H new ATOM 0 HG21 ILE A 59 -6.197 7.664 -5.957 1.00 3.65 H new ATOM 0 HG22 ILE A 59 -4.907 7.396 -7.154 1.00 3.65 H new ATOM 0 HG23 ILE A 59 -5.979 8.809 -7.301 1.00 3.65 H new ATOM 0 HD11 ILE A 59 -9.732 9.016 -7.489 1.00 3.96 H new ATOM 0 HD12 ILE A 59 -8.043 9.458 -7.143 1.00 3.96 H new ATOM 0 HD13 ILE A 59 -8.542 9.086 -8.810 1.00 3.96 H new ATOM 837 N LYS A 60 -4.809 6.615 -11.053 1.00 1.81 N ATOM 838 CA LYS A 60 -3.633 5.973 -11.653 1.00 1.82 C ATOM 839 C LYS A 60 -2.299 6.283 -10.935 1.00 1.44 C ATOM 840 O LYS A 60 -1.621 7.276 -11.218 1.00 1.47 O ATOM 841 CB LYS A 60 -3.612 6.207 -13.179 1.00 2.49 C ATOM 842 CG LYS A 60 -3.782 7.670 -13.625 1.00 3.14 C ATOM 843 CD LYS A 60 -3.848 7.779 -15.157 1.00 3.83 C ATOM 844 CE LYS A 60 -4.229 9.201 -15.594 1.00 4.52 C ATOM 845 NZ LYS A 60 -3.137 10.173 -15.364 1.00 5.05 N ATOM 0 H LYS A 60 -5.336 7.184 -11.715 1.00 1.81 H new ATOM 0 HA LYS A 60 -3.735 4.899 -11.496 1.00 1.82 H new ATOM 0 HB2 LYS A 60 -2.668 5.832 -13.574 1.00 2.49 H new ATOM 0 HB3 LYS A 60 -4.406 5.612 -13.632 1.00 2.49 H new ATOM 0 HG2 LYS A 60 -4.692 8.083 -13.189 1.00 3.14 H new ATOM 0 HG3 LYS A 60 -2.950 8.266 -13.251 1.00 3.14 H new ATOM 0 HD2 LYS A 60 -2.883 7.510 -15.586 1.00 3.83 H new ATOM 0 HD3 LYS A 60 -4.578 7.068 -15.544 1.00 3.83 H new ATOM 0 HE2 LYS A 60 -4.490 9.195 -16.652 1.00 4.52 H new ATOM 0 HE3 LYS A 60 -5.117 9.520 -15.048 1.00 4.52 H new ATOM 0 HZ1 LYS A 60 -3.442 11.118 -15.675 1.00 5.05 H new ATOM 0 HZ2 LYS A 60 -2.904 10.200 -14.351 1.00 5.05 H new ATOM 0 HZ3 LYS A 60 -2.297 9.885 -15.905 1.00 5.05 H new ATOM 859 N LEU A 61 -1.930 5.412 -9.987 1.00 1.56 N ATOM 860 CA LEU A 61 -0.750 5.509 -9.112 1.00 1.43 C ATOM 861 C LEU A 61 0.546 5.084 -9.840 1.00 1.26 C ATOM 862 O LEU A 61 0.525 4.863 -11.047 1.00 2.20 O ATOM 863 CB LEU A 61 -1.013 4.635 -7.862 1.00 2.29 C ATOM 864 CG LEU A 61 -0.563 5.237 -6.516 1.00 2.89 C ATOM 865 CD1 LEU A 61 -1.478 6.408 -6.122 1.00 2.90 C ATOM 866 CD2 LEU A 61 -0.624 4.150 -5.436 1.00 4.36 C ATOM 0 H LEU A 61 -2.477 4.572 -9.798 1.00 1.56 H new ATOM 0 HA LEU A 61 -0.597 6.547 -8.817 1.00 1.43 H new ATOM 0 HB2 LEU A 61 -2.081 4.426 -7.806 1.00 2.29 H new ATOM 0 HB3 LEU A 61 -0.508 3.679 -7.998 1.00 2.29 H new ATOM 0 HG LEU A 61 0.457 5.609 -6.612 1.00 2.89 H new ATOM 0 HD11 LEU A 61 -1.148 6.823 -5.170 1.00 2.90 H new ATOM 0 HD12 LEU A 61 -1.432 7.180 -6.890 1.00 2.90 H new ATOM 0 HD13 LEU A 61 -2.504 6.052 -6.027 1.00 2.90 H new ATOM 0 HD21 LEU A 61 -0.307 4.568 -4.481 1.00 4.36 H new ATOM 0 HD22 LEU A 61 -1.646 3.780 -5.349 1.00 4.36 H new ATOM 0 HD23 LEU A 61 0.037 3.328 -5.709 1.00 4.36 H new ATOM 878 N VAL A 62 1.629 4.898 -9.083 1.00 1.03 N ATOM 879 CA VAL A 62 2.666 3.885 -9.369 1.00 1.23 C ATOM 880 C VAL A 62 2.782 2.896 -8.193 1.00 1.42 C ATOM 881 O VAL A 62 2.691 1.691 -8.410 1.00 2.09 O ATOM 882 CB VAL A 62 4.049 4.513 -9.645 1.00 1.52 C ATOM 883 CG1 VAL A 62 5.108 3.448 -9.991 1.00 2.44 C ATOM 884 CG2 VAL A 62 3.996 5.539 -10.781 1.00 2.54 C ATOM 0 H VAL A 62 1.820 5.447 -8.245 1.00 1.03 H new ATOM 0 HA VAL A 62 2.353 3.362 -10.273 1.00 1.23 H new ATOM 0 HB VAL A 62 4.335 5.015 -8.721 1.00 1.52 H new ATOM 0 HG11 VAL A 62 6.066 3.934 -10.178 1.00 2.44 H new ATOM 0 HG12 VAL A 62 5.210 2.753 -9.158 1.00 2.44 H new ATOM 0 HG13 VAL A 62 4.798 2.903 -10.883 1.00 2.44 H new ATOM 0 HG21 VAL A 62 4.990 5.956 -10.942 1.00 2.54 H new ATOM 0 HG22 VAL A 62 3.655 5.053 -11.695 1.00 2.54 H new ATOM 0 HG23 VAL A 62 3.305 6.340 -10.516 1.00 2.54 H new ATOM 894 N GLY A 63 2.921 3.378 -6.943 1.00 1.61 N ATOM 895 CA GLY A 63 2.892 2.527 -5.740 1.00 1.86 C ATOM 896 C GLY A 63 2.909 3.274 -4.404 1.00 1.48 C ATOM 897 O GLY A 63 2.554 4.447 -4.348 1.00 1.25 O ATOM 0 H GLY A 63 3.056 4.368 -6.740 1.00 1.61 H new ATOM 0 HA2 GLY A 63 1.997 1.905 -5.777 1.00 1.86 H new ATOM 0 HA3 GLY A 63 3.749 1.854 -5.771 1.00 1.86 H new ATOM 901 N ALA A 64 3.280 2.577 -3.328 1.00 1.65 N ATOM 902 CA ALA A 64 3.182 3.047 -1.946 1.00 1.43 C ATOM 903 C ALA A 64 4.526 2.885 -1.216 1.00 1.27 C ATOM 904 O ALA A 64 5.150 1.828 -1.323 1.00 1.54 O ATOM 905 CB ALA A 64 2.076 2.210 -1.282 1.00 1.94 C ATOM 0 H ALA A 64 3.670 1.637 -3.398 1.00 1.65 H new ATOM 0 HA ALA A 64 2.940 4.109 -1.904 1.00 1.43 H new ATOM 0 HB1 ALA A 64 1.959 2.520 -0.243 1.00 1.94 H new ATOM 0 HB2 ALA A 64 1.137 2.361 -1.814 1.00 1.94 H new ATOM 0 HB3 ALA A 64 2.347 1.155 -1.318 1.00 1.94 H new ATOM 911 N ALA A 65 4.966 3.913 -0.478 1.00 1.03 N ATOM 912 CA ALA A 65 6.223 3.927 0.284 1.00 0.97 C ATOM 913 C ALA A 65 6.155 4.890 1.498 1.00 0.89 C ATOM 914 O ALA A 65 5.095 5.433 1.801 1.00 0.88 O ATOM 915 CB ALA A 65 7.366 4.269 -0.690 1.00 1.13 C ATOM 0 H ALA A 65 4.442 4.784 -0.392 1.00 1.03 H new ATOM 0 HA ALA A 65 6.408 2.944 0.718 1.00 0.97 H new ATOM 0 HB1 ALA A 65 8.312 4.286 -0.149 1.00 1.13 H new ATOM 0 HB2 ALA A 65 7.411 3.516 -1.477 1.00 1.13 H new ATOM 0 HB3 ALA A 65 7.185 5.248 -1.135 1.00 1.13 H new ATOM 921 N THR A 66 7.276 5.100 2.205 1.00 0.99 N ATOM 922 CA THR A 66 7.376 5.906 3.442 1.00 1.11 C ATOM 923 C THR A 66 8.843 6.120 3.840 1.00 1.25 C ATOM 924 O THR A 66 9.650 5.230 3.566 1.00 1.38 O ATOM 925 CB THR A 66 6.592 5.242 4.594 1.00 1.20 C ATOM 926 OG1 THR A 66 6.609 6.085 5.716 1.00 1.52 O ATOM 927 CG2 THR A 66 7.188 3.906 5.044 1.00 1.50 C ATOM 0 H THR A 66 8.172 4.701 1.925 1.00 0.99 H new ATOM 0 HA THR A 66 6.932 6.882 3.244 1.00 1.11 H new ATOM 0 HB THR A 66 5.587 5.067 4.210 1.00 1.20 H new ATOM 0 HG1 THR A 66 5.768 6.586 5.762 1.00 1.52 H new ATOM 0 HG21 THR A 66 6.588 3.495 5.856 1.00 1.50 H new ATOM 0 HG22 THR A 66 7.192 3.209 4.206 1.00 1.50 H new ATOM 0 HG23 THR A 66 8.210 4.062 5.391 1.00 1.50 H new ATOM 935 N PRO A 67 9.198 7.237 4.508 1.00 1.30 N ATOM 936 CA PRO A 67 10.466 7.386 5.220 1.00 1.34 C ATOM 937 C PRO A 67 10.438 6.755 6.626 1.00 1.19 C ATOM 938 O PRO A 67 11.472 6.703 7.290 1.00 1.21 O ATOM 939 CB PRO A 67 10.676 8.902 5.308 1.00 1.54 C ATOM 940 CG PRO A 67 9.252 9.437 5.447 1.00 1.53 C ATOM 941 CD PRO A 67 8.446 8.489 4.558 1.00 1.41 C ATOM 0 HA PRO A 67 11.273 6.871 4.700 1.00 1.34 H new ATOM 0 HB2 PRO A 67 11.295 9.175 6.162 1.00 1.54 H new ATOM 0 HB3 PRO A 67 11.170 9.294 4.419 1.00 1.54 H new ATOM 0 HG2 PRO A 67 8.909 9.411 6.481 1.00 1.53 H new ATOM 0 HG3 PRO A 67 9.174 10.471 5.111 1.00 1.53 H new ATOM 0 HD2 PRO A 67 7.448 8.327 4.966 1.00 1.41 H new ATOM 0 HD3 PRO A 67 8.318 8.906 3.559 1.00 1.41 H new ATOM 949 N LEU A 68 9.277 6.292 7.116 1.00 1.13 N ATOM 950 CA LEU A 68 9.115 5.775 8.484 1.00 1.11 C ATOM 951 C LEU A 68 9.602 4.324 8.669 1.00 0.98 C ATOM 952 O LEU A 68 9.652 3.835 9.797 1.00 1.21 O ATOM 953 CB LEU A 68 7.651 5.958 8.930 1.00 1.36 C ATOM 954 CG LEU A 68 7.148 7.422 8.906 1.00 1.78 C ATOM 955 CD1 LEU A 68 5.683 7.462 9.359 1.00 2.65 C ATOM 956 CD2 LEU A 68 7.981 8.357 9.799 1.00 2.61 C ATOM 0 H LEU A 68 8.417 6.266 6.569 1.00 1.13 H new ATOM 0 HA LEU A 68 9.767 6.361 9.132 1.00 1.11 H new ATOM 0 HB2 LEU A 68 7.011 5.357 8.284 1.00 1.36 H new ATOM 0 HB3 LEU A 68 7.541 5.567 9.941 1.00 1.36 H new ATOM 0 HG LEU A 68 7.250 7.780 7.882 1.00 1.78 H new ATOM 0 HD11 LEU A 68 5.325 8.492 9.343 1.00 2.65 H new ATOM 0 HD12 LEU A 68 5.077 6.857 8.685 1.00 2.65 H new ATOM 0 HD13 LEU A 68 5.604 7.066 10.371 1.00 2.65 H new ATOM 0 HD21 LEU A 68 7.580 9.369 9.740 1.00 2.61 H new ATOM 0 HD22 LEU A 68 7.938 8.009 10.831 1.00 2.61 H new ATOM 0 HD23 LEU A 68 9.017 8.357 9.459 1.00 2.61 H new ATOM 968 N ALA A 69 10.035 3.658 7.592 1.00 0.96 N ATOM 969 CA ALA A 69 10.693 2.352 7.611 1.00 0.95 C ATOM 970 C ALA A 69 12.113 2.457 7.027 1.00 0.93 C ATOM 971 O ALA A 69 12.324 3.210 6.076 1.00 1.15 O ATOM 972 CB ALA A 69 9.828 1.384 6.799 1.00 1.12 C ATOM 0 H ALA A 69 9.931 4.031 6.648 1.00 0.96 H new ATOM 0 HA ALA A 69 10.795 1.988 8.633 1.00 0.95 H new ATOM 0 HB1 ALA A 69 10.292 0.398 6.794 1.00 1.12 H new ATOM 0 HB2 ALA A 69 8.838 1.316 7.249 1.00 1.12 H new ATOM 0 HB3 ALA A 69 9.737 1.748 5.776 1.00 1.12 H new ATOM 978 N THR A 70 13.066 1.687 7.572 1.00 0.89 N ATOM 979 CA THR A 70 14.458 1.623 7.088 1.00 0.96 C ATOM 980 C THR A 70 14.529 1.011 5.696 1.00 0.92 C ATOM 981 O THR A 70 15.230 1.529 4.841 1.00 1.04 O ATOM 982 CB THR A 70 15.359 0.834 8.044 1.00 1.13 C ATOM 983 OG1 THR A 70 15.182 1.351 9.337 1.00 1.60 O ATOM 984 CG2 THR A 70 16.847 0.967 7.712 1.00 1.46 C ATOM 0 H THR A 70 12.891 1.081 8.374 1.00 0.89 H new ATOM 0 HA THR A 70 14.821 2.650 7.044 1.00 0.96 H new ATOM 0 HB THR A 70 15.079 -0.216 7.957 1.00 1.13 H new ATOM 0 HG1 THR A 70 14.359 0.988 9.725 1.00 1.60 H new ATOM 0 HG21 THR A 70 17.432 0.386 8.425 1.00 1.46 H new ATOM 0 HG22 THR A 70 17.029 0.595 6.704 1.00 1.46 H new ATOM 0 HG23 THR A 70 17.141 2.015 7.771 1.00 1.46 H new ATOM 992 N SER A 71 13.776 -0.060 5.449 1.00 0.86 N ATOM 993 CA SER A 71 13.651 -0.669 4.120 1.00 0.94 C ATOM 994 C SER A 71 12.165 -0.831 3.765 1.00 0.85 C ATOM 995 O SER A 71 11.598 -1.898 4.026 1.00 0.85 O ATOM 996 CB SER A 71 14.381 -2.026 4.090 1.00 1.08 C ATOM 997 OG SER A 71 14.217 -2.705 2.849 1.00 1.95 O ATOM 0 H SER A 71 13.231 -0.535 6.169 1.00 0.86 H new ATOM 0 HA SER A 71 14.115 -0.021 3.376 1.00 0.94 H new ATOM 0 HB2 SER A 71 15.443 -1.868 4.277 1.00 1.08 H new ATOM 0 HB3 SER A 71 14.006 -2.655 4.897 1.00 1.08 H new ATOM 0 HG SER A 71 14.698 -3.558 2.877 1.00 1.95 H new ATOM 1003 N PRO A 72 11.503 0.187 3.177 1.00 0.89 N ATOM 1004 CA PRO A 72 10.130 0.047 2.712 1.00 0.90 C ATOM 1005 C PRO A 72 10.087 -0.957 1.552 1.00 0.86 C ATOM 1006 O PRO A 72 10.943 -0.935 0.668 1.00 1.01 O ATOM 1007 CB PRO A 72 9.680 1.456 2.311 1.00 1.03 C ATOM 1008 CG PRO A 72 10.988 2.144 1.919 1.00 1.08 C ATOM 1009 CD PRO A 72 12.023 1.508 2.850 1.00 1.03 C ATOM 0 HA PRO A 72 9.454 -0.346 3.472 1.00 0.90 H new ATOM 0 HB2 PRO A 72 8.974 1.432 1.481 1.00 1.03 H new ATOM 0 HB3 PRO A 72 9.186 1.970 3.135 1.00 1.03 H new ATOM 0 HG2 PRO A 72 11.233 1.972 0.871 1.00 1.08 H new ATOM 0 HG3 PRO A 72 10.931 3.223 2.060 1.00 1.08 H new ATOM 0 HD2 PRO A 72 12.995 1.436 2.363 1.00 1.03 H new ATOM 0 HD3 PRO A 72 12.161 2.108 3.750 1.00 1.03 H new ATOM 1017 N MET A 73 9.098 -1.854 1.574 1.00 0.91 N ATOM 1018 CA MET A 73 8.949 -2.952 0.617 1.00 1.02 C ATOM 1019 C MET A 73 7.541 -2.916 0.014 1.00 1.20 C ATOM 1020 O MET A 73 6.551 -2.716 0.717 1.00 1.64 O ATOM 1021 CB MET A 73 9.235 -4.268 1.362 1.00 1.17 C ATOM 1022 CG MET A 73 9.413 -5.499 0.463 1.00 1.54 C ATOM 1023 SD MET A 73 11.120 -5.890 -0.014 1.00 1.79 S ATOM 1024 CE MET A 73 11.472 -4.596 -1.230 1.00 3.23 C ATOM 0 H MET A 73 8.359 -1.836 2.277 1.00 0.91 H new ATOM 0 HA MET A 73 9.652 -2.861 -0.211 1.00 1.02 H new ATOM 0 HB2 MET A 73 10.137 -4.140 1.960 1.00 1.17 H new ATOM 0 HB3 MET A 73 8.417 -4.460 2.056 1.00 1.17 H new ATOM 0 HG2 MET A 73 8.992 -6.364 0.976 1.00 1.54 H new ATOM 0 HG3 MET A 73 8.827 -5.350 -0.444 1.00 1.54 H new ATOM 0 HE1 MET A 73 12.264 -4.931 -1.899 1.00 3.23 H new ATOM 0 HE2 MET A 73 10.573 -4.386 -1.809 1.00 3.23 H new ATOM 0 HE3 MET A 73 11.791 -3.690 -0.715 1.00 3.23 H new ATOM 1034 N LEU A 74 7.428 -3.095 -1.302 1.00 1.07 N ATOM 1035 CA LEU A 74 6.169 -2.939 -2.032 1.00 1.16 C ATOM 1036 C LEU A 74 5.978 -4.083 -3.027 1.00 1.21 C ATOM 1037 O LEU A 74 6.675 -4.166 -4.034 1.00 1.34 O ATOM 1038 CB LEU A 74 6.075 -1.517 -2.636 1.00 1.31 C ATOM 1039 CG LEU A 74 7.023 -1.101 -3.790 1.00 1.67 C ATOM 1040 CD1 LEU A 74 6.692 0.343 -4.202 1.00 2.61 C ATOM 1041 CD2 LEU A 74 8.520 -1.184 -3.454 1.00 2.50 C ATOM 0 H LEU A 74 8.215 -3.355 -1.897 1.00 1.07 H new ATOM 0 HA LEU A 74 5.322 -3.019 -1.351 1.00 1.16 H new ATOM 0 HB2 LEU A 74 5.053 -1.383 -2.991 1.00 1.31 H new ATOM 0 HB3 LEU A 74 6.225 -0.808 -1.822 1.00 1.31 H new ATOM 0 HG LEU A 74 6.852 -1.815 -4.595 1.00 1.67 H new ATOM 0 HD11 LEU A 74 7.351 0.650 -5.014 1.00 2.61 H new ATOM 0 HD12 LEU A 74 5.656 0.398 -4.536 1.00 2.61 H new ATOM 0 HD13 LEU A 74 6.834 1.006 -3.349 1.00 2.61 H new ATOM 0 HD21 LEU A 74 9.105 -0.875 -4.320 1.00 2.50 H new ATOM 0 HD22 LEU A 74 8.741 -0.527 -2.613 1.00 2.50 H new ATOM 0 HD23 LEU A 74 8.777 -2.210 -3.190 1.00 2.50 H new ATOM 1053 N MET A 75 5.048 -4.994 -2.736 1.00 1.23 N ATOM 1054 CA MET A 75 4.839 -6.204 -3.538 1.00 1.38 C ATOM 1055 C MET A 75 3.371 -6.462 -3.827 1.00 1.44 C ATOM 1056 O MET A 75 2.481 -5.918 -3.182 1.00 1.85 O ATOM 1057 CB MET A 75 5.489 -7.405 -2.820 1.00 1.51 C ATOM 1058 CG MET A 75 7.021 -7.297 -2.781 1.00 2.08 C ATOM 1059 SD MET A 75 7.837 -8.676 -1.940 1.00 2.15 S ATOM 1060 CE MET A 75 9.553 -8.232 -2.311 1.00 3.63 C ATOM 0 H MET A 75 4.418 -4.915 -1.938 1.00 1.23 H new ATOM 0 HA MET A 75 5.315 -6.058 -4.508 1.00 1.38 H new ATOM 0 HB2 MET A 75 5.105 -7.469 -1.802 1.00 1.51 H new ATOM 0 HB3 MET A 75 5.204 -8.327 -3.327 1.00 1.51 H new ATOM 0 HG2 MET A 75 7.396 -7.235 -3.802 1.00 2.08 H new ATOM 0 HG3 MET A 75 7.297 -6.367 -2.283 1.00 2.08 H new ATOM 0 HE1 MET A 75 10.214 -8.689 -1.575 1.00 3.63 H new ATOM 0 HE2 MET A 75 9.815 -8.591 -3.306 1.00 3.63 H new ATOM 0 HE3 MET A 75 9.664 -7.148 -2.275 1.00 3.63 H new ATOM 1070 N THR A 76 3.167 -7.310 -4.833 1.00 1.30 N ATOM 1071 CA THR A 76 1.895 -7.831 -5.319 1.00 1.28 C ATOM 1072 C THR A 76 2.187 -9.037 -6.211 1.00 1.36 C ATOM 1073 O THR A 76 3.260 -9.121 -6.805 1.00 1.62 O ATOM 1074 CB THR A 76 1.127 -6.809 -6.144 1.00 1.48 C ATOM 1075 OG1 THR A 76 1.996 -6.228 -7.081 1.00 2.56 O ATOM 1076 CG2 THR A 76 0.412 -5.706 -5.382 1.00 2.88 C ATOM 0 H THR A 76 3.951 -7.679 -5.371 1.00 1.30 H new ATOM 0 HA THR A 76 1.285 -8.093 -4.454 1.00 1.28 H new ATOM 0 HB THR A 76 0.325 -7.384 -6.606 1.00 1.48 H new ATOM 0 HG1 THR A 76 1.526 -6.107 -7.932 1.00 2.56 H new ATOM 0 HG21 THR A 76 -0.095 -5.047 -6.087 1.00 2.88 H new ATOM 0 HG22 THR A 76 -0.320 -6.147 -4.706 1.00 2.88 H new ATOM 0 HG23 THR A 76 1.138 -5.132 -4.806 1.00 2.88 H new ATOM 1084 N THR A 77 1.227 -9.948 -6.356 1.00 1.32 N ATOM 1085 CA THR A 77 1.276 -11.122 -7.236 1.00 1.46 C ATOM 1086 C THR A 77 -0.112 -11.379 -7.795 1.00 1.53 C ATOM 1087 O THR A 77 -1.086 -10.880 -7.231 1.00 2.35 O ATOM 1088 CB THR A 77 1.759 -12.368 -6.474 1.00 1.63 C ATOM 1089 OG1 THR A 77 1.321 -12.345 -5.141 1.00 2.30 O ATOM 1090 CG2 THR A 77 3.269 -12.562 -6.513 1.00 2.47 C ATOM 0 H THR A 77 0.350 -9.888 -5.839 1.00 1.32 H new ATOM 0 HA THR A 77 1.980 -10.922 -8.044 1.00 1.46 H new ATOM 0 HB THR A 77 1.315 -13.217 -6.995 1.00 1.63 H new ATOM 0 HG1 THR A 77 2.058 -12.063 -4.559 1.00 2.30 H new ATOM 0 HG21 THR A 77 3.535 -13.460 -5.955 1.00 2.47 H new ATOM 0 HG22 THR A 77 3.596 -12.668 -7.548 1.00 2.47 H new ATOM 0 HG23 THR A 77 3.759 -11.698 -6.064 1.00 2.47 H new ATOM 1098 N THR A 78 -0.178 -12.195 -8.854 1.00 1.56 N ATOM 1099 CA THR A 78 -1.371 -12.888 -9.406 1.00 1.74 C ATOM 1100 C THR A 78 -1.945 -12.025 -10.530 1.00 1.86 C ATOM 1101 O THR A 78 -1.195 -11.594 -11.406 1.00 3.04 O ATOM 1102 CB THR A 78 -2.417 -13.424 -8.378 1.00 3.10 C ATOM 1103 OG1 THR A 78 -3.160 -12.389 -7.756 1.00 3.52 O ATOM 1104 CG2 THR A 78 -1.759 -14.262 -7.272 1.00 5.10 C ATOM 0 H THR A 78 0.659 -12.411 -9.395 1.00 1.56 H new ATOM 0 HA THR A 78 -1.035 -13.841 -9.814 1.00 1.74 H new ATOM 0 HB THR A 78 -3.093 -14.045 -8.967 1.00 3.10 H new ATOM 0 HG1 THR A 78 -2.603 -11.587 -7.680 1.00 3.52 H new ATOM 0 HG21 THR A 78 -2.523 -14.614 -6.579 1.00 5.10 H new ATOM 0 HG22 THR A 78 -1.251 -15.117 -7.717 1.00 5.10 H new ATOM 0 HG23 THR A 78 -1.036 -13.650 -6.733 1.00 5.10 H new ATOM 1112 N HIS A 79 -3.279 -11.875 -10.543 1.00 1.79 N ATOM 1113 CA HIS A 79 -4.054 -11.230 -11.587 1.00 2.76 C ATOM 1114 C HIS A 79 -4.566 -9.903 -11.029 1.00 2.96 C ATOM 1115 O HIS A 79 -4.144 -9.489 -9.957 1.00 4.09 O ATOM 1116 CB HIS A 79 -5.156 -12.188 -12.115 1.00 4.11 C ATOM 1117 CG HIS A 79 -4.592 -13.469 -12.724 1.00 4.67 C ATOM 1118 ND1 HIS A 79 -5.243 -14.674 -12.864 1.00 5.63 N ATOM 1119 CD2 HIS A 79 -3.348 -13.666 -13.273 1.00 5.30 C ATOM 1120 CE1 HIS A 79 -4.438 -15.545 -13.498 1.00 6.49 C ATOM 1121 NE2 HIS A 79 -3.257 -14.974 -13.773 1.00 6.45 N ATOM 0 H HIS A 79 -3.865 -12.221 -9.783 1.00 1.79 H new ATOM 0 HA HIS A 79 -3.451 -11.002 -12.466 1.00 2.76 H new ATOM 0 HB2 HIS A 79 -5.827 -12.447 -11.296 1.00 4.11 H new ATOM 0 HB3 HIS A 79 -5.753 -11.668 -12.865 1.00 4.11 H new ATOM 0 HD2 HIS A 79 -2.561 -12.928 -13.314 1.00 5.30 H new ATOM 0 HE1 HIS A 79 -4.705 -16.561 -13.750 1.00 6.49 H new ATOM 0 HE2 HIS A 79 -2.460 -15.400 -14.246 1.00 6.45 H new ATOM 1129 N SER A 80 -5.468 -9.234 -11.750 1.00 2.72 N ATOM 1130 CA SER A 80 -6.156 -7.958 -11.407 1.00 3.25 C ATOM 1131 C SER A 80 -7.202 -7.599 -12.481 1.00 3.29 C ATOM 1132 O SER A 80 -8.269 -7.079 -12.161 1.00 4.39 O ATOM 1133 CB SER A 80 -5.154 -6.791 -11.299 1.00 3.92 C ATOM 1134 OG SER A 80 -4.369 -6.851 -10.125 1.00 4.84 O ATOM 0 H SER A 80 -5.769 -9.584 -12.659 1.00 2.72 H new ATOM 0 HA SER A 80 -6.643 -8.108 -10.443 1.00 3.25 H new ATOM 0 HB2 SER A 80 -4.499 -6.799 -12.170 1.00 3.92 H new ATOM 0 HB3 SER A 80 -5.699 -5.847 -11.319 1.00 3.92 H new ATOM 0 HG SER A 80 -4.408 -7.756 -9.751 1.00 4.84 H new ATOM 1140 N GLY A 81 -6.917 -7.911 -13.755 1.00 3.19 N ATOM 1141 CA GLY A 81 -7.820 -7.740 -14.903 1.00 3.63 C ATOM 1142 C GLY A 81 -7.071 -7.480 -16.215 1.00 3.79 C ATOM 1143 O GLY A 81 -6.698 -6.343 -16.499 1.00 4.70 O ATOM 0 H GLY A 81 -6.015 -8.305 -14.024 1.00 3.19 H new ATOM 0 HA2 GLY A 81 -8.435 -8.633 -15.012 1.00 3.63 H new ATOM 0 HA3 GLY A 81 -8.497 -6.909 -14.706 1.00 3.63 H new ATOM 1147 N GLY A 82 -6.820 -8.532 -17.006 1.00 3.63 N ATOM 1148 CA GLY A 82 -6.183 -8.465 -18.329 1.00 4.00 C ATOM 1149 C GLY A 82 -4.666 -8.568 -18.205 1.00 3.76 C ATOM 1150 O GLY A 82 -4.029 -9.292 -18.972 1.00 4.20 O ATOM 0 H GLY A 82 -7.063 -9.485 -16.734 1.00 3.63 H new ATOM 0 HA2 GLY A 82 -6.557 -9.272 -18.959 1.00 4.00 H new ATOM 0 HA3 GLY A 82 -6.450 -7.529 -18.819 1.00 4.00 H new ATOM 1154 N MET A 83 -4.120 -7.912 -17.176 1.00 3.35 N ATOM 1155 CA MET A 83 -2.737 -8.058 -16.744 1.00 3.05 C ATOM 1156 C MET A 83 -2.577 -8.984 -15.535 1.00 2.58 C ATOM 1157 O MET A 83 -3.491 -9.175 -14.722 1.00 2.70 O ATOM 1158 CB MET A 83 -2.099 -6.684 -16.456 1.00 3.30 C ATOM 1159 CG MET A 83 -1.460 -6.046 -17.692 1.00 4.13 C ATOM 1160 SD MET A 83 -2.603 -5.495 -18.981 1.00 5.18 S ATOM 1161 CE MET A 83 -1.412 -4.584 -19.990 1.00 6.14 C ATOM 0 H MET A 83 -4.647 -7.248 -16.609 1.00 3.35 H new ATOM 0 HA MET A 83 -2.210 -8.530 -17.574 1.00 3.05 H new ATOM 0 HB2 MET A 83 -2.861 -6.012 -16.061 1.00 3.30 H new ATOM 0 HB3 MET A 83 -1.341 -6.798 -15.681 1.00 3.30 H new ATOM 0 HG2 MET A 83 -0.868 -5.190 -17.369 1.00 4.13 H new ATOM 0 HG3 MET A 83 -0.768 -6.765 -18.131 1.00 4.13 H new ATOM 0 HE1 MET A 83 -1.920 -4.155 -20.854 1.00 6.14 H new ATOM 0 HE2 MET A 83 -0.968 -3.785 -19.396 1.00 6.14 H new ATOM 0 HE3 MET A 83 -0.629 -5.262 -20.329 1.00 6.14 H new ATOM 1171 N ALA A 84 -1.353 -9.500 -15.429 1.00 2.37 N ATOM 1172 CA ALA A 84 -0.798 -10.251 -14.311 1.00 2.04 C ATOM 1173 C ALA A 84 0.496 -9.580 -13.819 1.00 2.07 C ATOM 1174 O ALA A 84 1.093 -8.785 -14.548 1.00 2.55 O ATOM 1175 CB ALA A 84 -0.541 -11.690 -14.781 1.00 2.45 C ATOM 0 H ALA A 84 -0.674 -9.394 -16.183 1.00 2.37 H new ATOM 0 HA ALA A 84 -1.495 -10.267 -13.473 1.00 2.04 H new ATOM 0 HB1 ALA A 84 -0.125 -12.272 -13.959 1.00 2.45 H new ATOM 0 HB2 ALA A 84 -1.479 -12.140 -15.105 1.00 2.45 H new ATOM 0 HB3 ALA A 84 0.164 -11.681 -15.613 1.00 2.45 H new ATOM 1181 N GLY A 85 0.950 -9.902 -12.600 1.00 1.91 N ATOM 1182 CA GLY A 85 2.151 -9.334 -12.007 1.00 2.42 C ATOM 1183 C GLY A 85 2.765 -10.212 -10.923 1.00 1.85 C ATOM 1184 O GLY A 85 2.231 -11.249 -10.523 1.00 1.98 O ATOM 0 H GLY A 85 0.480 -10.576 -11.995 1.00 1.91 H new ATOM 0 HA2 GLY A 85 2.890 -9.167 -12.791 1.00 2.42 H new ATOM 0 HA3 GLY A 85 1.911 -8.359 -11.582 1.00 2.42 H new ATOM 1188 N MET A 86 3.922 -9.753 -10.472 1.00 2.18 N ATOM 1189 CA MET A 86 4.852 -10.471 -9.600 1.00 1.87 C ATOM 1190 C MET A 86 5.644 -9.544 -8.668 1.00 1.96 C ATOM 1191 O MET A 86 5.848 -8.356 -8.929 1.00 2.90 O ATOM 1192 CB MET A 86 5.782 -11.381 -10.433 1.00 2.64 C ATOM 1193 CG MET A 86 6.865 -10.639 -11.241 1.00 3.68 C ATOM 1194 SD MET A 86 6.299 -9.604 -12.616 1.00 5.41 S ATOM 1195 CE MET A 86 7.848 -8.728 -12.952 1.00 6.98 C ATOM 0 H MET A 86 4.260 -8.821 -10.714 1.00 2.18 H new ATOM 0 HA MET A 86 4.252 -11.100 -8.943 1.00 1.87 H new ATOM 0 HB2 MET A 86 6.271 -12.088 -9.762 1.00 2.64 H new ATOM 0 HB3 MET A 86 5.172 -11.965 -11.122 1.00 2.64 H new ATOM 0 HG2 MET A 86 7.430 -10.010 -10.553 1.00 3.68 H new ATOM 0 HG3 MET A 86 7.559 -11.380 -11.638 1.00 3.68 H new ATOM 0 HE1 MET A 86 7.701 -8.034 -13.779 1.00 6.98 H new ATOM 0 HE2 MET A 86 8.153 -8.175 -12.064 1.00 6.98 H new ATOM 0 HE3 MET A 86 8.623 -9.448 -13.215 1.00 6.98 H new ATOM 1205 N LYS A 87 6.114 -10.118 -7.563 1.00 1.75 N ATOM 1206 CA LYS A 87 6.523 -9.404 -6.350 1.00 2.30 C ATOM 1207 C LYS A 87 7.842 -8.599 -6.428 1.00 1.93 C ATOM 1208 O LYS A 87 8.805 -8.926 -5.743 1.00 2.83 O ATOM 1209 CB LYS A 87 6.425 -10.383 -5.159 1.00 3.91 C ATOM 1210 CG LYS A 87 7.237 -11.694 -5.263 1.00 4.56 C ATOM 1211 CD LYS A 87 6.632 -12.812 -4.397 1.00 6.42 C ATOM 1212 CE LYS A 87 6.633 -12.473 -2.900 1.00 7.60 C ATOM 1213 NZ LYS A 87 5.542 -13.173 -2.182 1.00 9.18 N ATOM 0 H LYS A 87 6.226 -11.129 -7.482 1.00 1.75 H new ATOM 0 HA LYS A 87 5.824 -8.581 -6.203 1.00 2.30 H new ATOM 0 HB2 LYS A 87 6.745 -9.856 -4.260 1.00 3.91 H new ATOM 0 HB3 LYS A 87 5.376 -10.644 -5.020 1.00 3.91 H new ATOM 0 HG2 LYS A 87 7.271 -12.018 -6.303 1.00 4.56 H new ATOM 0 HG3 LYS A 87 8.265 -11.510 -4.952 1.00 4.56 H new ATOM 0 HD2 LYS A 87 5.609 -13.002 -4.721 1.00 6.42 H new ATOM 0 HD3 LYS A 87 7.193 -13.733 -4.557 1.00 6.42 H new ATOM 0 HE2 LYS A 87 7.593 -12.750 -2.464 1.00 7.60 H new ATOM 0 HE3 LYS A 87 6.523 -11.396 -2.770 1.00 7.60 H new ATOM 0 HZ1 LYS A 87 5.065 -12.507 -1.541 1.00 9.18 H new ATOM 0 HZ2 LYS A 87 4.855 -13.543 -2.870 1.00 9.18 H new ATOM 0 HZ3 LYS A 87 5.939 -13.961 -1.631 1.00 9.18 H new ATOM 1227 N MET A 88 7.861 -7.511 -7.214 1.00 1.63 N ATOM 1228 CA MET A 88 8.885 -6.442 -7.168 1.00 1.97 C ATOM 1229 C MET A 88 8.317 -5.012 -7.060 1.00 2.02 C ATOM 1230 O MET A 88 9.056 -4.100 -6.689 1.00 3.44 O ATOM 1231 CB MET A 88 9.787 -6.518 -8.414 1.00 2.62 C ATOM 1232 CG MET A 88 10.888 -7.575 -8.286 1.00 3.25 C ATOM 1233 SD MET A 88 11.966 -7.639 -9.744 1.00 4.10 S ATOM 1234 CE MET A 88 13.455 -8.318 -8.977 1.00 5.29 C ATOM 0 H MET A 88 7.146 -7.341 -7.921 1.00 1.63 H new ATOM 0 HA MET A 88 9.448 -6.627 -6.253 1.00 1.97 H new ATOM 0 HB2 MET A 88 9.174 -6.742 -9.287 1.00 2.62 H new ATOM 0 HB3 MET A 88 10.244 -5.543 -8.586 1.00 2.62 H new ATOM 0 HG2 MET A 88 11.490 -7.362 -7.403 1.00 3.25 H new ATOM 0 HG3 MET A 88 10.432 -8.553 -8.133 1.00 3.25 H new ATOM 0 HE1 MET A 88 14.235 -8.428 -9.731 1.00 5.29 H new ATOM 0 HE2 MET A 88 13.800 -7.644 -8.193 1.00 5.29 H new ATOM 0 HE3 MET A 88 13.229 -9.292 -8.544 1.00 5.29 H new ATOM 1244 N VAL A 89 7.034 -4.821 -7.387 1.00 1.44 N ATOM 1245 CA VAL A 89 6.363 -3.511 -7.467 1.00 1.33 C ATOM 1246 C VAL A 89 4.841 -3.703 -7.624 1.00 1.29 C ATOM 1247 O VAL A 89 4.441 -4.664 -8.284 1.00 1.68 O ATOM 1248 CB VAL A 89 6.957 -2.651 -8.620 1.00 1.59 C ATOM 1249 CG1 VAL A 89 6.673 -3.226 -10.021 1.00 3.24 C ATOM 1250 CG2 VAL A 89 6.543 -1.173 -8.552 1.00 2.36 C ATOM 0 H VAL A 89 6.411 -5.597 -7.611 1.00 1.44 H new ATOM 0 HA VAL A 89 6.540 -2.968 -6.538 1.00 1.33 H new ATOM 0 HB VAL A 89 8.034 -2.698 -8.460 1.00 1.59 H new ATOM 0 HG11 VAL A 89 7.115 -2.577 -10.777 1.00 3.24 H new ATOM 0 HG12 VAL A 89 7.107 -4.223 -10.100 1.00 3.24 H new ATOM 0 HG13 VAL A 89 5.596 -3.285 -10.179 1.00 3.24 H new ATOM 0 HG21 VAL A 89 6.991 -0.631 -9.385 1.00 2.36 H new ATOM 0 HG22 VAL A 89 5.457 -1.096 -8.612 1.00 2.36 H new ATOM 0 HG23 VAL A 89 6.886 -0.742 -7.611 1.00 2.36 H new ATOM 1260 N PRO A 90 3.991 -2.835 -7.038 1.00 1.12 N ATOM 1261 CA PRO A 90 2.568 -2.742 -7.360 1.00 1.26 C ATOM 1262 C PRO A 90 2.375 -2.039 -8.718 1.00 1.63 C ATOM 1263 O PRO A 90 3.239 -2.112 -9.593 1.00 3.03 O ATOM 1264 CB PRO A 90 1.955 -2.005 -6.157 1.00 1.46 C ATOM 1265 CG PRO A 90 3.070 -1.049 -5.760 1.00 1.52 C ATOM 1266 CD PRO A 90 4.319 -1.899 -5.975 1.00 1.15 C ATOM 0 HA PRO A 90 2.072 -3.703 -7.494 1.00 1.26 H new ATOM 0 HB2 PRO A 90 1.042 -1.475 -6.427 1.00 1.46 H new ATOM 0 HB3 PRO A 90 1.699 -2.689 -5.348 1.00 1.46 H new ATOM 0 HG2 PRO A 90 3.077 -0.152 -6.380 1.00 1.52 H new ATOM 0 HG3 PRO A 90 2.975 -0.721 -4.725 1.00 1.52 H new ATOM 0 HD2 PRO A 90 5.171 -1.277 -6.252 1.00 1.15 H new ATOM 0 HD3 PRO A 90 4.593 -2.427 -5.062 1.00 1.15 H new ATOM 1274 N TRP A 91 1.239 -1.368 -8.931 1.00 1.22 N ATOM 1275 CA TRP A 91 0.885 -0.741 -10.204 1.00 1.48 C ATOM 1276 C TRP A 91 0.038 0.525 -10.029 1.00 1.83 C ATOM 1277 O TRP A 91 -0.343 0.894 -8.918 1.00 2.31 O ATOM 1278 CB TRP A 91 0.236 -1.788 -11.129 1.00 1.94 C ATOM 1279 CG TRP A 91 -0.525 -2.923 -10.511 1.00 2.03 C ATOM 1280 CD1 TRP A 91 -1.831 -2.903 -10.170 1.00 1.84 C ATOM 1281 CD2 TRP A 91 -0.047 -4.274 -10.208 1.00 2.67 C ATOM 1282 NE1 TRP A 91 -2.217 -4.173 -9.768 1.00 2.23 N ATOM 1283 CE2 TRP A 91 -1.154 -5.049 -9.753 1.00 2.77 C ATOM 1284 CE3 TRP A 91 1.204 -4.922 -10.284 1.00 3.33 C ATOM 1285 CZ2 TRP A 91 -1.026 -6.410 -9.421 1.00 3.46 C ATOM 1286 CZ3 TRP A 91 1.344 -6.283 -9.952 1.00 4.03 C ATOM 1287 CH2 TRP A 91 0.228 -7.030 -9.531 1.00 4.09 C ATOM 0 H TRP A 91 0.528 -1.244 -8.210 1.00 1.22 H new ATOM 0 HA TRP A 91 1.798 -0.388 -10.683 1.00 1.48 H new ATOM 0 HB2 TRP A 91 -0.443 -1.261 -11.799 1.00 1.94 H new ATOM 0 HB3 TRP A 91 1.025 -2.217 -11.747 1.00 1.94 H new ATOM 0 HD1 TRP A 91 -2.473 -2.036 -10.205 1.00 1.84 H new ATOM 0 HE1 TRP A 91 -3.172 -4.427 -9.514 1.00 2.23 H new ATOM 0 HE3 TRP A 91 2.071 -4.363 -10.603 1.00 3.33 H new ATOM 0 HZ2 TRP A 91 -1.885 -6.972 -9.085 1.00 3.46 H new ATOM 0 HZ3 TRP A 91 2.312 -6.756 -10.021 1.00 4.03 H new ATOM 0 HH2 TRP A 91 0.336 -8.078 -9.293 1.00 4.09 H new ATOM 1298 N LEU A 92 -0.283 1.199 -11.137 1.00 2.27 N ATOM 1299 CA LEU A 92 -1.352 2.192 -11.166 1.00 2.81 C ATOM 1300 C LEU A 92 -2.630 1.677 -10.471 1.00 2.27 C ATOM 1301 O LEU A 92 -3.215 0.679 -10.881 1.00 3.64 O ATOM 1302 CB LEU A 92 -1.568 2.735 -12.597 1.00 4.77 C ATOM 1303 CG LEU A 92 -2.404 1.883 -13.578 1.00 6.31 C ATOM 1304 CD1 LEU A 92 -2.614 2.670 -14.881 1.00 8.18 C ATOM 1305 CD2 LEU A 92 -1.751 0.533 -13.909 1.00 7.53 C ATOM 0 H LEU A 92 0.189 1.071 -12.032 1.00 2.27 H new ATOM 0 HA LEU A 92 -1.046 3.054 -10.573 1.00 2.81 H new ATOM 0 HB2 LEU A 92 -2.043 3.712 -12.515 1.00 4.77 H new ATOM 0 HB3 LEU A 92 -0.587 2.894 -13.045 1.00 4.77 H new ATOM 0 HG LEU A 92 -3.354 1.672 -13.087 1.00 6.31 H new ATOM 0 HD11 LEU A 92 -3.204 2.072 -15.576 1.00 8.18 H new ATOM 0 HD12 LEU A 92 -3.141 3.599 -14.664 1.00 8.18 H new ATOM 0 HD13 LEU A 92 -1.647 2.898 -15.328 1.00 8.18 H new ATOM 0 HD21 LEU A 92 -2.386 -0.018 -14.602 1.00 7.53 H new ATOM 0 HD22 LEU A 92 -0.776 0.703 -14.367 1.00 7.53 H new ATOM 0 HD23 LEU A 92 -1.626 -0.045 -12.993 1.00 7.53 H new ATOM 1317 N THR A 93 -3.054 2.351 -9.397 1.00 2.58 N ATOM 1318 CA THR A 93 -4.350 2.117 -8.758 1.00 3.90 C ATOM 1319 C THR A 93 -5.465 2.359 -9.754 1.00 3.20 C ATOM 1320 O THR A 93 -5.461 3.348 -10.475 1.00 3.99 O ATOM 1321 CB THR A 93 -4.459 2.936 -7.475 1.00 6.28 C ATOM 1322 OG1 THR A 93 -3.681 2.390 -6.447 1.00 7.51 O ATOM 1323 CG2 THR A 93 -5.865 3.091 -6.914 1.00 7.95 C ATOM 0 H THR A 93 -2.502 3.080 -8.944 1.00 2.58 H new ATOM 0 HA THR A 93 -4.445 1.076 -8.450 1.00 3.90 H new ATOM 0 HB THR A 93 -4.105 3.919 -7.787 1.00 6.28 H new ATOM 0 HG1 THR A 93 -3.755 2.951 -5.647 1.00 7.51 H new ATOM 0 HG21 THR A 93 -5.830 3.689 -6.003 1.00 7.95 H new ATOM 0 HG22 THR A 93 -6.498 3.587 -7.650 1.00 7.95 H new ATOM 0 HG23 THR A 93 -6.276 2.108 -6.686 1.00 7.95 H new ATOM 1331 N ILE A 94 -6.392 1.396 -9.761 1.00 3.06 N ATOM 1332 CA ILE A 94 -7.523 1.242 -10.687 1.00 2.38 C ATOM 1333 C ILE A 94 -7.149 1.627 -12.131 1.00 1.93 C ATOM 1334 O ILE A 94 -7.402 2.759 -12.534 1.00 2.26 O ATOM 1335 CB ILE A 94 -8.832 1.856 -10.104 1.00 2.85 C ATOM 1336 CG1 ILE A 94 -9.995 2.082 -11.087 1.00 3.55 C ATOM 1337 CG2 ILE A 94 -8.642 3.134 -9.278 1.00 3.69 C ATOM 1338 CD1 ILE A 94 -10.485 0.816 -11.777 1.00 4.56 C ATOM 0 H ILE A 94 -6.372 0.647 -9.069 1.00 3.06 H new ATOM 0 HA ILE A 94 -7.767 0.184 -10.781 1.00 2.38 H new ATOM 0 HB ILE A 94 -9.122 1.039 -9.444 1.00 2.85 H new ATOM 0 HG12 ILE A 94 -10.828 2.534 -10.549 1.00 3.55 H new ATOM 0 HG13 ILE A 94 -9.680 2.797 -11.847 1.00 3.55 H new ATOM 0 HG21 ILE A 94 -9.610 3.482 -8.918 1.00 3.69 H new ATOM 0 HG22 ILE A 94 -7.992 2.925 -8.428 1.00 3.69 H new ATOM 0 HG23 ILE A 94 -8.188 3.905 -9.900 1.00 3.69 H new ATOM 0 HD11 ILE A 94 -11.305 1.063 -12.452 1.00 4.56 H new ATOM 0 HD12 ILE A 94 -9.668 0.372 -12.346 1.00 4.56 H new ATOM 0 HD13 ILE A 94 -10.834 0.105 -11.028 1.00 4.56 H new ATOM 1350 N PRO A 95 -6.604 0.699 -12.946 1.00 2.04 N ATOM 1351 CA PRO A 95 -6.500 0.886 -14.388 1.00 2.67 C ATOM 1352 C PRO A 95 -7.897 0.916 -15.035 1.00 2.37 C ATOM 1353 O PRO A 95 -8.376 -0.099 -15.523 1.00 2.53 O ATOM 1354 CB PRO A 95 -5.611 -0.258 -14.895 1.00 3.48 C ATOM 1355 CG PRO A 95 -5.705 -1.336 -13.822 1.00 3.16 C ATOM 1356 CD PRO A 95 -5.986 -0.560 -12.542 1.00 2.42 C ATOM 0 HA PRO A 95 -6.052 1.843 -14.656 1.00 2.67 H new ATOM 0 HB2 PRO A 95 -5.958 -0.630 -15.859 1.00 3.48 H new ATOM 0 HB3 PRO A 95 -4.582 0.073 -15.033 1.00 3.48 H new ATOM 0 HG2 PRO A 95 -6.501 -2.048 -14.040 1.00 3.16 H new ATOM 0 HG3 PRO A 95 -4.779 -1.907 -13.748 1.00 3.16 H new ATOM 0 HD2 PRO A 95 -6.648 -1.123 -11.885 1.00 2.42 H new ATOM 0 HD3 PRO A 95 -5.065 -0.379 -11.988 1.00 2.42 H new ATOM 1364 N ALA A 96 -8.558 2.082 -14.980 1.00 2.66 N ATOM 1365 CA ALA A 96 -9.781 2.472 -15.700 1.00 2.83 C ATOM 1366 C ALA A 96 -10.759 1.326 -16.035 1.00 2.92 C ATOM 1367 O ALA A 96 -11.120 1.123 -17.190 1.00 3.87 O ATOM 1368 CB ALA A 96 -9.364 3.320 -16.911 1.00 3.60 C ATOM 0 H ALA A 96 -8.224 2.838 -14.382 1.00 2.66 H new ATOM 0 HA ALA A 96 -10.394 3.068 -15.024 1.00 2.83 H new ATOM 0 HB1 ALA A 96 -10.252 3.624 -17.465 1.00 3.60 H new ATOM 0 HB2 ALA A 96 -8.829 4.206 -16.568 1.00 3.60 H new ATOM 0 HB3 ALA A 96 -8.715 2.733 -17.560 1.00 3.60 H new ATOM 1374 N ARG A 97 -11.145 0.604 -14.966 1.00 2.58 N ATOM 1375 CA ARG A 97 -12.112 -0.510 -14.800 1.00 2.52 C ATOM 1376 C ARG A 97 -11.484 -1.729 -14.092 1.00 2.24 C ATOM 1377 O ARG A 97 -12.212 -2.566 -13.555 1.00 2.44 O ATOM 1378 CB ARG A 97 -12.814 -0.869 -16.125 1.00 2.77 C ATOM 1379 CG ARG A 97 -13.897 -1.954 -16.042 1.00 2.56 C ATOM 1380 CD ARG A 97 -13.349 -3.332 -16.435 1.00 2.97 C ATOM 1381 NE ARG A 97 -14.218 -4.422 -15.959 1.00 3.24 N ATOM 1382 CZ ARG A 97 -15.448 -4.699 -16.376 1.00 3.48 C ATOM 1383 NH1 ARG A 97 -16.019 -4.076 -17.387 1.00 3.82 N ATOM 1384 NH2 ARG A 97 -16.132 -5.658 -15.802 1.00 4.25 N ATOM 0 H ARG A 97 -10.724 0.819 -14.062 1.00 2.58 H new ATOM 0 HA ARG A 97 -12.897 -0.155 -14.133 1.00 2.52 H new ATOM 0 HB2 ARG A 97 -13.266 0.036 -16.531 1.00 2.77 H new ATOM 0 HB3 ARG A 97 -12.056 -1.194 -16.838 1.00 2.77 H new ATOM 0 HG2 ARG A 97 -14.294 -1.996 -15.028 1.00 2.56 H new ATOM 0 HG3 ARG A 97 -14.727 -1.691 -16.698 1.00 2.56 H new ATOM 0 HD2 ARG A 97 -13.254 -3.390 -17.519 1.00 2.97 H new ATOM 0 HD3 ARG A 97 -12.349 -3.457 -16.020 1.00 2.97 H new ATOM 0 HE ARG A 97 -13.835 -5.027 -15.233 1.00 3.24 H new ATOM 0 HH11 ARG A 97 -15.513 -3.345 -17.887 1.00 3.82 H new ATOM 0 HH12 ARG A 97 -16.967 -4.325 -17.670 1.00 3.82 H new ATOM 0 HH21 ARG A 97 -15.720 -6.191 -15.036 1.00 4.25 H new ATOM 0 HH22 ARG A 97 -17.077 -5.872 -16.121 1.00 4.25 H new ATOM 1398 N GLY A 98 -10.145 -1.798 -14.028 1.00 2.12 N ATOM 1399 CA GLY A 98 -9.381 -2.918 -13.443 1.00 1.99 C ATOM 1400 C GLY A 98 -9.093 -2.796 -11.937 1.00 1.98 C ATOM 1401 O GLY A 98 -8.976 -1.706 -11.380 1.00 3.22 O ATOM 0 H GLY A 98 -9.545 -1.057 -14.391 1.00 2.12 H new ATOM 0 HA2 GLY A 98 -9.931 -3.843 -13.618 1.00 1.99 H new ATOM 0 HA3 GLY A 98 -8.432 -3.006 -13.972 1.00 1.99 H new ATOM 1405 N THR A 99 -8.958 -3.935 -11.258 1.00 1.72 N ATOM 1406 CA THR A 99 -9.037 -4.057 -9.786 1.00 1.92 C ATOM 1407 C THR A 99 -7.645 -4.165 -9.152 1.00 1.72 C ATOM 1408 O THR A 99 -7.180 -5.244 -8.794 1.00 1.88 O ATOM 1409 CB THR A 99 -9.955 -5.245 -9.471 1.00 2.67 C ATOM 1410 OG1 THR A 99 -11.261 -4.794 -9.750 1.00 3.28 O ATOM 1411 CG2 THR A 99 -9.997 -5.837 -8.058 1.00 2.99 C ATOM 0 H THR A 99 -8.786 -4.828 -11.721 1.00 1.72 H new ATOM 0 HA THR A 99 -9.465 -3.158 -9.342 1.00 1.92 H new ATOM 0 HB THR A 99 -9.546 -6.060 -10.068 1.00 2.67 H new ATOM 0 HG1 THR A 99 -11.901 -5.514 -9.569 1.00 3.28 H new ATOM 0 HG21 THR A 99 -10.703 -6.667 -8.032 1.00 2.99 H new ATOM 0 HG22 THR A 99 -9.005 -6.196 -7.784 1.00 2.99 H new ATOM 0 HG23 THR A 99 -10.313 -5.070 -7.351 1.00 2.99 H new ATOM 1419 N LEU A 100 -6.974 -3.024 -8.976 1.00 1.61 N ATOM 1420 CA LEU A 100 -5.738 -2.954 -8.182 1.00 1.51 C ATOM 1421 C LEU A 100 -6.010 -3.394 -6.735 1.00 1.39 C ATOM 1422 O LEU A 100 -6.851 -2.816 -6.040 1.00 1.45 O ATOM 1423 CB LEU A 100 -5.030 -1.579 -8.284 1.00 1.76 C ATOM 1424 CG LEU A 100 -3.876 -1.462 -7.245 1.00 2.74 C ATOM 1425 CD1 LEU A 100 -2.625 -0.710 -7.719 1.00 3.46 C ATOM 1426 CD2 LEU A 100 -4.327 -0.830 -5.913 1.00 4.00 C ATOM 0 H LEU A 100 -7.265 -2.131 -9.373 1.00 1.61 H new ATOM 0 HA LEU A 100 -5.024 -3.658 -8.610 1.00 1.51 H new ATOM 0 HB2 LEU A 100 -4.632 -1.445 -9.290 1.00 1.76 H new ATOM 0 HB3 LEU A 100 -5.754 -0.781 -8.119 1.00 1.76 H new ATOM 0 HG LEU A 100 -3.599 -2.507 -7.103 1.00 2.74 H new ATOM 0 HD11 LEU A 100 -1.887 -0.689 -6.917 1.00 3.46 H new ATOM 0 HD12 LEU A 100 -2.203 -1.217 -8.587 1.00 3.46 H new ATOM 0 HD13 LEU A 100 -2.895 0.311 -7.990 1.00 3.46 H new ATOM 0 HD21 LEU A 100 -3.479 -0.776 -5.230 1.00 4.00 H new ATOM 0 HD22 LEU A 100 -4.709 0.174 -6.098 1.00 4.00 H new ATOM 0 HD23 LEU A 100 -5.112 -1.441 -5.468 1.00 4.00 H new ATOM 1438 N THR A 101 -5.227 -4.387 -6.300 1.00 1.40 N ATOM 1439 CA THR A 101 -5.406 -5.155 -5.073 1.00 1.43 C ATOM 1440 C THR A 101 -4.039 -5.399 -4.442 1.00 1.42 C ATOM 1441 O THR A 101 -3.187 -6.053 -5.040 1.00 2.14 O ATOM 1442 CB THR A 101 -6.080 -6.475 -5.457 1.00 2.20 C ATOM 1443 OG1 THR A 101 -7.340 -6.164 -6.007 1.00 2.80 O ATOM 1444 CG2 THR A 101 -6.294 -7.406 -4.260 1.00 2.72 C ATOM 0 H THR A 101 -4.408 -4.689 -6.827 1.00 1.40 H new ATOM 0 HA THR A 101 -6.024 -4.625 -4.348 1.00 1.43 H new ATOM 0 HB THR A 101 -5.430 -6.995 -6.161 1.00 2.20 H new ATOM 0 HG1 THR A 101 -7.221 -5.787 -6.904 1.00 2.80 H new ATOM 0 HG21 THR A 101 -6.775 -8.325 -4.595 1.00 2.72 H new ATOM 0 HG22 THR A 101 -5.331 -7.645 -3.808 1.00 2.72 H new ATOM 0 HG23 THR A 101 -6.928 -6.912 -3.524 1.00 2.72 H new ATOM 1452 N LEU A 102 -3.834 -4.863 -3.238 1.00 1.13 N ATOM 1453 CA LEU A 102 -2.661 -5.078 -2.393 1.00 1.47 C ATOM 1454 C LEU A 102 -3.157 -5.716 -1.090 1.00 1.14 C ATOM 1455 O LEU A 102 -3.381 -5.038 -0.082 1.00 1.17 O ATOM 1456 CB LEU A 102 -1.958 -3.730 -2.134 1.00 2.08 C ATOM 1457 CG LEU A 102 -0.944 -3.265 -3.192 1.00 2.86 C ATOM 1458 CD1 LEU A 102 -1.605 -2.841 -4.508 1.00 3.72 C ATOM 1459 CD2 LEU A 102 -0.133 -2.082 -2.639 1.00 3.61 C ATOM 0 H LEU A 102 -4.514 -4.238 -2.806 1.00 1.13 H new ATOM 0 HA LEU A 102 -1.934 -5.735 -2.870 1.00 1.47 H new ATOM 0 HB2 LEU A 102 -2.724 -2.961 -2.035 1.00 2.08 H new ATOM 0 HB3 LEU A 102 -1.444 -3.793 -1.175 1.00 2.08 H new ATOM 0 HG LEU A 102 -0.299 -4.117 -3.409 1.00 2.86 H new ATOM 0 HD11 LEU A 102 -0.838 -2.523 -5.214 1.00 3.72 H new ATOM 0 HD12 LEU A 102 -2.157 -3.683 -4.926 1.00 3.72 H new ATOM 0 HD13 LEU A 102 -2.291 -2.015 -4.321 1.00 3.72 H new ATOM 0 HD21 LEU A 102 0.586 -1.752 -3.389 1.00 3.61 H new ATOM 0 HD22 LEU A 102 -0.807 -1.261 -2.396 1.00 3.61 H new ATOM 0 HD23 LEU A 102 0.398 -2.394 -1.739 1.00 3.61 H new ATOM 1471 N GLN A 103 -3.317 -7.038 -1.113 1.00 1.06 N ATOM 1472 CA GLN A 103 -3.817 -7.868 -0.017 1.00 1.11 C ATOM 1473 C GLN A 103 -3.070 -9.191 0.018 1.00 1.31 C ATOM 1474 O GLN A 103 -2.572 -9.629 -1.014 1.00 1.41 O ATOM 1475 CB GLN A 103 -5.320 -8.153 -0.208 1.00 1.30 C ATOM 1476 CG GLN A 103 -6.262 -6.963 0.015 1.00 1.55 C ATOM 1477 CD GLN A 103 -6.237 -6.516 1.473 1.00 2.31 C ATOM 1478 OE1 GLN A 103 -7.112 -6.811 2.269 1.00 2.60 O ATOM 1479 NE2 GLN A 103 -5.200 -5.850 1.903 1.00 3.76 N ATOM 0 H GLN A 103 -3.089 -7.589 -1.941 1.00 1.06 H new ATOM 0 HA GLN A 103 -3.661 -7.331 0.919 1.00 1.11 H new ATOM 0 HB2 GLN A 103 -5.473 -8.528 -1.220 1.00 1.30 H new ATOM 0 HB3 GLN A 103 -5.608 -8.952 0.475 1.00 1.30 H new ATOM 0 HG2 GLN A 103 -5.967 -6.134 -0.629 1.00 1.55 H new ATOM 0 HG3 GLN A 103 -7.278 -7.240 -0.267 1.00 1.55 H new ATOM 0 HE21 GLN A 103 -4.455 -5.592 1.256 1.00 3.76 H new ATOM 0 HE22 GLN A 103 -5.134 -5.588 2.886 1.00 3.76 H new ATOM 1488 N ARG A 104 -3.049 -9.867 1.175 1.00 1.51 N ATOM 1489 CA ARG A 104 -2.474 -11.209 1.300 1.00 1.87 C ATOM 1490 C ARG A 104 -3.303 -12.307 0.586 1.00 2.17 C ATOM 1491 O ARG A 104 -2.974 -13.484 0.701 1.00 2.69 O ATOM 1492 CB ARG A 104 -2.171 -11.517 2.780 1.00 1.89 C ATOM 1493 CG ARG A 104 -0.810 -12.222 2.925 1.00 2.77 C ATOM 1494 CD ARG A 104 -0.507 -12.584 4.388 1.00 3.06 C ATOM 1495 NE ARG A 104 0.835 -13.177 4.575 1.00 4.19 N ATOM 1496 CZ ARG A 104 1.261 -14.358 4.142 1.00 4.82 C ATOM 1497 NH1 ARG A 104 0.512 -15.165 3.423 1.00 4.88 N ATOM 1498 NH2 ARG A 104 2.475 -14.755 4.439 1.00 6.13 N ATOM 0 H ARG A 104 -3.429 -9.498 2.047 1.00 1.51 H new ATOM 0 HA ARG A 104 -1.526 -11.219 0.763 1.00 1.87 H new ATOM 0 HB2 ARG A 104 -2.169 -10.591 3.356 1.00 1.89 H new ATOM 0 HB3 ARG A 104 -2.958 -12.148 3.193 1.00 1.89 H new ATOM 0 HG2 ARG A 104 -0.803 -13.127 2.318 1.00 2.77 H new ATOM 0 HG3 ARG A 104 -0.022 -11.574 2.540 1.00 2.77 H new ATOM 0 HD2 ARG A 104 -0.590 -11.687 5.002 1.00 3.06 H new ATOM 0 HD3 ARG A 104 -1.260 -13.286 4.746 1.00 3.06 H new ATOM 0 HE ARG A 104 1.509 -12.616 5.095 1.00 4.19 H new ATOM 0 HH11 ARG A 104 -0.439 -14.893 3.176 1.00 4.88 H new ATOM 0 HH12 ARG A 104 0.882 -16.063 3.113 1.00 4.88 H new ATOM 0 HH21 ARG A 104 3.084 -14.158 4.999 1.00 6.13 H new ATOM 0 HH22 ARG A 104 2.810 -15.661 4.110 1.00 6.13 H new ATOM 1512 N ASP A 105 -4.327 -11.909 -0.184 1.00 2.05 N ATOM 1513 CA ASP A 105 -4.844 -12.613 -1.367 1.00 2.28 C ATOM 1514 C ASP A 105 -3.691 -13.067 -2.284 1.00 1.97 C ATOM 1515 O ASP A 105 -3.759 -14.156 -2.850 1.00 2.18 O ATOM 1516 CB ASP A 105 -5.741 -11.665 -2.201 1.00 2.61 C ATOM 1517 CG ASP A 105 -7.090 -11.243 -1.598 1.00 3.25 C ATOM 1518 OD1 ASP A 105 -7.090 -10.863 -0.393 1.00 3.49 O ATOM 1519 OD2 ASP A 105 -8.085 -11.199 -2.345 1.00 4.30 O ATOM 0 H ASP A 105 -4.840 -11.049 0.010 1.00 2.05 H new ATOM 0 HA ASP A 105 -5.408 -13.475 -1.011 1.00 2.28 H new ATOM 0 HB2 ASP A 105 -5.170 -10.761 -2.410 1.00 2.61 H new ATOM 0 HB3 ASP A 105 -5.938 -12.146 -3.159 1.00 2.61 H new ATOM 1524 N GLY A 106 -2.641 -12.237 -2.412 1.00 1.83 N ATOM 1525 CA GLY A 106 -1.391 -12.570 -3.106 1.00 2.15 C ATOM 1526 C GLY A 106 -0.152 -11.994 -2.419 1.00 2.71 C ATOM 1527 O GLY A 106 0.776 -12.745 -2.124 1.00 3.80 O ATOM 0 H GLY A 106 -2.641 -11.293 -2.025 1.00 1.83 H new ATOM 0 HA2 GLY A 106 -1.294 -13.654 -3.168 1.00 2.15 H new ATOM 0 HA3 GLY A 106 -1.439 -12.196 -4.129 1.00 2.15 H new ATOM 1531 N ASP A 107 -0.142 -10.679 -2.165 1.00 2.30 N ATOM 1532 CA ASP A 107 0.994 -9.843 -1.767 1.00 2.88 C ATOM 1533 C ASP A 107 0.530 -8.373 -1.666 1.00 1.88 C ATOM 1534 O ASP A 107 -0.514 -7.977 -2.197 1.00 1.88 O ATOM 1535 CB ASP A 107 2.193 -9.962 -2.734 1.00 4.19 C ATOM 1536 CG ASP A 107 3.186 -11.097 -2.475 1.00 5.98 C ATOM 1537 OD1 ASP A 107 3.851 -11.110 -1.420 1.00 7.23 O ATOM 1538 OD2 ASP A 107 3.395 -11.908 -3.418 1.00 6.68 O ATOM 0 H ASP A 107 -0.998 -10.130 -2.239 1.00 2.30 H new ATOM 0 HA ASP A 107 1.343 -10.197 -0.797 1.00 2.88 H new ATOM 0 HB2 ASP A 107 1.802 -10.078 -3.745 1.00 4.19 H new ATOM 0 HB3 ASP A 107 2.742 -9.020 -2.711 1.00 4.19 H new ATOM 1543 N HIS A 108 1.323 -7.540 -0.988 1.00 1.54 N ATOM 1544 CA HIS A 108 0.967 -6.169 -0.634 1.00 1.07 C ATOM 1545 C HIS A 108 2.176 -5.303 -0.211 1.00 1.04 C ATOM 1546 O HIS A 108 3.324 -5.739 -0.264 1.00 1.26 O ATOM 1547 CB HIS A 108 -0.187 -6.195 0.393 1.00 1.54 C ATOM 1548 CG HIS A 108 0.056 -6.848 1.729 1.00 2.26 C ATOM 1549 ND1 HIS A 108 -0.150 -6.250 2.945 1.00 3.91 N ATOM 1550 CD2 HIS A 108 0.196 -8.191 1.964 1.00 2.55 C ATOM 1551 CE1 HIS A 108 -0.144 -7.205 3.887 1.00 4.50 C ATOM 1552 NE2 HIS A 108 0.081 -8.411 3.340 1.00 3.58 N ATOM 0 H HIS A 108 2.252 -7.809 -0.663 1.00 1.54 H new ATOM 0 HA HIS A 108 0.608 -5.660 -1.529 1.00 1.07 H new ATOM 0 HB2 HIS A 108 -0.490 -5.164 0.578 1.00 1.54 H new ATOM 0 HB3 HIS A 108 -1.034 -6.698 -0.073 1.00 1.54 H new ATOM 0 HD1 HIS A 108 -0.285 -5.252 3.106 1.00 3.91 H new ATOM 0 HD2 HIS A 108 0.366 -8.950 1.214 1.00 2.55 H new ATOM 0 HE1 HIS A 108 -0.299 -7.028 4.941 1.00 4.50 H new ATOM 1560 N VAL A 109 1.924 -4.056 0.197 1.00 1.13 N ATOM 1561 CA VAL A 109 2.933 -3.130 0.741 1.00 1.25 C ATOM 1562 C VAL A 109 3.274 -3.506 2.195 1.00 1.21 C ATOM 1563 O VAL A 109 2.408 -3.931 2.961 1.00 1.25 O ATOM 1564 CB VAL A 109 2.487 -1.654 0.568 1.00 1.56 C ATOM 1565 CG1 VAL A 109 1.079 -1.361 1.116 1.00 2.62 C ATOM 1566 CG2 VAL A 109 3.493 -0.657 1.168 1.00 1.63 C ATOM 0 H VAL A 109 0.990 -3.648 0.159 1.00 1.13 H new ATOM 0 HA VAL A 109 3.857 -3.227 0.171 1.00 1.25 H new ATOM 0 HB VAL A 109 2.453 -1.512 -0.512 1.00 1.56 H new ATOM 0 HG11 VAL A 109 0.839 -0.310 0.959 1.00 2.62 H new ATOM 0 HG12 VAL A 109 0.350 -1.982 0.596 1.00 2.62 H new ATOM 0 HG13 VAL A 109 1.050 -1.584 2.183 1.00 2.62 H new ATOM 0 HG21 VAL A 109 3.131 0.360 1.019 1.00 1.63 H new ATOM 0 HG22 VAL A 109 3.604 -0.850 2.235 1.00 1.63 H new ATOM 0 HG23 VAL A 109 4.459 -0.774 0.676 1.00 1.63 H new ATOM 1576 N MET A 110 4.555 -3.400 2.560 1.00 1.34 N ATOM 1577 CA MET A 110 5.137 -3.862 3.824 1.00 1.25 C ATOM 1578 C MET A 110 6.252 -2.928 4.280 1.00 1.06 C ATOM 1579 O MET A 110 7.208 -2.651 3.556 1.00 0.96 O ATOM 1580 CB MET A 110 5.675 -5.299 3.690 1.00 1.37 C ATOM 1581 CG MET A 110 4.625 -6.323 3.241 1.00 2.54 C ATOM 1582 SD MET A 110 5.203 -8.041 3.182 1.00 2.56 S ATOM 1583 CE MET A 110 5.574 -8.335 4.929 1.00 2.71 C ATOM 0 H MET A 110 5.250 -2.968 1.951 1.00 1.34 H new ATOM 0 HA MET A 110 4.347 -3.856 4.575 1.00 1.25 H new ATOM 0 HB2 MET A 110 6.498 -5.302 2.975 1.00 1.37 H new ATOM 0 HB3 MET A 110 6.085 -5.613 4.650 1.00 1.37 H new ATOM 0 HG2 MET A 110 3.772 -6.266 3.917 1.00 2.54 H new ATOM 0 HG3 MET A 110 4.266 -6.042 2.251 1.00 2.54 H new ATOM 0 HE1 MET A 110 6.654 -8.342 5.075 1.00 2.71 H new ATOM 0 HE2 MET A 110 5.131 -7.543 5.533 1.00 2.71 H new ATOM 0 HE3 MET A 110 5.160 -9.297 5.232 1.00 2.71 H new ATOM 1593 N LEU A 111 6.132 -2.415 5.501 1.00 1.11 N ATOM 1594 CA LEU A 111 7.023 -1.392 6.022 1.00 1.01 C ATOM 1595 C LEU A 111 8.005 -2.072 6.992 1.00 1.04 C ATOM 1596 O LEU A 111 7.695 -2.311 8.162 1.00 1.18 O ATOM 1597 CB LEU A 111 6.186 -0.228 6.590 1.00 1.25 C ATOM 1598 CG LEU A 111 5.221 0.513 5.632 1.00 1.46 C ATOM 1599 CD1 LEU A 111 5.803 0.724 4.225 1.00 2.98 C ATOM 1600 CD2 LEU A 111 3.837 -0.150 5.531 1.00 2.38 C ATOM 0 H LEU A 111 5.407 -2.702 6.159 1.00 1.11 H new ATOM 0 HA LEU A 111 7.642 -0.924 5.256 1.00 1.01 H new ATOM 0 HB2 LEU A 111 5.598 -0.615 7.422 1.00 1.25 H new ATOM 0 HB3 LEU A 111 6.876 0.508 7.003 1.00 1.25 H new ATOM 0 HG LEU A 111 5.092 1.493 6.092 1.00 1.46 H new ATOM 0 HD11 LEU A 111 5.076 1.249 3.605 1.00 2.98 H new ATOM 0 HD12 LEU A 111 6.715 1.316 4.294 1.00 2.98 H new ATOM 0 HD13 LEU A 111 6.031 -0.243 3.777 1.00 2.98 H new ATOM 0 HD21 LEU A 111 3.210 0.419 4.844 1.00 2.38 H new ATOM 0 HD22 LEU A 111 3.948 -1.169 5.161 1.00 2.38 H new ATOM 0 HD23 LEU A 111 3.370 -0.170 6.516 1.00 2.38 H new ATOM 1612 N MET A 112 9.162 -2.464 6.445 1.00 0.99 N ATOM 1613 CA MET A 112 10.131 -3.369 7.060 1.00 1.06 C ATOM 1614 C MET A 112 11.371 -2.615 7.551 1.00 0.89 C ATOM 1615 O MET A 112 11.786 -1.600 6.988 1.00 0.92 O ATOM 1616 CB MET A 112 10.448 -4.485 6.058 1.00 1.41 C ATOM 1617 CG MET A 112 11.327 -5.607 6.627 1.00 1.59 C ATOM 1618 SD MET A 112 11.546 -6.950 5.436 1.00 2.69 S ATOM 1619 CE MET A 112 12.857 -7.863 6.276 1.00 2.44 C ATOM 0 H MET A 112 9.458 -2.144 5.523 1.00 0.99 H new ATOM 0 HA MET A 112 9.711 -3.825 7.957 1.00 1.06 H new ATOM 0 HB2 MET A 112 9.512 -4.916 5.703 1.00 1.41 H new ATOM 0 HB3 MET A 112 10.948 -4.050 5.192 1.00 1.41 H new ATOM 0 HG2 MET A 112 12.301 -5.202 6.903 1.00 1.59 H new ATOM 0 HG3 MET A 112 10.874 -5.998 7.538 1.00 1.59 H new ATOM 0 HE1 MET A 112 13.129 -8.737 5.684 1.00 2.44 H new ATOM 0 HE2 MET A 112 13.729 -7.220 6.395 1.00 2.44 H new ATOM 0 HE3 MET A 112 12.506 -8.184 7.257 1.00 2.44 H new ATOM 1629 N GLY A 113 11.940 -3.068 8.672 1.00 0.90 N ATOM 1630 CA GLY A 113 12.957 -2.305 9.399 1.00 1.03 C ATOM 1631 C GLY A 113 12.324 -1.073 10.046 1.00 1.05 C ATOM 1632 O GLY A 113 12.859 0.023 9.954 1.00 1.38 O ATOM 0 H GLY A 113 11.711 -3.966 9.098 1.00 0.90 H new ATOM 0 HA2 GLY A 113 13.416 -2.932 10.163 1.00 1.03 H new ATOM 0 HA3 GLY A 113 13.751 -2.000 8.717 1.00 1.03 H new ATOM 1636 N LEU A 114 11.137 -1.228 10.624 1.00 0.99 N ATOM 1637 CA LEU A 114 10.431 -0.166 11.316 1.00 1.08 C ATOM 1638 C LEU A 114 11.159 0.215 12.625 1.00 1.31 C ATOM 1639 O LEU A 114 11.913 -0.556 13.205 1.00 2.30 O ATOM 1640 CB LEU A 114 8.963 -0.569 11.557 1.00 1.45 C ATOM 1641 CG LEU A 114 8.007 0.636 11.533 1.00 1.90 C ATOM 1642 CD1 LEU A 114 7.635 1.019 10.098 1.00 2.66 C ATOM 1643 CD2 LEU A 114 6.765 0.393 12.385 1.00 2.75 C ATOM 0 H LEU A 114 10.633 -2.115 10.622 1.00 0.99 H new ATOM 0 HA LEU A 114 10.425 0.725 10.688 1.00 1.08 H new ATOM 0 HB2 LEU A 114 8.657 -1.286 10.795 1.00 1.45 H new ATOM 0 HB3 LEU A 114 8.882 -1.073 12.520 1.00 1.45 H new ATOM 0 HG LEU A 114 8.537 1.479 11.975 1.00 1.90 H new ATOM 0 HD11 LEU A 114 6.959 1.874 10.113 1.00 2.66 H new ATOM 0 HD12 LEU A 114 8.538 1.280 9.546 1.00 2.66 H new ATOM 0 HD13 LEU A 114 7.144 0.176 9.612 1.00 2.66 H new ATOM 0 HD21 LEU A 114 6.116 1.268 12.341 1.00 2.75 H new ATOM 0 HD22 LEU A 114 6.228 -0.476 12.006 1.00 2.75 H new ATOM 0 HD23 LEU A 114 7.062 0.214 13.418 1.00 2.75 H new ATOM 1655 N LYS A 115 10.890 1.441 13.073 1.00 0.95 N ATOM 1656 CA LYS A 115 11.631 2.182 14.099 1.00 1.41 C ATOM 1657 C LYS A 115 10.740 2.873 15.160 1.00 1.56 C ATOM 1658 O LYS A 115 11.257 3.197 16.229 1.00 2.25 O ATOM 1659 CB LYS A 115 12.586 3.183 13.397 1.00 1.82 C ATOM 1660 CG LYS A 115 11.930 4.002 12.269 1.00 2.02 C ATOM 1661 CD LYS A 115 12.884 5.006 11.610 1.00 2.47 C ATOM 1662 CE LYS A 115 12.145 5.604 10.404 1.00 2.96 C ATOM 1663 NZ LYS A 115 12.865 6.730 9.765 1.00 3.81 N ATOM 0 H LYS A 115 10.102 1.977 12.709 1.00 0.95 H new ATOM 0 HA LYS A 115 12.206 1.458 14.676 1.00 1.41 H new ATOM 0 HB2 LYS A 115 12.986 3.870 14.143 1.00 1.82 H new ATOM 0 HB3 LYS A 115 13.432 2.632 12.985 1.00 1.82 H new ATOM 0 HG2 LYS A 115 11.551 3.320 11.508 1.00 2.02 H new ATOM 0 HG3 LYS A 115 11.071 4.539 12.672 1.00 2.02 H new ATOM 0 HD2 LYS A 115 13.168 5.788 12.315 1.00 2.47 H new ATOM 0 HD3 LYS A 115 13.803 4.513 11.293 1.00 2.47 H new ATOM 0 HE2 LYS A 115 11.982 4.821 9.663 1.00 2.96 H new ATOM 0 HE3 LYS A 115 11.162 5.948 10.725 1.00 2.96 H new ATOM 0 HZ1 LYS A 115 12.499 6.874 8.802 1.00 3.81 H new ATOM 0 HZ2 LYS A 115 12.721 7.596 10.323 1.00 3.81 H new ATOM 0 HZ3 LYS A 115 13.881 6.512 9.720 1.00 3.81 H new ATOM 1677 N ARG A 116 9.420 3.006 14.930 1.00 1.25 N ATOM 1678 CA ARG A 116 8.441 3.446 15.941 1.00 1.48 C ATOM 1679 C ARG A 116 7.098 2.674 15.802 1.00 1.11 C ATOM 1680 O ARG A 116 6.401 2.863 14.806 1.00 1.08 O ATOM 1681 CB ARG A 116 8.290 4.987 15.933 1.00 2.00 C ATOM 1682 CG ARG A 116 7.848 5.654 14.613 1.00 3.21 C ATOM 1683 CD ARG A 116 7.819 7.195 14.702 1.00 3.63 C ATOM 1684 NE ARG A 116 9.165 7.804 14.649 1.00 4.63 N ATOM 1685 CZ ARG A 116 9.876 8.296 15.658 1.00 5.12 C ATOM 1686 NH1 ARG A 116 9.377 8.530 16.853 1.00 4.96 N ATOM 1687 NH2 ARG A 116 11.129 8.626 15.437 1.00 6.47 N ATOM 0 H ARG A 116 8.998 2.808 14.023 1.00 1.25 H new ATOM 0 HA ARG A 116 8.818 3.192 16.932 1.00 1.48 H new ATOM 0 HB2 ARG A 116 7.569 5.258 16.704 1.00 2.00 H new ATOM 0 HB3 ARG A 116 9.247 5.420 16.224 1.00 2.00 H new ATOM 0 HG2 ARG A 116 8.526 5.353 13.814 1.00 3.21 H new ATOM 0 HG3 ARG A 116 6.856 5.291 14.342 1.00 3.21 H new ATOM 0 HD2 ARG A 116 7.216 7.589 13.884 1.00 3.63 H new ATOM 0 HD3 ARG A 116 7.329 7.490 15.630 1.00 3.63 H new ATOM 0 HE ARG A 116 9.600 7.852 13.728 1.00 4.63 H new ATOM 0 HH11 ARG A 116 8.395 8.332 17.043 1.00 4.96 H new ATOM 0 HH12 ARG A 116 9.973 8.909 17.589 1.00 4.96 H new ATOM 0 HH21 ARG A 116 11.533 8.502 14.509 1.00 6.47 H new ATOM 0 HH22 ARG A 116 11.697 9.006 16.194 1.00 6.47 H new ATOM 1701 N PRO A 117 6.752 1.757 16.735 1.00 1.35 N ATOM 1702 CA PRO A 117 5.597 0.857 16.616 1.00 1.38 C ATOM 1703 C PRO A 117 4.300 1.556 17.040 1.00 1.20 C ATOM 1704 O PRO A 117 4.319 2.367 17.966 1.00 1.67 O ATOM 1705 CB PRO A 117 5.916 -0.342 17.516 1.00 2.21 C ATOM 1706 CG PRO A 117 6.761 0.286 18.626 1.00 2.55 C ATOM 1707 CD PRO A 117 7.548 1.372 17.894 1.00 2.06 C ATOM 0 HA PRO A 117 5.435 0.544 15.584 1.00 1.38 H new ATOM 0 HB2 PRO A 117 5.011 -0.805 17.909 1.00 2.21 H new ATOM 0 HB3 PRO A 117 6.464 -1.117 16.979 1.00 2.21 H new ATOM 0 HG2 PRO A 117 6.139 0.704 19.418 1.00 2.55 H new ATOM 0 HG3 PRO A 117 7.422 -0.445 19.092 1.00 2.55 H new ATOM 0 HD2 PRO A 117 7.723 2.228 18.545 1.00 2.06 H new ATOM 0 HD3 PRO A 117 8.525 1.001 17.586 1.00 2.06 H new ATOM 1715 N LEU A 118 3.184 1.236 16.368 1.00 1.00 N ATOM 1716 CA LEU A 118 1.945 2.035 16.388 1.00 0.95 C ATOM 1717 C LEU A 118 0.688 1.258 16.838 1.00 0.98 C ATOM 1718 O LEU A 118 0.654 0.018 16.850 1.00 1.20 O ATOM 1719 CB LEU A 118 1.719 2.616 14.976 1.00 1.14 C ATOM 1720 CG LEU A 118 2.910 3.380 14.359 1.00 1.46 C ATOM 1721 CD1 LEU A 118 2.515 3.855 12.958 1.00 2.52 C ATOM 1722 CD2 LEU A 118 3.348 4.594 15.193 1.00 2.42 C ATOM 0 H LEU A 118 3.114 0.402 15.785 1.00 1.00 H new ATOM 0 HA LEU A 118 2.085 2.818 17.134 1.00 0.95 H new ATOM 0 HB2 LEU A 118 1.452 1.798 14.307 1.00 1.14 H new ATOM 0 HB3 LEU A 118 0.862 3.289 15.015 1.00 1.14 H new ATOM 0 HG LEU A 118 3.755 2.693 14.328 1.00 1.46 H new ATOM 0 HD11 LEU A 118 3.348 4.397 12.509 1.00 2.52 H new ATOM 0 HD12 LEU A 118 2.267 2.993 12.338 1.00 2.52 H new ATOM 0 HD13 LEU A 118 1.649 4.513 13.028 1.00 2.52 H new ATOM 0 HD21 LEU A 118 4.189 5.087 14.705 1.00 2.42 H new ATOM 0 HD22 LEU A 118 2.517 5.294 15.280 1.00 2.42 H new ATOM 0 HD23 LEU A 118 3.649 4.263 16.187 1.00 2.42 H new ATOM 1734 N LYS A 119 -0.370 2.014 17.165 1.00 0.96 N ATOM 1735 CA LYS A 119 -1.711 1.558 17.577 1.00 1.04 C ATOM 1736 C LYS A 119 -2.810 1.992 16.577 1.00 1.17 C ATOM 1737 O LYS A 119 -2.668 2.997 15.898 1.00 1.37 O ATOM 1738 CB LYS A 119 -1.992 2.098 19.002 1.00 1.26 C ATOM 1739 CG LYS A 119 -2.214 3.625 19.037 1.00 2.43 C ATOM 1740 CD LYS A 119 -1.902 4.283 20.390 1.00 3.00 C ATOM 1741 CE LYS A 119 -1.770 5.803 20.183 1.00 4.92 C ATOM 1742 NZ LYS A 119 -1.199 6.479 21.371 1.00 5.94 N ATOM 0 H LYS A 119 -0.310 3.032 17.148 1.00 0.96 H new ATOM 0 HA LYS A 119 -1.732 0.468 17.584 1.00 1.04 H new ATOM 0 HB2 LYS A 119 -2.873 1.599 19.406 1.00 1.26 H new ATOM 0 HB3 LYS A 119 -1.155 1.843 19.652 1.00 1.26 H new ATOM 0 HG2 LYS A 119 -1.592 4.088 18.270 1.00 2.43 H new ATOM 0 HG3 LYS A 119 -3.251 3.835 18.776 1.00 2.43 H new ATOM 0 HD2 LYS A 119 -2.694 4.067 21.107 1.00 3.00 H new ATOM 0 HD3 LYS A 119 -0.979 3.877 20.803 1.00 3.00 H new ATOM 0 HE2 LYS A 119 -1.137 5.997 19.317 1.00 4.92 H new ATOM 0 HE3 LYS A 119 -2.750 6.225 19.962 1.00 4.92 H new ATOM 0 HZ1 LYS A 119 -1.128 7.500 21.188 1.00 5.94 H new ATOM 0 HZ2 LYS A 119 -1.815 6.316 22.193 1.00 5.94 H new ATOM 0 HZ3 LYS A 119 -0.252 6.096 21.567 1.00 5.94 H new ATOM 1756 N VAL A 120 -3.944 1.284 16.543 1.00 1.42 N ATOM 1757 CA VAL A 120 -5.081 1.437 15.591 1.00 1.84 C ATOM 1758 C VAL A 120 -5.385 2.888 15.162 1.00 2.14 C ATOM 1759 O VAL A 120 -4.985 3.330 14.092 1.00 3.21 O ATOM 1760 CB VAL A 120 -6.337 0.655 16.077 1.00 2.26 C ATOM 1761 CG1 VAL A 120 -6.688 0.861 17.563 1.00 2.52 C ATOM 1762 CG2 VAL A 120 -7.593 0.901 15.218 1.00 3.51 C ATOM 0 H VAL A 120 -4.116 0.538 17.217 1.00 1.42 H new ATOM 0 HA VAL A 120 -4.748 0.974 14.662 1.00 1.84 H new ATOM 0 HB VAL A 120 -6.029 -0.383 15.953 1.00 2.26 H new ATOM 0 HG11 VAL A 120 -7.575 0.279 17.811 1.00 2.52 H new ATOM 0 HG12 VAL A 120 -5.854 0.533 18.183 1.00 2.52 H new ATOM 0 HG13 VAL A 120 -6.884 1.917 17.748 1.00 2.52 H new ATOM 0 HG21 VAL A 120 -8.426 0.323 15.618 1.00 3.51 H new ATOM 0 HG22 VAL A 120 -7.845 1.961 15.237 1.00 3.51 H new ATOM 0 HG23 VAL A 120 -7.397 0.593 14.191 1.00 3.51 H new ATOM 1772 N GLY A 121 -6.061 3.660 16.000 1.00 1.81 N ATOM 1773 CA GLY A 121 -6.529 5.013 15.670 1.00 2.03 C ATOM 1774 C GLY A 121 -5.447 6.062 15.357 1.00 1.87 C ATOM 1775 O GLY A 121 -5.792 7.195 15.039 1.00 2.11 O ATOM 0 H GLY A 121 -6.308 3.366 16.945 1.00 1.81 H new ATOM 0 HA2 GLY A 121 -7.194 4.942 14.809 1.00 2.03 H new ATOM 0 HA3 GLY A 121 -7.127 5.379 16.505 1.00 2.03 H new ATOM 1779 N GLU A 122 -4.159 5.721 15.431 1.00 1.63 N ATOM 1780 CA GLU A 122 -3.021 6.593 15.127 1.00 1.47 C ATOM 1781 C GLU A 122 -2.918 6.936 13.625 1.00 1.44 C ATOM 1782 O GLU A 122 -3.388 6.186 12.760 1.00 1.52 O ATOM 1783 CB GLU A 122 -1.769 5.869 15.659 1.00 1.27 C ATOM 1784 CG GLU A 122 -0.499 6.701 15.837 1.00 1.30 C ATOM 1785 CD GLU A 122 0.341 6.182 17.015 1.00 1.34 C ATOM 1786 OE1 GLU A 122 0.474 4.952 17.228 1.00 2.13 O ATOM 1787 OE2 GLU A 122 0.803 7.032 17.806 1.00 2.35 O ATOM 0 H GLU A 122 -3.867 4.787 15.718 1.00 1.63 H new ATOM 0 HA GLU A 122 -3.139 7.563 15.610 1.00 1.47 H new ATOM 0 HB2 GLU A 122 -2.020 5.426 16.623 1.00 1.27 H new ATOM 0 HB3 GLU A 122 -1.541 5.047 14.980 1.00 1.27 H new ATOM 0 HG2 GLU A 122 0.092 6.668 14.922 1.00 1.30 H new ATOM 0 HG3 GLU A 122 -0.765 7.744 16.007 1.00 1.30 H new ATOM 1794 N THR A 123 -2.298 8.087 13.324 1.00 1.53 N ATOM 1795 CA THR A 123 -1.998 8.586 11.968 1.00 1.66 C ATOM 1796 C THR A 123 -0.568 8.225 11.586 1.00 1.28 C ATOM 1797 O THR A 123 0.341 8.510 12.359 1.00 1.41 O ATOM 1798 CB THR A 123 -2.143 10.115 11.902 1.00 2.27 C ATOM 1799 OG1 THR A 123 -1.280 10.725 12.841 1.00 3.60 O ATOM 1800 CG2 THR A 123 -3.569 10.588 12.183 1.00 2.73 C ATOM 0 H THR A 123 -1.976 8.727 14.051 1.00 1.53 H new ATOM 0 HA THR A 123 -2.705 8.124 11.279 1.00 1.66 H new ATOM 0 HB THR A 123 -1.882 10.405 10.884 1.00 2.27 H new ATOM 0 HG1 THR A 123 -0.442 10.220 12.891 1.00 3.60 H new ATOM 0 HG21 THR A 123 -3.610 11.676 12.123 1.00 2.73 H new ATOM 0 HG22 THR A 123 -4.247 10.158 11.446 1.00 2.73 H new ATOM 0 HG23 THR A 123 -3.868 10.269 13.181 1.00 2.73 H new ATOM 1808 N VAL A 124 -0.350 7.695 10.389 1.00 1.00 N ATOM 1809 CA VAL A 124 0.977 7.316 9.876 1.00 0.92 C ATOM 1810 C VAL A 124 1.161 7.799 8.435 1.00 0.96 C ATOM 1811 O VAL A 124 0.221 7.819 7.649 1.00 1.10 O ATOM 1812 CB VAL A 124 1.219 5.799 10.052 1.00 1.10 C ATOM 1813 CG1 VAL A 124 0.221 4.912 9.295 1.00 1.96 C ATOM 1814 CG2 VAL A 124 2.654 5.383 9.689 1.00 2.35 C ATOM 0 H VAL A 124 -1.103 7.509 9.726 1.00 1.00 H new ATOM 0 HA VAL A 124 1.745 7.818 10.465 1.00 0.92 H new ATOM 0 HB VAL A 124 1.059 5.631 11.117 1.00 1.10 H new ATOM 0 HG11 VAL A 124 0.460 3.863 9.471 1.00 1.96 H new ATOM 0 HG12 VAL A 124 -0.789 5.118 9.648 1.00 1.96 H new ATOM 0 HG13 VAL A 124 0.283 5.124 8.228 1.00 1.96 H new ATOM 0 HG21 VAL A 124 2.768 4.308 9.831 1.00 2.35 H new ATOM 0 HG22 VAL A 124 2.853 5.635 8.647 1.00 2.35 H new ATOM 0 HG23 VAL A 124 3.359 5.911 10.331 1.00 2.35 H new ATOM 1824 N ASN A 125 2.370 8.251 8.106 1.00 1.01 N ATOM 1825 CA ASN A 125 2.660 9.019 6.896 1.00 1.02 C ATOM 1826 C ASN A 125 3.146 8.110 5.752 1.00 1.02 C ATOM 1827 O ASN A 125 4.211 7.485 5.820 1.00 1.17 O ATOM 1828 CB ASN A 125 3.655 10.141 7.247 1.00 1.09 C ATOM 1829 CG ASN A 125 3.187 10.958 8.448 1.00 1.30 C ATOM 1830 OD1 ASN A 125 3.355 10.563 9.594 1.00 2.34 O ATOM 1831 ND2 ASN A 125 2.532 12.076 8.212 1.00 1.91 N ATOM 0 H ASN A 125 3.193 8.090 8.686 1.00 1.01 H new ATOM 0 HA ASN A 125 1.747 9.482 6.522 1.00 1.02 H new ATOM 0 HB2 ASN A 125 4.632 9.707 7.461 1.00 1.09 H new ATOM 0 HB3 ASN A 125 3.780 10.798 6.387 1.00 1.09 H new ATOM 0 HD21 ASN A 125 2.159 12.622 8.988 1.00 1.91 H new ATOM 0 HD22 ASN A 125 2.398 12.396 7.253 1.00 1.91 H new ATOM 1838 N ILE A 126 2.344 8.025 4.686 1.00 1.05 N ATOM 1839 CA ILE A 126 2.591 7.237 3.468 1.00 1.05 C ATOM 1840 C ILE A 126 2.765 8.188 2.270 1.00 1.01 C ATOM 1841 O ILE A 126 2.074 9.210 2.181 1.00 1.08 O ATOM 1842 CB ILE A 126 1.450 6.192 3.302 1.00 1.12 C ATOM 1843 CG1 ILE A 126 1.809 5.023 2.364 1.00 1.91 C ATOM 1844 CG2 ILE A 126 0.091 6.802 2.920 1.00 1.16 C ATOM 1845 CD1 ILE A 126 1.581 5.258 0.866 1.00 2.82 C ATOM 0 H ILE A 126 1.458 8.529 4.644 1.00 1.05 H new ATOM 0 HA ILE A 126 3.519 6.670 3.535 1.00 1.05 H new ATOM 0 HB ILE A 126 1.340 5.778 4.304 1.00 1.12 H new ATOM 0 HG12 ILE A 126 2.859 4.774 2.515 1.00 1.91 H new ATOM 0 HG13 ILE A 126 1.228 4.152 2.666 1.00 1.91 H new ATOM 0 HG21 ILE A 126 -0.650 6.008 2.824 1.00 1.16 H new ATOM 0 HG22 ILE A 126 -0.225 7.501 3.695 1.00 1.16 H new ATOM 0 HG23 ILE A 126 0.183 7.330 1.971 1.00 1.16 H new ATOM 0 HD11 ILE A 126 1.870 4.366 0.310 1.00 2.82 H new ATOM 0 HD12 ILE A 126 0.527 5.472 0.688 1.00 2.82 H new ATOM 0 HD13 ILE A 126 2.184 6.103 0.534 1.00 2.82 H new ATOM 1857 N THR A 127 3.693 7.852 1.362 1.00 0.98 N ATOM 1858 CA THR A 127 4.029 8.613 0.149 1.00 0.96 C ATOM 1859 C THR A 127 3.621 7.817 -1.101 1.00 0.96 C ATOM 1860 O THR A 127 3.999 6.643 -1.205 1.00 1.10 O ATOM 1861 CB THR A 127 5.524 8.976 0.144 1.00 1.03 C ATOM 1862 OG1 THR A 127 5.928 9.464 1.412 1.00 1.38 O ATOM 1863 CG2 THR A 127 5.776 10.097 -0.860 1.00 1.48 C ATOM 0 H THR A 127 4.254 7.006 1.457 1.00 0.98 H new ATOM 0 HA THR A 127 3.470 9.549 0.139 1.00 0.96 H new ATOM 0 HB THR A 127 6.081 8.075 -0.112 1.00 1.03 H new ATOM 0 HG1 THR A 127 6.882 9.687 1.388 1.00 1.38 H new ATOM 0 HG21 THR A 127 6.836 10.352 -0.862 1.00 1.48 H new ATOM 0 HG22 THR A 127 5.481 9.767 -1.856 1.00 1.48 H new ATOM 0 HG23 THR A 127 5.192 10.974 -0.581 1.00 1.48 H new ATOM 1871 N LEU A 128 2.843 8.410 -2.035 1.00 1.00 N ATOM 1872 CA LEU A 128 2.160 7.634 -3.094 1.00 0.99 C ATOM 1873 C LEU A 128 2.037 8.346 -4.459 1.00 1.36 C ATOM 1874 O LEU A 128 0.997 8.311 -5.113 1.00 2.98 O ATOM 1875 CB LEU A 128 0.843 7.032 -2.542 1.00 1.38 C ATOM 1876 CG LEU A 128 -0.173 7.960 -1.835 1.00 1.28 C ATOM 1877 CD1 LEU A 128 -0.750 9.055 -2.742 1.00 2.39 C ATOM 1878 CD2 LEU A 128 -1.335 7.105 -1.297 1.00 1.95 C ATOM 0 H LEU A 128 2.674 9.415 -2.077 1.00 1.00 H new ATOM 0 HA LEU A 128 2.813 6.801 -3.356 1.00 0.99 H new ATOM 0 HB2 LEU A 128 0.327 6.554 -3.374 1.00 1.38 H new ATOM 0 HB3 LEU A 128 1.112 6.244 -1.839 1.00 1.38 H new ATOM 0 HG LEU A 128 0.369 8.465 -1.036 1.00 1.28 H new ATOM 0 HD11 LEU A 128 -1.454 9.664 -2.175 1.00 2.39 H new ATOM 0 HD12 LEU A 128 0.059 9.685 -3.112 1.00 2.39 H new ATOM 0 HD13 LEU A 128 -1.266 8.595 -3.585 1.00 2.39 H new ATOM 0 HD21 LEU A 128 -2.058 7.748 -0.796 1.00 1.95 H new ATOM 0 HD22 LEU A 128 -1.821 6.589 -2.125 1.00 1.95 H new ATOM 0 HD23 LEU A 128 -0.950 6.372 -0.588 1.00 1.95 H new ATOM 1890 N LYS A 129 3.147 8.941 -4.924 1.00 0.93 N ATOM 1891 CA LYS A 129 3.268 9.605 -6.230 1.00 1.04 C ATOM 1892 C LYS A 129 2.605 8.798 -7.367 1.00 0.97 C ATOM 1893 O LYS A 129 2.944 7.644 -7.658 1.00 1.11 O ATOM 1894 CB LYS A 129 4.745 9.884 -6.575 1.00 1.50 C ATOM 1895 CG LYS A 129 5.369 11.125 -5.920 1.00 2.16 C ATOM 1896 CD LYS A 129 6.712 11.579 -6.528 1.00 2.73 C ATOM 1897 CE LYS A 129 7.766 10.466 -6.660 1.00 2.63 C ATOM 1898 NZ LYS A 129 9.126 11.013 -6.922 1.00 3.24 N ATOM 0 H LYS A 129 4.012 8.974 -4.384 1.00 0.93 H new ATOM 0 HA LYS A 129 2.736 10.552 -6.144 1.00 1.04 H new ATOM 0 HB2 LYS A 129 5.334 9.013 -6.290 1.00 1.50 H new ATOM 0 HB3 LYS A 129 4.831 9.987 -7.657 1.00 1.50 H new ATOM 0 HG2 LYS A 129 4.659 11.949 -5.989 1.00 2.16 H new ATOM 0 HG3 LYS A 129 5.518 10.921 -4.860 1.00 2.16 H new ATOM 0 HD2 LYS A 129 6.524 12.002 -7.515 1.00 2.73 H new ATOM 0 HD3 LYS A 129 7.123 12.379 -5.912 1.00 2.73 H new ATOM 0 HE2 LYS A 129 7.784 9.873 -5.745 1.00 2.63 H new ATOM 0 HE3 LYS A 129 7.484 9.794 -7.470 1.00 2.63 H new ATOM 0 HZ1 LYS A 129 9.805 10.230 -7.004 1.00 3.24 H new ATOM 0 HZ2 LYS A 129 9.116 11.557 -7.808 1.00 3.24 H new ATOM 0 HZ3 LYS A 129 9.407 11.634 -6.137 1.00 3.24 H new ATOM 1912 N ALA A 130 1.654 9.443 -8.038 1.00 1.31 N ATOM 1913 CA ALA A 130 1.089 8.963 -9.301 1.00 1.52 C ATOM 1914 C ALA A 130 2.143 8.895 -10.426 1.00 1.60 C ATOM 1915 O ALA A 130 3.240 9.432 -10.279 1.00 1.76 O ATOM 1916 CB ALA A 130 -0.104 9.851 -9.668 1.00 1.91 C ATOM 0 H ALA A 130 1.248 10.323 -7.719 1.00 1.31 H new ATOM 0 HA ALA A 130 0.744 7.937 -9.175 1.00 1.52 H new ATOM 0 HB1 ALA A 130 -0.538 9.508 -10.607 1.00 1.91 H new ATOM 0 HB2 ALA A 130 -0.855 9.796 -8.880 1.00 1.91 H new ATOM 0 HB3 ALA A 130 0.231 10.882 -9.778 1.00 1.91 H new ATOM 1922 N THR A 131 1.786 8.255 -11.551 1.00 1.69 N ATOM 1923 CA THR A 131 2.650 8.085 -12.744 1.00 1.92 C ATOM 1924 C THR A 131 3.089 9.408 -13.386 1.00 2.02 C ATOM 1925 O THR A 131 4.133 9.450 -14.030 1.00 2.47 O ATOM 1926 CB THR A 131 1.966 7.139 -13.750 1.00 2.16 C ATOM 1927 OG1 THR A 131 2.834 6.876 -14.825 1.00 2.47 O ATOM 1928 CG2 THR A 131 0.667 7.695 -14.344 1.00 2.76 C ATOM 0 H THR A 131 0.867 7.828 -11.665 1.00 1.69 H new ATOM 0 HA THR A 131 3.581 7.629 -12.409 1.00 1.92 H new ATOM 0 HB THR A 131 1.723 6.241 -13.182 1.00 2.16 H new ATOM 0 HG1 THR A 131 2.394 6.273 -15.460 1.00 2.47 H new ATOM 0 HG21 THR A 131 0.247 6.971 -15.042 1.00 2.76 H new ATOM 0 HG22 THR A 131 -0.048 7.884 -13.543 1.00 2.76 H new ATOM 0 HG23 THR A 131 0.877 8.626 -14.870 1.00 2.76 H new ATOM 1936 N ASP A 132 2.333 10.481 -13.131 1.00 1.90 N ATOM 1937 CA ASP A 132 2.645 11.860 -13.512 1.00 2.22 C ATOM 1938 C ASP A 132 3.214 12.687 -12.332 1.00 2.43 C ATOM 1939 O ASP A 132 3.053 13.907 -12.255 1.00 3.06 O ATOM 1940 CB ASP A 132 1.355 12.450 -14.094 1.00 2.97 C ATOM 1941 CG ASP A 132 1.553 13.752 -14.862 1.00 3.80 C ATOM 1942 OD1 ASP A 132 2.588 13.886 -15.572 1.00 3.83 O ATOM 1943 OD2 ASP A 132 0.657 14.604 -14.844 1.00 5.04 O ATOM 0 H ASP A 132 1.447 10.407 -12.631 1.00 1.90 H new ATOM 0 HA ASP A 132 3.441 11.887 -14.256 1.00 2.22 H new ATOM 0 HB2 ASP A 132 0.900 11.715 -14.758 1.00 2.97 H new ATOM 0 HB3 ASP A 132 0.650 12.624 -13.281 1.00 2.97 H new ATOM 1948 N GLY A 133 3.786 12.014 -11.326 1.00 2.71 N ATOM 1949 CA GLY A 133 4.271 12.572 -10.046 1.00 3.53 C ATOM 1950 C GLY A 133 3.159 13.020 -9.078 1.00 2.92 C ATOM 1951 O GLY A 133 3.428 13.407 -7.943 1.00 3.77 O ATOM 0 H GLY A 133 3.934 11.006 -11.381 1.00 2.71 H new ATOM 0 HA2 GLY A 133 4.887 11.823 -9.549 1.00 3.53 H new ATOM 0 HA3 GLY A 133 4.915 13.425 -10.258 1.00 3.53 H new ATOM 1955 N ARG A 134 1.910 12.975 -9.551 1.00 2.79 N ATOM 1956 CA ARG A 134 0.755 13.758 -9.095 1.00 3.82 C ATOM 1957 C ARG A 134 0.162 13.265 -7.757 1.00 3.89 C ATOM 1958 O ARG A 134 -0.654 12.346 -7.764 1.00 4.93 O ATOM 1959 CB ARG A 134 -0.259 13.745 -10.265 1.00 5.41 C ATOM 1960 CG ARG A 134 -1.160 14.976 -10.402 1.00 6.58 C ATOM 1961 CD ARG A 134 -2.329 15.048 -9.408 1.00 7.80 C ATOM 1962 NE ARG A 134 -3.365 15.980 -9.894 1.00 9.46 N ATOM 1963 CZ ARG A 134 -3.229 17.272 -10.170 1.00 10.03 C ATOM 1964 NH1 ARG A 134 -2.166 17.957 -9.792 1.00 9.34 N ATOM 1965 NH2 ARG A 134 -4.194 17.877 -10.833 1.00 11.70 N ATOM 0 H ARG A 134 1.661 12.347 -10.316 1.00 2.79 H new ATOM 0 HA ARG A 134 1.054 14.779 -8.858 1.00 3.82 H new ATOM 0 HB2 ARG A 134 0.295 13.623 -11.196 1.00 5.41 H new ATOM 0 HB3 ARG A 134 -0.895 12.867 -10.155 1.00 5.41 H new ATOM 0 HG2 ARG A 134 -0.547 15.869 -10.282 1.00 6.58 H new ATOM 0 HG3 ARG A 134 -1.563 15.000 -11.414 1.00 6.58 H new ATOM 0 HD2 ARG A 134 -2.759 14.056 -9.271 1.00 7.80 H new ATOM 0 HD3 ARG A 134 -1.966 15.375 -8.434 1.00 7.80 H new ATOM 0 HE ARG A 134 -4.295 15.585 -10.034 1.00 9.46 H new ATOM 0 HH11 ARG A 134 -1.420 17.495 -9.273 1.00 9.34 H new ATOM 0 HH12 ARG A 134 -2.091 18.949 -10.019 1.00 9.34 H new ATOM 0 HH21 ARG A 134 -5.021 17.353 -11.121 1.00 11.70 H new ATOM 0 HH22 ARG A 134 -4.114 18.869 -11.058 1.00 11.70 H new ATOM 1979 N THR A 135 0.604 13.885 -6.653 1.00 3.42 N ATOM 1980 CA THR A 135 0.157 13.717 -5.248 1.00 3.54 C ATOM 1981 C THR A 135 0.741 12.491 -4.577 1.00 2.70 C ATOM 1982 O THR A 135 0.864 11.425 -5.161 1.00 3.69 O ATOM 1983 CB THR A 135 -1.369 13.741 -5.078 1.00 5.40 C ATOM 1984 OG1 THR A 135 -1.972 14.746 -5.859 1.00 6.76 O ATOM 1985 CG2 THR A 135 -1.801 14.026 -3.641 1.00 5.82 C ATOM 0 H THR A 135 1.349 14.579 -6.718 1.00 3.42 H new ATOM 0 HA THR A 135 0.554 14.596 -4.740 1.00 3.54 H new ATOM 0 HB THR A 135 -1.687 12.746 -5.388 1.00 5.40 H new ATOM 0 HG1 THR A 135 -2.942 14.727 -5.724 1.00 6.76 H new ATOM 0 HG21 THR A 135 -2.889 14.031 -3.582 1.00 5.82 H new ATOM 0 HG22 THR A 135 -1.405 13.253 -2.982 1.00 5.82 H new ATOM 0 HG23 THR A 135 -1.417 14.998 -3.332 1.00 5.82 H new ATOM 1993 N LEU A 136 1.165 12.688 -3.328 1.00 1.96 N ATOM 1994 CA LEU A 136 2.116 11.836 -2.642 1.00 1.75 C ATOM 1995 C LEU A 136 1.930 11.768 -1.118 1.00 1.37 C ATOM 1996 O LEU A 136 1.708 10.671 -0.625 1.00 1.27 O ATOM 1997 CB LEU A 136 3.538 12.223 -3.094 1.00 2.59 C ATOM 1998 CG LEU A 136 4.133 13.579 -2.647 1.00 3.46 C ATOM 1999 CD1 LEU A 136 5.603 13.644 -3.094 1.00 4.79 C ATOM 2000 CD2 LEU A 136 3.391 14.810 -3.194 1.00 3.89 C ATOM 0 H LEU A 136 0.843 13.469 -2.756 1.00 1.96 H new ATOM 0 HA LEU A 136 1.927 10.803 -2.935 1.00 1.75 H new ATOM 0 HB2 LEU A 136 4.215 11.440 -2.752 1.00 2.59 H new ATOM 0 HB3 LEU A 136 3.552 12.203 -4.184 1.00 2.59 H new ATOM 0 HG LEU A 136 4.030 13.618 -1.563 1.00 3.46 H new ATOM 0 HD11 LEU A 136 6.035 14.596 -2.785 1.00 4.79 H new ATOM 0 HD12 LEU A 136 6.159 12.827 -2.635 1.00 4.79 H new ATOM 0 HD13 LEU A 136 5.658 13.556 -4.179 1.00 4.79 H new ATOM 0 HD21 LEU A 136 3.875 15.717 -2.831 1.00 3.89 H new ATOM 0 HD22 LEU A 136 3.417 14.796 -4.284 1.00 3.89 H new ATOM 0 HD23 LEU A 136 2.355 14.791 -2.855 1.00 3.89 H new ATOM 2012 N ASN A 137 1.991 12.877 -0.375 1.00 1.50 N ATOM 2013 CA ASN A 137 2.006 12.875 1.087 1.00 1.36 C ATOM 2014 C ASN A 137 0.587 12.645 1.620 1.00 1.39 C ATOM 2015 O ASN A 137 -0.281 13.516 1.491 1.00 1.82 O ATOM 2016 CB ASN A 137 2.611 14.192 1.609 1.00 1.63 C ATOM 2017 CG ASN A 137 2.615 14.286 3.139 1.00 2.07 C ATOM 2018 OD1 ASN A 137 2.628 13.289 3.849 1.00 3.18 O ATOM 2019 ND2 ASN A 137 2.547 15.486 3.677 1.00 2.31 N ATOM 0 H ASN A 137 2.032 13.813 -0.779 1.00 1.50 H new ATOM 0 HA ASN A 137 2.633 12.060 1.449 1.00 1.36 H new ATOM 0 HB2 ASN A 137 3.633 14.286 1.242 1.00 1.63 H new ATOM 0 HB3 ASN A 137 2.047 15.031 1.201 1.00 1.63 H new ATOM 0 HD21 ASN A 137 2.505 15.589 4.691 1.00 2.31 H new ATOM 0 HD22 ASN A 137 2.537 16.313 3.080 1.00 2.31 H new ATOM 2026 N VAL A 138 0.359 11.462 2.180 1.00 1.13 N ATOM 2027 CA VAL A 138 -0.953 11.049 2.712 1.00 1.25 C ATOM 2028 C VAL A 138 -0.878 10.566 4.168 1.00 1.05 C ATOM 2029 O VAL A 138 0.009 9.806 4.557 1.00 1.15 O ATOM 2030 CB VAL A 138 -1.628 10.020 1.772 1.00 1.63 C ATOM 2031 CG1 VAL A 138 -2.930 9.435 2.349 1.00 1.83 C ATOM 2032 CG2 VAL A 138 -1.966 10.690 0.427 1.00 2.00 C ATOM 0 H VAL A 138 1.081 10.749 2.283 1.00 1.13 H new ATOM 0 HA VAL A 138 -1.589 11.934 2.737 1.00 1.25 H new ATOM 0 HB VAL A 138 -0.915 9.205 1.649 1.00 1.63 H new ATOM 0 HG11 VAL A 138 -3.353 8.721 1.642 1.00 1.83 H new ATOM 0 HG12 VAL A 138 -2.716 8.930 3.291 1.00 1.83 H new ATOM 0 HG13 VAL A 138 -3.644 10.240 2.523 1.00 1.83 H new ATOM 0 HG21 VAL A 138 -2.441 9.963 -0.232 1.00 2.00 H new ATOM 0 HG22 VAL A 138 -2.646 11.525 0.597 1.00 2.00 H new ATOM 0 HG23 VAL A 138 -1.050 11.057 -0.037 1.00 2.00 H new ATOM 2042 N ALA A 139 -1.856 10.999 4.974 1.00 1.13 N ATOM 2043 CA ALA A 139 -2.144 10.420 6.283 1.00 1.19 C ATOM 2044 C ALA A 139 -2.905 9.093 6.107 1.00 1.12 C ATOM 2045 O ALA A 139 -4.112 9.066 5.866 1.00 1.56 O ATOM 2046 CB ALA A 139 -2.927 11.444 7.119 1.00 1.66 C ATOM 0 H ALA A 139 -2.475 11.772 4.728 1.00 1.13 H new ATOM 0 HA ALA A 139 -1.222 10.190 6.817 1.00 1.19 H new ATOM 0 HB1 ALA A 139 -3.147 11.021 8.099 1.00 1.66 H new ATOM 0 HB2 ALA A 139 -2.330 12.348 7.240 1.00 1.66 H new ATOM 0 HB3 ALA A 139 -3.860 11.690 6.612 1.00 1.66 H new ATOM 2052 N ALA A 140 -2.176 7.985 6.216 1.00 1.17 N ATOM 2053 CA ALA A 140 -2.736 6.662 6.453 1.00 1.03 C ATOM 2054 C ALA A 140 -3.105 6.492 7.936 1.00 0.91 C ATOM 2055 O ALA A 140 -2.615 7.217 8.812 1.00 1.00 O ATOM 2056 CB ALA A 140 -1.711 5.611 6.013 1.00 1.10 C ATOM 0 H ALA A 140 -1.159 7.985 6.140 1.00 1.17 H new ATOM 0 HA ALA A 140 -3.651 6.536 5.874 1.00 1.03 H new ATOM 0 HB1 ALA A 140 -2.116 4.614 6.184 1.00 1.10 H new ATOM 0 HB2 ALA A 140 -1.493 5.737 4.952 1.00 1.10 H new ATOM 0 HB3 ALA A 140 -0.794 5.734 6.589 1.00 1.10 H new ATOM 2062 N THR A 141 -3.940 5.490 8.215 1.00 0.90 N ATOM 2063 CA THR A 141 -4.353 5.089 9.570 1.00 0.91 C ATOM 2064 C THR A 141 -3.789 3.703 9.855 1.00 0.79 C ATOM 2065 O THR A 141 -3.329 3.001 8.951 1.00 0.82 O ATOM 2066 CB THR A 141 -5.886 5.143 9.693 1.00 1.11 C ATOM 2067 OG1 THR A 141 -6.341 6.338 9.103 1.00 1.27 O ATOM 2068 CG2 THR A 141 -6.401 5.181 11.133 1.00 1.27 C ATOM 0 H THR A 141 -4.363 4.915 7.486 1.00 0.90 H new ATOM 0 HA THR A 141 -3.958 5.778 10.317 1.00 0.91 H new ATOM 0 HB THR A 141 -6.251 4.235 9.214 1.00 1.11 H new ATOM 0 HG1 THR A 141 -7.317 6.386 9.172 1.00 1.27 H new ATOM 0 HG21 THR A 141 -7.490 5.218 11.129 1.00 1.27 H new ATOM 0 HG22 THR A 141 -6.070 4.287 11.661 1.00 1.27 H new ATOM 0 HG23 THR A 141 -6.010 6.065 11.636 1.00 1.27 H new ATOM 2076 N VAL A 142 -3.835 3.289 11.113 1.00 0.83 N ATOM 2077 CA VAL A 142 -3.515 1.914 11.521 1.00 0.77 C ATOM 2078 C VAL A 142 -4.825 1.161 11.876 1.00 0.84 C ATOM 2079 O VAL A 142 -5.878 1.771 12.053 1.00 1.18 O ATOM 2080 CB VAL A 142 -2.467 1.942 12.669 1.00 0.86 C ATOM 2081 CG1 VAL A 142 -1.720 0.622 12.847 1.00 1.30 C ATOM 2082 CG2 VAL A 142 -1.385 3.030 12.503 1.00 1.39 C ATOM 0 H VAL A 142 -4.096 3.896 11.890 1.00 0.83 H new ATOM 0 HA VAL A 142 -3.055 1.358 10.704 1.00 0.77 H new ATOM 0 HB VAL A 142 -3.085 2.154 13.542 1.00 0.86 H new ATOM 0 HG11 VAL A 142 -1.006 0.716 13.665 1.00 1.30 H new ATOM 0 HG12 VAL A 142 -2.432 -0.171 13.076 1.00 1.30 H new ATOM 0 HG13 VAL A 142 -1.188 0.378 11.927 1.00 1.30 H new ATOM 0 HG21 VAL A 142 -0.692 2.985 13.343 1.00 1.39 H new ATOM 0 HG22 VAL A 142 -0.840 2.863 11.574 1.00 1.39 H new ATOM 0 HG23 VAL A 142 -1.858 4.012 12.475 1.00 1.39 H new ATOM 2092 N LYS A 143 -4.780 -0.171 11.953 1.00 0.93 N ATOM 2093 CA LYS A 143 -5.771 -1.085 12.562 1.00 1.15 C ATOM 2094 C LYS A 143 -5.166 -2.514 12.608 1.00 1.36 C ATOM 2095 O LYS A 143 -4.304 -2.848 11.797 1.00 2.17 O ATOM 2096 CB LYS A 143 -7.136 -1.031 11.820 1.00 1.38 C ATOM 2097 CG LYS A 143 -8.270 -1.818 12.510 1.00 1.91 C ATOM 2098 CD LYS A 143 -9.672 -1.501 11.946 1.00 2.33 C ATOM 2099 CE LYS A 143 -10.242 -0.159 12.450 1.00 2.78 C ATOM 2100 NZ LYS A 143 -11.559 0.163 11.834 1.00 3.15 N ATOM 0 H LYS A 143 -3.991 -0.687 11.563 1.00 0.93 H new ATOM 0 HA LYS A 143 -5.987 -0.767 13.582 1.00 1.15 H new ATOM 0 HB2 LYS A 143 -7.441 0.011 11.722 1.00 1.38 H new ATOM 0 HB3 LYS A 143 -7.002 -1.420 10.811 1.00 1.38 H new ATOM 0 HG2 LYS A 143 -8.077 -2.886 12.404 1.00 1.91 H new ATOM 0 HG3 LYS A 143 -8.258 -1.597 13.577 1.00 1.91 H new ATOM 0 HD2 LYS A 143 -9.622 -1.481 10.857 1.00 2.33 H new ATOM 0 HD3 LYS A 143 -10.356 -2.304 12.219 1.00 2.33 H new ATOM 0 HE2 LYS A 143 -10.350 -0.197 13.534 1.00 2.78 H new ATOM 0 HE3 LYS A 143 -9.535 0.640 12.228 1.00 2.78 H new ATOM 0 HZ1 LYS A 143 -11.902 1.073 12.203 1.00 3.15 H new ATOM 0 HZ2 LYS A 143 -11.453 0.226 10.801 1.00 3.15 H new ATOM 0 HZ3 LYS A 143 -12.243 -0.585 12.067 1.00 3.15 H new ATOM 2114 N LYS A 144 -5.551 -3.368 13.558 1.00 1.44 N ATOM 2115 CA LYS A 144 -5.016 -4.747 13.631 1.00 1.64 C ATOM 2116 C LYS A 144 -5.632 -5.666 12.555 1.00 1.62 C ATOM 2117 O LYS A 144 -6.801 -5.478 12.228 1.00 2.42 O ATOM 2118 CB LYS A 144 -5.198 -5.285 15.060 1.00 2.51 C ATOM 2119 CG LYS A 144 -6.601 -5.859 15.336 1.00 3.27 C ATOM 2120 CD LYS A 144 -7.008 -5.781 16.807 1.00 4.36 C ATOM 2121 CE LYS A 144 -5.929 -6.246 17.794 1.00 5.37 C ATOM 2122 NZ LYS A 144 -6.343 -6.012 19.196 1.00 6.64 N ATOM 0 H LYS A 144 -6.227 -3.140 14.287 1.00 1.44 H new ATOM 0 HA LYS A 144 -3.949 -4.730 13.409 1.00 1.64 H new ATOM 0 HB2 LYS A 144 -4.456 -6.062 15.243 1.00 2.51 H new ATOM 0 HB3 LYS A 144 -4.999 -4.481 15.769 1.00 2.51 H new ATOM 0 HG2 LYS A 144 -7.332 -5.318 14.735 1.00 3.27 H new ATOM 0 HG3 LYS A 144 -6.630 -6.900 15.013 1.00 3.27 H new ATOM 0 HD2 LYS A 144 -7.277 -4.751 17.042 1.00 4.36 H new ATOM 0 HD3 LYS A 144 -7.903 -6.386 16.955 1.00 4.36 H new ATOM 0 HE2 LYS A 144 -5.730 -7.307 17.644 1.00 5.37 H new ATOM 0 HE3 LYS A 144 -4.998 -5.715 17.594 1.00 5.37 H new ATOM 0 HZ1 LYS A 144 -5.592 -6.337 19.838 1.00 6.64 H new ATOM 0 HZ2 LYS A 144 -6.510 -4.996 19.344 1.00 6.64 H new ATOM 0 HZ3 LYS A 144 -7.218 -6.538 19.392 1.00 6.64 H new ATOM 2136 N ASN A 145 -4.900 -6.668 12.039 1.00 1.77 N ATOM 2137 CA ASN A 145 -5.502 -7.745 11.213 1.00 2.47 C ATOM 2138 C ASN A 145 -4.626 -9.000 10.964 1.00 2.47 C ATOM 2139 O ASN A 145 -4.955 -9.804 10.092 1.00 3.32 O ATOM 2140 CB ASN A 145 -6.093 -7.189 9.887 1.00 3.60 C ATOM 2141 CG ASN A 145 -7.533 -7.651 9.693 1.00 4.44 C ATOM 2142 OD1 ASN A 145 -7.836 -8.486 8.843 1.00 4.83 O ATOM 2143 ND2 ASN A 145 -8.438 -7.147 10.516 1.00 5.32 N ATOM 0 H ASN A 145 -3.893 -6.760 12.175 1.00 1.77 H new ATOM 0 HA ASN A 145 -6.311 -8.120 11.840 1.00 2.47 H new ATOM 0 HB2 ASN A 145 -6.055 -6.100 9.897 1.00 3.60 H new ATOM 0 HB3 ASN A 145 -5.484 -7.522 9.046 1.00 3.60 H new ATOM 0 HD21 ASN A 145 -9.410 -7.450 10.453 1.00 5.32 H new ATOM 0 HD22 ASN A 145 -8.164 -6.455 11.214 1.00 5.32 H new ATOM 2150 N ILE A 146 -3.523 -9.190 11.705 1.00 2.35 N ATOM 2151 CA ILE A 146 -2.662 -10.393 11.608 1.00 2.90 C ATOM 2152 C ILE A 146 -2.219 -10.830 13.008 1.00 3.14 C ATOM 2153 O ILE A 146 -2.611 -11.908 13.441 1.00 3.66 O ATOM 2154 CB ILE A 146 -1.462 -10.194 10.635 1.00 3.47 C ATOM 2155 CG1 ILE A 146 -1.941 -10.005 9.174 1.00 3.82 C ATOM 2156 CG2 ILE A 146 -0.501 -11.402 10.705 1.00 4.68 C ATOM 2157 CD1 ILE A 146 -0.836 -9.702 8.153 1.00 4.81 C ATOM 0 H ILE A 146 -3.196 -8.513 12.394 1.00 2.35 H new ATOM 0 HA ILE A 146 -3.252 -11.199 11.171 1.00 2.90 H new ATOM 0 HB ILE A 146 -0.937 -9.291 10.948 1.00 3.47 H new ATOM 0 HG12 ILE A 146 -2.463 -10.909 8.861 1.00 3.82 H new ATOM 0 HG13 ILE A 146 -2.667 -9.193 9.150 1.00 3.82 H new ATOM 0 HG21 ILE A 146 0.331 -11.245 10.019 1.00 4.68 H new ATOM 0 HG22 ILE A 146 -0.119 -11.505 11.721 1.00 4.68 H new ATOM 0 HG23 ILE A 146 -1.036 -12.309 10.425 1.00 4.68 H new ATOM 0 HD11 ILE A 146 -1.277 -9.588 7.163 1.00 4.81 H new ATOM 0 HD12 ILE A 146 -0.326 -8.780 8.432 1.00 4.81 H new ATOM 0 HD13 ILE A 146 -0.119 -10.523 8.138 1.00 4.81 H new ATOM 2169 N GLU A 147 -1.432 -9.996 13.701 1.00 3.15 N ATOM 2170 CA GLU A 147 -0.972 -10.200 15.086 1.00 3.83 C ATOM 2171 C GLU A 147 -0.033 -11.417 15.238 1.00 3.85 C ATOM 2172 O GLU A 147 -0.240 -12.303 16.068 1.00 4.68 O ATOM 2173 CB GLU A 147 -2.181 -10.205 16.036 1.00 4.94 C ATOM 2174 CG GLU A 147 -1.779 -9.905 17.485 1.00 6.38 C ATOM 2175 CD GLU A 147 -2.995 -9.583 18.347 1.00 7.99 C ATOM 2176 OE1 GLU A 147 -3.870 -8.799 17.899 1.00 8.41 O ATOM 2177 OE2 GLU A 147 -3.043 -10.032 19.508 1.00 9.38 O ATOM 0 H GLU A 147 -1.083 -9.126 13.299 1.00 3.15 H new ATOM 0 HA GLU A 147 -0.340 -9.360 15.374 1.00 3.83 H new ATOM 0 HB2 GLU A 147 -2.907 -9.464 15.701 1.00 4.94 H new ATOM 0 HB3 GLU A 147 -2.673 -11.177 15.991 1.00 4.94 H new ATOM 0 HG2 GLU A 147 -1.253 -10.763 17.903 1.00 6.38 H new ATOM 0 HG3 GLU A 147 -1.085 -9.065 17.505 1.00 6.38 H new