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 79 HIS : no HD1:sc= -0.155 K(o=0.93,f=-3.1) USER MOD Set 1.2: A 101 THR OG1 : rot 145:sc= 1.09 USER MOD Set 2.1: A 77 THR OG1 : rot -24:sc= 1.19 USER MOD Set 2.2: A 78 THR OG1 : rot 41:sc= 0.165 USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.78) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.206 K(o=0.21,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0485) USER MOD Single : A 55 SER OG : rot 21:sc= 1.25 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0978 USER MOD Single : A 70 THR OG1 : rot 82:sc= 1.12 USER MOD Single : A 71 SER OG : rot 2:sc= 1.15 USER MOD Single : A 73 MET CE :methyl -139:sc= -0.0294 (180deg=-0.63) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 95:sc= 0.487 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 83 MET CE :methyl -174:sc= 0 (180deg=-0.0166) USER MOD Single : A 86 MET CE :methyl -178:sc= 0 (180deg=-0.00374) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -177:sc= 0 (180deg=-0.00721) USER MOD Single : A 93 THR OG1 : rot 180:sc=-0.00689 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.565 K(o=0.57,f=0) USER MOD Single : A 108 HIS : no HE2:sc= -0.587 K(o=-0.59,f=-1.6) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -1.08 K(o=-1.1,f=0) 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 -73:sc= 1.23 USER MOD Single : A 135 THR OG1 : rot 141:sc= 1.8 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.25) 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+ -161:sc= 0.0371 (180deg=-0.495) USER MOD Single : A 145 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -13.019 11.262 -7.662 1.00 5.28 N ATOM 370 CA VAL A 28 -12.822 9.806 -7.641 1.00 4.48 C ATOM 371 C VAL A 28 -12.039 9.460 -6.369 1.00 4.55 C ATOM 372 O VAL A 28 -11.242 10.275 -5.897 1.00 5.13 O ATOM 373 CB VAL A 28 -12.130 9.285 -8.929 1.00 4.12 C ATOM 374 CG1 VAL A 28 -10.664 9.741 -9.067 1.00 4.73 C ATOM 375 CG2 VAL A 28 -12.208 7.751 -9.026 1.00 3.59 C ATOM 0 HA VAL A 28 -13.788 9.301 -7.624 1.00 4.48 H new ATOM 0 HB VAL A 28 -12.684 9.730 -9.755 1.00 4.12 H new ATOM 0 HG11 VAL A 28 -10.244 9.340 -9.989 1.00 4.73 H new ATOM 0 HG12 VAL A 28 -10.623 10.830 -9.092 1.00 4.73 H new ATOM 0 HG13 VAL A 28 -10.088 9.376 -8.217 1.00 4.73 H new ATOM 0 HG21 VAL A 28 -11.714 7.419 -9.939 1.00 3.59 H new ATOM 0 HG22 VAL A 28 -11.713 7.306 -8.163 1.00 3.59 H new ATOM 0 HG23 VAL A 28 -13.253 7.440 -9.045 1.00 3.59 H new ATOM 385 N THR A 29 -12.290 8.282 -5.788 1.00 4.18 N ATOM 386 CA THR A 29 -11.760 7.897 -4.479 1.00 4.24 C ATOM 387 C THR A 29 -10.606 6.925 -4.653 1.00 3.95 C ATOM 388 O THR A 29 -10.642 5.966 -5.418 1.00 3.87 O ATOM 389 CB THR A 29 -12.859 7.294 -3.607 1.00 4.36 C ATOM 390 OG1 THR A 29 -13.958 8.169 -3.598 1.00 4.97 O ATOM 391 CG2 THR A 29 -12.439 7.101 -2.148 1.00 4.57 C ATOM 0 H THR A 29 -12.872 7.564 -6.218 1.00 4.18 H new ATOM 0 HA THR A 29 -11.388 8.788 -3.973 1.00 4.24 H new ATOM 0 HB THR A 29 -13.091 6.318 -4.033 1.00 4.36 H new ATOM 0 HG1 THR A 29 -14.672 7.792 -3.042 1.00 4.97 H new ATOM 0 HG21 THR A 29 -13.267 6.669 -1.585 1.00 4.57 H new ATOM 0 HG22 THR A 29 -11.580 6.431 -2.102 1.00 4.57 H new ATOM 0 HG23 THR A 29 -12.171 8.065 -1.716 1.00 4.57 H new ATOM 399 N VAL A 30 -9.556 7.196 -3.905 1.00 4.23 N ATOM 400 CA VAL A 30 -8.290 6.473 -3.928 1.00 4.31 C ATOM 401 C VAL A 30 -7.971 5.971 -2.526 1.00 3.78 C ATOM 402 O VAL A 30 -8.519 6.490 -1.553 1.00 4.08 O ATOM 403 CB VAL A 30 -7.161 7.357 -4.500 1.00 5.74 C ATOM 404 CG1 VAL A 30 -7.484 7.795 -5.942 1.00 7.09 C ATOM 405 CG2 VAL A 30 -6.865 8.605 -3.651 1.00 6.37 C ATOM 0 H VAL A 30 -9.557 7.962 -3.231 1.00 4.23 H new ATOM 0 HA VAL A 30 -8.375 5.610 -4.589 1.00 4.31 H new ATOM 0 HB VAL A 30 -6.268 6.733 -4.484 1.00 5.74 H new ATOM 0 HG11 VAL A 30 -6.674 8.417 -6.323 1.00 7.09 H new ATOM 0 HG12 VAL A 30 -7.594 6.914 -6.574 1.00 7.09 H new ATOM 0 HG13 VAL A 30 -8.413 8.365 -5.950 1.00 7.09 H new ATOM 0 HG21 VAL A 30 -6.061 9.178 -4.114 1.00 6.37 H new ATOM 0 HG22 VAL A 30 -7.761 9.223 -3.588 1.00 6.37 H new ATOM 0 HG23 VAL A 30 -6.563 8.300 -2.649 1.00 6.37 H new ATOM 415 N GLN A 31 -7.108 4.959 -2.426 1.00 3.33 N ATOM 416 CA GLN A 31 -6.583 4.534 -1.135 1.00 3.13 C ATOM 417 C GLN A 31 -5.924 5.692 -0.373 1.00 3.78 C ATOM 418 O GLN A 31 -5.217 6.494 -0.977 1.00 5.25 O ATOM 419 CB GLN A 31 -5.574 3.396 -1.316 1.00 2.87 C ATOM 420 CG GLN A 31 -4.156 3.796 -1.749 1.00 3.10 C ATOM 421 CD GLN A 31 -3.334 2.546 -2.012 1.00 3.01 C ATOM 422 OE1 GLN A 31 -2.914 1.841 -1.111 1.00 3.92 O ATOM 423 NE2 GLN A 31 -3.138 2.161 -3.248 1.00 2.87 N ATOM 0 H GLN A 31 -6.761 4.423 -3.221 1.00 3.33 H new ATOM 0 HA GLN A 31 -7.429 4.182 -0.545 1.00 3.13 H new ATOM 0 HB2 GLN A 31 -5.502 2.852 -0.374 1.00 2.87 H new ATOM 0 HB3 GLN A 31 -5.973 2.702 -2.056 1.00 2.87 H new ATOM 0 HG2 GLN A 31 -4.199 4.411 -2.648 1.00 3.10 H new ATOM 0 HG3 GLN A 31 -3.684 4.398 -0.973 1.00 3.10 H new ATOM 0 HE21 GLN A 31 -3.479 2.733 -4.021 1.00 2.87 H new ATOM 0 HE22 GLN A 31 -2.644 1.289 -3.438 1.00 2.87 H new ATOM 432 N GLY A 32 -6.038 5.687 0.957 1.00 3.00 N ATOM 433 CA GLY A 32 -5.126 6.449 1.828 1.00 3.53 C ATOM 434 C GLY A 32 -3.892 5.638 2.230 1.00 3.18 C ATOM 435 O GLY A 32 -2.923 6.199 2.719 1.00 4.05 O ATOM 0 H GLY A 32 -6.754 5.163 1.460 1.00 3.00 H new ATOM 0 HA2 GLY A 32 -4.810 7.356 1.313 1.00 3.53 H new ATOM 0 HA3 GLY A 32 -5.661 6.761 2.725 1.00 3.53 H new ATOM 439 N ALA A 33 -3.963 4.317 2.026 1.00 2.12 N ATOM 440 CA ALA A 33 -3.081 3.246 2.508 1.00 1.64 C ATOM 441 C ALA A 33 -3.370 2.906 3.988 1.00 1.38 C ATOM 442 O ALA A 33 -3.676 3.782 4.810 1.00 1.52 O ATOM 443 CB ALA A 33 -1.601 3.527 2.223 1.00 2.15 C ATOM 0 H ALA A 33 -4.719 3.931 1.460 1.00 2.12 H new ATOM 0 HA ALA A 33 -3.311 2.349 1.934 1.00 1.64 H new ATOM 0 HB1 ALA A 33 -0.995 2.703 2.600 1.00 2.15 H new ATOM 0 HB2 ALA A 33 -1.450 3.626 1.148 1.00 2.15 H new ATOM 0 HB3 ALA A 33 -1.304 4.452 2.718 1.00 2.15 H new ATOM 449 N THR A 34 -3.290 1.607 4.313 1.00 1.40 N ATOM 450 CA THR A 34 -3.558 1.070 5.653 1.00 1.29 C ATOM 451 C THR A 34 -2.381 0.218 6.100 1.00 1.14 C ATOM 452 O THR A 34 -1.890 -0.590 5.322 1.00 1.32 O ATOM 453 CB THR A 34 -4.849 0.245 5.699 1.00 1.41 C ATOM 454 OG1 THR A 34 -5.893 0.986 5.110 1.00 1.79 O ATOM 455 CG2 THR A 34 -5.284 -0.074 7.132 1.00 1.47 C ATOM 0 H THR A 34 -3.032 0.887 3.638 1.00 1.40 H new ATOM 0 HA THR A 34 -3.690 1.914 6.330 1.00 1.29 H new ATOM 0 HB THR A 34 -4.650 -0.686 5.168 1.00 1.41 H new ATOM 0 HG1 THR A 34 -6.721 0.462 5.135 1.00 1.79 H new ATOM 0 HG21 THR A 34 -6.203 -0.660 7.111 1.00 1.47 H new ATOM 0 HG22 THR A 34 -4.501 -0.645 7.631 1.00 1.47 H new ATOM 0 HG23 THR A 34 -5.458 0.855 7.675 1.00 1.47 H new ATOM 463 N VAL A 35 -1.936 0.408 7.339 1.00 0.90 N ATOM 464 CA VAL A 35 -0.880 -0.402 7.985 1.00 0.74 C ATOM 465 C VAL A 35 -1.487 -1.425 8.953 1.00 0.75 C ATOM 466 O VAL A 35 -2.549 -1.196 9.540 1.00 0.89 O ATOM 467 CB VAL A 35 0.146 0.450 8.780 1.00 0.65 C ATOM 468 CG1 VAL A 35 1.528 -0.231 8.847 1.00 0.89 C ATOM 469 CG2 VAL A 35 0.384 1.838 8.155 1.00 0.79 C ATOM 0 H VAL A 35 -2.301 1.143 7.944 1.00 0.90 H new ATOM 0 HA VAL A 35 -0.360 -0.899 7.166 1.00 0.74 H new ATOM 0 HB VAL A 35 -0.296 0.551 9.771 1.00 0.65 H new ATOM 0 HG11 VAL A 35 2.216 0.398 9.412 1.00 0.89 H new ATOM 0 HG12 VAL A 35 1.433 -1.199 9.340 1.00 0.89 H new ATOM 0 HG13 VAL A 35 1.913 -0.374 7.837 1.00 0.89 H new ATOM 0 HG21 VAL A 35 1.110 2.387 8.754 1.00 0.79 H new ATOM 0 HG22 VAL A 35 0.766 1.720 7.141 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -0.555 2.390 8.127 1.00 0.79 H new ATOM 479 N ALA A 36 -0.756 -2.515 9.189 1.00 0.73 N ATOM 480 CA ALA A 36 -0.891 -3.320 10.398 1.00 0.96 C ATOM 481 C ALA A 36 -0.213 -2.633 11.609 1.00 1.24 C ATOM 482 O ALA A 36 0.990 -2.385 11.593 1.00 1.96 O ATOM 483 CB ALA A 36 -0.285 -4.702 10.122 1.00 1.10 C ATOM 0 H ALA A 36 -0.050 -2.864 8.541 1.00 0.73 H new ATOM 0 HA ALA A 36 -1.945 -3.428 10.656 1.00 0.96 H new ATOM 0 HB1 ALA A 36 -0.374 -5.323 11.013 1.00 1.10 H new ATOM 0 HB2 ALA A 36 -0.817 -5.174 9.296 1.00 1.10 H new ATOM 0 HB3 ALA A 36 0.767 -4.592 9.860 1.00 1.10 H new ATOM 489 N ALA A 37 -0.976 -2.397 12.680 1.00 0.95 N ATOM 490 CA ALA A 37 -0.478 -2.254 14.057 1.00 0.98 C ATOM 491 C ALA A 37 0.440 -3.427 14.466 1.00 1.04 C ATOM 492 O ALA A 37 0.358 -4.495 13.863 1.00 1.29 O ATOM 493 CB ALA A 37 -1.676 -2.205 15.019 1.00 1.03 C ATOM 0 H ALA A 37 -1.989 -2.297 12.614 1.00 0.95 H new ATOM 0 HA ALA A 37 0.106 -1.335 14.108 1.00 0.98 H new ATOM 0 HB1 ALA A 37 -1.317 -2.099 16.043 1.00 1.03 H new ATOM 0 HB2 ALA A 37 -2.310 -1.355 14.767 1.00 1.03 H new ATOM 0 HB3 ALA A 37 -2.252 -3.126 14.930 1.00 1.03 H new ATOM 499 N VAL A 38 1.235 -3.277 15.531 1.00 1.04 N ATOM 500 CA VAL A 38 2.139 -4.356 15.988 1.00 1.03 C ATOM 501 C VAL A 38 2.574 -4.158 17.447 1.00 1.09 C ATOM 502 O VAL A 38 2.783 -3.009 17.834 1.00 1.26 O ATOM 503 CB VAL A 38 3.348 -4.507 15.018 1.00 1.15 C ATOM 504 CG1 VAL A 38 4.566 -3.633 15.378 1.00 2.77 C ATOM 505 CG2 VAL A 38 3.792 -5.967 14.865 1.00 1.86 C ATOM 0 H VAL A 38 1.276 -2.428 16.094 1.00 1.04 H new ATOM 0 HA VAL A 38 1.585 -5.295 15.965 1.00 1.03 H new ATOM 0 HB VAL A 38 2.966 -4.144 14.064 1.00 1.15 H new ATOM 0 HG11 VAL A 38 5.361 -3.800 14.652 1.00 2.77 H new ATOM 0 HG12 VAL A 38 4.277 -2.582 15.364 1.00 2.77 H new ATOM 0 HG13 VAL A 38 4.922 -3.898 16.373 1.00 2.77 H new ATOM 0 HG21 VAL A 38 4.637 -6.020 14.179 1.00 1.86 H new ATOM 0 HG22 VAL A 38 4.088 -6.361 15.837 1.00 1.86 H new ATOM 0 HG23 VAL A 38 2.966 -6.559 14.470 1.00 1.86 H new ATOM 515 N PRO A 39 2.725 -5.219 18.267 1.00 1.14 N ATOM 516 CA PRO A 39 3.193 -5.098 19.649 1.00 1.35 C ATOM 517 C PRO A 39 4.687 -4.716 19.725 1.00 1.42 C ATOM 518 O PRO A 39 5.455 -5.088 18.838 1.00 1.39 O ATOM 519 CB PRO A 39 2.938 -6.467 20.294 1.00 1.49 C ATOM 520 CG PRO A 39 3.026 -7.417 19.102 1.00 1.38 C ATOM 521 CD PRO A 39 2.338 -6.603 18.008 1.00 1.19 C ATOM 0 HA PRO A 39 2.664 -4.300 20.170 1.00 1.35 H new ATOM 0 HB2 PRO A 39 3.682 -6.702 21.055 1.00 1.49 H new ATOM 0 HB3 PRO A 39 1.962 -6.512 20.777 1.00 1.49 H new ATOM 0 HG2 PRO A 39 4.058 -7.658 18.846 1.00 1.38 H new ATOM 0 HG3 PRO A 39 2.516 -8.361 19.292 1.00 1.38 H new ATOM 0 HD2 PRO A 39 2.659 -6.924 17.017 1.00 1.19 H new ATOM 0 HD3 PRO A 39 1.255 -6.724 18.048 1.00 1.19 H new ATOM 529 N PRO A 40 5.125 -4.041 20.810 1.00 1.65 N ATOM 530 CA PRO A 40 6.495 -3.537 20.987 1.00 1.82 C ATOM 531 C PRO A 40 7.594 -4.604 21.096 1.00 1.89 C ATOM 532 O PRO A 40 8.774 -4.267 21.043 1.00 2.60 O ATOM 533 CB PRO A 40 6.460 -2.697 22.269 1.00 2.11 C ATOM 534 CG PRO A 40 5.238 -3.199 23.031 1.00 2.14 C ATOM 535 CD PRO A 40 4.284 -3.607 21.919 1.00 1.86 C ATOM 0 HA PRO A 40 6.767 -2.979 20.091 1.00 1.82 H new ATOM 0 HB2 PRO A 40 7.371 -2.828 22.853 1.00 2.11 H new ATOM 0 HB3 PRO A 40 6.376 -1.634 22.043 1.00 2.11 H new ATOM 0 HG2 PRO A 40 5.484 -4.040 23.680 1.00 2.14 H new ATOM 0 HG3 PRO A 40 4.810 -2.422 23.665 1.00 2.14 H new ATOM 0 HD2 PRO A 40 3.624 -4.410 22.246 1.00 1.86 H new ATOM 0 HD3 PRO A 40 3.648 -2.772 21.624 1.00 1.86 H new ATOM 543 N SER A 41 7.234 -5.879 21.255 1.00 2.57 N ATOM 544 CA SER A 41 8.187 -7.010 21.194 1.00 2.83 C ATOM 545 C SER A 41 8.555 -7.403 19.736 1.00 2.57 C ATOM 546 O SER A 41 9.479 -8.183 19.490 1.00 2.85 O ATOM 547 CB SER A 41 7.587 -8.196 21.976 1.00 3.17 C ATOM 548 OG SER A 41 8.569 -9.104 22.436 1.00 3.64 O ATOM 0 H SER A 41 6.271 -6.167 21.431 1.00 2.57 H new ATOM 0 HA SER A 41 9.127 -6.706 21.654 1.00 2.83 H new ATOM 0 HB2 SER A 41 7.024 -7.815 22.828 1.00 3.17 H new ATOM 0 HB3 SER A 41 6.880 -8.726 21.337 1.00 3.17 H new ATOM 0 HG SER A 41 8.136 -9.834 22.925 1.00 3.64 H new ATOM 554 N ILE A 42 7.852 -6.847 18.745 1.00 2.12 N ATOM 555 CA ILE A 42 8.033 -7.075 17.304 1.00 1.91 C ATOM 556 C ILE A 42 8.406 -5.748 16.616 1.00 1.85 C ATOM 557 O ILE A 42 8.121 -4.663 17.121 1.00 2.15 O ATOM 558 CB ILE A 42 6.726 -7.681 16.736 1.00 1.83 C ATOM 559 CG1 ILE A 42 6.317 -8.999 17.441 1.00 2.21 C ATOM 560 CG2 ILE A 42 6.770 -7.904 15.212 1.00 1.62 C ATOM 561 CD1 ILE A 42 7.286 -10.177 17.265 1.00 2.65 C ATOM 0 H ILE A 42 7.098 -6.188 18.935 1.00 2.12 H new ATOM 0 HA ILE A 42 8.846 -7.776 17.117 1.00 1.91 H new ATOM 0 HB ILE A 42 5.967 -6.927 16.945 1.00 1.83 H new ATOM 0 HG12 ILE A 42 6.206 -8.800 18.507 1.00 2.21 H new ATOM 0 HG13 ILE A 42 5.337 -9.300 17.069 1.00 2.21 H new ATOM 0 HG21 ILE A 42 5.824 -8.330 14.879 1.00 1.62 H new ATOM 0 HG22 ILE A 42 6.935 -6.951 14.709 1.00 1.62 H new ATOM 0 HG23 ILE A 42 7.582 -8.589 14.968 1.00 1.62 H new ATOM 0 HD11 ILE A 42 6.902 -11.047 17.799 1.00 2.65 H new ATOM 0 HD12 ILE A 42 7.381 -10.415 16.205 1.00 2.65 H new ATOM 0 HD13 ILE A 42 8.263 -9.907 17.666 1.00 2.65 H new ATOM 573 N ARG A 43 9.064 -5.836 15.456 1.00 1.69 N ATOM 574 CA ARG A 43 9.573 -4.686 14.691 1.00 1.67 C ATOM 575 C ARG A 43 9.357 -4.807 13.171 1.00 1.45 C ATOM 576 O ARG A 43 9.912 -3.996 12.431 1.00 1.50 O ATOM 577 CB ARG A 43 11.068 -4.495 15.040 1.00 1.93 C ATOM 578 CG ARG A 43 11.425 -3.016 15.248 1.00 2.72 C ATOM 579 CD ARG A 43 10.943 -2.457 16.594 1.00 4.42 C ATOM 580 NE ARG A 43 11.744 -2.978 17.719 1.00 5.20 N ATOM 581 CZ ARG A 43 11.478 -2.839 19.014 1.00 6.54 C ATOM 582 NH1 ARG A 43 10.395 -2.244 19.468 1.00 7.56 N ATOM 583 NH2 ARG A 43 12.335 -3.338 19.877 1.00 7.22 N ATOM 0 H ARG A 43 9.264 -6.731 15.009 1.00 1.69 H new ATOM 0 HA ARG A 43 8.999 -3.806 14.980 1.00 1.67 H new ATOM 0 HB2 ARG A 43 11.304 -5.056 15.945 1.00 1.93 H new ATOM 0 HB3 ARG A 43 11.683 -4.907 14.240 1.00 1.93 H new ATOM 0 HG2 ARG A 43 12.506 -2.898 15.180 1.00 2.72 H new ATOM 0 HG3 ARG A 43 10.989 -2.427 14.441 1.00 2.72 H new ATOM 0 HD2 ARG A 43 11.002 -1.369 16.578 1.00 4.42 H new ATOM 0 HD3 ARG A 43 9.895 -2.717 16.742 1.00 4.42 H new ATOM 0 HE ARG A 43 12.588 -3.498 17.478 1.00 5.20 H new ATOM 0 HH11 ARG A 43 9.711 -1.862 18.815 1.00 7.56 H new ATOM 0 HH12 ARG A 43 10.240 -2.165 20.473 1.00 7.56 H new ATOM 0 HH21 ARG A 43 13.174 -3.814 19.545 1.00 7.22 H new ATOM 0 HH22 ARG A 43 12.161 -3.249 20.878 1.00 7.22 H new ATOM 597 N ASP A 44 8.586 -5.789 12.690 1.00 1.33 N ATOM 598 CA ASP A 44 8.351 -6.032 11.262 1.00 1.17 C ATOM 599 C ASP A 44 6.844 -6.052 10.952 1.00 1.03 C ATOM 600 O ASP A 44 6.070 -6.713 11.649 1.00 1.15 O ATOM 601 CB ASP A 44 9.037 -7.351 10.870 1.00 1.27 C ATOM 602 CG ASP A 44 10.563 -7.293 11.007 1.00 1.48 C ATOM 603 OD1 ASP A 44 11.159 -6.414 10.354 1.00 1.88 O ATOM 604 OD2 ASP A 44 11.148 -8.107 11.760 1.00 2.49 O ATOM 0 H ASP A 44 8.098 -6.450 13.295 1.00 1.33 H new ATOM 0 HA ASP A 44 8.779 -5.223 10.670 1.00 1.17 H new ATOM 0 HB2 ASP A 44 8.651 -8.155 11.496 1.00 1.27 H new ATOM 0 HB3 ASP A 44 8.779 -7.597 9.840 1.00 1.27 H new ATOM 609 N THR A 45 6.419 -5.287 9.932 1.00 0.87 N ATOM 610 CA THR A 45 5.002 -4.988 9.614 1.00 0.73 C ATOM 611 C THR A 45 4.745 -4.944 8.104 1.00 0.68 C ATOM 612 O THR A 45 5.649 -5.206 7.311 1.00 0.98 O ATOM 613 CB THR A 45 4.527 -3.694 10.302 1.00 0.87 C ATOM 614 OG1 THR A 45 5.217 -2.585 9.793 1.00 2.45 O ATOM 615 CG2 THR A 45 4.724 -3.710 11.809 1.00 1.84 C ATOM 0 H THR A 45 7.068 -4.843 9.283 1.00 0.87 H new ATOM 0 HA THR A 45 4.410 -5.811 10.014 1.00 0.73 H new ATOM 0 HB THR A 45 3.459 -3.626 10.093 1.00 0.87 H new ATOM 0 HG1 THR A 45 4.902 -1.771 10.239 1.00 2.45 H new ATOM 0 HG21 THR A 45 4.369 -2.770 12.232 1.00 1.84 H new ATOM 0 HG22 THR A 45 4.161 -4.538 12.241 1.00 1.84 H new ATOM 0 HG23 THR A 45 5.783 -3.834 12.036 1.00 1.84 H new ATOM 623 N ALA A 46 3.521 -4.605 7.689 1.00 0.78 N ATOM 624 CA ALA A 46 3.112 -4.513 6.285 1.00 0.92 C ATOM 625 C ALA A 46 1.896 -3.592 6.092 1.00 0.81 C ATOM 626 O ALA A 46 1.103 -3.412 7.021 1.00 0.79 O ATOM 627 CB ALA A 46 2.840 -5.922 5.748 1.00 1.19 C ATOM 0 H ALA A 46 2.767 -4.381 8.338 1.00 0.78 H new ATOM 0 HA ALA A 46 3.925 -4.061 5.716 1.00 0.92 H new ATOM 0 HB1 ALA A 46 2.535 -5.861 4.703 1.00 1.19 H new ATOM 0 HB2 ALA A 46 3.746 -6.523 5.827 1.00 1.19 H new ATOM 0 HB3 ALA A 46 2.045 -6.386 6.331 1.00 1.19 H new ATOM 633 N ALA A 47 1.758 -3.041 4.882 1.00 0.94 N ATOM 634 CA ALA A 47 0.727 -2.079 4.504 1.00 0.98 C ATOM 635 C ALA A 47 0.083 -2.412 3.140 1.00 1.28 C ATOM 636 O ALA A 47 0.740 -2.852 2.189 1.00 1.60 O ATOM 637 CB ALA A 47 1.334 -0.670 4.545 1.00 1.01 C ATOM 0 H ALA A 47 2.388 -3.264 4.111 1.00 0.94 H new ATOM 0 HA ALA A 47 -0.093 -2.131 5.220 1.00 0.98 H new ATOM 0 HB1 ALA A 47 0.576 0.061 4.265 1.00 1.01 H new ATOM 0 HB2 ALA A 47 1.689 -0.456 5.553 1.00 1.01 H new ATOM 0 HB3 ALA A 47 2.169 -0.613 3.846 1.00 1.01 H new ATOM 643 N TYR A 48 -1.236 -2.232 3.084 1.00 1.26 N ATOM 644 CA TYR A 48 -2.177 -2.852 2.142 1.00 1.40 C ATOM 645 C TYR A 48 -3.452 -1.991 1.995 1.00 0.95 C ATOM 646 O TYR A 48 -3.853 -1.322 2.950 1.00 1.01 O ATOM 647 CB TYR A 48 -2.522 -4.268 2.661 1.00 2.04 C ATOM 648 CG TYR A 48 -3.029 -4.306 4.098 1.00 1.54 C ATOM 649 CD1 TYR A 48 -2.116 -4.399 5.170 1.00 2.54 C ATOM 650 CD2 TYR A 48 -4.410 -4.194 4.366 1.00 2.51 C ATOM 651 CE1 TYR A 48 -2.568 -4.299 6.499 1.00 3.25 C ATOM 652 CE2 TYR A 48 -4.868 -4.114 5.695 1.00 3.65 C ATOM 653 CZ TYR A 48 -3.947 -4.138 6.765 1.00 3.69 C ATOM 654 OH TYR A 48 -4.390 -3.969 8.041 1.00 5.11 O ATOM 0 H TYR A 48 -1.710 -1.609 3.737 1.00 1.26 H new ATOM 0 HA TYR A 48 -1.721 -2.924 1.155 1.00 1.40 H new ATOM 0 HB2 TYR A 48 -3.279 -4.706 2.010 1.00 2.04 H new ATOM 0 HB3 TYR A 48 -1.634 -4.896 2.585 1.00 2.04 H new ATOM 0 HD1 TYR A 48 -1.065 -4.548 4.970 1.00 2.54 H new ATOM 0 HD2 TYR A 48 -5.117 -4.170 3.550 1.00 2.51 H new ATOM 0 HE1 TYR A 48 -1.862 -4.345 7.315 1.00 3.25 H new ATOM 0 HE2 TYR A 48 -5.926 -4.034 5.896 1.00 3.65 H new ATOM 0 HH TYR A 48 -5.365 -3.873 8.039 1.00 5.11 H new ATOM 664 N MET A 49 -4.118 -2.011 0.823 1.00 0.93 N ATOM 665 CA MET A 49 -5.279 -1.158 0.470 1.00 1.10 C ATOM 666 C MET A 49 -5.804 -1.349 -0.976 1.00 1.13 C ATOM 667 O MET A 49 -5.389 -2.286 -1.667 1.00 1.20 O ATOM 668 CB MET A 49 -4.944 0.320 0.756 1.00 1.75 C ATOM 669 CG MET A 49 -5.893 0.930 1.792 1.00 3.29 C ATOM 670 SD MET A 49 -7.512 1.417 1.155 1.00 5.62 S ATOM 671 CE MET A 49 -8.226 2.077 2.680 1.00 6.90 C ATOM 0 H MET A 49 -3.856 -2.643 0.067 1.00 0.93 H new ATOM 0 HA MET A 49 -6.103 -1.482 1.105 1.00 1.10 H new ATOM 0 HB2 MET A 49 -3.917 0.397 1.114 1.00 1.75 H new ATOM 0 HB3 MET A 49 -5.002 0.891 -0.170 1.00 1.75 H new ATOM 0 HG2 MET A 49 -6.038 0.210 2.597 1.00 3.29 H new ATOM 0 HG3 MET A 49 -5.414 1.806 2.230 1.00 3.29 H new ATOM 0 HE1 MET A 49 -9.238 2.431 2.484 1.00 6.90 H new ATOM 0 HE2 MET A 49 -8.256 1.293 3.437 1.00 6.90 H new ATOM 0 HE3 MET A 49 -7.615 2.905 3.039 1.00 6.90 H new ATOM 681 N THR A 50 -6.725 -0.471 -1.420 1.00 1.36 N ATOM 682 CA THR A 50 -7.455 -0.521 -2.702 1.00 1.59 C ATOM 683 C THR A 50 -7.792 0.874 -3.245 1.00 1.87 C ATOM 684 O THR A 50 -8.100 1.790 -2.487 1.00 2.14 O ATOM 685 CB THR A 50 -8.778 -1.286 -2.553 1.00 1.84 C ATOM 686 OG1 THR A 50 -9.475 -0.856 -1.410 1.00 2.84 O ATOM 687 CG2 THR A 50 -8.606 -2.798 -2.409 1.00 1.90 C ATOM 0 H THR A 50 -6.995 0.339 -0.861 1.00 1.36 H new ATOM 0 HA THR A 50 -6.787 -1.028 -3.399 1.00 1.59 H new ATOM 0 HB THR A 50 -9.322 -1.076 -3.474 1.00 1.84 H new ATOM 0 HG1 THR A 50 -10.316 -1.354 -1.333 1.00 2.84 H new ATOM 0 HG21 THR A 50 -9.585 -3.268 -2.309 1.00 1.90 H new ATOM 0 HG22 THR A 50 -8.103 -3.193 -3.292 1.00 1.90 H new ATOM 0 HG23 THR A 50 -8.008 -3.013 -1.524 1.00 1.90 H new ATOM 695 N LEU A 51 -7.789 1.039 -4.576 1.00 1.98 N ATOM 696 CA LEU A 51 -8.385 2.202 -5.277 1.00 2.14 C ATOM 697 C LEU A 51 -9.838 1.860 -5.650 1.00 1.97 C ATOM 698 O LEU A 51 -10.080 0.720 -6.060 1.00 1.93 O ATOM 699 CB LEU A 51 -7.527 2.547 -6.515 1.00 2.38 C ATOM 700 CG LEU A 51 -7.768 3.948 -7.127 1.00 3.23 C ATOM 701 CD1 LEU A 51 -6.469 4.494 -7.741 1.00 4.40 C ATOM 702 CD2 LEU A 51 -8.861 3.971 -8.205 1.00 4.12 C ATOM 0 H LEU A 51 -7.368 0.362 -5.212 1.00 1.98 H new ATOM 0 HA LEU A 51 -8.399 3.083 -4.635 1.00 2.14 H new ATOM 0 HB2 LEU A 51 -6.475 2.467 -6.240 1.00 2.38 H new ATOM 0 HB3 LEU A 51 -7.713 1.797 -7.284 1.00 2.38 H new ATOM 0 HG LEU A 51 -8.106 4.574 -6.301 1.00 3.23 H new ATOM 0 HD11 LEU A 51 -6.654 5.480 -8.167 1.00 4.40 H new ATOM 0 HD12 LEU A 51 -5.705 4.571 -6.967 1.00 4.40 H new ATOM 0 HD13 LEU A 51 -6.125 3.819 -8.524 1.00 4.40 H new ATOM 0 HD21 LEU A 51 -8.974 4.985 -8.587 1.00 4.12 H new ATOM 0 HD22 LEU A 51 -8.581 3.305 -9.021 1.00 4.12 H new ATOM 0 HD23 LEU A 51 -9.805 3.639 -7.773 1.00 4.12 H new ATOM 714 N THR A 52 -10.794 2.794 -5.484 1.00 2.27 N ATOM 715 CA THR A 52 -12.229 2.460 -5.458 1.00 2.29 C ATOM 716 C THR A 52 -13.069 3.367 -6.360 1.00 2.15 C ATOM 717 O THR A 52 -13.080 4.591 -6.252 1.00 2.49 O ATOM 718 CB THR A 52 -12.701 2.367 -4.003 1.00 2.97 C ATOM 719 OG1 THR A 52 -13.897 1.627 -3.981 1.00 3.28 O ATOM 720 CG2 THR A 52 -12.945 3.701 -3.307 1.00 3.98 C ATOM 0 H THR A 52 -10.597 3.788 -5.366 1.00 2.27 H new ATOM 0 HA THR A 52 -12.381 1.476 -5.902 1.00 2.29 H new ATOM 0 HB THR A 52 -11.889 1.893 -3.451 1.00 2.97 H new ATOM 0 HG1 THR A 52 -14.218 1.552 -3.058 1.00 3.28 H new ATOM 0 HG21 THR A 52 -13.275 3.522 -2.284 1.00 3.98 H new ATOM 0 HG22 THR A 52 -12.021 4.279 -3.294 1.00 3.98 H new ATOM 0 HG23 THR A 52 -13.713 4.257 -3.845 1.00 3.98 H new ATOM 728 N ASN A 53 -13.768 2.739 -7.299 1.00 1.94 N ATOM 729 CA ASN A 53 -14.407 3.388 -8.443 1.00 1.80 C ATOM 730 C ASN A 53 -15.894 3.640 -8.197 1.00 2.50 C ATOM 731 O ASN A 53 -16.636 2.723 -7.859 1.00 3.07 O ATOM 732 CB ASN A 53 -14.241 2.484 -9.678 1.00 1.75 C ATOM 733 CG ASN A 53 -12.865 2.578 -10.321 1.00 1.62 C ATOM 734 OD1 ASN A 53 -11.838 2.379 -9.698 1.00 2.68 O ATOM 735 ND2 ASN A 53 -12.846 2.881 -11.604 1.00 2.02 N ATOM 0 H ASN A 53 -13.912 1.729 -7.286 1.00 1.94 H new ATOM 0 HA ASN A 53 -13.929 4.355 -8.601 1.00 1.80 H new ATOM 0 HB2 ASN A 53 -14.428 1.450 -9.389 1.00 1.75 H new ATOM 0 HB3 ASN A 53 -14.997 2.750 -10.417 1.00 1.75 H new ATOM 0 HD21 ASN A 53 -11.956 2.953 -12.098 1.00 2.02 H new ATOM 0 HD22 ASN A 53 -13.721 3.043 -12.103 1.00 2.02 H new ATOM 742 N LYS A 54 -16.350 4.864 -8.473 1.00 2.67 N ATOM 743 CA LYS A 54 -17.784 5.242 -8.474 1.00 3.30 C ATOM 744 C LYS A 54 -18.260 5.693 -9.869 1.00 2.84 C ATOM 745 O LYS A 54 -19.193 6.475 -10.038 1.00 3.20 O ATOM 746 CB LYS A 54 -18.029 6.283 -7.366 1.00 4.28 C ATOM 747 CG LYS A 54 -17.987 5.595 -5.997 1.00 5.03 C ATOM 748 CD LYS A 54 -18.359 6.550 -4.856 1.00 6.14 C ATOM 749 CE LYS A 54 -19.051 5.787 -3.717 1.00 6.76 C ATOM 750 NZ LYS A 54 -20.452 5.440 -4.069 1.00 6.30 N ATOM 0 H LYS A 54 -15.731 5.640 -8.707 1.00 2.67 H new ATOM 0 HA LYS A 54 -18.395 4.368 -8.248 1.00 3.30 H new ATOM 0 HB2 LYS A 54 -17.272 7.066 -7.414 1.00 4.28 H new ATOM 0 HB3 LYS A 54 -18.996 6.765 -7.513 1.00 4.28 H new ATOM 0 HG2 LYS A 54 -18.673 4.748 -5.997 1.00 5.03 H new ATOM 0 HG3 LYS A 54 -16.988 5.196 -5.823 1.00 5.03 H new ATOM 0 HD2 LYS A 54 -17.462 7.042 -4.479 1.00 6.14 H new ATOM 0 HD3 LYS A 54 -19.019 7.333 -5.230 1.00 6.14 H new ATOM 0 HE2 LYS A 54 -18.494 4.877 -3.496 1.00 6.76 H new ATOM 0 HE3 LYS A 54 -19.042 6.394 -2.812 1.00 6.76 H new ATOM 0 HZ1 LYS A 54 -20.962 5.144 -3.212 1.00 6.30 H new ATOM 0 HZ2 LYS A 54 -20.922 6.271 -4.482 1.00 6.30 H new ATOM 0 HZ3 LYS A 54 -20.454 4.662 -4.759 1.00 6.30 H new ATOM 764 N SER A 55 -17.554 5.224 -10.891 1.00 2.21 N ATOM 765 CA SER A 55 -17.808 5.329 -12.331 1.00 1.77 C ATOM 766 C SER A 55 -16.796 4.423 -13.054 1.00 1.53 C ATOM 767 O SER A 55 -15.684 4.209 -12.555 1.00 2.20 O ATOM 768 CB SER A 55 -17.668 6.779 -12.832 1.00 2.13 C ATOM 769 OG SER A 55 -18.771 7.575 -12.440 1.00 2.59 O ATOM 0 H SER A 55 -16.695 4.703 -10.716 1.00 2.21 H new ATOM 0 HA SER A 55 -18.832 5.017 -12.539 1.00 1.77 H new ATOM 0 HB2 SER A 55 -16.748 7.213 -12.440 1.00 2.13 H new ATOM 0 HB3 SER A 55 -17.584 6.782 -13.919 1.00 2.13 H new ATOM 0 HG SER A 55 -19.220 7.158 -11.675 1.00 2.59 H new ATOM 775 N ASP A 56 -17.166 3.892 -14.220 1.00 1.85 N ATOM 776 CA ASP A 56 -16.350 2.985 -15.022 1.00 2.45 C ATOM 777 C ASP A 56 -15.251 3.785 -15.751 1.00 2.58 C ATOM 778 O ASP A 56 -15.343 4.098 -16.933 1.00 3.25 O ATOM 779 CB ASP A 56 -17.254 2.150 -15.953 1.00 3.48 C ATOM 780 CG ASP A 56 -18.508 1.582 -15.276 1.00 4.85 C ATOM 781 OD1 ASP A 56 -18.440 0.549 -14.563 1.00 6.23 O ATOM 782 OD2 ASP A 56 -19.586 2.164 -15.480 1.00 5.16 O ATOM 0 H ASP A 56 -18.072 4.089 -14.645 1.00 1.85 H new ATOM 0 HA ASP A 56 -15.831 2.265 -14.389 1.00 2.45 H new ATOM 0 HB2 ASP A 56 -17.560 2.771 -16.795 1.00 3.48 H new ATOM 0 HB3 ASP A 56 -16.671 1.325 -16.361 1.00 3.48 H new ATOM 787 N GLN A 57 -14.221 4.194 -15.003 1.00 2.21 N ATOM 788 CA GLN A 57 -13.096 5.034 -15.454 1.00 2.65 C ATOM 789 C GLN A 57 -11.734 4.390 -15.097 1.00 2.61 C ATOM 790 O GLN A 57 -11.570 3.939 -13.957 1.00 2.64 O ATOM 791 CB GLN A 57 -13.147 6.403 -14.742 1.00 2.73 C ATOM 792 CG GLN A 57 -14.396 7.256 -15.037 1.00 3.16 C ATOM 793 CD GLN A 57 -14.099 8.531 -15.841 1.00 4.42 C ATOM 794 OE1 GLN A 57 -13.537 8.523 -16.932 1.00 5.70 O ATOM 795 NE2 GLN A 57 -14.488 9.683 -15.342 1.00 4.62 N ATOM 0 H GLN A 57 -14.141 3.938 -14.019 1.00 2.21 H new ATOM 0 HA GLN A 57 -13.187 5.141 -16.535 1.00 2.65 H new ATOM 0 HB2 GLN A 57 -13.088 6.236 -13.666 1.00 2.73 H new ATOM 0 HB3 GLN A 57 -12.263 6.974 -15.025 1.00 2.73 H new ATOM 0 HG2 GLN A 57 -15.117 6.651 -15.587 1.00 3.16 H new ATOM 0 HG3 GLN A 57 -14.866 7.534 -14.094 1.00 3.16 H new ATOM 0 HE21 GLN A 57 -14.957 9.714 -14.437 1.00 4.62 H new ATOM 0 HE22 GLN A 57 -14.321 10.546 -15.860 1.00 4.62 H new ATOM 804 N PRO A 58 -10.740 4.385 -16.009 1.00 2.62 N ATOM 805 CA PRO A 58 -9.357 4.064 -15.680 1.00 2.52 C ATOM 806 C PRO A 58 -8.582 5.311 -15.217 1.00 2.53 C ATOM 807 O PRO A 58 -8.663 6.387 -15.806 1.00 2.96 O ATOM 808 CB PRO A 58 -8.779 3.451 -16.951 1.00 2.69 C ATOM 809 CG PRO A 58 -9.526 4.184 -18.065 1.00 2.95 C ATOM 810 CD PRO A 58 -10.887 4.531 -17.449 1.00 2.83 C ATOM 0 HA PRO A 58 -9.284 3.370 -14.842 1.00 2.52 H new ATOM 0 HB2 PRO A 58 -7.702 3.606 -17.019 1.00 2.69 H new ATOM 0 HB3 PRO A 58 -8.949 2.375 -16.992 1.00 2.69 H new ATOM 0 HG2 PRO A 58 -8.992 5.081 -18.378 1.00 2.95 H new ATOM 0 HG3 PRO A 58 -9.639 3.555 -18.948 1.00 2.95 H new ATOM 0 HD2 PRO A 58 -11.181 5.548 -17.707 1.00 2.83 H new ATOM 0 HD3 PRO A 58 -11.665 3.868 -17.828 1.00 2.83 H new ATOM 818 N ILE A 59 -7.794 5.130 -14.157 1.00 2.27 N ATOM 819 CA ILE A 59 -7.097 6.145 -13.347 1.00 2.22 C ATOM 820 C ILE A 59 -5.790 5.510 -12.849 1.00 1.93 C ATOM 821 O ILE A 59 -5.746 4.287 -12.669 1.00 2.28 O ATOM 822 CB ILE A 59 -8.004 6.562 -12.152 1.00 2.59 C ATOM 823 CG1 ILE A 59 -9.332 7.244 -12.569 1.00 3.42 C ATOM 824 CG2 ILE A 59 -7.275 7.448 -11.123 1.00 2.64 C ATOM 825 CD1 ILE A 59 -9.192 8.600 -13.278 1.00 4.18 C ATOM 0 H ILE A 59 -7.607 4.190 -13.808 1.00 2.27 H new ATOM 0 HA ILE A 59 -6.878 7.040 -13.929 1.00 2.22 H new ATOM 0 HB ILE A 59 -8.257 5.611 -11.683 1.00 2.59 H new ATOM 0 HG12 ILE A 59 -9.876 6.566 -13.226 1.00 3.42 H new ATOM 0 HG13 ILE A 59 -9.943 7.383 -11.677 1.00 3.42 H new ATOM 0 HG21 ILE A 59 -7.959 7.705 -10.315 1.00 2.64 H new ATOM 0 HG22 ILE A 59 -6.421 6.906 -10.717 1.00 2.64 H new ATOM 0 HG23 ILE A 59 -6.928 8.360 -11.609 1.00 2.64 H new ATOM 0 HD11 ILE A 59 -10.181 8.986 -13.524 1.00 4.18 H new ATOM 0 HD12 ILE A 59 -8.682 9.304 -12.620 1.00 4.18 H new ATOM 0 HD13 ILE A 59 -8.614 8.474 -14.193 1.00 4.18 H new ATOM 837 N LYS A 60 -4.735 6.304 -12.604 1.00 1.63 N ATOM 838 CA LYS A 60 -3.424 5.813 -12.139 1.00 1.76 C ATOM 839 C LYS A 60 -2.731 6.691 -11.082 1.00 1.46 C ATOM 840 O LYS A 60 -2.801 7.917 -11.131 1.00 1.66 O ATOM 841 CB LYS A 60 -2.500 5.527 -13.339 1.00 2.52 C ATOM 842 CG LYS A 60 -2.139 6.741 -14.218 1.00 3.33 C ATOM 843 CD LYS A 60 -1.962 6.352 -15.699 1.00 4.35 C ATOM 844 CE LYS A 60 -0.944 5.217 -15.904 1.00 6.31 C ATOM 845 NZ LYS A 60 -0.932 4.722 -17.304 1.00 7.42 N ATOM 0 H LYS A 60 -4.767 7.316 -12.724 1.00 1.63 H new ATOM 0 HA LYS A 60 -3.633 4.882 -11.611 1.00 1.76 H new ATOM 0 HB2 LYS A 60 -1.576 5.087 -12.964 1.00 2.52 H new ATOM 0 HB3 LYS A 60 -2.977 4.776 -13.969 1.00 2.52 H new ATOM 0 HG2 LYS A 60 -2.921 7.495 -14.133 1.00 3.33 H new ATOM 0 HG3 LYS A 60 -1.218 7.194 -13.850 1.00 3.33 H new ATOM 0 HD2 LYS A 60 -2.926 6.046 -16.106 1.00 4.35 H new ATOM 0 HD3 LYS A 60 -1.640 7.227 -16.263 1.00 4.35 H new ATOM 0 HE2 LYS A 60 0.052 5.571 -15.637 1.00 6.31 H new ATOM 0 HE3 LYS A 60 -1.180 4.393 -15.231 1.00 6.31 H new ATOM 0 HZ1 LYS A 60 -0.232 3.958 -17.396 1.00 7.42 H new ATOM 0 HZ2 LYS A 60 -1.875 4.359 -17.552 1.00 7.42 H new ATOM 0 HZ3 LYS A 60 -0.681 5.501 -17.946 1.00 7.42 H new ATOM 859 N LEU A 61 -2.002 6.062 -10.146 1.00 1.40 N ATOM 860 CA LEU A 61 -1.464 6.688 -8.923 1.00 1.57 C ATOM 861 C LEU A 61 -0.208 5.942 -8.427 1.00 1.74 C ATOM 862 O LEU A 61 -0.161 5.470 -7.304 1.00 3.21 O ATOM 863 CB LEU A 61 -2.626 6.758 -7.900 1.00 2.00 C ATOM 864 CG LEU A 61 -2.345 7.407 -6.523 1.00 2.05 C ATOM 865 CD1 LEU A 61 -1.625 8.756 -6.645 1.00 2.29 C ATOM 866 CD2 LEU A 61 -3.683 7.607 -5.804 1.00 3.26 C ATOM 0 H LEU A 61 -1.762 5.073 -10.220 1.00 1.40 H new ATOM 0 HA LEU A 61 -1.111 7.703 -9.103 1.00 1.57 H new ATOM 0 HB2 LEU A 61 -3.447 7.304 -8.365 1.00 2.00 H new ATOM 0 HB3 LEU A 61 -2.978 5.741 -7.724 1.00 2.00 H new ATOM 0 HG LEU A 61 -1.687 6.743 -5.962 1.00 2.05 H new ATOM 0 HD11 LEU A 61 -1.452 9.168 -5.651 1.00 2.29 H new ATOM 0 HD12 LEU A 61 -0.669 8.614 -7.150 1.00 2.29 H new ATOM 0 HD13 LEU A 61 -2.241 9.446 -7.221 1.00 2.29 H new ATOM 0 HD21 LEU A 61 -3.508 8.064 -4.830 1.00 3.26 H new ATOM 0 HD22 LEU A 61 -4.323 8.258 -6.400 1.00 3.26 H new ATOM 0 HD23 LEU A 61 -4.172 6.642 -5.670 1.00 3.26 H new ATOM 878 N VAL A 62 0.785 5.777 -9.304 1.00 1.39 N ATOM 879 CA VAL A 62 1.838 4.734 -9.286 1.00 1.42 C ATOM 880 C VAL A 62 2.996 5.028 -8.310 1.00 2.17 C ATOM 881 O VAL A 62 4.171 5.040 -8.663 1.00 3.43 O ATOM 882 CB VAL A 62 2.270 4.384 -10.734 1.00 2.79 C ATOM 883 CG1 VAL A 62 2.923 5.554 -11.495 1.00 3.36 C ATOM 884 CG2 VAL A 62 3.107 3.099 -10.833 1.00 3.63 C ATOM 0 H VAL A 62 0.890 6.404 -10.101 1.00 1.39 H new ATOM 0 HA VAL A 62 1.406 3.828 -8.862 1.00 1.42 H new ATOM 0 HB VAL A 62 1.329 4.181 -11.246 1.00 2.79 H new ATOM 0 HG11 VAL A 62 3.196 5.228 -12.499 1.00 3.36 H new ATOM 0 HG12 VAL A 62 2.218 6.383 -11.562 1.00 3.36 H new ATOM 0 HG13 VAL A 62 3.817 5.880 -10.963 1.00 3.36 H new ATOM 0 HG21 VAL A 62 3.373 2.917 -11.874 1.00 3.63 H new ATOM 0 HG22 VAL A 62 4.015 3.210 -10.241 1.00 3.63 H new ATOM 0 HG23 VAL A 62 2.527 2.257 -10.454 1.00 3.63 H new ATOM 894 N GLY A 63 2.630 5.268 -7.054 1.00 2.12 N ATOM 895 CA GLY A 63 3.555 5.379 -5.923 1.00 3.29 C ATOM 896 C GLY A 63 2.996 4.792 -4.629 1.00 1.76 C ATOM 897 O GLY A 63 1.883 5.129 -4.234 1.00 0.89 O ATOM 0 H GLY A 63 1.655 5.395 -6.784 1.00 2.12 H new ATOM 0 HA2 GLY A 63 4.486 4.871 -6.172 1.00 3.29 H new ATOM 0 HA3 GLY A 63 3.798 6.429 -5.763 1.00 3.29 H new ATOM 901 N ALA A 64 3.796 3.980 -3.939 1.00 2.27 N ATOM 902 CA ALA A 64 3.492 3.440 -2.617 1.00 1.74 C ATOM 903 C ALA A 64 4.808 3.138 -1.884 1.00 1.61 C ATOM 904 O ALA A 64 5.490 2.163 -2.204 1.00 2.03 O ATOM 905 CB ALA A 64 2.609 2.191 -2.772 1.00 2.96 C ATOM 0 H ALA A 64 4.700 3.671 -4.296 1.00 2.27 H new ATOM 0 HA ALA A 64 2.937 4.163 -2.019 1.00 1.74 H new ATOM 0 HB1 ALA A 64 2.379 1.784 -1.788 1.00 2.96 H new ATOM 0 HB2 ALA A 64 1.682 2.461 -3.279 1.00 2.96 H new ATOM 0 HB3 ALA A 64 3.139 1.442 -3.360 1.00 2.96 H new ATOM 911 N ALA A 65 5.181 4.002 -0.935 1.00 1.23 N ATOM 912 CA ALA A 65 6.442 3.928 -0.190 1.00 1.20 C ATOM 913 C ALA A 65 6.329 4.593 1.198 1.00 1.13 C ATOM 914 O ALA A 65 5.278 5.152 1.540 1.00 1.14 O ATOM 915 CB ALA A 65 7.551 4.554 -1.053 1.00 1.23 C ATOM 0 H ALA A 65 4.600 4.792 -0.656 1.00 1.23 H new ATOM 0 HA ALA A 65 6.691 2.886 0.009 1.00 1.20 H new ATOM 0 HB1 ALA A 65 8.499 4.509 -0.516 1.00 1.23 H new ATOM 0 HB2 ALA A 65 7.638 4.003 -1.990 1.00 1.23 H new ATOM 0 HB3 ALA A 65 7.303 5.594 -1.265 1.00 1.23 H new ATOM 921 N THR A 66 7.406 4.531 1.997 1.00 1.15 N ATOM 922 CA THR A 66 7.446 4.974 3.402 1.00 1.21 C ATOM 923 C THR A 66 8.882 5.029 3.950 1.00 1.26 C ATOM 924 O THR A 66 9.650 4.113 3.652 1.00 1.31 O ATOM 925 CB THR A 66 6.564 4.067 4.274 1.00 1.38 C ATOM 926 OG1 THR A 66 6.683 4.518 5.604 1.00 1.59 O ATOM 927 CG2 THR A 66 6.954 2.583 4.232 1.00 1.56 C ATOM 0 H THR A 66 8.300 4.160 1.675 1.00 1.15 H new ATOM 0 HA THR A 66 7.051 5.989 3.437 1.00 1.21 H new ATOM 0 HB THR A 66 5.548 4.130 3.885 1.00 1.38 H new ATOM 0 HG1 THR A 66 6.129 3.960 6.189 1.00 1.59 H new ATOM 0 HG21 THR A 66 6.283 2.012 4.874 1.00 1.56 H new ATOM 0 HG22 THR A 66 6.877 2.215 3.209 1.00 1.56 H new ATOM 0 HG23 THR A 66 7.979 2.466 4.584 1.00 1.56 H new ATOM 935 N PRO A 67 9.242 6.056 4.759 1.00 1.36 N ATOM 936 CA PRO A 67 10.523 6.145 5.458 1.00 1.42 C ATOM 937 C PRO A 67 10.513 5.504 6.861 1.00 1.42 C ATOM 938 O PRO A 67 11.553 5.498 7.522 1.00 1.52 O ATOM 939 CB PRO A 67 10.793 7.650 5.549 1.00 1.61 C ATOM 940 CG PRO A 67 9.397 8.230 5.766 1.00 1.67 C ATOM 941 CD PRO A 67 8.499 7.302 4.945 1.00 1.51 C ATOM 0 HA PRO A 67 11.294 5.592 4.922 1.00 1.42 H new ATOM 0 HB2 PRO A 67 11.464 7.892 6.373 1.00 1.61 H new ATOM 0 HB3 PRO A 67 11.254 8.034 4.639 1.00 1.61 H new ATOM 0 HG2 PRO A 67 9.120 8.229 6.820 1.00 1.67 H new ATOM 0 HG3 PRO A 67 9.332 9.262 5.421 1.00 1.67 H new ATOM 0 HD2 PRO A 67 7.557 7.118 5.462 1.00 1.51 H new ATOM 0 HD3 PRO A 67 8.252 7.753 3.984 1.00 1.51 H new ATOM 949 N LEU A 68 9.368 4.988 7.344 1.00 1.36 N ATOM 950 CA LEU A 68 9.251 4.399 8.690 1.00 1.36 C ATOM 951 C LEU A 68 9.967 3.043 8.822 1.00 1.31 C ATOM 952 O LEU A 68 10.295 2.636 9.937 1.00 1.45 O ATOM 953 CB LEU A 68 7.763 4.229 9.071 1.00 1.55 C ATOM 954 CG LEU A 68 7.054 5.478 9.630 1.00 1.77 C ATOM 955 CD1 LEU A 68 6.828 6.582 8.590 1.00 2.55 C ATOM 956 CD2 LEU A 68 5.697 5.055 10.209 1.00 3.23 C ATOM 0 H LEU A 68 8.498 4.968 6.812 1.00 1.36 H new ATOM 0 HA LEU A 68 9.742 5.093 9.372 1.00 1.36 H new ATOM 0 HB2 LEU A 68 7.220 3.894 8.187 1.00 1.55 H new ATOM 0 HB3 LEU A 68 7.688 3.433 9.812 1.00 1.55 H new ATOM 0 HG LEU A 68 7.710 5.898 10.392 1.00 1.77 H new ATOM 0 HD11 LEU A 68 6.324 7.427 9.060 1.00 2.55 H new ATOM 0 HD12 LEU A 68 7.788 6.908 8.191 1.00 2.55 H new ATOM 0 HD13 LEU A 68 6.210 6.197 7.779 1.00 2.55 H new ATOM 0 HD21 LEU A 68 5.183 5.929 10.609 1.00 3.23 H new ATOM 0 HD22 LEU A 68 5.090 4.606 9.423 1.00 3.23 H new ATOM 0 HD23 LEU A 68 5.852 4.329 11.007 1.00 3.23 H new ATOM 968 N ALA A 69 10.186 2.346 7.706 1.00 1.29 N ATOM 969 CA ALA A 69 10.867 1.059 7.645 1.00 1.33 C ATOM 970 C ALA A 69 12.347 1.255 7.299 1.00 1.43 C ATOM 971 O ALA A 69 12.678 2.001 6.376 1.00 1.63 O ATOM 972 CB ALA A 69 10.153 0.204 6.591 1.00 1.40 C ATOM 0 H ALA A 69 9.882 2.676 6.790 1.00 1.29 H new ATOM 0 HA ALA A 69 10.831 0.556 8.611 1.00 1.33 H new ATOM 0 HB1 ALA A 69 10.640 -0.769 6.521 1.00 1.40 H new ATOM 0 HB2 ALA A 69 9.110 0.068 6.878 1.00 1.40 H new ATOM 0 HB3 ALA A 69 10.200 0.704 5.624 1.00 1.40 H new ATOM 978 N THR A 70 13.227 0.521 7.987 1.00 1.50 N ATOM 979 CA THR A 70 14.657 0.391 7.651 1.00 1.78 C ATOM 980 C THR A 70 14.849 -0.409 6.357 1.00 1.93 C ATOM 981 O THR A 70 15.896 -0.338 5.722 1.00 2.43 O ATOM 982 CB THR A 70 15.426 -0.199 8.843 1.00 1.96 C ATOM 983 OG1 THR A 70 15.174 0.610 9.973 1.00 2.18 O ATOM 984 CG2 THR A 70 16.943 -0.211 8.650 1.00 2.19 C ATOM 0 H THR A 70 12.963 -0.014 8.814 1.00 1.50 H new ATOM 0 HA THR A 70 15.073 1.380 7.458 1.00 1.78 H new ATOM 0 HB THR A 70 15.086 -1.229 8.954 1.00 1.96 H new ATOM 0 HG1 THR A 70 14.315 0.358 10.371 1.00 2.18 H new ATOM 0 HG21 THR A 70 17.419 -0.641 9.531 1.00 2.19 H new ATOM 0 HG22 THR A 70 17.194 -0.809 7.774 1.00 2.19 H new ATOM 0 HG23 THR A 70 17.300 0.809 8.507 1.00 2.19 H new ATOM 992 N SER A 71 13.833 -1.134 5.897 1.00 1.59 N ATOM 993 CA SER A 71 13.692 -1.563 4.502 1.00 1.55 C ATOM 994 C SER A 71 12.213 -1.647 4.085 1.00 1.37 C ATOM 995 O SER A 71 11.525 -2.608 4.455 1.00 1.30 O ATOM 996 CB SER A 71 14.423 -2.893 4.282 1.00 1.62 C ATOM 997 OG SER A 71 15.818 -2.662 4.387 1.00 2.23 O ATOM 0 H SER A 71 13.067 -1.448 6.493 1.00 1.59 H new ATOM 0 HA SER A 71 14.155 -0.812 3.861 1.00 1.55 H new ATOM 0 HB2 SER A 71 14.104 -3.627 5.021 1.00 1.62 H new ATOM 0 HB3 SER A 71 14.179 -3.302 3.301 1.00 1.62 H new ATOM 0 HG SER A 71 15.978 -1.722 4.611 1.00 2.23 H new ATOM 1003 N PRO A 72 11.709 -0.665 3.308 1.00 1.35 N ATOM 1004 CA PRO A 72 10.425 -0.787 2.642 1.00 1.21 C ATOM 1005 C PRO A 72 10.596 -1.717 1.436 1.00 1.14 C ATOM 1006 O PRO A 72 11.364 -1.446 0.512 1.00 1.23 O ATOM 1007 CB PRO A 72 10.017 0.637 2.256 1.00 1.29 C ATOM 1008 CG PRO A 72 11.355 1.345 2.043 1.00 1.47 C ATOM 1009 CD PRO A 72 12.297 0.642 3.021 1.00 1.50 C ATOM 0 HA PRO A 72 9.643 -1.224 3.264 1.00 1.21 H new ATOM 0 HB2 PRO A 72 9.408 0.649 1.352 1.00 1.29 H new ATOM 0 HB3 PRO A 72 9.431 1.114 3.042 1.00 1.29 H new ATOM 0 HG2 PRO A 72 11.700 1.247 1.014 1.00 1.47 H new ATOM 0 HG3 PRO A 72 11.282 2.412 2.254 1.00 1.47 H new ATOM 0 HD2 PRO A 72 13.291 0.532 2.588 1.00 1.50 H new ATOM 0 HD3 PRO A 72 12.410 1.224 3.935 1.00 1.50 H new ATOM 1017 N MET A 73 9.875 -2.833 1.467 1.00 1.07 N ATOM 1018 CA MET A 73 9.775 -3.828 0.405 1.00 0.90 C ATOM 1019 C MET A 73 8.451 -3.625 -0.335 1.00 0.75 C ATOM 1020 O MET A 73 7.452 -4.274 -0.030 1.00 1.06 O ATOM 1021 CB MET A 73 9.846 -5.226 1.027 1.00 1.10 C ATOM 1022 CG MET A 73 11.245 -5.622 1.509 1.00 1.54 C ATOM 1023 SD MET A 73 12.441 -5.967 0.191 1.00 1.94 S ATOM 1024 CE MET A 73 13.337 -4.397 0.142 1.00 3.26 C ATOM 0 H MET A 73 9.313 -3.081 2.281 1.00 1.07 H new ATOM 0 HA MET A 73 10.595 -3.721 -0.306 1.00 0.90 H new ATOM 0 HB2 MET A 73 9.156 -5.273 1.869 1.00 1.10 H new ATOM 0 HB3 MET A 73 9.505 -5.957 0.294 1.00 1.10 H new ATOM 0 HG2 MET A 73 11.638 -4.820 2.134 1.00 1.54 H new ATOM 0 HG3 MET A 73 11.158 -6.506 2.141 1.00 1.54 H new ATOM 0 HE1 MET A 73 13.530 -4.121 -0.894 1.00 3.26 H new ATOM 0 HE2 MET A 73 12.738 -3.621 0.619 1.00 3.26 H new ATOM 0 HE3 MET A 73 14.284 -4.502 0.672 1.00 3.26 H new ATOM 1034 N LEU A 74 8.442 -2.683 -1.277 1.00 1.22 N ATOM 1035 CA LEU A 74 7.278 -2.389 -2.104 1.00 1.46 C ATOM 1036 C LEU A 74 7.119 -3.440 -3.218 1.00 1.56 C ATOM 1037 O LEU A 74 8.023 -3.615 -4.035 1.00 1.64 O ATOM 1038 CB LEU A 74 7.284 -0.911 -2.578 1.00 1.74 C ATOM 1039 CG LEU A 74 8.577 -0.174 -3.015 1.00 2.08 C ATOM 1040 CD1 LEU A 74 9.393 0.355 -1.823 1.00 2.53 C ATOM 1041 CD2 LEU A 74 9.484 -0.953 -3.980 1.00 3.12 C ATOM 0 H LEU A 74 9.251 -2.098 -1.488 1.00 1.22 H new ATOM 0 HA LEU A 74 6.371 -2.477 -1.505 1.00 1.46 H new ATOM 0 HB2 LEU A 74 6.594 -0.852 -3.420 1.00 1.74 H new ATOM 0 HB3 LEU A 74 6.851 -0.324 -1.769 1.00 1.74 H new ATOM 0 HG LEU A 74 8.196 0.674 -3.584 1.00 2.08 H new ATOM 0 HD11 LEU A 74 10.286 0.861 -2.189 1.00 2.53 H new ATOM 0 HD12 LEU A 74 8.787 1.057 -1.250 1.00 2.53 H new ATOM 0 HD13 LEU A 74 9.685 -0.478 -1.183 1.00 2.53 H new ATOM 0 HD21 LEU A 74 10.359 -0.350 -4.223 1.00 3.12 H new ATOM 0 HD22 LEU A 74 9.803 -1.883 -3.509 1.00 3.12 H new ATOM 0 HD23 LEU A 74 8.934 -1.179 -4.894 1.00 3.12 H new ATOM 1053 N MET A 75 5.978 -4.141 -3.240 1.00 1.68 N ATOM 1054 CA MET A 75 5.735 -5.284 -4.134 1.00 1.86 C ATOM 1055 C MET A 75 4.266 -5.694 -4.246 1.00 1.76 C ATOM 1056 O MET A 75 3.433 -5.268 -3.453 1.00 2.12 O ATOM 1057 CB MET A 75 6.647 -6.466 -3.747 1.00 2.10 C ATOM 1058 CG MET A 75 6.512 -6.892 -2.285 1.00 2.28 C ATOM 1059 SD MET A 75 7.675 -8.181 -1.792 1.00 2.32 S ATOM 1060 CE MET A 75 6.974 -8.449 -0.146 1.00 3.70 C ATOM 0 H MET A 75 5.188 -3.929 -2.631 1.00 1.68 H new ATOM 0 HA MET A 75 5.996 -4.954 -5.139 1.00 1.86 H new ATOM 0 HB2 MET A 75 6.415 -7.317 -4.387 1.00 2.10 H new ATOM 0 HB3 MET A 75 7.684 -6.193 -3.943 1.00 2.10 H new ATOM 0 HG2 MET A 75 6.658 -6.020 -1.647 1.00 2.28 H new ATOM 0 HG3 MET A 75 5.496 -7.247 -2.112 1.00 2.28 H new ATOM 0 HE1 MET A 75 7.541 -9.225 0.369 1.00 3.70 H new ATOM 0 HE2 MET A 75 7.024 -7.523 0.426 1.00 3.70 H new ATOM 0 HE3 MET A 75 5.934 -8.761 -0.240 1.00 3.70 H new ATOM 1070 N THR A 76 3.978 -6.507 -5.275 1.00 1.50 N ATOM 1071 CA THR A 76 2.686 -7.024 -5.764 1.00 1.47 C ATOM 1072 C THR A 76 3.018 -8.100 -6.812 1.00 1.67 C ATOM 1073 O THR A 76 4.006 -7.937 -7.524 1.00 2.04 O ATOM 1074 CB THR A 76 1.805 -5.954 -6.426 1.00 1.68 C ATOM 1075 OG1 THR A 76 2.558 -5.159 -7.304 1.00 3.41 O ATOM 1076 CG2 THR A 76 1.034 -5.023 -5.496 1.00 2.70 C ATOM 0 H THR A 76 4.738 -6.862 -5.856 1.00 1.50 H new ATOM 0 HA THR A 76 2.121 -7.403 -4.913 1.00 1.47 H new ATOM 0 HB THR A 76 1.053 -6.551 -6.942 1.00 1.68 H new ATOM 0 HG1 THR A 76 2.484 -5.516 -8.214 1.00 3.41 H new ATOM 0 HG21 THR A 76 0.453 -4.316 -6.088 1.00 2.70 H new ATOM 0 HG22 THR A 76 0.362 -5.609 -4.869 1.00 2.70 H new ATOM 0 HG23 THR A 76 1.735 -4.477 -4.865 1.00 2.70 H new ATOM 1084 N THR A 77 2.246 -9.189 -6.922 1.00 1.61 N ATOM 1085 CA THR A 77 2.542 -10.368 -7.758 1.00 1.95 C ATOM 1086 C THR A 77 1.499 -10.571 -8.870 1.00 2.27 C ATOM 1087 O THR A 77 1.290 -9.698 -9.708 1.00 3.53 O ATOM 1088 CB THR A 77 2.748 -11.599 -6.854 1.00 1.93 C ATOM 1089 OG1 THR A 77 1.593 -11.937 -6.116 1.00 2.09 O ATOM 1090 CG2 THR A 77 3.931 -11.472 -5.900 1.00 3.17 C ATOM 0 H THR A 77 1.366 -9.280 -6.415 1.00 1.61 H new ATOM 0 HA THR A 77 3.475 -10.203 -8.297 1.00 1.95 H new ATOM 0 HB THR A 77 2.968 -12.403 -7.557 1.00 1.93 H new ATOM 0 HG1 THR A 77 1.028 -11.143 -6.012 1.00 2.09 H new ATOM 0 HG21 THR A 77 4.011 -12.377 -5.297 1.00 3.17 H new ATOM 0 HG22 THR A 77 4.848 -11.335 -6.473 1.00 3.17 H new ATOM 0 HG23 THR A 77 3.781 -10.613 -5.246 1.00 3.17 H new ATOM 1098 N THR A 78 0.859 -11.734 -8.923 1.00 1.89 N ATOM 1099 CA THR A 78 -0.361 -12.000 -9.692 1.00 1.97 C ATOM 1100 C THR A 78 -1.534 -11.403 -8.930 1.00 2.10 C ATOM 1101 O THR A 78 -1.638 -11.611 -7.729 1.00 3.50 O ATOM 1102 CB THR A 78 -0.557 -13.507 -9.863 1.00 3.38 C ATOM 1103 OG1 THR A 78 -0.372 -14.137 -8.612 1.00 4.15 O ATOM 1104 CG2 THR A 78 0.450 -14.070 -10.867 1.00 4.88 C ATOM 0 H THR A 78 1.186 -12.554 -8.412 1.00 1.89 H new ATOM 0 HA THR A 78 -0.288 -11.553 -10.684 1.00 1.97 H new ATOM 0 HB THR A 78 -1.563 -13.695 -10.237 1.00 3.38 H new ATOM 0 HG1 THR A 78 -0.793 -13.599 -7.909 1.00 4.15 H new ATOM 0 HG21 THR A 78 0.295 -15.143 -10.975 1.00 4.88 H new ATOM 0 HG22 THR A 78 0.311 -13.584 -11.833 1.00 4.88 H new ATOM 0 HG23 THR A 78 1.463 -13.884 -10.510 1.00 4.88 H new ATOM 1112 N HIS A 79 -2.417 -10.684 -9.616 1.00 2.27 N ATOM 1113 CA HIS A 79 -3.677 -10.232 -9.023 1.00 3.37 C ATOM 1114 C HIS A 79 -4.783 -11.282 -9.201 1.00 3.02 C ATOM 1115 O HIS A 79 -4.991 -12.108 -8.320 1.00 4.28 O ATOM 1116 CB HIS A 79 -4.045 -8.799 -9.477 1.00 5.36 C ATOM 1117 CG HIS A 79 -5.439 -8.325 -9.101 1.00 6.71 C ATOM 1118 ND1 HIS A 79 -6.202 -7.404 -9.790 1.00 8.15 N ATOM 1119 CD2 HIS A 79 -6.226 -8.788 -8.078 1.00 7.33 C ATOM 1120 CE1 HIS A 79 -7.420 -7.357 -9.233 1.00 9.26 C ATOM 1121 NE2 HIS A 79 -7.480 -8.179 -8.170 1.00 8.86 N ATOM 0 H HIS A 79 -2.285 -10.400 -10.587 1.00 2.27 H new ATOM 0 HA HIS A 79 -3.548 -10.144 -7.944 1.00 3.37 H new ATOM 0 HB2 HIS A 79 -3.319 -8.106 -9.052 1.00 5.36 H new ATOM 0 HB3 HIS A 79 -3.943 -8.744 -10.561 1.00 5.36 H new ATOM 0 HD2 HIS A 79 -5.927 -9.504 -7.327 1.00 7.33 H new ATOM 0 HE1 HIS A 79 -8.237 -6.746 -9.587 1.00 9.26 H new ATOM 0 HE2 HIS A 79 -8.280 -8.328 -7.555 1.00 8.86 H new ATOM 1129 N SER A 80 -5.535 -11.231 -10.298 1.00 2.48 N ATOM 1130 CA SER A 80 -6.848 -11.899 -10.414 1.00 3.57 C ATOM 1131 C SER A 80 -7.499 -11.681 -11.801 1.00 3.59 C ATOM 1132 O SER A 80 -6.795 -11.601 -12.817 1.00 3.90 O ATOM 1133 CB SER A 80 -7.785 -11.491 -9.245 1.00 4.48 C ATOM 1134 OG SER A 80 -8.792 -12.469 -9.062 1.00 5.99 O ATOM 0 H SER A 80 -5.258 -10.726 -11.140 1.00 2.48 H new ATOM 0 HA SER A 80 -6.678 -12.973 -10.333 1.00 3.57 H new ATOM 0 HB2 SER A 80 -7.207 -11.378 -8.328 1.00 4.48 H new ATOM 0 HB3 SER A 80 -8.241 -10.524 -9.455 1.00 4.48 H new ATOM 0 HG SER A 80 -9.376 -12.203 -8.321 1.00 5.99 H new ATOM 1140 N GLY A 81 -8.838 -11.572 -11.866 1.00 4.00 N ATOM 1141 CA GLY A 81 -9.678 -11.611 -13.071 1.00 4.48 C ATOM 1142 C GLY A 81 -9.663 -10.318 -13.880 1.00 3.79 C ATOM 1143 O GLY A 81 -10.715 -9.831 -14.286 1.00 4.36 O ATOM 0 H GLY A 81 -9.396 -11.446 -11.022 1.00 4.00 H new ATOM 0 HA2 GLY A 81 -9.344 -12.430 -13.708 1.00 4.48 H new ATOM 0 HA3 GLY A 81 -10.704 -11.833 -12.779 1.00 4.48 H new ATOM 1147 N GLY A 82 -8.467 -9.778 -14.122 1.00 3.20 N ATOM 1148 CA GLY A 82 -8.223 -8.574 -14.922 1.00 3.18 C ATOM 1149 C GLY A 82 -6.825 -7.952 -14.824 1.00 3.03 C ATOM 1150 O GLY A 82 -6.685 -6.813 -15.255 1.00 3.76 O ATOM 0 H GLY A 82 -7.607 -10.183 -13.752 1.00 3.20 H new ATOM 0 HA2 GLY A 82 -8.415 -8.816 -15.967 1.00 3.18 H new ATOM 0 HA3 GLY A 82 -8.952 -7.818 -14.630 1.00 3.18 H new ATOM 1154 N MET A 83 -5.814 -8.639 -14.249 1.00 2.58 N ATOM 1155 CA MET A 83 -4.439 -8.121 -14.036 1.00 2.40 C ATOM 1156 C MET A 83 -3.496 -9.211 -13.487 1.00 2.05 C ATOM 1157 O MET A 83 -3.921 -9.983 -12.624 1.00 2.35 O ATOM 1158 CB MET A 83 -4.545 -6.926 -13.068 1.00 2.83 C ATOM 1159 CG MET A 83 -3.266 -6.437 -12.388 1.00 3.61 C ATOM 1160 SD MET A 83 -3.643 -5.125 -11.200 1.00 5.72 S ATOM 1161 CE MET A 83 -3.731 -3.727 -12.347 1.00 6.01 C ATOM 0 H MET A 83 -5.932 -9.594 -13.910 1.00 2.58 H new ATOM 0 HA MET A 83 -4.006 -7.804 -14.985 1.00 2.40 H new ATOM 0 HB2 MET A 83 -4.972 -6.088 -13.618 1.00 2.83 H new ATOM 0 HB3 MET A 83 -5.258 -7.191 -12.287 1.00 2.83 H new ATOM 0 HG2 MET A 83 -2.777 -7.268 -11.879 1.00 3.61 H new ATOM 0 HG3 MET A 83 -2.567 -6.067 -13.138 1.00 3.61 H new ATOM 0 HE1 MET A 83 -3.851 -2.801 -11.784 1.00 6.01 H new ATOM 0 HE2 MET A 83 -2.813 -3.679 -12.933 1.00 6.01 H new ATOM 0 HE3 MET A 83 -4.582 -3.858 -13.016 1.00 6.01 H new ATOM 1171 N ALA A 84 -2.214 -9.229 -13.891 1.00 1.90 N ATOM 1172 CA ALA A 84 -1.177 -10.135 -13.371 1.00 1.79 C ATOM 1173 C ALA A 84 0.251 -9.667 -13.729 1.00 1.98 C ATOM 1174 O ALA A 84 0.498 -9.276 -14.875 1.00 2.37 O ATOM 1175 CB ALA A 84 -1.421 -11.561 -13.895 1.00 2.05 C ATOM 0 H ALA A 84 -1.861 -8.596 -14.609 1.00 1.90 H new ATOM 0 HA ALA A 84 -1.249 -10.125 -12.283 1.00 1.79 H new ATOM 0 HB1 ALA A 84 -0.651 -12.228 -13.507 1.00 2.05 H new ATOM 0 HB2 ALA A 84 -2.400 -11.907 -13.565 1.00 2.05 H new ATOM 0 HB3 ALA A 84 -1.385 -11.559 -14.984 1.00 2.05 H new ATOM 1181 N GLY A 85 1.174 -9.741 -12.760 1.00 2.03 N ATOM 1182 CA GLY A 85 2.578 -9.354 -12.930 1.00 2.49 C ATOM 1183 C GLY A 85 3.536 -10.153 -12.043 1.00 2.08 C ATOM 1184 O GLY A 85 3.321 -11.344 -11.791 1.00 2.33 O ATOM 0 H GLY A 85 0.960 -10.077 -11.821 1.00 2.03 H new ATOM 0 HA2 GLY A 85 2.862 -9.489 -13.974 1.00 2.49 H new ATOM 0 HA3 GLY A 85 2.685 -8.293 -12.706 1.00 2.49 H new ATOM 1188 N MET A 86 4.606 -9.497 -11.577 1.00 2.44 N ATOM 1189 CA MET A 86 5.662 -10.064 -10.725 1.00 2.30 C ATOM 1190 C MET A 86 6.166 -9.046 -9.689 1.00 2.06 C ATOM 1191 O MET A 86 6.125 -7.844 -9.934 1.00 2.96 O ATOM 1192 CB MET A 86 6.840 -10.572 -11.582 1.00 3.52 C ATOM 1193 CG MET A 86 7.442 -9.497 -12.503 1.00 4.86 C ATOM 1194 SD MET A 86 9.152 -9.808 -13.008 1.00 6.15 S ATOM 1195 CE MET A 86 9.989 -9.262 -11.495 1.00 6.88 C ATOM 0 H MET A 86 4.768 -8.513 -11.792 1.00 2.44 H new ATOM 0 HA MET A 86 5.225 -10.905 -10.186 1.00 2.30 H new ATOM 0 HB2 MET A 86 7.620 -10.952 -10.923 1.00 3.52 H new ATOM 0 HB3 MET A 86 6.501 -11.411 -12.190 1.00 3.52 H new ATOM 0 HG2 MET A 86 6.823 -9.414 -13.396 1.00 4.86 H new ATOM 0 HG3 MET A 86 7.397 -8.534 -11.994 1.00 4.86 H new ATOM 0 HE1 MET A 86 11.068 -9.345 -11.626 1.00 6.88 H new ATOM 0 HE2 MET A 86 9.727 -8.224 -11.289 1.00 6.88 H new ATOM 0 HE3 MET A 86 9.676 -9.888 -10.660 1.00 6.88 H new ATOM 1205 N LYS A 87 6.659 -9.541 -8.546 1.00 1.65 N ATOM 1206 CA LYS A 87 7.127 -8.741 -7.410 1.00 1.84 C ATOM 1207 C LYS A 87 8.191 -7.666 -7.738 1.00 1.52 C ATOM 1208 O LYS A 87 8.999 -7.814 -8.653 1.00 2.25 O ATOM 1209 CB LYS A 87 7.537 -9.688 -6.258 1.00 3.16 C ATOM 1210 CG LYS A 87 8.991 -10.203 -6.312 1.00 3.87 C ATOM 1211 CD LYS A 87 9.885 -9.499 -5.273 1.00 5.56 C ATOM 1212 CE LYS A 87 9.677 -10.092 -3.869 1.00 6.69 C ATOM 1213 NZ LYS A 87 10.547 -11.272 -3.648 1.00 7.76 N ATOM 0 H LYS A 87 6.745 -10.544 -8.383 1.00 1.65 H new ATOM 0 HA LYS A 87 6.286 -8.126 -7.089 1.00 1.84 H new ATOM 0 HB2 LYS A 87 7.388 -9.168 -5.312 1.00 3.16 H new ATOM 0 HB3 LYS A 87 6.865 -10.546 -6.259 1.00 3.16 H new ATOM 0 HG2 LYS A 87 9.003 -11.278 -6.133 1.00 3.87 H new ATOM 0 HG3 LYS A 87 9.397 -10.041 -7.310 1.00 3.87 H new ATOM 0 HD2 LYS A 87 10.931 -9.599 -5.562 1.00 5.56 H new ATOM 0 HD3 LYS A 87 9.659 -8.433 -5.258 1.00 5.56 H new ATOM 0 HE2 LYS A 87 9.891 -9.333 -3.116 1.00 6.69 H new ATOM 0 HE3 LYS A 87 8.633 -10.379 -3.744 1.00 6.69 H new ATOM 0 HZ1 LYS A 87 10.384 -11.650 -2.693 1.00 7.76 H new ATOM 0 HZ2 LYS A 87 10.324 -12.004 -4.352 1.00 7.76 H new ATOM 0 HZ3 LYS A 87 11.544 -10.991 -3.744 1.00 7.76 H new ATOM 1227 N MET A 88 8.181 -6.621 -6.903 1.00 1.99 N ATOM 1228 CA MET A 88 8.868 -5.322 -6.956 1.00 2.19 C ATOM 1229 C MET A 88 7.870 -4.266 -7.459 1.00 1.78 C ATOM 1230 O MET A 88 6.684 -4.429 -7.201 1.00 2.49 O ATOM 1231 CB MET A 88 10.237 -5.340 -7.666 1.00 3.06 C ATOM 1232 CG MET A 88 11.150 -4.291 -7.011 1.00 4.19 C ATOM 1233 SD MET A 88 12.503 -3.671 -8.038 1.00 5.25 S ATOM 1234 CE MET A 88 13.404 -5.205 -8.360 1.00 5.09 C ATOM 0 H MET A 88 7.613 -6.674 -6.058 1.00 1.99 H new ATOM 0 HA MET A 88 9.175 -5.043 -5.948 1.00 2.19 H new ATOM 0 HB2 MET A 88 10.687 -6.330 -7.593 1.00 3.06 H new ATOM 0 HB3 MET A 88 10.114 -5.123 -8.727 1.00 3.06 H new ATOM 0 HG2 MET A 88 10.536 -3.445 -6.703 1.00 4.19 H new ATOM 0 HG3 MET A 88 11.575 -4.723 -6.105 1.00 4.19 H new ATOM 0 HE1 MET A 88 14.301 -4.985 -8.939 1.00 5.09 H new ATOM 0 HE2 MET A 88 13.687 -5.666 -7.414 1.00 5.09 H new ATOM 0 HE3 MET A 88 12.768 -5.890 -8.921 1.00 5.09 H new ATOM 1244 N VAL A 89 8.322 -3.190 -8.111 1.00 2.33 N ATOM 1245 CA VAL A 89 7.596 -1.919 -8.355 1.00 2.32 C ATOM 1246 C VAL A 89 6.058 -2.068 -8.471 1.00 2.16 C ATOM 1247 O VAL A 89 5.562 -2.496 -9.518 1.00 2.41 O ATOM 1248 CB VAL A 89 8.165 -1.143 -9.574 1.00 2.48 C ATOM 1249 CG1 VAL A 89 9.517 -0.512 -9.195 1.00 3.36 C ATOM 1250 CG2 VAL A 89 8.378 -1.991 -10.845 1.00 3.27 C ATOM 0 H VAL A 89 9.260 -3.172 -8.511 1.00 2.33 H new ATOM 0 HA VAL A 89 7.773 -1.332 -7.454 1.00 2.32 H new ATOM 0 HB VAL A 89 7.407 -0.398 -9.816 1.00 2.48 H new ATOM 0 HG11 VAL A 89 9.917 0.033 -10.050 1.00 3.36 H new ATOM 0 HG12 VAL A 89 9.377 0.175 -8.361 1.00 3.36 H new ATOM 0 HG13 VAL A 89 10.216 -1.296 -8.905 1.00 3.36 H new ATOM 0 HG21 VAL A 89 8.777 -1.361 -11.640 1.00 3.27 H new ATOM 0 HG22 VAL A 89 9.081 -2.796 -10.632 1.00 3.27 H new ATOM 0 HG23 VAL A 89 7.426 -2.416 -11.163 1.00 3.27 H new ATOM 1260 N PRO A 90 5.287 -1.762 -7.402 1.00 1.92 N ATOM 1261 CA PRO A 90 3.867 -2.067 -7.370 1.00 1.83 C ATOM 1262 C PRO A 90 3.073 -1.063 -8.196 1.00 1.70 C ATOM 1263 O PRO A 90 3.150 0.151 -7.999 1.00 2.68 O ATOM 1264 CB PRO A 90 3.456 -2.069 -5.898 1.00 1.98 C ATOM 1265 CG PRO A 90 4.446 -1.097 -5.268 1.00 1.93 C ATOM 1266 CD PRO A 90 5.721 -1.321 -6.085 1.00 1.94 C ATOM 0 HA PRO A 90 3.657 -3.039 -7.817 1.00 1.83 H new ATOM 0 HB2 PRO A 90 2.426 -1.739 -5.766 1.00 1.98 H new ATOM 0 HB3 PRO A 90 3.531 -3.064 -5.459 1.00 1.98 H new ATOM 0 HG2 PRO A 90 4.099 -0.066 -5.338 1.00 1.93 H new ATOM 0 HG3 PRO A 90 4.602 -1.310 -4.210 1.00 1.93 H new ATOM 0 HD2 PRO A 90 6.305 -0.403 -6.155 1.00 1.94 H new ATOM 0 HD3 PRO A 90 6.358 -2.069 -5.614 1.00 1.94 H new ATOM 1274 N TRP A 91 2.291 -1.596 -9.131 1.00 1.56 N ATOM 1275 CA TRP A 91 1.430 -0.816 -10.001 1.00 1.51 C ATOM 1276 C TRP A 91 0.179 -0.324 -9.272 1.00 1.74 C ATOM 1277 O TRP A 91 -0.311 -0.900 -8.298 1.00 2.33 O ATOM 1278 CB TRP A 91 1.054 -1.636 -11.240 1.00 2.03 C ATOM 1279 CG TRP A 91 0.615 -3.030 -10.920 1.00 2.38 C ATOM 1280 CD1 TRP A 91 -0.623 -3.398 -10.518 1.00 2.29 C ATOM 1281 CD2 TRP A 91 1.450 -4.224 -10.793 1.00 3.03 C ATOM 1282 NE1 TRP A 91 -0.616 -4.734 -10.190 1.00 2.76 N ATOM 1283 CE2 TRP A 91 0.636 -5.288 -10.311 1.00 3.25 C ATOM 1284 CE3 TRP A 91 2.826 -4.502 -10.973 1.00 3.58 C ATOM 1285 CZ2 TRP A 91 1.144 -6.558 -10.028 1.00 3.95 C ATOM 1286 CZ3 TRP A 91 3.350 -5.778 -10.691 1.00 4.31 C ATOM 1287 CH2 TRP A 91 2.514 -6.805 -10.222 1.00 4.49 C ATOM 0 H TRP A 91 2.241 -2.600 -9.304 1.00 1.56 H new ATOM 0 HA TRP A 91 1.984 0.068 -10.316 1.00 1.51 H new ATOM 0 HB2 TRP A 91 0.254 -1.125 -11.775 1.00 2.03 H new ATOM 0 HB3 TRP A 91 1.911 -1.678 -11.912 1.00 2.03 H new ATOM 0 HD1 TRP A 91 -1.482 -2.746 -10.463 1.00 2.29 H new ATOM 0 HE1 TRP A 91 -1.442 -5.252 -9.892 1.00 2.76 H new ATOM 0 HE3 TRP A 91 3.484 -3.724 -11.332 1.00 3.58 H new ATOM 0 HZ2 TRP A 91 0.493 -7.340 -9.665 1.00 3.95 H new ATOM 0 HZ3 TRP A 91 4.403 -5.969 -10.836 1.00 4.31 H new ATOM 0 HH2 TRP A 91 2.923 -7.782 -10.011 1.00 4.49 H new ATOM 1298 N LEU A 92 -0.379 0.746 -9.834 1.00 1.86 N ATOM 1299 CA LEU A 92 -1.484 1.490 -9.250 1.00 2.49 C ATOM 1300 C LEU A 92 -2.320 2.163 -10.346 1.00 2.11 C ATOM 1301 O LEU A 92 -2.676 3.331 -10.239 1.00 2.73 O ATOM 1302 CB LEU A 92 -0.901 2.405 -8.149 1.00 3.73 C ATOM 1303 CG LEU A 92 -1.529 2.146 -6.770 1.00 4.94 C ATOM 1304 CD1 LEU A 92 -0.510 2.412 -5.651 1.00 6.46 C ATOM 1305 CD2 LEU A 92 -2.790 3.003 -6.581 1.00 5.77 C ATOM 0 H LEU A 92 -0.066 1.125 -10.728 1.00 1.86 H new ATOM 0 HA LEU A 92 -2.213 0.850 -8.753 1.00 2.49 H new ATOM 0 HB2 LEU A 92 0.176 2.252 -8.088 1.00 3.73 H new ATOM 0 HB3 LEU A 92 -1.060 3.447 -8.426 1.00 3.73 H new ATOM 0 HG LEU A 92 -1.821 1.097 -6.717 1.00 4.94 H new ATOM 0 HD11 LEU A 92 -0.975 2.223 -4.683 1.00 6.46 H new ATOM 0 HD12 LEU A 92 0.349 1.752 -5.776 1.00 6.46 H new ATOM 0 HD13 LEU A 92 -0.180 3.450 -5.698 1.00 6.46 H new ATOM 0 HD21 LEU A 92 -3.220 2.806 -5.599 1.00 5.77 H new ATOM 0 HD22 LEU A 92 -2.528 4.058 -6.657 1.00 5.77 H new ATOM 0 HD23 LEU A 92 -3.518 2.754 -7.353 1.00 5.77 H new ATOM 1317 N THR A 93 -2.624 1.388 -11.398 1.00 2.03 N ATOM 1318 CA THR A 93 -3.517 1.721 -12.527 1.00 2.34 C ATOM 1319 C THR A 93 -4.768 0.840 -12.459 1.00 2.03 C ATOM 1320 O THR A 93 -4.649 -0.374 -12.304 1.00 2.40 O ATOM 1321 CB THR A 93 -2.776 1.505 -13.853 1.00 3.55 C ATOM 1322 OG1 THR A 93 -1.607 2.294 -13.857 1.00 4.04 O ATOM 1323 CG2 THR A 93 -3.618 1.908 -15.065 1.00 4.37 C ATOM 0 H THR A 93 -2.230 0.452 -11.492 1.00 2.03 H new ATOM 0 HA THR A 93 -3.818 2.767 -12.465 1.00 2.34 H new ATOM 0 HB THR A 93 -2.550 0.441 -13.929 1.00 3.55 H new ATOM 0 HG1 THR A 93 -1.126 2.161 -14.700 1.00 4.04 H new ATOM 0 HG21 THR A 93 -3.048 1.736 -15.978 1.00 4.37 H new ATOM 0 HG22 THR A 93 -4.530 1.312 -15.089 1.00 4.37 H new ATOM 0 HG23 THR A 93 -3.877 2.964 -14.993 1.00 4.37 H new ATOM 1331 N ILE A 94 -5.966 1.424 -12.541 1.00 1.79 N ATOM 1332 CA ILE A 94 -7.233 0.695 -12.311 1.00 1.70 C ATOM 1333 C ILE A 94 -7.902 0.245 -13.632 1.00 1.77 C ATOM 1334 O ILE A 94 -8.224 1.091 -14.468 1.00 2.05 O ATOM 1335 CB ILE A 94 -8.146 1.520 -11.360 1.00 2.14 C ATOM 1336 CG1 ILE A 94 -8.926 0.665 -10.337 1.00 3.29 C ATOM 1337 CG2 ILE A 94 -9.080 2.525 -12.048 1.00 3.18 C ATOM 1338 CD1 ILE A 94 -9.987 -0.284 -10.901 1.00 4.64 C ATOM 0 H ILE A 94 -6.094 2.410 -12.767 1.00 1.79 H new ATOM 0 HA ILE A 94 -7.024 -0.245 -11.801 1.00 1.70 H new ATOM 0 HB ILE A 94 -7.417 2.114 -10.809 1.00 2.14 H new ATOM 0 HG12 ILE A 94 -8.207 0.073 -9.770 1.00 3.29 H new ATOM 0 HG13 ILE A 94 -9.412 1.338 -9.631 1.00 3.29 H new ATOM 0 HG21 ILE A 94 -9.672 3.046 -11.295 1.00 3.18 H new ATOM 0 HG22 ILE A 94 -8.487 3.248 -12.608 1.00 3.18 H new ATOM 0 HG23 ILE A 94 -9.746 1.995 -12.730 1.00 3.18 H new ATOM 0 HD11 ILE A 94 -10.462 -0.826 -10.083 1.00 4.64 H new ATOM 0 HD12 ILE A 94 -10.739 0.291 -11.441 1.00 4.64 H new ATOM 0 HD13 ILE A 94 -9.516 -0.994 -11.581 1.00 4.64 H new ATOM 1350 N PRO A 95 -8.128 -1.068 -13.858 1.00 2.12 N ATOM 1351 CA PRO A 95 -9.020 -1.536 -14.913 1.00 2.63 C ATOM 1352 C PRO A 95 -10.470 -1.452 -14.420 1.00 2.55 C ATOM 1353 O PRO A 95 -10.809 -2.046 -13.396 1.00 2.96 O ATOM 1354 CB PRO A 95 -8.572 -2.965 -15.214 1.00 3.31 C ATOM 1355 CG PRO A 95 -8.045 -3.469 -13.866 1.00 3.23 C ATOM 1356 CD PRO A 95 -7.483 -2.205 -13.203 1.00 2.51 C ATOM 0 HA PRO A 95 -8.977 -0.936 -15.822 1.00 2.63 H new ATOM 0 HB2 PRO A 95 -9.399 -3.577 -15.575 1.00 3.31 H new ATOM 0 HB3 PRO A 95 -7.798 -2.989 -15.981 1.00 3.31 H new ATOM 0 HG2 PRO A 95 -8.838 -3.917 -13.267 1.00 3.23 H new ATOM 0 HG3 PRO A 95 -7.275 -4.230 -13.996 1.00 3.23 H new ATOM 0 HD2 PRO A 95 -7.690 -2.204 -12.133 1.00 2.51 H new ATOM 0 HD3 PRO A 95 -6.400 -2.156 -13.318 1.00 2.51 H new ATOM 1364 N ALA A 96 -11.308 -0.690 -15.133 1.00 2.61 N ATOM 1365 CA ALA A 96 -12.650 -0.257 -14.730 1.00 2.60 C ATOM 1366 C ALA A 96 -13.678 -1.408 -14.574 1.00 2.70 C ATOM 1367 O ALA A 96 -14.525 -1.600 -15.446 1.00 3.43 O ATOM 1368 CB ALA A 96 -13.092 0.800 -15.756 1.00 2.79 C ATOM 0 H ALA A 96 -11.053 -0.340 -16.057 1.00 2.61 H new ATOM 0 HA ALA A 96 -12.608 0.161 -13.724 1.00 2.60 H new ATOM 0 HB1 ALA A 96 -14.090 1.158 -15.502 1.00 2.79 H new ATOM 0 HB2 ALA A 96 -12.392 1.635 -15.742 1.00 2.79 H new ATOM 0 HB3 ALA A 96 -13.108 0.356 -16.752 1.00 2.79 H new ATOM 1374 N ARG A 97 -13.587 -2.121 -13.439 1.00 2.66 N ATOM 1375 CA ARG A 97 -14.440 -3.205 -12.892 1.00 2.78 C ATOM 1376 C ARG A 97 -13.694 -4.176 -11.952 1.00 2.98 C ATOM 1377 O ARG A 97 -14.319 -4.788 -11.083 1.00 3.59 O ATOM 1378 CB ARG A 97 -15.195 -4.024 -13.967 1.00 3.04 C ATOM 1379 CG ARG A 97 -14.291 -4.789 -14.956 1.00 2.78 C ATOM 1380 CD ARG A 97 -15.129 -5.611 -15.944 1.00 3.07 C ATOM 1381 NE ARG A 97 -14.285 -6.347 -16.903 1.00 3.83 N ATOM 1382 CZ ARG A 97 -13.676 -7.514 -16.719 1.00 5.02 C ATOM 1383 NH1 ARG A 97 -13.671 -8.171 -15.575 1.00 5.76 N ATOM 1384 NH2 ARG A 97 -13.012 -8.054 -17.713 1.00 6.32 N ATOM 0 H ARG A 97 -12.817 -1.931 -12.797 1.00 2.66 H new ATOM 0 HA ARG A 97 -15.176 -2.654 -12.306 1.00 2.78 H new ATOM 0 HB2 ARG A 97 -15.847 -4.739 -13.466 1.00 3.04 H new ATOM 0 HB3 ARG A 97 -15.837 -3.349 -14.532 1.00 3.04 H new ATOM 0 HG2 ARG A 97 -13.666 -4.083 -15.503 1.00 2.78 H new ATOM 0 HG3 ARG A 97 -13.620 -5.449 -14.406 1.00 2.78 H new ATOM 0 HD2 ARG A 97 -15.751 -6.316 -15.393 1.00 3.07 H new ATOM 0 HD3 ARG A 97 -15.803 -4.948 -16.487 1.00 3.07 H new ATOM 0 HE ARG A 97 -14.153 -5.909 -17.815 1.00 3.83 H new ATOM 0 HH11 ARG A 97 -14.155 -7.786 -14.764 1.00 5.76 H new ATOM 0 HH12 ARG A 97 -13.183 -9.064 -15.502 1.00 5.76 H new ATOM 0 HH21 ARG A 97 -12.967 -7.579 -18.614 1.00 6.32 H new ATOM 0 HH22 ARG A 97 -12.540 -8.949 -17.585 1.00 6.32 H new ATOM 1398 N GLY A 98 -12.368 -4.330 -12.111 1.00 2.74 N ATOM 1399 CA GLY A 98 -11.607 -5.451 -11.531 1.00 2.92 C ATOM 1400 C GLY A 98 -10.969 -5.145 -10.176 1.00 2.73 C ATOM 1401 O GLY A 98 -10.585 -6.088 -9.491 1.00 3.85 O ATOM 0 H GLY A 98 -11.793 -3.680 -12.646 1.00 2.74 H new ATOM 0 HA2 GLY A 98 -12.272 -6.308 -11.421 1.00 2.92 H new ATOM 0 HA3 GLY A 98 -10.824 -5.743 -12.230 1.00 2.92 H new ATOM 1405 N THR A 99 -10.841 -3.850 -9.838 1.00 2.07 N ATOM 1406 CA THR A 99 -10.294 -3.275 -8.595 1.00 1.88 C ATOM 1407 C THR A 99 -8.772 -3.389 -8.560 1.00 1.48 C ATOM 1408 O THR A 99 -8.196 -4.441 -8.806 1.00 1.57 O ATOM 1409 CB THR A 99 -10.936 -3.891 -7.342 1.00 2.46 C ATOM 1410 OG1 THR A 99 -12.310 -3.595 -7.427 1.00 3.20 O ATOM 1411 CG2 THR A 99 -10.421 -3.298 -6.027 1.00 2.98 C ATOM 0 H THR A 99 -11.142 -3.117 -10.480 1.00 2.07 H new ATOM 0 HA THR A 99 -10.549 -2.215 -8.589 1.00 1.88 H new ATOM 0 HB THR A 99 -10.700 -4.955 -7.324 1.00 2.46 H new ATOM 0 HG1 THR A 99 -12.774 -3.968 -6.648 1.00 3.20 H new ATOM 0 HG21 THR A 99 -10.921 -3.783 -5.189 1.00 2.98 H new ATOM 0 HG22 THR A 99 -9.346 -3.460 -5.951 1.00 2.98 H new ATOM 0 HG23 THR A 99 -10.630 -2.228 -6.004 1.00 2.98 H new ATOM 1419 N LEU A 100 -8.099 -2.293 -8.217 1.00 1.43 N ATOM 1420 CA LEU A 100 -6.688 -2.334 -7.790 1.00 1.34 C ATOM 1421 C LEU A 100 -6.559 -3.000 -6.420 1.00 1.22 C ATOM 1422 O LEU A 100 -7.042 -2.449 -5.432 1.00 1.31 O ATOM 1423 CB LEU A 100 -6.113 -0.912 -7.719 1.00 1.75 C ATOM 1424 CG LEU A 100 -5.370 -0.503 -8.995 1.00 2.58 C ATOM 1425 CD1 LEU A 100 -5.206 1.016 -8.944 1.00 3.92 C ATOM 1426 CD2 LEU A 100 -4.014 -1.225 -9.100 1.00 3.50 C ATOM 0 H LEU A 100 -8.504 -1.357 -8.224 1.00 1.43 H new ATOM 0 HA LEU A 100 -6.129 -2.916 -8.523 1.00 1.34 H new ATOM 0 HB2 LEU A 100 -6.924 -0.207 -7.535 1.00 1.75 H new ATOM 0 HB3 LEU A 100 -5.432 -0.843 -6.871 1.00 1.75 H new ATOM 0 HG LEU A 100 -5.931 -0.790 -9.884 1.00 2.58 H new ATOM 0 HD11 LEU A 100 -4.680 1.355 -9.836 1.00 3.92 H new ATOM 0 HD12 LEU A 100 -6.188 1.487 -8.901 1.00 3.92 H new ATOM 0 HD13 LEU A 100 -4.633 1.291 -8.058 1.00 3.92 H new ATOM 0 HD21 LEU A 100 -3.507 -0.917 -10.015 1.00 3.50 H new ATOM 0 HD22 LEU A 100 -3.397 -0.968 -8.239 1.00 3.50 H new ATOM 0 HD23 LEU A 100 -4.176 -2.303 -9.121 1.00 3.50 H new ATOM 1438 N THR A 101 -5.867 -4.143 -6.366 1.00 1.27 N ATOM 1439 CA THR A 101 -5.786 -5.017 -5.192 1.00 1.37 C ATOM 1440 C THR A 101 -4.352 -5.044 -4.672 1.00 1.21 C ATOM 1441 O THR A 101 -3.534 -5.823 -5.159 1.00 1.94 O ATOM 1442 CB THR A 101 -6.270 -6.411 -5.609 1.00 2.20 C ATOM 1443 OG1 THR A 101 -7.603 -6.299 -6.061 1.00 2.91 O ATOM 1444 CG2 THR A 101 -6.305 -7.453 -4.494 1.00 2.75 C ATOM 0 H THR A 101 -5.333 -4.495 -7.160 1.00 1.27 H new ATOM 0 HA THR A 101 -6.416 -4.651 -4.381 1.00 1.37 H new ATOM 0 HB THR A 101 -5.554 -6.747 -6.359 1.00 2.20 H new ATOM 0 HG1 THR A 101 -7.755 -6.933 -6.792 1.00 2.91 H new ATOM 0 HG21 THR A 101 -6.661 -8.402 -4.894 1.00 2.75 H new ATOM 0 HG22 THR A 101 -5.302 -7.584 -4.087 1.00 2.75 H new ATOM 0 HG23 THR A 101 -6.976 -7.118 -3.704 1.00 2.75 H new ATOM 1452 N LEU A 102 -4.053 -4.214 -3.669 1.00 1.15 N ATOM 1453 CA LEU A 102 -2.811 -4.293 -2.895 1.00 1.52 C ATOM 1454 C LEU A 102 -3.167 -4.979 -1.570 1.00 1.24 C ATOM 1455 O LEU A 102 -3.291 -4.337 -0.531 1.00 1.29 O ATOM 1456 CB LEU A 102 -2.180 -2.891 -2.715 1.00 2.20 C ATOM 1457 CG LEU A 102 -1.497 -2.277 -3.961 1.00 3.04 C ATOM 1458 CD1 LEU A 102 -2.472 -1.885 -5.084 1.00 4.21 C ATOM 1459 CD2 LEU A 102 -0.731 -1.018 -3.529 1.00 3.70 C ATOM 0 H LEU A 102 -4.672 -3.461 -3.369 1.00 1.15 H new ATOM 0 HA LEU A 102 -2.047 -4.876 -3.409 1.00 1.52 H new ATOM 0 HB2 LEU A 102 -2.959 -2.206 -2.381 1.00 2.20 H new ATOM 0 HB3 LEU A 102 -1.442 -2.949 -1.915 1.00 2.20 H new ATOM 0 HG LEU A 102 -0.842 -3.048 -4.366 1.00 3.04 H new ATOM 0 HD11 LEU A 102 -1.914 -1.463 -5.920 1.00 4.21 H new ATOM 0 HD12 LEU A 102 -3.015 -2.769 -5.420 1.00 4.21 H new ATOM 0 HD13 LEU A 102 -3.179 -1.145 -4.710 1.00 4.21 H new ATOM 0 HD21 LEU A 102 -0.244 -0.573 -4.397 1.00 3.70 H new ATOM 0 HD22 LEU A 102 -1.427 -0.300 -3.096 1.00 3.70 H new ATOM 0 HD23 LEU A 102 0.022 -1.287 -2.788 1.00 3.70 H new ATOM 1471 N GLN A 103 -3.446 -6.284 -1.613 1.00 1.17 N ATOM 1472 CA GLN A 103 -3.931 -7.104 -0.483 1.00 1.22 C ATOM 1473 C GLN A 103 -3.034 -8.349 -0.349 1.00 1.25 C ATOM 1474 O GLN A 103 -2.311 -8.659 -1.292 1.00 1.29 O ATOM 1475 CB GLN A 103 -5.397 -7.551 -0.718 1.00 1.55 C ATOM 1476 CG GLN A 103 -6.440 -6.482 -1.131 1.00 1.99 C ATOM 1477 CD GLN A 103 -6.867 -5.501 -0.040 1.00 2.12 C ATOM 1478 OE1 GLN A 103 -8.033 -5.380 0.320 1.00 2.43 O ATOM 1479 NE2 GLN A 103 -5.955 -4.729 0.513 1.00 3.24 N ATOM 0 H GLN A 103 -3.338 -6.828 -2.469 1.00 1.17 H new ATOM 0 HA GLN A 103 -3.893 -6.508 0.429 1.00 1.22 H new ATOM 0 HB2 GLN A 103 -5.389 -8.321 -1.489 1.00 1.55 H new ATOM 0 HB3 GLN A 103 -5.751 -8.022 0.199 1.00 1.55 H new ATOM 0 HG2 GLN A 103 -6.033 -5.911 -1.966 1.00 1.99 H new ATOM 0 HG3 GLN A 103 -7.329 -6.994 -1.498 1.00 1.99 H new ATOM 0 HE21 GLN A 103 -4.978 -4.811 0.230 1.00 3.24 H new ATOM 0 HE22 GLN A 103 -6.225 -4.049 1.224 1.00 3.24 H new ATOM 1488 N ARG A 104 -3.093 -9.110 0.757 1.00 1.44 N ATOM 1489 CA ARG A 104 -2.277 -10.343 0.891 1.00 1.68 C ATOM 1490 C ARG A 104 -2.613 -11.406 -0.175 1.00 1.93 C ATOM 1491 O ARG A 104 -1.759 -12.219 -0.503 1.00 2.31 O ATOM 1492 CB ARG A 104 -2.343 -10.906 2.328 1.00 1.87 C ATOM 1493 CG ARG A 104 -1.076 -11.683 2.759 1.00 2.57 C ATOM 1494 CD ARG A 104 -1.090 -13.212 2.580 1.00 3.48 C ATOM 1495 NE ARG A 104 0.229 -13.791 2.925 1.00 4.19 N ATOM 1496 CZ ARG A 104 0.478 -14.808 3.750 1.00 4.56 C ATOM 1497 NH1 ARG A 104 -0.457 -15.571 4.282 1.00 4.42 N ATOM 1498 NH2 ARG A 104 1.727 -15.114 4.029 1.00 5.74 N ATOM 0 H ARG A 104 -3.684 -8.904 1.562 1.00 1.44 H new ATOM 0 HA ARG A 104 -1.242 -10.058 0.701 1.00 1.68 H new ATOM 0 HB2 ARG A 104 -2.505 -10.082 3.023 1.00 1.87 H new ATOM 0 HB3 ARG A 104 -3.207 -11.566 2.409 1.00 1.87 H new ATOM 0 HG2 ARG A 104 -0.230 -11.286 2.199 1.00 2.57 H new ATOM 0 HG3 ARG A 104 -0.890 -11.468 3.811 1.00 2.57 H new ATOM 0 HD2 ARG A 104 -1.862 -13.650 3.213 1.00 3.48 H new ATOM 0 HD3 ARG A 104 -1.344 -13.460 1.549 1.00 3.48 H new ATOM 0 HE ARG A 104 1.040 -13.362 2.480 1.00 4.19 H new ATOM 0 HH11 ARG A 104 -1.439 -15.398 4.069 1.00 4.42 H new ATOM 0 HH12 ARG A 104 -0.198 -16.334 4.907 1.00 4.42 H new ATOM 0 HH21 ARG A 104 2.488 -14.576 3.616 1.00 5.74 H new ATOM 0 HH22 ARG A 104 1.934 -15.889 4.659 1.00 5.74 H new ATOM 1512 N ASP A 105 -3.814 -11.352 -0.751 1.00 1.94 N ATOM 1513 CA ASP A 105 -4.233 -12.118 -1.927 1.00 2.25 C ATOM 1514 C ASP A 105 -3.310 -11.921 -3.144 1.00 2.03 C ATOM 1515 O ASP A 105 -3.016 -12.880 -3.864 1.00 2.24 O ATOM 1516 CB ASP A 105 -5.657 -11.677 -2.297 1.00 2.64 C ATOM 1517 CG ASP A 105 -6.677 -11.980 -1.203 1.00 2.85 C ATOM 1518 OD1 ASP A 105 -7.170 -13.126 -1.188 1.00 3.32 O ATOM 1519 OD2 ASP A 105 -6.972 -11.087 -0.376 1.00 3.40 O ATOM 0 H ASP A 105 -4.554 -10.747 -0.396 1.00 1.94 H new ATOM 0 HA ASP A 105 -4.186 -13.176 -1.670 1.00 2.25 H new ATOM 0 HB2 ASP A 105 -5.659 -10.606 -2.501 1.00 2.64 H new ATOM 0 HB3 ASP A 105 -5.959 -12.178 -3.217 1.00 2.64 H new ATOM 1524 N GLY A 106 -2.846 -10.682 -3.380 1.00 1.96 N ATOM 1525 CA GLY A 106 -2.055 -10.290 -4.560 1.00 2.14 C ATOM 1526 C GLY A 106 -0.608 -9.898 -4.246 1.00 1.85 C ATOM 1527 O GLY A 106 0.207 -9.848 -5.161 1.00 2.39 O ATOM 0 H GLY A 106 -3.015 -9.906 -2.740 1.00 1.96 H new ATOM 0 HA2 GLY A 106 -2.049 -11.117 -5.270 1.00 2.14 H new ATOM 0 HA3 GLY A 106 -2.548 -9.451 -5.051 1.00 2.14 H new ATOM 1531 N ASP A 107 -0.315 -9.635 -2.970 1.00 1.70 N ATOM 1532 CA ASP A 107 0.946 -9.160 -2.368 1.00 2.36 C ATOM 1533 C ASP A 107 0.905 -7.619 -2.238 1.00 1.61 C ATOM 1534 O ASP A 107 -0.014 -6.964 -2.737 1.00 1.78 O ATOM 1535 CB ASP A 107 2.215 -9.731 -3.047 1.00 4.03 C ATOM 1536 CG ASP A 107 3.532 -9.436 -2.317 1.00 5.51 C ATOM 1537 OD1 ASP A 107 3.495 -9.329 -1.067 1.00 6.23 O ATOM 1538 OD2 ASP A 107 4.548 -9.299 -3.037 1.00 6.36 O ATOM 0 H ASP A 107 -1.028 -9.761 -2.252 1.00 1.70 H new ATOM 0 HA ASP A 107 1.027 -9.564 -1.359 1.00 2.36 H new ATOM 0 HB2 ASP A 107 2.103 -10.811 -3.141 1.00 4.03 H new ATOM 0 HB3 ASP A 107 2.280 -9.329 -4.058 1.00 4.03 H new ATOM 1543 N HIS A 108 1.818 -7.039 -1.462 1.00 1.38 N ATOM 1544 CA HIS A 108 1.699 -5.672 -0.957 1.00 1.14 C ATOM 1545 C HIS A 108 3.033 -5.168 -0.364 1.00 0.98 C ATOM 1546 O HIS A 108 4.047 -5.867 -0.396 1.00 1.24 O ATOM 1547 CB HIS A 108 0.491 -5.605 0.007 1.00 1.60 C ATOM 1548 CG HIS A 108 0.635 -6.484 1.215 1.00 1.97 C ATOM 1549 ND1 HIS A 108 0.444 -7.851 1.233 1.00 2.76 N ATOM 1550 CD2 HIS A 108 0.993 -6.122 2.480 1.00 3.04 C ATOM 1551 CE1 HIS A 108 0.694 -8.284 2.468 1.00 3.21 C ATOM 1552 NE2 HIS A 108 1.016 -7.270 3.277 1.00 3.34 N ATOM 0 H HIS A 108 2.672 -7.510 -1.162 1.00 1.38 H new ATOM 0 HA HIS A 108 1.497 -4.976 -1.771 1.00 1.14 H new ATOM 0 HB2 HIS A 108 0.354 -4.574 0.333 1.00 1.60 H new ATOM 0 HB3 HIS A 108 -0.411 -5.891 -0.534 1.00 1.60 H new ATOM 0 HD1 HIS A 108 0.161 -8.428 0.441 1.00 2.76 H new ATOM 0 HD2 HIS A 108 1.220 -5.119 2.810 1.00 3.04 H new ATOM 0 HE1 HIS A 108 0.643 -9.318 2.775 1.00 3.21 H new ATOM 1560 N VAL A 109 3.060 -3.946 0.178 1.00 0.98 N ATOM 1561 CA VAL A 109 4.307 -3.304 0.627 1.00 0.94 C ATOM 1562 C VAL A 109 4.614 -3.688 2.077 1.00 0.89 C ATOM 1563 O VAL A 109 3.856 -3.374 2.994 1.00 1.11 O ATOM 1564 CB VAL A 109 4.332 -1.774 0.366 1.00 1.09 C ATOM 1565 CG1 VAL A 109 3.071 -1.024 0.821 1.00 1.75 C ATOM 1566 CG2 VAL A 109 5.579 -1.096 0.967 1.00 2.07 C ATOM 0 H VAL A 109 2.227 -3.375 0.319 1.00 0.98 H new ATOM 0 HA VAL A 109 5.122 -3.690 0.014 1.00 0.94 H new ATOM 0 HB VAL A 109 4.368 -1.701 -0.721 1.00 1.09 H new ATOM 0 HG11 VAL A 109 3.179 0.038 0.598 1.00 1.75 H new ATOM 0 HG12 VAL A 109 2.203 -1.419 0.294 1.00 1.75 H new ATOM 0 HG13 VAL A 109 2.935 -1.158 1.894 1.00 1.75 H new ATOM 0 HG21 VAL A 109 5.549 -0.027 0.757 1.00 2.07 H new ATOM 0 HG22 VAL A 109 5.595 -1.254 2.045 1.00 2.07 H new ATOM 0 HG23 VAL A 109 6.477 -1.527 0.524 1.00 2.07 H new ATOM 1576 N MET A 110 5.726 -4.398 2.290 1.00 0.89 N ATOM 1577 CA MET A 110 6.196 -4.813 3.618 1.00 0.87 C ATOM 1578 C MET A 110 7.198 -3.818 4.211 1.00 0.84 C ATOM 1579 O MET A 110 8.006 -3.221 3.503 1.00 0.84 O ATOM 1580 CB MET A 110 6.747 -6.247 3.597 1.00 0.97 C ATOM 1581 CG MET A 110 5.603 -7.254 3.440 1.00 1.90 C ATOM 1582 SD MET A 110 6.028 -8.953 3.910 1.00 1.94 S ATOM 1583 CE MET A 110 4.379 -9.509 4.420 1.00 3.89 C ATOM 0 H MET A 110 6.336 -4.706 1.533 1.00 0.89 H new ATOM 0 HA MET A 110 5.331 -4.812 4.281 1.00 0.87 H new ATOM 0 HB2 MET A 110 7.455 -6.360 2.776 1.00 0.97 H new ATOM 0 HB3 MET A 110 7.293 -6.448 4.519 1.00 0.97 H new ATOM 0 HG2 MET A 110 4.759 -6.923 4.045 1.00 1.90 H new ATOM 0 HG3 MET A 110 5.272 -7.250 2.402 1.00 1.90 H new ATOM 0 HE1 MET A 110 4.431 -10.547 4.749 1.00 3.89 H new ATOM 0 HE2 MET A 110 4.022 -8.886 5.240 1.00 3.89 H new ATOM 0 HE3 MET A 110 3.691 -9.429 3.578 1.00 3.89 H new ATOM 1593 N LEU A 111 7.094 -3.598 5.521 1.00 0.93 N ATOM 1594 CA LEU A 111 7.840 -2.593 6.267 1.00 0.97 C ATOM 1595 C LEU A 111 8.759 -3.314 7.254 1.00 1.05 C ATOM 1596 O LEU A 111 8.371 -3.547 8.400 1.00 1.14 O ATOM 1597 CB LEU A 111 6.851 -1.651 6.984 1.00 0.97 C ATOM 1598 CG LEU A 111 6.191 -0.550 6.124 1.00 1.14 C ATOM 1599 CD1 LEU A 111 5.137 -1.078 5.138 1.00 2.33 C ATOM 1600 CD2 LEU A 111 5.506 0.448 7.070 1.00 1.88 C ATOM 0 H LEU A 111 6.462 -4.138 6.112 1.00 0.93 H new ATOM 0 HA LEU A 111 8.452 -1.982 5.604 1.00 0.97 H new ATOM 0 HB2 LEU A 111 6.060 -2.259 7.423 1.00 0.97 H new ATOM 0 HB3 LEU A 111 7.377 -1.169 7.808 1.00 0.97 H new ATOM 0 HG LEU A 111 6.982 -0.094 5.528 1.00 1.14 H new ATOM 0 HD11 LEU A 111 4.720 -0.246 4.571 1.00 2.33 H new ATOM 0 HD12 LEU A 111 5.602 -1.786 4.453 1.00 2.33 H new ATOM 0 HD13 LEU A 111 4.340 -1.577 5.690 1.00 2.33 H new ATOM 0 HD21 LEU A 111 5.032 1.237 6.486 1.00 1.88 H new ATOM 0 HD22 LEU A 111 4.751 -0.070 7.661 1.00 1.88 H new ATOM 0 HD23 LEU A 111 6.249 0.887 7.736 1.00 1.88 H new ATOM 1612 N MET A 112 9.956 -3.689 6.796 1.00 1.12 N ATOM 1613 CA MET A 112 10.947 -4.433 7.597 1.00 1.24 C ATOM 1614 C MET A 112 11.831 -3.455 8.397 1.00 1.30 C ATOM 1615 O MET A 112 12.240 -2.406 7.886 1.00 1.31 O ATOM 1616 CB MET A 112 11.772 -5.308 6.632 1.00 1.37 C ATOM 1617 CG MET A 112 12.610 -6.397 7.302 1.00 1.65 C ATOM 1618 SD MET A 112 14.212 -5.886 7.977 1.00 2.94 S ATOM 1619 CE MET A 112 14.534 -7.404 8.917 1.00 3.43 C ATOM 0 H MET A 112 10.273 -3.485 5.848 1.00 1.12 H new ATOM 0 HA MET A 112 10.456 -5.075 8.328 1.00 1.24 H new ATOM 0 HB2 MET A 112 11.092 -5.779 5.922 1.00 1.37 H new ATOM 0 HB3 MET A 112 12.436 -4.662 6.057 1.00 1.37 H new ATOM 0 HG2 MET A 112 12.022 -6.830 8.111 1.00 1.65 H new ATOM 0 HG3 MET A 112 12.784 -7.190 6.574 1.00 1.65 H new ATOM 0 HE1 MET A 112 15.492 -7.318 9.430 1.00 3.43 H new ATOM 0 HE2 MET A 112 13.742 -7.553 9.651 1.00 3.43 H new ATOM 0 HE3 MET A 112 14.562 -8.255 8.236 1.00 3.43 H new ATOM 1629 N GLY A 113 12.097 -3.767 9.665 1.00 1.37 N ATOM 1630 CA GLY A 113 12.839 -2.898 10.586 1.00 1.48 C ATOM 1631 C GLY A 113 12.128 -1.549 10.812 1.00 1.32 C ATOM 1632 O GLY A 113 12.727 -0.491 10.593 1.00 1.51 O ATOM 0 H GLY A 113 11.799 -4.645 10.091 1.00 1.37 H new ATOM 0 HA2 GLY A 113 12.963 -3.406 11.542 1.00 1.48 H new ATOM 0 HA3 GLY A 113 13.838 -2.718 10.188 1.00 1.48 H new ATOM 1636 N LEU A 114 10.854 -1.591 11.224 1.00 1.25 N ATOM 1637 CA LEU A 114 10.114 -0.477 11.780 1.00 1.26 C ATOM 1638 C LEU A 114 10.765 0.079 13.074 1.00 1.48 C ATOM 1639 O LEU A 114 11.877 -0.277 13.461 1.00 2.26 O ATOM 1640 CB LEU A 114 8.649 -0.963 11.979 1.00 1.60 C ATOM 1641 CG LEU A 114 7.643 0.189 11.747 1.00 1.99 C ATOM 1642 CD1 LEU A 114 7.378 0.465 10.261 1.00 2.63 C ATOM 1643 CD2 LEU A 114 6.311 -0.132 12.435 1.00 2.93 C ATOM 0 H LEU A 114 10.297 -2.444 11.172 1.00 1.25 H new ATOM 0 HA LEU A 114 10.127 0.374 11.099 1.00 1.26 H new ATOM 0 HB2 LEU A 114 8.437 -1.780 11.289 1.00 1.60 H new ATOM 0 HB3 LEU A 114 8.528 -1.358 12.988 1.00 1.60 H new ATOM 0 HG LEU A 114 8.095 1.084 12.174 1.00 1.99 H new ATOM 0 HD11 LEU A 114 6.664 1.283 10.165 1.00 2.63 H new ATOM 0 HD12 LEU A 114 8.312 0.738 9.769 1.00 2.63 H new ATOM 0 HD13 LEU A 114 6.969 -0.430 9.792 1.00 2.63 H new ATOM 0 HD21 LEU A 114 5.609 0.684 12.267 1.00 2.93 H new ATOM 0 HD22 LEU A 114 5.901 -1.054 12.023 1.00 2.93 H new ATOM 0 HD23 LEU A 114 6.475 -0.255 13.506 1.00 2.93 H new ATOM 1655 N LYS A 115 10.066 0.972 13.774 1.00 1.45 N ATOM 1656 CA LYS A 115 10.606 1.700 14.934 1.00 1.80 C ATOM 1657 C LYS A 115 9.499 2.026 15.945 1.00 1.99 C ATOM 1658 O LYS A 115 9.470 1.435 17.027 1.00 2.82 O ATOM 1659 CB LYS A 115 11.476 2.896 14.460 1.00 1.96 C ATOM 1660 CG LYS A 115 10.753 3.947 13.581 1.00 2.38 C ATOM 1661 CD LYS A 115 11.723 4.936 12.930 1.00 2.67 C ATOM 1662 CE LYS A 115 12.416 4.294 11.730 1.00 2.57 C ATOM 1663 NZ LYS A 115 13.423 5.215 11.140 1.00 3.29 N ATOM 0 H LYS A 115 9.100 1.216 13.554 1.00 1.45 H new ATOM 0 HA LYS A 115 11.291 1.067 15.497 1.00 1.80 H new ATOM 0 HB2 LYS A 115 11.878 3.400 15.339 1.00 1.96 H new ATOM 0 HB3 LYS A 115 12.325 2.504 13.901 1.00 1.96 H new ATOM 0 HG2 LYS A 115 10.184 3.436 12.804 1.00 2.38 H new ATOM 0 HG3 LYS A 115 10.036 4.495 14.192 1.00 2.38 H new ATOM 0 HD2 LYS A 115 11.183 5.828 12.611 1.00 2.67 H new ATOM 0 HD3 LYS A 115 12.468 5.257 13.658 1.00 2.67 H new ATOM 0 HE2 LYS A 115 12.902 3.368 12.039 1.00 2.57 H new ATOM 0 HE3 LYS A 115 11.675 4.029 10.976 1.00 2.57 H new ATOM 0 HZ1 LYS A 115 13.880 4.755 10.327 1.00 3.29 H new ATOM 0 HZ2 LYS A 115 12.953 6.088 10.826 1.00 3.29 H new ATOM 0 HZ3 LYS A 115 14.142 5.447 11.855 1.00 3.29 H new ATOM 1677 N ARG A 116 8.519 2.861 15.552 1.00 1.54 N ATOM 1678 CA ARG A 116 7.308 3.137 16.332 1.00 1.77 C ATOM 1679 C ARG A 116 6.310 1.984 16.129 1.00 1.44 C ATOM 1680 O ARG A 116 5.938 1.756 14.976 1.00 1.28 O ATOM 1681 CB ARG A 116 6.689 4.492 15.913 1.00 2.20 C ATOM 1682 CG ARG A 116 5.419 4.830 16.723 1.00 3.56 C ATOM 1683 CD ARG A 116 4.826 6.198 16.356 1.00 3.92 C ATOM 1684 NE ARG A 116 3.575 6.471 17.087 1.00 5.23 N ATOM 1685 CZ ARG A 116 3.420 6.951 18.315 1.00 5.69 C ATOM 1686 NH1 ARG A 116 4.430 7.262 19.105 1.00 5.28 N ATOM 1687 NH2 ARG A 116 2.194 7.122 18.738 1.00 7.22 N ATOM 0 H ARG A 116 8.551 3.369 14.668 1.00 1.54 H new ATOM 0 HA ARG A 116 7.561 3.207 17.390 1.00 1.77 H new ATOM 0 HB2 ARG A 116 7.426 5.283 16.049 1.00 2.20 H new ATOM 0 HB3 ARG A 116 6.444 4.464 14.851 1.00 2.20 H new ATOM 0 HG2 ARG A 116 4.669 4.057 16.554 1.00 3.56 H new ATOM 0 HG3 ARG A 116 5.657 4.816 17.787 1.00 3.56 H new ATOM 0 HD2 ARG A 116 5.553 6.979 16.577 1.00 3.92 H new ATOM 0 HD3 ARG A 116 4.635 6.234 15.284 1.00 3.92 H new ATOM 0 HE ARG A 116 2.714 6.263 16.582 1.00 5.23 H new ATOM 0 HH11 ARG A 116 5.389 7.137 18.780 1.00 5.28 H new ATOM 0 HH12 ARG A 116 4.252 7.628 20.040 1.00 5.28 H new ATOM 0 HH21 ARG A 116 1.408 6.889 18.131 1.00 7.22 H new ATOM 0 HH22 ARG A 116 2.024 7.488 19.675 1.00 7.22 H new ATOM 1701 N PRO A 117 5.887 1.265 17.189 1.00 1.66 N ATOM 1702 CA PRO A 117 4.692 0.439 17.139 1.00 1.68 C ATOM 1703 C PRO A 117 3.467 1.358 17.110 1.00 1.45 C ATOM 1704 O PRO A 117 3.371 2.279 17.918 1.00 1.82 O ATOM 1705 CB PRO A 117 4.744 -0.452 18.384 1.00 2.27 C ATOM 1706 CG PRO A 117 5.487 0.417 19.400 1.00 2.53 C ATOM 1707 CD PRO A 117 6.423 1.281 18.547 1.00 2.18 C ATOM 0 HA PRO A 117 4.632 -0.190 16.251 1.00 1.68 H new ATOM 0 HB2 PRO A 117 3.746 -0.716 18.733 1.00 2.27 H new ATOM 0 HB3 PRO A 117 5.271 -1.386 18.190 1.00 2.27 H new ATOM 0 HG2 PRO A 117 4.797 1.031 19.979 1.00 2.53 H new ATOM 0 HG3 PRO A 117 6.045 -0.192 20.111 1.00 2.53 H new ATOM 0 HD2 PRO A 117 6.469 2.299 18.933 1.00 2.18 H new ATOM 0 HD3 PRO A 117 7.439 0.887 18.567 1.00 2.18 H new ATOM 1715 N LEU A 118 2.552 1.124 16.164 1.00 1.19 N ATOM 1716 CA LEU A 118 1.317 1.911 16.014 1.00 1.09 C ATOM 1717 C LEU A 118 0.084 1.130 16.478 1.00 1.18 C ATOM 1718 O LEU A 118 0.128 -0.088 16.631 1.00 1.36 O ATOM 1719 CB LEU A 118 1.157 2.389 14.555 1.00 1.22 C ATOM 1720 CG LEU A 118 2.349 3.209 14.011 1.00 1.42 C ATOM 1721 CD1 LEU A 118 3.267 2.348 13.129 1.00 2.04 C ATOM 1722 CD2 LEU A 118 1.860 4.407 13.187 1.00 2.17 C ATOM 0 H LEU A 118 2.645 0.378 15.474 1.00 1.19 H new ATOM 0 HA LEU A 118 1.400 2.787 16.658 1.00 1.09 H new ATOM 0 HB2 LEU A 118 1.010 1.519 13.916 1.00 1.22 H new ATOM 0 HB3 LEU A 118 0.253 2.994 14.482 1.00 1.22 H new ATOM 0 HG LEU A 118 2.910 3.562 14.876 1.00 1.42 H new ATOM 0 HD11 LEU A 118 4.095 2.956 12.763 1.00 2.04 H new ATOM 0 HD12 LEU A 118 3.659 1.516 13.715 1.00 2.04 H new ATOM 0 HD13 LEU A 118 2.700 1.961 12.283 1.00 2.04 H new ATOM 0 HD21 LEU A 118 2.718 4.968 12.816 1.00 2.17 H new ATOM 0 HD22 LEU A 118 1.267 4.051 12.345 1.00 2.17 H new ATOM 0 HD23 LEU A 118 1.247 5.054 13.814 1.00 2.17 H new ATOM 1734 N LYS A 119 -1.026 1.843 16.683 1.00 1.25 N ATOM 1735 CA LYS A 119 -2.298 1.349 17.240 1.00 1.33 C ATOM 1736 C LYS A 119 -3.498 1.619 16.297 1.00 1.35 C ATOM 1737 O LYS A 119 -3.521 2.595 15.552 1.00 1.46 O ATOM 1738 CB LYS A 119 -2.493 2.057 18.603 1.00 1.48 C ATOM 1739 CG LYS A 119 -3.258 1.242 19.653 1.00 1.93 C ATOM 1740 CD LYS A 119 -2.386 0.141 20.282 1.00 3.01 C ATOM 1741 CE LYS A 119 -3.215 -0.701 21.263 1.00 4.36 C ATOM 1742 NZ LYS A 119 -2.414 -1.799 21.853 1.00 5.55 N ATOM 0 H LYS A 119 -1.069 2.836 16.454 1.00 1.25 H new ATOM 0 HA LYS A 119 -2.256 0.266 17.359 1.00 1.33 H new ATOM 0 HB2 LYS A 119 -1.513 2.312 19.006 1.00 1.48 H new ATOM 0 HB3 LYS A 119 -3.023 2.995 18.436 1.00 1.48 H new ATOM 0 HG2 LYS A 119 -3.619 1.909 20.436 1.00 1.93 H new ATOM 0 HG3 LYS A 119 -4.135 0.789 19.191 1.00 1.93 H new ATOM 0 HD2 LYS A 119 -1.976 -0.498 19.500 1.00 3.01 H new ATOM 0 HD3 LYS A 119 -1.540 0.591 20.803 1.00 3.01 H new ATOM 0 HE2 LYS A 119 -3.598 -0.062 22.058 1.00 4.36 H new ATOM 0 HE3 LYS A 119 -4.079 -1.118 20.745 1.00 4.36 H new ATOM 0 HZ1 LYS A 119 -3.006 -2.346 22.510 1.00 5.55 H new ATOM 0 HZ2 LYS A 119 -2.069 -2.423 21.096 1.00 5.55 H new ATOM 0 HZ3 LYS A 119 -1.604 -1.400 22.368 1.00 5.55 H new ATOM 1756 N VAL A 120 -4.534 0.771 16.343 1.00 1.52 N ATOM 1757 CA VAL A 120 -5.698 0.649 15.417 1.00 1.70 C ATOM 1758 C VAL A 120 -6.125 1.882 14.605 1.00 1.85 C ATOM 1759 O VAL A 120 -6.268 1.787 13.398 1.00 2.39 O ATOM 1760 CB VAL A 120 -6.934 0.031 16.132 1.00 2.15 C ATOM 1761 CG1 VAL A 120 -7.407 0.811 17.373 1.00 2.81 C ATOM 1762 CG2 VAL A 120 -8.130 -0.195 15.188 1.00 3.21 C ATOM 0 H VAL A 120 -4.597 0.084 17.094 1.00 1.52 H new ATOM 0 HA VAL A 120 -5.296 -0.021 14.657 1.00 1.70 H new ATOM 0 HB VAL A 120 -6.564 -0.936 16.473 1.00 2.15 H new ATOM 0 HG11 VAL A 120 -8.272 0.311 17.809 1.00 2.81 H new ATOM 0 HG12 VAL A 120 -6.602 0.850 18.107 1.00 2.81 H new ATOM 0 HG13 VAL A 120 -7.682 1.825 17.082 1.00 2.81 H new ATOM 0 HG21 VAL A 120 -8.959 -0.628 15.748 1.00 3.21 H new ATOM 0 HG22 VAL A 120 -8.440 0.758 14.759 1.00 3.21 H new ATOM 0 HG23 VAL A 120 -7.838 -0.875 14.388 1.00 3.21 H new ATOM 1772 N GLY A 121 -6.372 3.028 15.230 1.00 1.83 N ATOM 1773 CA GLY A 121 -6.999 4.213 14.622 1.00 2.09 C ATOM 1774 C GLY A 121 -6.008 5.298 14.247 1.00 2.05 C ATOM 1775 O GLY A 121 -6.421 6.375 13.830 1.00 2.48 O ATOM 0 H GLY A 121 -6.135 3.170 16.212 1.00 1.83 H new ATOM 0 HA2 GLY A 121 -7.545 3.907 13.730 1.00 2.09 H new ATOM 0 HA3 GLY A 121 -7.730 4.625 15.318 1.00 2.09 H new ATOM 1779 N GLU A 122 -4.720 5.044 14.452 1.00 1.66 N ATOM 1780 CA GLU A 122 -3.641 6.031 14.323 1.00 1.53 C ATOM 1781 C GLU A 122 -3.444 6.420 12.850 1.00 1.54 C ATOM 1782 O GLU A 122 -3.635 5.614 11.927 1.00 1.62 O ATOM 1783 CB GLU A 122 -2.377 5.432 14.973 1.00 1.48 C ATOM 1784 CG GLU A 122 -1.208 6.403 15.192 1.00 1.47 C ATOM 1785 CD GLU A 122 -0.135 5.832 16.134 1.00 1.67 C ATOM 1786 OE1 GLU A 122 -0.290 4.702 16.627 1.00 2.52 O ATOM 1787 OE2 GLU A 122 0.851 6.569 16.397 1.00 2.08 O ATOM 0 H GLU A 122 -4.383 4.120 14.721 1.00 1.66 H new ATOM 0 HA GLU A 122 -3.886 6.959 14.840 1.00 1.53 H new ATOM 0 HB2 GLU A 122 -2.655 5.006 15.937 1.00 1.48 H new ATOM 0 HB3 GLU A 122 -2.028 4.609 14.350 1.00 1.48 H new ATOM 0 HG2 GLU A 122 -0.753 6.641 14.231 1.00 1.47 H new ATOM 0 HG3 GLU A 122 -1.589 7.337 15.605 1.00 1.47 H new ATOM 1794 N THR A 123 -3.116 7.695 12.645 1.00 1.61 N ATOM 1795 CA THR A 123 -2.867 8.321 11.341 1.00 1.79 C ATOM 1796 C THR A 123 -1.352 8.364 11.163 1.00 1.50 C ATOM 1797 O THR A 123 -0.639 8.650 12.120 1.00 1.58 O ATOM 1798 CB THR A 123 -3.492 9.722 11.296 1.00 2.24 C ATOM 1799 OG1 THR A 123 -4.887 9.611 11.482 1.00 3.16 O ATOM 1800 CG2 THR A 123 -3.277 10.414 9.950 1.00 3.16 C ATOM 0 H THR A 123 -3.011 8.353 13.418 1.00 1.61 H new ATOM 0 HA THR A 123 -3.323 7.757 10.527 1.00 1.79 H new ATOM 0 HB THR A 123 -3.013 10.309 12.080 1.00 2.24 H new ATOM 0 HG1 THR A 123 -5.292 10.503 11.456 1.00 3.16 H new ATOM 0 HG21 THR A 123 -3.738 11.401 9.971 1.00 3.16 H new ATOM 0 HG22 THR A 123 -2.209 10.517 9.760 1.00 3.16 H new ATOM 0 HG23 THR A 123 -3.731 9.818 9.158 1.00 3.16 H new ATOM 1808 N VAL A 124 -0.865 8.057 9.966 1.00 1.24 N ATOM 1809 CA VAL A 124 0.537 7.673 9.727 1.00 0.96 C ATOM 1810 C VAL A 124 1.003 8.082 8.325 1.00 0.92 C ATOM 1811 O VAL A 124 0.190 8.264 7.425 1.00 1.07 O ATOM 1812 CB VAL A 124 0.741 6.170 10.042 1.00 1.07 C ATOM 1813 CG1 VAL A 124 -0.185 5.242 9.239 1.00 2.13 C ATOM 1814 CG2 VAL A 124 2.198 5.709 9.877 1.00 2.12 C ATOM 0 H VAL A 124 -1.433 8.065 9.119 1.00 1.24 H new ATOM 0 HA VAL A 124 1.181 8.225 10.412 1.00 0.96 H new ATOM 0 HB VAL A 124 0.471 6.086 11.095 1.00 1.07 H new ATOM 0 HG11 VAL A 124 0.014 4.205 9.511 1.00 2.13 H new ATOM 0 HG12 VAL A 124 -1.224 5.483 9.462 1.00 2.13 H new ATOM 0 HG13 VAL A 124 -0.002 5.379 8.173 1.00 2.13 H new ATOM 0 HG21 VAL A 124 2.273 4.647 10.113 1.00 2.12 H new ATOM 0 HG22 VAL A 124 2.518 5.876 8.849 1.00 2.12 H new ATOM 0 HG23 VAL A 124 2.838 6.276 10.553 1.00 2.12 H new ATOM 1824 N ASN A 125 2.306 8.321 8.155 1.00 0.96 N ATOM 1825 CA ASN A 125 2.863 8.965 6.960 1.00 1.10 C ATOM 1826 C ASN A 125 3.169 7.922 5.872 1.00 1.07 C ATOM 1827 O ASN A 125 3.952 6.993 6.086 1.00 1.15 O ATOM 1828 CB ASN A 125 4.131 9.759 7.329 1.00 1.37 C ATOM 1829 CG ASN A 125 3.896 11.032 8.143 1.00 1.62 C ATOM 1830 OD1 ASN A 125 4.604 12.018 7.992 1.00 2.60 O ATOM 1831 ND2 ASN A 125 2.965 11.057 9.076 1.00 1.56 N ATOM 0 H ASN A 125 3.011 8.071 8.848 1.00 0.96 H new ATOM 0 HA ASN A 125 2.123 9.659 6.561 1.00 1.10 H new ATOM 0 HB2 ASN A 125 4.797 9.106 7.893 1.00 1.37 H new ATOM 0 HB3 ASN A 125 4.651 10.027 6.409 1.00 1.37 H new ATOM 0 HD21 ASN A 125 2.846 11.888 9.655 1.00 1.56 H new ATOM 0 HD22 ASN A 125 2.364 10.245 9.218 1.00 1.56 H new ATOM 1838 N ILE A 126 2.579 8.091 4.686 1.00 1.10 N ATOM 1839 CA ILE A 126 2.834 7.279 3.482 1.00 1.12 C ATOM 1840 C ILE A 126 3.183 8.215 2.324 1.00 1.14 C ATOM 1841 O ILE A 126 2.747 9.371 2.303 1.00 1.15 O ATOM 1842 CB ILE A 126 1.620 6.353 3.190 1.00 1.16 C ATOM 1843 CG1 ILE A 126 1.982 5.018 2.491 1.00 1.88 C ATOM 1844 CG2 ILE A 126 0.454 7.088 2.497 1.00 1.13 C ATOM 1845 CD1 ILE A 126 1.928 4.976 0.957 1.00 2.76 C ATOM 0 H ILE A 126 1.885 8.822 4.527 1.00 1.10 H new ATOM 0 HA ILE A 126 3.685 6.614 3.633 1.00 1.12 H new ATOM 0 HB ILE A 126 1.262 6.061 4.177 1.00 1.16 H new ATOM 0 HG12 ILE A 126 2.991 4.742 2.798 1.00 1.88 H new ATOM 0 HG13 ILE A 126 1.311 4.248 2.871 1.00 1.88 H new ATOM 0 HG21 ILE A 126 -0.363 6.389 2.320 1.00 1.13 H new ATOM 0 HG22 ILE A 126 0.105 7.900 3.135 1.00 1.13 H new ATOM 0 HG23 ILE A 126 0.795 7.496 1.546 1.00 1.13 H new ATOM 0 HD11 ILE A 126 2.205 3.981 0.610 1.00 2.76 H new ATOM 0 HD12 ILE A 126 0.917 5.208 0.622 1.00 2.76 H new ATOM 0 HD13 ILE A 126 2.623 5.709 0.548 1.00 2.76 H new ATOM 1857 N THR A 127 3.988 7.737 1.376 1.00 1.16 N ATOM 1858 CA THR A 127 4.360 8.473 0.165 1.00 1.15 C ATOM 1859 C THR A 127 3.605 7.880 -1.022 1.00 0.90 C ATOM 1860 O THR A 127 3.957 6.793 -1.481 1.00 1.17 O ATOM 1861 CB THR A 127 5.877 8.430 -0.045 1.00 1.43 C ATOM 1862 OG1 THR A 127 6.542 8.798 1.146 1.00 1.73 O ATOM 1863 CG2 THR A 127 6.295 9.418 -1.132 1.00 1.91 C ATOM 0 H THR A 127 4.409 6.809 1.428 1.00 1.16 H new ATOM 0 HA THR A 127 4.084 9.523 0.266 1.00 1.15 H new ATOM 0 HB THR A 127 6.144 7.414 -0.336 1.00 1.43 H new ATOM 0 HG1 THR A 127 7.511 8.766 1.003 1.00 1.73 H new ATOM 0 HG21 THR A 127 7.376 9.374 -1.268 1.00 1.91 H new ATOM 0 HG22 THR A 127 5.801 9.159 -2.068 1.00 1.91 H new ATOM 0 HG23 THR A 127 6.007 10.427 -0.837 1.00 1.91 H new ATOM 1871 N LEU A 128 2.567 8.567 -1.514 1.00 0.65 N ATOM 1872 CA LEU A 128 1.625 8.094 -2.497 1.00 0.80 C ATOM 1873 C LEU A 128 1.824 8.910 -3.792 1.00 1.08 C ATOM 1874 O LEU A 128 0.892 9.489 -4.349 1.00 2.28 O ATOM 1875 CB LEU A 128 0.264 8.278 -1.789 1.00 1.31 C ATOM 1876 CG LEU A 128 -0.903 7.634 -2.527 1.00 1.40 C ATOM 1877 CD1 LEU A 128 -0.954 6.108 -2.359 1.00 2.76 C ATOM 1878 CD2 LEU A 128 -2.241 8.224 -2.057 1.00 2.14 C ATOM 0 H LEU A 128 2.364 9.519 -1.210 1.00 0.65 H new ATOM 0 HA LEU A 128 1.729 7.057 -2.817 1.00 0.80 H new ATOM 0 HB2 LEU A 128 0.326 7.855 -0.786 1.00 1.31 H new ATOM 0 HB3 LEU A 128 0.066 9.344 -1.674 1.00 1.31 H new ATOM 0 HG LEU A 128 -0.741 7.853 -3.582 1.00 1.40 H new ATOM 0 HD11 LEU A 128 -1.807 5.710 -2.908 1.00 2.76 H new ATOM 0 HD12 LEU A 128 -0.035 5.668 -2.747 1.00 2.76 H new ATOM 0 HD13 LEU A 128 -1.056 5.862 -1.302 1.00 2.76 H new ATOM 0 HD21 LEU A 128 -3.059 7.748 -2.598 1.00 2.14 H new ATOM 0 HD22 LEU A 128 -2.362 8.046 -0.988 1.00 2.14 H new ATOM 0 HD23 LEU A 128 -2.254 9.297 -2.250 1.00 2.14 H new ATOM 1890 N LYS A 129 3.074 9.076 -4.252 1.00 1.08 N ATOM 1891 CA LYS A 129 3.380 10.045 -5.309 1.00 1.29 C ATOM 1892 C LYS A 129 2.810 9.589 -6.662 1.00 1.18 C ATOM 1893 O LYS A 129 3.239 8.596 -7.247 1.00 1.37 O ATOM 1894 CB LYS A 129 4.889 10.355 -5.418 1.00 1.77 C ATOM 1895 CG LYS A 129 5.082 11.735 -6.084 1.00 2.50 C ATOM 1896 CD LYS A 129 6.419 11.954 -6.809 1.00 2.96 C ATOM 1897 CE LYS A 129 6.493 11.178 -8.135 1.00 3.45 C ATOM 1898 NZ LYS A 129 7.447 11.811 -9.077 1.00 4.35 N ATOM 0 H LYS A 129 3.881 8.555 -3.910 1.00 1.08 H new ATOM 0 HA LYS A 129 2.890 10.977 -5.026 1.00 1.29 H new ATOM 0 HB2 LYS A 129 5.345 10.350 -4.428 1.00 1.77 H new ATOM 0 HB3 LYS A 129 5.389 9.583 -6.003 1.00 1.77 H new ATOM 0 HG2 LYS A 129 4.274 11.886 -6.800 1.00 2.50 H new ATOM 0 HG3 LYS A 129 4.977 12.503 -5.318 1.00 2.50 H new ATOM 0 HD2 LYS A 129 6.555 13.018 -7.004 1.00 2.96 H new ATOM 0 HD3 LYS A 129 7.238 11.642 -6.161 1.00 2.96 H new ATOM 0 HE2 LYS A 129 6.799 10.150 -7.941 1.00 3.45 H new ATOM 0 HE3 LYS A 129 5.503 11.136 -8.590 1.00 3.45 H new ATOM 0 HZ1 LYS A 129 7.475 11.265 -9.962 1.00 4.35 H new ATOM 0 HZ2 LYS A 129 7.141 12.784 -9.280 1.00 4.35 H new ATOM 0 HZ3 LYS A 129 8.396 11.829 -8.651 1.00 4.35 H new ATOM 1912 N ALA A 130 1.863 10.362 -7.187 1.00 1.40 N ATOM 1913 CA ALA A 130 1.374 10.257 -8.563 1.00 1.44 C ATOM 1914 C ALA A 130 2.476 10.594 -9.590 1.00 1.66 C ATOM 1915 O ALA A 130 3.389 11.358 -9.272 1.00 1.98 O ATOM 1916 CB ALA A 130 0.185 11.218 -8.704 1.00 1.77 C ATOM 0 H ALA A 130 1.401 11.099 -6.655 1.00 1.40 H new ATOM 0 HA ALA A 130 1.068 9.231 -8.768 1.00 1.44 H new ATOM 0 HB1 ALA A 130 -0.206 11.166 -9.720 1.00 1.77 H new ATOM 0 HB2 ALA A 130 -0.597 10.935 -7.999 1.00 1.77 H new ATOM 0 HB3 ALA A 130 0.513 12.236 -8.493 1.00 1.77 H new ATOM 1922 N THR A 131 2.335 10.076 -10.819 1.00 1.73 N ATOM 1923 CA THR A 131 3.194 10.374 -11.976 1.00 2.22 C ATOM 1924 C THR A 131 3.261 11.879 -12.194 1.00 2.80 C ATOM 1925 O THR A 131 4.272 12.522 -11.917 1.00 3.70 O ATOM 1926 CB THR A 131 2.745 9.547 -13.208 1.00 2.41 C ATOM 1927 OG1 THR A 131 3.511 9.918 -14.322 1.00 3.20 O ATOM 1928 CG2 THR A 131 1.272 9.613 -13.623 1.00 3.01 C ATOM 0 H THR A 131 1.592 9.414 -11.043 1.00 1.73 H new ATOM 0 HA THR A 131 4.221 10.061 -11.788 1.00 2.22 H new ATOM 0 HB THR A 131 2.898 8.520 -12.877 1.00 2.41 H new ATOM 0 HG1 THR A 131 3.235 10.807 -14.628 1.00 3.20 H new ATOM 0 HG21 THR A 131 1.112 8.984 -14.499 1.00 3.01 H new ATOM 0 HG22 THR A 131 0.647 9.260 -12.803 1.00 3.01 H new ATOM 0 HG23 THR A 131 1.007 10.643 -13.863 1.00 3.01 H new ATOM 1936 N ASP A 132 2.129 12.440 -12.599 1.00 2.60 N ATOM 1937 CA ASP A 132 1.877 13.837 -12.948 1.00 3.23 C ATOM 1938 C ASP A 132 0.884 14.449 -11.932 1.00 3.55 C ATOM 1939 O ASP A 132 -0.202 14.903 -12.293 1.00 4.15 O ATOM 1940 CB ASP A 132 1.318 13.893 -14.392 1.00 3.36 C ATOM 1941 CG ASP A 132 2.273 13.380 -15.481 1.00 3.15 C ATOM 1942 OD1 ASP A 132 2.564 12.159 -15.526 1.00 3.36 O ATOM 1943 OD2 ASP A 132 2.659 14.197 -16.351 1.00 3.86 O ATOM 0 H ASP A 132 1.284 11.878 -12.702 1.00 2.60 H new ATOM 0 HA ASP A 132 2.798 14.418 -12.908 1.00 3.23 H new ATOM 0 HB2 ASP A 132 0.399 13.309 -14.432 1.00 3.36 H new ATOM 0 HB3 ASP A 132 1.050 14.924 -14.622 1.00 3.36 H new ATOM 1948 N GLY A 133 1.224 14.379 -10.631 1.00 3.45 N ATOM 1949 CA GLY A 133 0.341 14.894 -9.564 1.00 3.85 C ATOM 1950 C GLY A 133 0.957 15.214 -8.198 1.00 3.79 C ATOM 1951 O GLY A 133 0.242 15.684 -7.320 1.00 5.32 O ATOM 0 H GLY A 133 2.097 13.974 -10.294 1.00 3.45 H new ATOM 0 HA2 GLY A 133 -0.133 15.803 -9.935 1.00 3.85 H new ATOM 0 HA3 GLY A 133 -0.452 14.162 -9.407 1.00 3.85 H new ATOM 1955 N ARG A 134 2.263 14.980 -7.993 1.00 2.69 N ATOM 1956 CA ARG A 134 3.072 15.597 -6.914 1.00 3.03 C ATOM 1957 C ARG A 134 2.674 15.272 -5.456 1.00 3.09 C ATOM 1958 O ARG A 134 3.201 15.898 -4.543 1.00 4.04 O ATOM 1959 CB ARG A 134 3.183 17.128 -7.153 1.00 3.76 C ATOM 1960 CG ARG A 134 4.239 17.465 -8.216 1.00 4.69 C ATOM 1961 CD ARG A 134 5.669 17.362 -7.651 1.00 5.79 C ATOM 1962 NE ARG A 134 6.589 16.796 -8.645 1.00 6.98 N ATOM 1963 CZ ARG A 134 7.755 16.202 -8.411 1.00 8.33 C ATOM 1964 NH1 ARG A 134 8.346 16.175 -7.235 1.00 8.87 N ATOM 1965 NH2 ARG A 134 8.339 15.547 -9.385 1.00 9.65 N ATOM 0 H ARG A 134 2.803 14.345 -8.581 1.00 2.69 H new ATOM 0 HA ARG A 134 4.048 15.118 -6.996 1.00 3.03 H new ATOM 0 HB2 ARG A 134 2.215 17.518 -7.466 1.00 3.76 H new ATOM 0 HB3 ARG A 134 3.439 17.624 -6.217 1.00 3.76 H new ATOM 0 HG2 ARG A 134 4.132 16.787 -9.063 1.00 4.69 H new ATOM 0 HG3 ARG A 134 4.068 18.474 -8.592 1.00 4.69 H new ATOM 0 HD2 ARG A 134 6.017 18.350 -7.350 1.00 5.79 H new ATOM 0 HD3 ARG A 134 5.666 16.739 -6.757 1.00 5.79 H new ATOM 0 HE ARG A 134 6.302 16.866 -9.621 1.00 6.98 H new ATOM 0 HH11 ARG A 134 7.908 16.629 -6.433 1.00 8.87 H new ATOM 0 HH12 ARG A 134 9.242 15.700 -7.125 1.00 8.87 H new ATOM 0 HH21 ARG A 134 7.898 15.499 -10.304 1.00 9.65 H new ATOM 0 HH22 ARG A 134 9.234 15.085 -9.224 1.00 9.65 H new ATOM 1979 N THR A 135 1.783 14.305 -5.203 1.00 2.89 N ATOM 1980 CA THR A 135 1.221 13.957 -3.879 1.00 3.03 C ATOM 1981 C THR A 135 2.191 13.741 -2.737 1.00 2.11 C ATOM 1982 O THR A 135 1.824 14.077 -1.620 1.00 3.42 O ATOM 1983 CB THR A 135 0.304 12.728 -3.943 1.00 4.18 C ATOM 1984 OG1 THR A 135 0.468 12.013 -5.150 1.00 4.95 O ATOM 1985 CG2 THR A 135 -1.166 13.121 -3.826 1.00 5.22 C ATOM 0 H THR A 135 1.413 13.713 -5.946 1.00 2.89 H new ATOM 0 HA THR A 135 0.675 14.871 -3.644 1.00 3.03 H new ATOM 0 HB THR A 135 0.589 12.097 -3.101 1.00 4.18 H new ATOM 0 HG1 THR A 135 0.424 11.051 -4.969 1.00 4.95 H new ATOM 0 HG21 THR A 135 -1.787 12.226 -3.875 1.00 5.22 H new ATOM 0 HG22 THR A 135 -1.333 13.627 -2.875 1.00 5.22 H new ATOM 0 HG23 THR A 135 -1.430 13.791 -4.644 1.00 5.22 H new ATOM 1993 N LEU A 136 3.365 13.168 -3.011 1.00 1.47 N ATOM 1994 CA LEU A 136 4.247 12.515 -2.031 1.00 1.99 C ATOM 1995 C LEU A 136 3.580 12.226 -0.667 1.00 1.56 C ATOM 1996 O LEU A 136 2.832 11.256 -0.573 1.00 1.19 O ATOM 1997 CB LEU A 136 5.671 13.130 -1.973 1.00 3.64 C ATOM 1998 CG LEU A 136 5.934 14.640 -2.189 1.00 4.60 C ATOM 1999 CD1 LEU A 136 6.130 14.963 -3.679 1.00 5.00 C ATOM 2000 CD2 LEU A 136 4.965 15.620 -1.510 1.00 5.13 C ATOM 0 H LEU A 136 3.745 13.143 -3.957 1.00 1.47 H new ATOM 0 HA LEU A 136 4.421 11.512 -2.421 1.00 1.99 H new ATOM 0 HB2 LEU A 136 6.079 12.879 -0.994 1.00 3.64 H new ATOM 0 HB3 LEU A 136 6.270 12.600 -2.714 1.00 3.64 H new ATOM 0 HG LEU A 136 6.866 14.817 -1.652 1.00 4.60 H new ATOM 0 HD11 LEU A 136 6.313 16.031 -3.799 1.00 5.00 H new ATOM 0 HD12 LEU A 136 6.983 14.403 -4.063 1.00 5.00 H new ATOM 0 HD13 LEU A 136 5.234 14.684 -4.233 1.00 5.00 H new ATOM 0 HD21 LEU A 136 5.261 16.643 -1.741 1.00 5.13 H new ATOM 0 HD22 LEU A 136 3.953 15.444 -1.876 1.00 5.13 H new ATOM 0 HD23 LEU A 136 4.992 15.469 -0.431 1.00 5.13 H new ATOM 2012 N ASN A 137 3.868 13.014 0.371 1.00 1.84 N ATOM 2013 CA ASN A 137 3.449 12.817 1.755 1.00 1.70 C ATOM 2014 C ASN A 137 1.921 12.920 1.943 1.00 1.65 C ATOM 2015 O ASN A 137 1.341 14.005 1.925 1.00 2.03 O ATOM 2016 CB ASN A 137 4.195 13.828 2.639 1.00 1.99 C ATOM 2017 CG ASN A 137 3.830 13.661 4.112 1.00 2.84 C ATOM 2018 OD1 ASN A 137 3.710 12.548 4.616 1.00 3.97 O ATOM 2019 ND2 ASN A 137 3.656 14.753 4.835 1.00 3.04 N ATOM 0 H ASN A 137 4.433 13.855 0.258 1.00 1.84 H new ATOM 0 HA ASN A 137 3.706 11.800 2.052 1.00 1.70 H new ATOM 0 HB2 ASN A 137 5.270 13.699 2.513 1.00 1.99 H new ATOM 0 HB3 ASN A 137 3.955 14.841 2.316 1.00 1.99 H new ATOM 0 HD21 ASN A 137 3.419 14.677 5.824 1.00 3.04 H new ATOM 0 HD22 ASN A 137 3.759 15.672 4.404 1.00 3.04 H new ATOM 2026 N VAL A 138 1.320 11.760 2.192 1.00 1.38 N ATOM 2027 CA VAL A 138 -0.120 11.534 2.402 1.00 1.43 C ATOM 2028 C VAL A 138 -0.384 10.856 3.761 1.00 1.19 C ATOM 2029 O VAL A 138 0.454 10.120 4.284 1.00 1.20 O ATOM 2030 CB VAL A 138 -0.716 10.741 1.205 1.00 1.70 C ATOM 2031 CG1 VAL A 138 -2.152 10.241 1.442 1.00 1.81 C ATOM 2032 CG2 VAL A 138 -0.738 11.634 -0.052 1.00 2.13 C ATOM 0 H VAL A 138 1.853 10.893 2.258 1.00 1.38 H new ATOM 0 HA VAL A 138 -0.631 12.496 2.439 1.00 1.43 H new ATOM 0 HB VAL A 138 -0.073 9.870 1.081 1.00 1.70 H new ATOM 0 HG11 VAL A 138 -2.498 9.697 0.563 1.00 1.81 H new ATOM 0 HG12 VAL A 138 -2.168 9.579 2.308 1.00 1.81 H new ATOM 0 HG13 VAL A 138 -2.808 11.092 1.624 1.00 1.81 H new ATOM 0 HG21 VAL A 138 -1.156 11.074 -0.889 1.00 2.13 H new ATOM 0 HG22 VAL A 138 -1.351 12.515 0.138 1.00 2.13 H new ATOM 0 HG23 VAL A 138 0.278 11.945 -0.295 1.00 2.13 H new ATOM 2042 N ALA A 139 -1.566 11.105 4.335 1.00 1.27 N ATOM 2043 CA ALA A 139 -2.020 10.547 5.606 1.00 1.23 C ATOM 2044 C ALA A 139 -2.705 9.177 5.416 1.00 1.18 C ATOM 2045 O ALA A 139 -3.907 9.081 5.182 1.00 1.30 O ATOM 2046 CB ALA A 139 -2.937 11.587 6.267 1.00 1.60 C ATOM 0 H ALA A 139 -2.256 11.724 3.909 1.00 1.27 H new ATOM 0 HA ALA A 139 -1.171 10.348 6.261 1.00 1.23 H new ATOM 0 HB1 ALA A 139 -3.295 11.202 7.222 1.00 1.60 H new ATOM 0 HB2 ALA A 139 -2.380 12.509 6.434 1.00 1.60 H new ATOM 0 HB3 ALA A 139 -3.787 11.789 5.615 1.00 1.60 H new ATOM 2052 N ALA A 140 -1.927 8.108 5.583 1.00 1.56 N ATOM 2053 CA ALA A 140 -2.405 6.739 5.790 1.00 1.41 C ATOM 2054 C ALA A 140 -2.969 6.530 7.198 1.00 1.28 C ATOM 2055 O ALA A 140 -2.811 7.375 8.088 1.00 1.34 O ATOM 2056 CB ALA A 140 -1.235 5.784 5.518 1.00 1.29 C ATOM 0 H ALA A 140 -0.909 8.173 5.578 1.00 1.56 H new ATOM 0 HA ALA A 140 -3.228 6.538 5.104 1.00 1.41 H new ATOM 0 HB1 ALA A 140 -1.563 4.755 5.665 1.00 1.29 H new ATOM 0 HB2 ALA A 140 -0.892 5.912 4.491 1.00 1.29 H new ATOM 0 HB3 ALA A 140 -0.418 6.005 6.204 1.00 1.29 H new ATOM 2062 N THR A 141 -3.610 5.381 7.414 1.00 1.22 N ATOM 2063 CA THR A 141 -4.188 4.999 8.713 1.00 1.21 C ATOM 2064 C THR A 141 -3.706 3.607 9.103 1.00 1.05 C ATOM 2065 O THR A 141 -3.181 2.855 8.285 1.00 1.04 O ATOM 2066 CB THR A 141 -5.726 5.089 8.681 1.00 1.39 C ATOM 2067 OG1 THR A 141 -6.134 6.156 7.860 1.00 1.60 O ATOM 2068 CG2 THR A 141 -6.335 5.376 10.057 1.00 1.60 C ATOM 0 H THR A 141 -3.747 4.678 6.687 1.00 1.22 H new ATOM 0 HA THR A 141 -3.848 5.700 9.475 1.00 1.21 H new ATOM 0 HB THR A 141 -6.065 4.120 8.315 1.00 1.39 H new ATOM 0 HG1 THR A 141 -7.113 6.202 7.846 1.00 1.60 H new ATOM 0 HG21 THR A 141 -7.420 5.428 9.971 1.00 1.60 H new ATOM 0 HG22 THR A 141 -6.064 4.578 10.749 1.00 1.60 H new ATOM 0 HG23 THR A 141 -5.955 6.326 10.432 1.00 1.60 H new ATOM 2076 N VAL A 142 -3.886 3.241 10.358 1.00 1.10 N ATOM 2077 CA VAL A 142 -3.824 1.848 10.804 1.00 1.12 C ATOM 2078 C VAL A 142 -5.245 1.235 10.722 1.00 1.58 C ATOM 2079 O VAL A 142 -6.230 1.972 10.613 1.00 2.30 O ATOM 2080 CB VAL A 142 -3.210 1.823 12.220 1.00 1.26 C ATOM 2081 CG1 VAL A 142 -3.052 0.416 12.805 1.00 1.66 C ATOM 2082 CG2 VAL A 142 -1.807 2.458 12.226 1.00 1.29 C ATOM 0 H VAL A 142 -4.082 3.903 11.109 1.00 1.10 H new ATOM 0 HA VAL A 142 -3.186 1.235 10.168 1.00 1.12 H new ATOM 0 HB VAL A 142 -3.917 2.385 12.830 1.00 1.26 H new ATOM 0 HG11 VAL A 142 -2.614 0.483 13.801 1.00 1.66 H new ATOM 0 HG12 VAL A 142 -4.029 -0.063 12.869 1.00 1.66 H new ATOM 0 HG13 VAL A 142 -2.400 -0.175 12.161 1.00 1.66 H new ATOM 0 HG21 VAL A 142 -1.398 2.427 13.236 1.00 1.29 H new ATOM 0 HG22 VAL A 142 -1.154 1.903 11.553 1.00 1.29 H new ATOM 0 HG23 VAL A 142 -1.875 3.494 11.894 1.00 1.29 H new ATOM 2092 N LYS A 143 -5.377 -0.097 10.792 1.00 1.31 N ATOM 2093 CA LYS A 143 -6.555 -0.741 11.403 1.00 1.39 C ATOM 2094 C LYS A 143 -6.195 -2.134 11.954 1.00 1.31 C ATOM 2095 O LYS A 143 -6.357 -3.146 11.273 1.00 1.82 O ATOM 2096 CB LYS A 143 -7.749 -0.818 10.420 1.00 1.61 C ATOM 2097 CG LYS A 143 -9.020 -1.391 11.099 1.00 1.79 C ATOM 2098 CD LYS A 143 -9.853 -2.255 10.139 1.00 2.68 C ATOM 2099 CE LYS A 143 -10.880 -3.145 10.863 1.00 3.37 C ATOM 2100 NZ LYS A 143 -11.948 -2.370 11.539 1.00 3.44 N ATOM 0 H LYS A 143 -4.683 -0.753 10.433 1.00 1.31 H new ATOM 0 HA LYS A 143 -6.871 -0.116 12.238 1.00 1.39 H new ATOM 0 HB2 LYS A 143 -7.963 0.177 10.030 1.00 1.61 H new ATOM 0 HB3 LYS A 143 -7.479 -1.443 9.569 1.00 1.61 H new ATOM 0 HG2 LYS A 143 -8.730 -1.988 11.963 1.00 1.79 H new ATOM 0 HG3 LYS A 143 -9.633 -0.570 11.470 1.00 1.79 H new ATOM 0 HD2 LYS A 143 -10.375 -1.606 9.436 1.00 2.68 H new ATOM 0 HD3 LYS A 143 -9.184 -2.885 9.554 1.00 2.68 H new ATOM 0 HE2 LYS A 143 -11.334 -3.825 10.143 1.00 3.37 H new ATOM 0 HE3 LYS A 143 -10.363 -3.760 11.600 1.00 3.37 H new ATOM 0 HZ1 LYS A 143 -12.608 -3.023 12.008 1.00 3.44 H new ATOM 0 HZ2 LYS A 143 -11.523 -1.739 12.248 1.00 3.44 H new ATOM 0 HZ3 LYS A 143 -12.464 -1.803 10.836 1.00 3.44 H new ATOM 2114 N LYS A 144 -5.740 -2.162 13.213 1.00 1.63 N ATOM 2115 CA LYS A 144 -5.319 -3.362 13.968 1.00 2.09 C ATOM 2116 C LYS A 144 -4.076 -4.039 13.343 1.00 2.71 C ATOM 2117 O LYS A 144 -3.505 -3.532 12.382 1.00 3.89 O ATOM 2118 CB LYS A 144 -6.529 -4.309 14.207 1.00 2.64 C ATOM 2119 CG LYS A 144 -6.578 -5.539 13.279 1.00 3.21 C ATOM 2120 CD LYS A 144 -7.979 -6.030 12.913 1.00 4.55 C ATOM 2121 CE LYS A 144 -7.869 -7.198 11.918 1.00 6.01 C ATOM 2122 NZ LYS A 144 -7.177 -6.799 10.667 1.00 7.26 N ATOM 0 H LYS A 144 -5.649 -1.309 13.765 1.00 1.63 H new ATOM 0 HA LYS A 144 -4.981 -3.056 14.958 1.00 2.09 H new ATOM 0 HB2 LYS A 144 -6.506 -4.652 15.241 1.00 2.64 H new ATOM 0 HB3 LYS A 144 -7.449 -3.739 14.081 1.00 2.64 H new ATOM 0 HG2 LYS A 144 -6.043 -5.301 12.359 1.00 3.21 H new ATOM 0 HG3 LYS A 144 -6.039 -6.356 13.758 1.00 3.21 H new ATOM 0 HD2 LYS A 144 -8.509 -6.351 13.810 1.00 4.55 H new ATOM 0 HD3 LYS A 144 -8.558 -5.217 12.474 1.00 4.55 H new ATOM 0 HE2 LYS A 144 -7.329 -8.022 12.384 1.00 6.01 H new ATOM 0 HE3 LYS A 144 -8.867 -7.566 11.679 1.00 6.01 H new ATOM 0 HZ1 LYS A 144 -7.398 -7.482 9.915 1.00 7.26 H new ATOM 0 HZ2 LYS A 144 -7.497 -5.852 10.380 1.00 7.26 H new ATOM 0 HZ3 LYS A 144 -6.150 -6.783 10.829 1.00 7.26 H new ATOM 2136 N ASN A 145 -3.652 -5.186 13.865 1.00 3.08 N ATOM 2137 CA ASN A 145 -2.599 -6.044 13.307 1.00 4.31 C ATOM 2138 C ASN A 145 -3.034 -6.796 12.015 1.00 3.52 C ATOM 2139 O ASN A 145 -4.076 -6.522 11.407 1.00 3.86 O ATOM 2140 CB ASN A 145 -2.189 -7.024 14.426 1.00 6.01 C ATOM 2141 CG ASN A 145 -3.323 -7.990 14.744 1.00 6.43 C ATOM 2142 OD1 ASN A 145 -3.497 -9.002 14.082 1.00 6.45 O ATOM 2143 ND2 ASN A 145 -4.194 -7.632 15.666 1.00 7.16 N ATOM 0 H ASN A 145 -4.047 -5.564 14.726 1.00 3.08 H new ATOM 0 HA ASN A 145 -1.757 -5.429 12.990 1.00 4.31 H new ATOM 0 HB2 ASN A 145 -1.305 -7.583 14.120 1.00 6.01 H new ATOM 0 HB3 ASN A 145 -1.919 -6.466 15.323 1.00 6.01 H new ATOM 0 HD21 ASN A 145 -5.023 -8.202 15.833 1.00 7.16 H new ATOM 0 HD22 ASN A 145 -4.039 -6.785 16.213 1.00 7.16 H new ATOM 2150 N ILE A 146 -2.257 -7.816 11.622 1.00 3.33 N ATOM 2151 CA ILE A 146 -2.639 -8.799 10.588 1.00 3.18 C ATOM 2152 C ILE A 146 -2.028 -10.173 10.876 1.00 3.46 C ATOM 2153 O ILE A 146 -2.765 -11.138 11.034 1.00 3.76 O ATOM 2154 CB ILE A 146 -2.379 -8.216 9.168 1.00 3.58 C ATOM 2155 CG1 ILE A 146 -3.268 -8.843 8.068 1.00 4.01 C ATOM 2156 CG2 ILE A 146 -0.896 -8.165 8.753 1.00 4.88 C ATOM 2157 CD1 ILE A 146 -3.042 -10.322 7.727 1.00 4.32 C ATOM 0 H ILE A 146 -1.332 -7.987 12.017 1.00 3.33 H new ATOM 0 HA ILE A 146 -3.713 -8.985 10.619 1.00 3.18 H new ATOM 0 HB ILE A 146 -2.687 -7.175 9.263 1.00 3.58 H new ATOM 0 HG12 ILE A 146 -4.309 -8.723 8.369 1.00 4.01 H new ATOM 0 HG13 ILE A 146 -3.131 -8.263 7.155 1.00 4.01 H new ATOM 0 HG21 ILE A 146 -0.813 -7.745 7.751 1.00 4.88 H new ATOM 0 HG22 ILE A 146 -0.343 -7.541 9.455 1.00 4.88 H new ATOM 0 HG23 ILE A 146 -0.482 -9.173 8.759 1.00 4.88 H new ATOM 0 HD11 ILE A 146 -3.734 -10.624 6.941 1.00 4.32 H new ATOM 0 HD12 ILE A 146 -2.018 -10.464 7.382 1.00 4.32 H new ATOM 0 HD13 ILE A 146 -3.213 -10.930 8.615 1.00 4.32 H new ATOM 2169 N GLU A 147 -0.705 -10.265 11.000 1.00 3.84 N ATOM 2170 CA GLU A 147 0.005 -11.523 11.271 1.00 4.67 C ATOM 2171 C GLU A 147 0.292 -11.742 12.768 1.00 4.44 C ATOM 2172 O GLU A 147 -0.080 -12.781 13.314 1.00 5.10 O ATOM 2173 CB GLU A 147 1.327 -11.524 10.487 1.00 5.97 C ATOM 2174 CG GLU A 147 1.992 -12.905 10.511 1.00 6.91 C ATOM 2175 CD GLU A 147 3.508 -12.767 10.498 1.00 8.22 C ATOM 2176 OE1 GLU A 147 4.065 -12.279 9.502 1.00 9.00 O ATOM 2177 OE2 GLU A 147 4.132 -13.202 11.506 1.00 8.84 O ATOM 0 H GLU A 147 -0.084 -9.460 10.915 1.00 3.84 H new ATOM 0 HA GLU A 147 -0.641 -12.341 10.953 1.00 4.67 H new ATOM 0 HB2 GLU A 147 1.140 -11.227 9.455 1.00 5.97 H new ATOM 0 HB3 GLU A 147 2.005 -10.785 10.914 1.00 5.97 H new ATOM 0 HG2 GLU A 147 1.678 -13.451 11.401 1.00 6.91 H new ATOM 0 HG3 GLU A 147 1.666 -13.487 9.649 1.00 6.91 H new