USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 976 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 145 THR OG1 : rot 41:sc= 0.147 USER MOD Set 1.2: A 147 HIS : no HD1:sc= -0.0721 X(o=0.075,f=0.066) USER MOD Set 2.1: A 106 TYR OH : rot 130:sc= 0 USER MOD Set 2.2: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 2.38 (180deg=1.42) USER MOD Single : A 5 SER OG : rot 55:sc= 0.398 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0452 X(o=-0.045,f=-0.25) USER MOD Single : A 33 TYR OH : rot 109:sc= 0.51 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -20:sc= 0.32 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -126:sc= 1.28 USER MOD Single : A 61 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.079) USER MOD Single : A 64 MET CE :methyl 165:sc= -0.0322 (180deg=-0.147) USER MOD Single : A 65 SER OG : rot 26:sc= 0.179 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -50:sc= 0.194 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 77:sc= 1.08 USER MOD Single : A 96 THR OG1 : rot -160:sc= -0.266 USER MOD Single : A 98 TYR OH : rot -28:sc= 1.06 USER MOD Single : A 110 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.018) USER MOD Single : A 119 SER OG : rot 180:sc= 1.03 USER MOD Single : A 129 THR OG1 : rot -34:sc= 0.161 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 30:sc= -0.0102 USER MOD Single : A 151 THR OG1 : rot 40:sc= 1.12 USER MOD Single : A 153 GLN : amide:sc= -0.795 K(o=-0.79,f=-0.082) USER MOD Single : A 158 SER OG : rot -178:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.425 -2.796 -12.725 1.00 0.00 N ATOM 2 CA MET A 1 -9.876 -2.529 -11.321 1.00 0.00 C ATOM 3 C MET A 1 -9.857 -3.708 -10.267 1.00 0.00 C ATOM 4 O MET A 1 -10.710 -3.744 -9.375 1.00 0.00 O ATOM 5 CB MET A 1 -11.236 -1.776 -11.421 1.00 0.00 C ATOM 6 CG MET A 1 -12.460 -2.585 -11.922 1.00 0.00 C ATOM 7 SD MET A 1 -12.522 -2.597 -13.728 1.00 0.00 S ATOM 8 CE MET A 1 -14.172 -3.278 -13.958 1.00 0.00 C ATOM 0 H1 MET A 1 -9.001 -1.934 -13.123 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.720 -3.560 -12.724 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.241 -3.079 -13.304 1.00 0.00 H new ATOM 0 HA MET A 1 -9.100 -1.919 -10.858 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.475 -1.378 -10.435 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.101 -0.922 -12.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.404 -3.607 -11.548 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.377 -2.150 -11.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.387 -3.359 -15.024 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.225 -4.266 -13.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.905 -2.622 -13.489 1.00 0.00 H new ATOM 20 N GLU A 2 -8.848 -4.606 -10.275 1.00 0.00 N ATOM 21 CA GLU A 2 -8.504 -5.463 -9.084 1.00 0.00 C ATOM 22 C GLU A 2 -7.831 -4.617 -7.921 1.00 0.00 C ATOM 23 O GLU A 2 -7.580 -3.417 -8.082 1.00 0.00 O ATOM 24 CB GLU A 2 -7.775 -6.743 -9.644 1.00 0.00 C ATOM 25 CG GLU A 2 -6.534 -7.331 -8.902 1.00 0.00 C ATOM 26 CD GLU A 2 -5.663 -8.313 -9.673 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.147 -7.939 -10.745 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.423 -9.431 -9.172 1.00 0.00 O ATOM 0 H GLU A 2 -8.249 -4.768 -11.085 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.369 -5.843 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.519 -7.537 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.464 -6.517 -10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.905 -6.499 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.885 -7.829 -7.998 1.00 0.00 H new ATOM 35 N LEU A 3 -7.579 -5.206 -6.736 1.00 0.00 N ATOM 36 CA LEU A 3 -7.088 -4.453 -5.535 1.00 0.00 C ATOM 37 C LEU A 3 -5.906 -5.163 -4.787 1.00 0.00 C ATOM 38 O LEU A 3 -6.050 -6.299 -4.324 1.00 0.00 O ATOM 39 CB LEU A 3 -8.306 -4.141 -4.604 1.00 0.00 C ATOM 40 CG LEU A 3 -8.748 -2.652 -4.596 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.099 -2.498 -3.888 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.738 -1.706 -3.917 1.00 0.00 C ATOM 0 H LEU A 3 -7.704 -6.205 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.650 -3.514 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.151 -4.756 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.054 -4.437 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.816 -2.366 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.394 -1.449 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.852 -3.088 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.012 -2.847 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.117 -0.684 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.599 -2.007 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.783 -1.757 -4.441 1.00 0.00 H new ATOM 54 N VAL A 4 -4.746 -4.487 -4.641 1.00 0.00 N ATOM 55 CA VAL A 4 -3.472 -5.122 -4.168 1.00 0.00 C ATOM 56 C VAL A 4 -2.739 -4.304 -3.024 1.00 0.00 C ATOM 57 O VAL A 4 -2.687 -3.072 -3.035 1.00 0.00 O ATOM 58 CB VAL A 4 -2.606 -5.503 -5.425 1.00 0.00 C ATOM 59 CG1 VAL A 4 -2.142 -4.362 -6.363 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.360 -6.334 -5.066 1.00 0.00 C ATOM 0 H VAL A 4 -4.654 -3.491 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.690 -6.052 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.340 -6.081 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.556 -4.780 -7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.013 -3.846 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.530 -3.656 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.803 -6.566 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.726 -5.764 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.668 -7.261 -4.582 1.00 0.00 H new ATOM 70 N SER A 5 -2.171 -4.992 -2.011 1.00 0.00 N ATOM 71 CA SER A 5 -1.657 -4.349 -0.751 1.00 0.00 C ATOM 72 C SER A 5 -0.108 -4.087 -0.768 1.00 0.00 C ATOM 73 O SER A 5 0.655 -5.032 -0.959 1.00 0.00 O ATOM 74 CB SER A 5 -1.987 -5.220 0.498 1.00 0.00 C ATOM 75 OG SER A 5 -3.107 -6.104 0.401 1.00 0.00 O ATOM 0 H SER A 5 -2.049 -6.005 -2.029 1.00 0.00 H new ATOM 0 HA SER A 5 -2.165 -3.386 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.106 -5.816 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.157 -4.551 1.341 1.00 0.00 H new ATOM 0 HG SER A 5 -2.996 -6.688 -0.378 1.00 0.00 H new ATOM 81 N VAL A 6 0.384 -2.853 -0.553 1.00 0.00 N ATOM 82 CA VAL A 6 1.797 -2.471 -0.909 1.00 0.00 C ATOM 83 C VAL A 6 2.519 -1.749 0.298 1.00 0.00 C ATOM 84 O VAL A 6 2.726 -0.532 0.333 1.00 0.00 O ATOM 85 CB VAL A 6 1.903 -1.830 -2.364 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.636 -1.855 -3.259 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.467 -0.402 -2.516 1.00 0.00 C ATOM 0 H VAL A 6 -0.158 -2.095 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 6 2.409 -3.364 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 6 2.643 -2.555 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.858 -1.385 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.327 -2.887 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.169 -1.310 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.469 -0.122 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.845 0.296 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.486 -0.370 -2.130 1.00 0.00 H new ATOM 97 N ALA A 7 2.961 -2.522 1.303 1.00 0.00 N ATOM 98 CA ALA A 7 3.802 -2.015 2.424 1.00 0.00 C ATOM 99 C ALA A 7 5.334 -2.302 2.254 1.00 0.00 C ATOM 100 O ALA A 7 5.764 -3.014 1.342 1.00 0.00 O ATOM 101 CB ALA A 7 3.191 -2.657 3.689 1.00 0.00 C ATOM 0 H ALA A 7 2.751 -3.518 1.371 1.00 0.00 H new ATOM 0 HA ALA A 7 3.782 -0.926 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.752 -2.336 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.151 -2.346 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.238 -3.743 3.605 1.00 0.00 H new ATOM 107 N ALA A 8 6.161 -1.734 3.146 1.00 0.00 N ATOM 108 CA ALA A 8 7.582 -2.153 3.320 1.00 0.00 C ATOM 109 C ALA A 8 7.862 -2.630 4.784 1.00 0.00 C ATOM 110 O ALA A 8 7.550 -1.919 5.746 1.00 0.00 O ATOM 111 CB ALA A 8 8.462 -0.958 2.912 1.00 0.00 C ATOM 0 H ALA A 8 5.877 -0.977 3.768 1.00 0.00 H new ATOM 0 HA ALA A 8 7.812 -3.011 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.513 -1.225 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.264 -0.698 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.234 -0.104 3.549 1.00 0.00 H new ATOM 117 N LEU A 9 8.450 -3.825 4.958 1.00 0.00 N ATOM 118 CA LEU A 9 8.806 -4.356 6.306 1.00 0.00 C ATOM 119 C LEU A 9 10.211 -3.908 6.803 1.00 0.00 C ATOM 120 O LEU A 9 11.180 -3.855 6.045 1.00 0.00 O ATOM 121 CB LEU A 9 8.785 -5.916 6.350 1.00 0.00 C ATOM 122 CG LEU A 9 7.462 -6.638 6.036 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.646 -8.160 6.150 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.315 -6.193 6.954 1.00 0.00 C ATOM 0 H LEU A 9 8.693 -4.450 4.189 1.00 0.00 H new ATOM 0 HA LEU A 9 8.041 -3.938 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.536 -6.278 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.104 -6.225 7.346 1.00 0.00 H new ATOM 0 HG LEU A 9 7.192 -6.369 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.703 -8.658 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.407 -8.488 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.958 -8.414 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.406 -6.733 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.575 -6.407 7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.148 -5.122 6.835 1.00 0.00 H new ATOM 136 N ALA A 10 10.315 -3.737 8.121 1.00 0.00 N ATOM 137 CA ALA A 10 11.608 -3.731 8.845 1.00 0.00 C ATOM 138 C ALA A 10 11.906 -5.013 9.710 1.00 0.00 C ATOM 139 O ALA A 10 12.469 -4.882 10.801 1.00 0.00 O ATOM 140 CB ALA A 10 11.461 -2.460 9.707 1.00 0.00 C ATOM 0 H ALA A 10 9.508 -3.597 8.728 1.00 0.00 H new ATOM 0 HA ALA A 10 12.461 -3.737 8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.359 -2.323 10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.323 -1.595 9.059 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.597 -2.563 10.363 1.00 0.00 H new ATOM 400 N PRO A 27 16.825 2.538 -3.428 1.00 0.00 N ATOM 401 CA PRO A 27 16.322 2.562 -4.836 1.00 0.00 C ATOM 402 C PRO A 27 15.824 1.255 -5.541 1.00 0.00 C ATOM 403 O PRO A 27 15.024 1.369 -6.467 1.00 0.00 O ATOM 404 CB PRO A 27 17.503 3.224 -5.566 1.00 0.00 C ATOM 405 CG PRO A 27 18.103 4.176 -4.532 1.00 0.00 C ATOM 406 CD PRO A 27 18.000 3.407 -3.217 1.00 0.00 C ATOM 0 HA PRO A 27 15.361 3.076 -4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.232 2.484 -5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.171 3.761 -6.455 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.138 4.423 -4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.553 5.116 -4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.901 2.826 -3.018 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.859 4.077 -2.369 1.00 0.00 H new ATOM 414 N ALA A 28 16.255 0.059 -5.103 1.00 0.00 N ATOM 415 CA ALA A 28 15.674 -1.245 -5.536 1.00 0.00 C ATOM 416 C ALA A 28 14.222 -1.559 -5.030 1.00 0.00 C ATOM 417 O ALA A 28 13.360 -1.864 -5.859 1.00 0.00 O ATOM 418 CB ALA A 28 16.706 -2.317 -5.135 1.00 0.00 C ATOM 0 H ALA A 28 17.019 -0.042 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 28 15.509 -1.218 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.340 -3.302 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.652 -2.118 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.858 -2.290 -4.056 1.00 0.00 H new ATOM 424 N ASP A 29 13.931 -1.401 -3.716 1.00 0.00 N ATOM 425 CA ASP A 29 12.540 -1.239 -3.174 1.00 0.00 C ATOM 426 C ASP A 29 11.649 -0.250 -4.014 1.00 0.00 C ATOM 427 O ASP A 29 10.663 -0.666 -4.629 1.00 0.00 O ATOM 428 CB ASP A 29 12.653 -0.856 -1.660 1.00 0.00 C ATOM 429 CG ASP A 29 11.406 -0.265 -0.973 1.00 0.00 C ATOM 430 OD1 ASP A 29 10.295 -0.821 -1.120 1.00 0.00 O ATOM 431 OD2 ASP A 29 11.523 0.821 -0.354 1.00 0.00 O ATOM 0 H ASP A 29 14.649 -1.381 -2.992 1.00 0.00 H new ATOM 0 HA ASP A 29 12.005 -2.185 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.947 -1.750 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.465 -0.136 -1.556 1.00 0.00 H new ATOM 436 N LYS A 30 12.061 1.025 -4.137 1.00 0.00 N ATOM 437 CA LYS A 30 11.348 2.023 -4.993 1.00 0.00 C ATOM 438 C LYS A 30 11.615 1.910 -6.559 1.00 0.00 C ATOM 439 O LYS A 30 11.254 2.824 -7.309 1.00 0.00 O ATOM 440 CB LYS A 30 11.526 3.434 -4.335 1.00 0.00 C ATOM 441 CG LYS A 30 11.087 3.603 -2.843 1.00 0.00 C ATOM 442 CD LYS A 30 9.559 3.574 -2.545 1.00 0.00 C ATOM 443 CE LYS A 30 9.140 2.911 -1.206 1.00 0.00 C ATOM 444 NZ LYS A 30 9.670 3.651 -0.025 1.00 0.00 N ATOM 0 H LYS A 30 12.881 1.399 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 30 10.282 1.795 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.579 3.707 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.968 4.155 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.560 2.813 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.485 4.550 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.188 4.599 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.060 3.049 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.052 2.867 -1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.502 1.883 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.367 3.174 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.709 3.671 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.304 4.625 -0.033 1.00 0.00 H new ATOM 458 N LYS A 31 12.118 0.760 -7.072 1.00 0.00 N ATOM 459 CA LYS A 31 11.816 0.255 -8.449 1.00 0.00 C ATOM 460 C LYS A 31 10.567 -0.684 -8.513 1.00 0.00 C ATOM 461 O LYS A 31 9.755 -0.486 -9.410 1.00 0.00 O ATOM 462 CB LYS A 31 13.012 -0.485 -9.125 1.00 0.00 C ATOM 463 CG LYS A 31 14.308 0.294 -9.467 1.00 0.00 C ATOM 464 CD LYS A 31 14.133 1.706 -10.076 1.00 0.00 C ATOM 465 CE LYS A 31 13.454 1.778 -11.461 1.00 0.00 C ATOM 466 NZ LYS A 31 14.402 1.305 -12.516 1.00 0.00 N ATOM 0 H LYS A 31 12.746 0.151 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 31 11.606 1.170 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.293 -1.312 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.641 -0.922 -10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.898 0.388 -8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.892 -0.307 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.551 2.309 -9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.117 2.169 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.553 1.164 -11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.143 2.801 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.940 1.356 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.249 1.908 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.678 0.322 -12.319 1.00 0.00 H new ATOM 480 N GLN A 32 10.409 -1.703 -7.647 1.00 0.00 N ATOM 481 CA GLN A 32 9.164 -2.533 -7.589 1.00 0.00 C ATOM 482 C GLN A 32 7.903 -1.772 -7.050 1.00 0.00 C ATOM 483 O GLN A 32 6.864 -1.710 -7.714 1.00 0.00 O ATOM 484 CB GLN A 32 9.514 -3.807 -6.781 1.00 0.00 C ATOM 485 CG GLN A 32 8.474 -4.955 -6.872 1.00 0.00 C ATOM 486 CD GLN A 32 8.407 -5.699 -8.219 1.00 0.00 C ATOM 487 OE1 GLN A 32 9.392 -5.861 -8.934 1.00 0.00 O ATOM 488 NE2 GLN A 32 7.261 -6.206 -8.598 1.00 0.00 N ATOM 0 H GLN A 32 11.122 -1.981 -6.972 1.00 0.00 H new ATOM 0 HA GLN A 32 8.854 -2.798 -8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.477 -4.183 -7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.636 -3.531 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.694 -5.681 -6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.488 -4.543 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.432 -6.082 -8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.198 -6.725 -9.474 1.00 0.00 H new ATOM 497 N TYR A 33 8.039 -1.113 -5.893 1.00 0.00 N ATOM 498 CA TYR A 33 7.101 -0.065 -5.395 1.00 0.00 C ATOM 499 C TYR A 33 6.833 1.169 -6.352 1.00 0.00 C ATOM 500 O TYR A 33 5.817 1.841 -6.184 1.00 0.00 O ATOM 501 CB TYR A 33 7.714 0.367 -4.026 1.00 0.00 C ATOM 502 CG TYR A 33 6.773 0.709 -2.860 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.014 1.889 -2.827 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.775 -0.131 -1.740 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.258 2.201 -1.696 1.00 0.00 C ATOM 506 CE2 TYR A 33 6.019 0.182 -0.619 1.00 0.00 C ATOM 507 CZ TYR A 33 5.255 1.340 -0.602 1.00 0.00 C ATOM 508 OH TYR A 33 4.438 1.559 0.467 1.00 0.00 O ATOM 0 H TYR A 33 8.815 -1.287 -5.254 1.00 0.00 H new ATOM 0 HA TYR A 33 6.096 -0.481 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.372 -0.436 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.342 1.239 -4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.015 2.556 -3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.371 -1.032 -1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.676 3.110 -1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.025 -0.475 0.238 1.00 0.00 H new ATOM 0 HH TYR A 33 3.727 0.885 0.479 1.00 0.00 H new ATOM 518 N ARG A 34 7.700 1.465 -7.352 1.00 0.00 N ATOM 519 CA ARG A 34 7.317 2.306 -8.537 1.00 0.00 C ATOM 520 C ARG A 34 7.442 1.572 -9.939 1.00 0.00 C ATOM 521 O ARG A 34 7.889 2.144 -10.937 1.00 0.00 O ATOM 522 CB ARG A 34 8.082 3.665 -8.446 1.00 0.00 C ATOM 523 CG ARG A 34 7.365 4.827 -9.195 1.00 0.00 C ATOM 524 CD ARG A 34 8.252 5.965 -9.744 1.00 0.00 C ATOM 525 NE ARG A 34 8.427 7.106 -8.802 1.00 0.00 N ATOM 526 CZ ARG A 34 9.372 7.219 -7.882 1.00 0.00 C ATOM 527 NH1 ARG A 34 10.237 6.276 -7.623 1.00 0.00 N ATOM 528 NH2 ARG A 34 9.428 8.323 -7.210 1.00 0.00 N ATOM 0 H ARG A 34 8.667 1.140 -7.371 1.00 0.00 H new ATOM 0 HA ARG A 34 6.246 2.504 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.202 3.937 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.083 3.539 -8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.809 4.399 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.634 5.266 -8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.233 5.559 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.816 6.337 -10.671 1.00 0.00 H new ATOM 0 HE ARG A 34 7.756 7.871 -8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.205 5.398 -8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.945 6.417 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.758 9.069 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.142 8.448 -6.493 1.00 0.00 H new ATOM 542 N SER A 35 7.010 0.304 -10.014 1.00 0.00 N ATOM 543 CA SER A 35 6.672 -0.431 -11.276 1.00 0.00 C ATOM 544 C SER A 35 5.323 -1.233 -11.162 1.00 0.00 C ATOM 545 O SER A 35 4.680 -1.450 -12.190 1.00 0.00 O ATOM 546 CB SER A 35 7.823 -1.364 -11.718 1.00 0.00 C ATOM 547 OG SER A 35 7.529 -1.977 -12.977 1.00 0.00 O ATOM 0 H SER A 35 6.877 -0.270 -9.181 1.00 0.00 H new ATOM 0 HA SER A 35 6.534 0.330 -12.044 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.749 -0.794 -11.794 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.983 -2.134 -10.963 1.00 0.00 H new ATOM 0 HG SER A 35 8.271 -2.561 -13.238 1.00 0.00 H new ATOM 553 N ARG A 36 4.873 -1.664 -9.958 1.00 0.00 N ATOM 554 CA ARG A 36 3.420 -1.660 -9.608 1.00 0.00 C ATOM 555 C ARG A 36 2.786 -0.224 -9.623 1.00 0.00 C ATOM 556 O ARG A 36 1.902 0.018 -10.443 1.00 0.00 O ATOM 557 CB ARG A 36 3.210 -2.407 -8.245 1.00 0.00 C ATOM 558 CG ARG A 36 2.728 -3.875 -8.374 1.00 0.00 C ATOM 559 CD ARG A 36 1.210 -4.006 -8.613 1.00 0.00 C ATOM 560 NE ARG A 36 0.886 -5.438 -8.895 1.00 0.00 N ATOM 561 CZ ARG A 36 0.378 -5.927 -10.020 1.00 0.00 C ATOM 562 NH1 ARG A 36 -0.030 -5.190 -11.018 1.00 0.00 N ATOM 563 NH2 ARG A 36 0.284 -7.215 -10.129 1.00 0.00 N ATOM 0 H ARG A 36 5.481 -2.015 -9.218 1.00 0.00 H new ATOM 0 HA ARG A 36 2.880 -2.201 -10.385 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.149 -2.395 -7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.484 -1.852 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.260 -4.353 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.993 -4.417 -7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.659 -3.660 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.905 -3.378 -9.450 1.00 0.00 H new ATOM 0 HE ARG A 36 1.074 -6.107 -8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.032 -4.174 -10.960 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.411 -5.631 -11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.595 -7.815 -9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.101 -7.628 -10.978 1.00 0.00 H new ATOM 577 N VAL A 37 3.259 0.723 -8.784 1.00 0.00 N ATOM 578 CA VAL A 37 2.774 2.143 -8.813 1.00 0.00 C ATOM 579 C VAL A 37 3.513 2.956 -9.944 1.00 0.00 C ATOM 580 O VAL A 37 4.508 3.632 -9.678 1.00 0.00 O ATOM 581 CB VAL A 37 2.891 2.837 -7.399 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.148 4.191 -7.373 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.422 2.034 -6.158 1.00 0.00 C ATOM 0 H VAL A 37 3.972 0.543 -8.078 1.00 0.00 H new ATOM 0 HA VAL A 37 1.711 2.132 -9.055 1.00 0.00 H new ATOM 0 HB VAL A 37 3.972 2.939 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.248 4.642 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.578 4.857 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.093 4.031 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.562 2.637 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.367 1.782 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.007 1.118 -6.075 1.00 0.00 H new ATOM 593 N ALA A 38 3.064 2.863 -11.209 1.00 0.00 N ATOM 594 CA ALA A 38 3.693 3.589 -12.351 1.00 0.00 C ATOM 595 C ALA A 38 2.888 4.851 -12.804 1.00 0.00 C ATOM 596 O ALA A 38 3.209 5.959 -12.370 1.00 0.00 O ATOM 597 CB ALA A 38 4.015 2.546 -13.447 1.00 0.00 C ATOM 0 H ALA A 38 2.263 2.291 -11.477 1.00 0.00 H new ATOM 0 HA ALA A 38 4.635 4.047 -12.050 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.477 3.044 -14.299 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.701 1.799 -13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.094 2.059 -13.767 1.00 0.00 H new ATOM 603 N ASP A 39 1.870 4.693 -13.664 1.00 0.00 N ATOM 604 CA ASP A 39 1.000 5.818 -14.128 1.00 0.00 C ATOM 605 C ASP A 39 -0.535 5.518 -13.898 1.00 0.00 C ATOM 606 O ASP A 39 -1.376 5.835 -14.742 1.00 0.00 O ATOM 607 CB ASP A 39 1.430 6.107 -15.601 1.00 0.00 C ATOM 608 CG ASP A 39 1.130 7.499 -16.160 1.00 0.00 C ATOM 609 OD1 ASP A 39 0.865 8.443 -15.384 1.00 0.00 O ATOM 610 OD2 ASP A 39 1.225 7.663 -17.396 1.00 0.00 O ATOM 0 H ASP A 39 1.616 3.790 -14.064 1.00 0.00 H new ATOM 0 HA ASP A 39 1.137 6.727 -13.542 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.504 5.937 -15.678 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.944 5.373 -16.244 1.00 0.00 H new ATOM 615 N ASP A 40 -0.923 4.935 -12.737 1.00 0.00 N ATOM 616 CA ASP A 40 -2.308 4.410 -12.499 1.00 0.00 C ATOM 617 C ASP A 40 -2.803 4.629 -10.996 1.00 0.00 C ATOM 618 O ASP A 40 -1.953 4.721 -10.097 1.00 0.00 O ATOM 619 CB ASP A 40 -2.326 2.928 -13.002 1.00 0.00 C ATOM 620 CG ASP A 40 -3.621 2.438 -13.642 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.327 3.231 -14.302 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.949 1.245 -13.479 1.00 0.00 O ATOM 0 H ASP A 40 -0.298 4.812 -11.941 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.048 4.975 -13.066 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.521 2.804 -13.726 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.097 2.279 -12.157 1.00 0.00 H new ATOM 627 N PRO A 41 -4.130 4.745 -10.651 1.00 0.00 N ATOM 628 CA PRO A 41 -4.626 5.168 -9.305 1.00 0.00 C ATOM 629 C PRO A 41 -4.080 4.531 -7.979 1.00 0.00 C ATOM 630 O PRO A 41 -4.109 3.316 -7.763 1.00 0.00 O ATOM 631 CB PRO A 41 -6.145 4.933 -9.435 1.00 0.00 C ATOM 632 CG PRO A 41 -6.482 5.091 -10.918 1.00 0.00 C ATOM 633 CD PRO A 41 -5.219 4.639 -11.640 1.00 0.00 C ATOM 0 HA PRO A 41 -4.259 6.180 -9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.416 3.939 -9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.702 5.650 -8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.341 4.481 -11.198 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.732 6.124 -11.162 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.320 3.616 -12.002 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.020 5.266 -12.509 1.00 0.00 H new ATOM 641 N VAL A 42 -3.650 5.398 -7.048 1.00 0.00 N ATOM 642 CA VAL A 42 -2.915 5.002 -5.810 1.00 0.00 C ATOM 643 C VAL A 42 -3.741 5.305 -4.505 1.00 0.00 C ATOM 644 O VAL A 42 -3.908 6.463 -4.112 1.00 0.00 O ATOM 645 CB VAL A 42 -1.467 5.623 -5.851 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.373 7.163 -5.986 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.585 5.183 -4.663 1.00 0.00 C ATOM 0 H VAL A 42 -3.798 6.404 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.790 3.920 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.089 5.207 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.325 7.464 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.855 7.477 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.872 7.634 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.399 5.644 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.051 5.495 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.479 4.098 -4.671 1.00 0.00 H new ATOM 657 N VAL A 43 -4.218 4.262 -3.800 1.00 0.00 N ATOM 658 CA VAL A 43 -4.907 4.386 -2.474 1.00 0.00 C ATOM 659 C VAL A 43 -3.876 4.583 -1.307 1.00 0.00 C ATOM 660 O VAL A 43 -3.067 3.703 -1.006 1.00 0.00 O ATOM 661 CB VAL A 43 -5.864 3.157 -2.245 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.636 3.219 -0.902 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.924 2.919 -3.350 1.00 0.00 C ATOM 0 H VAL A 43 -4.142 3.298 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.526 5.283 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.153 2.331 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.276 2.342 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.926 3.239 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.249 4.120 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.529 2.049 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.566 3.796 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.424 2.744 -4.302 1.00 0.00 H new ATOM 673 N LEU A 44 -3.919 5.731 -0.619 1.00 0.00 N ATOM 674 CA LEU A 44 -3.024 6.022 0.542 1.00 0.00 C ATOM 675 C LEU A 44 -3.728 6.887 1.643 1.00 0.00 C ATOM 676 O LEU A 44 -4.903 7.251 1.526 1.00 0.00 O ATOM 677 CB LEU A 44 -1.649 6.521 0.002 1.00 0.00 C ATOM 678 CG LEU A 44 -1.545 7.840 -0.810 1.00 0.00 C ATOM 679 CD1 LEU A 44 -1.814 9.101 0.029 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.141 7.918 -1.434 1.00 0.00 C ATOM 0 H LEU A 44 -4.566 6.489 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.802 5.116 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.985 6.620 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.244 5.726 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.320 7.816 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.724 9.985 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.820 9.053 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.088 9.160 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.049 8.839 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.610 7.907 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.013 7.063 -2.092 1.00 0.00 H new ATOM 692 N GLY A 45 -3.042 7.199 2.758 1.00 0.00 N ATOM 693 CA GLY A 45 -3.637 8.017 3.857 1.00 0.00 C ATOM 694 C GLY A 45 -3.357 9.528 3.814 1.00 0.00 C ATOM 695 O GLY A 45 -2.351 9.990 3.277 1.00 0.00 O ATOM 0 H GLY A 45 -2.081 6.904 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.717 7.869 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.272 7.629 4.808 1.00 0.00 H new ATOM 699 N ARG A 46 -4.190 10.292 4.535 1.00 0.00 N ATOM 700 CA ARG A 46 -3.903 11.734 4.874 1.00 0.00 C ATOM 701 C ARG A 46 -2.562 12.106 5.635 1.00 0.00 C ATOM 702 O ARG A 46 -2.284 13.274 5.914 1.00 0.00 O ATOM 703 CB ARG A 46 -5.174 12.265 5.619 1.00 0.00 C ATOM 704 CG ARG A 46 -5.267 11.980 7.156 1.00 0.00 C ATOM 705 CD ARG A 46 -4.741 13.150 8.030 1.00 0.00 C ATOM 706 NE ARG A 46 -4.162 12.690 9.332 1.00 0.00 N ATOM 707 CZ ARG A 46 -2.888 12.832 9.726 1.00 0.00 C ATOM 708 NH1 ARG A 46 -1.948 13.378 9.008 1.00 0.00 N ATOM 709 NH2 ARG A 46 -2.543 12.381 10.896 1.00 0.00 N ATOM 0 H ARG A 46 -5.078 9.953 4.906 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.700 12.230 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.228 13.343 5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.053 11.833 5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.305 11.778 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.698 11.079 7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.981 13.699 7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.557 13.845 8.226 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.797 12.225 9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.160 13.734 8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.000 13.450 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.236 11.930 11.493 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.579 12.478 11.216 1.00 0.00 H new ATOM 723 N THR A 47 -1.781 11.100 6.015 1.00 0.00 N ATOM 724 CA THR A 47 -0.460 11.218 6.679 1.00 0.00 C ATOM 725 C THR A 47 0.684 11.315 5.622 1.00 0.00 C ATOM 726 O THR A 47 1.297 12.370 5.458 1.00 0.00 O ATOM 727 CB THR A 47 -0.335 10.024 7.683 1.00 0.00 C ATOM 728 OG1 THR A 47 -0.183 8.767 7.023 1.00 0.00 O ATOM 729 CG2 THR A 47 -1.483 9.802 8.679 1.00 0.00 C ATOM 0 H THR A 47 -2.053 10.128 5.867 1.00 0.00 H new ATOM 0 HA THR A 47 -0.368 12.141 7.251 1.00 0.00 H new ATOM 0 HB THR A 47 0.546 10.344 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.107 8.054 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.257 8.941 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.599 10.688 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.408 9.619 8.133 1.00 0.00 H new ATOM 737 N THR A 48 0.896 10.237 4.853 1.00 0.00 N ATOM 738 CA THR A 48 1.858 10.176 3.712 1.00 0.00 C ATOM 739 C THR A 48 1.593 11.140 2.497 1.00 0.00 C ATOM 740 O THR A 48 2.551 11.536 1.833 1.00 0.00 O ATOM 741 CB THR A 48 2.035 8.659 3.373 1.00 0.00 C ATOM 742 OG1 THR A 48 3.291 8.442 2.744 1.00 0.00 O ATOM 743 CG2 THR A 48 0.955 8.016 2.496 1.00 0.00 C ATOM 0 H THR A 48 0.399 9.358 4.999 1.00 0.00 H new ATOM 0 HA THR A 48 2.811 10.607 4.019 1.00 0.00 H new ATOM 0 HB THR A 48 1.955 8.174 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.393 7.490 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.195 6.965 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.012 8.096 2.993 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.913 8.529 1.535 1.00 0.00 H new ATOM 751 N PHE A 49 0.342 11.603 2.287 1.00 0.00 N ATOM 752 CA PHE A 49 0.016 12.836 1.498 1.00 0.00 C ATOM 753 C PHE A 49 0.864 14.136 1.763 1.00 0.00 C ATOM 754 O PHE A 49 1.080 14.908 0.831 1.00 0.00 O ATOM 755 CB PHE A 49 -1.505 13.102 1.722 1.00 0.00 C ATOM 756 CG PHE A 49 -2.131 14.160 0.788 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.046 15.524 1.094 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.716 13.770 -0.421 1.00 0.00 C ATOM 759 CE1 PHE A 49 -2.508 16.482 0.192 1.00 0.00 C ATOM 760 CE2 PHE A 49 -3.196 14.725 -1.313 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.076 16.079 -1.016 1.00 0.00 C ATOM 0 H PHE A 49 -0.485 11.136 2.659 1.00 0.00 H new ATOM 0 HA PHE A 49 0.286 12.621 0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.044 12.163 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.654 13.418 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.619 15.836 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.796 12.721 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.426 17.533 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.662 14.415 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.423 16.819 -1.722 1.00 0.00 H new ATOM 771 N GLU A 50 1.331 14.409 2.994 1.00 0.00 N ATOM 772 CA GLU A 50 2.335 15.491 3.253 1.00 0.00 C ATOM 773 C GLU A 50 3.714 15.322 2.516 1.00 0.00 C ATOM 774 O GLU A 50 4.237 16.289 1.958 1.00 0.00 O ATOM 775 CB GLU A 50 2.516 15.737 4.777 1.00 0.00 C ATOM 776 CG GLU A 50 1.229 16.078 5.587 1.00 0.00 C ATOM 777 CD GLU A 50 0.390 17.251 5.102 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.949 18.267 4.644 1.00 0.00 O ATOM 779 OE2 GLU A 50 -0.855 17.180 5.162 1.00 0.00 O ATOM 0 H GLU A 50 1.039 13.905 3.831 1.00 0.00 H new ATOM 0 HA GLU A 50 1.904 16.385 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.968 14.847 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.227 16.553 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.594 15.192 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.522 16.276 6.618 1.00 0.00 H new ATOM 786 N SER A 51 4.263 14.092 2.451 1.00 0.00 N ATOM 787 CA SER A 51 5.298 13.729 1.434 1.00 0.00 C ATOM 788 C SER A 51 4.828 13.553 -0.063 1.00 0.00 C ATOM 789 O SER A 51 5.695 13.535 -0.941 1.00 0.00 O ATOM 790 CB SER A 51 6.045 12.468 1.936 1.00 0.00 C ATOM 791 OG SER A 51 7.123 12.123 1.059 1.00 0.00 O ATOM 0 H SER A 51 4.015 13.330 3.082 1.00 0.00 H new ATOM 0 HA SER A 51 5.947 14.602 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.432 12.646 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.348 11.633 2.006 1.00 0.00 H new ATOM 0 HG SER A 51 6.981 12.542 0.185 1.00 0.00 H new ATOM 797 N MET A 52 3.525 13.437 -0.379 1.00 0.00 N ATOM 798 CA MET A 52 2.998 13.548 -1.783 1.00 0.00 C ATOM 799 C MET A 52 2.339 14.957 -2.096 1.00 0.00 C ATOM 800 O MET A 52 1.264 15.065 -2.696 1.00 0.00 O ATOM 801 CB MET A 52 2.061 12.343 -2.102 1.00 0.00 C ATOM 802 CG MET A 52 2.519 10.911 -1.742 1.00 0.00 C ATOM 803 SD MET A 52 4.202 10.567 -2.288 1.00 0.00 S ATOM 804 CE MET A 52 4.477 9.078 -1.306 1.00 0.00 C ATOM 0 H MET A 52 2.798 13.265 0.316 1.00 0.00 H new ATOM 0 HA MET A 52 3.849 13.495 -2.463 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.114 12.521 -1.593 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.856 12.362 -3.172 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.455 10.773 -0.663 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.839 10.190 -2.196 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.479 8.695 -1.498 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.377 9.317 -0.247 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.741 8.321 -1.579 1.00 0.00 H new ATOM 814 N ARG A 53 3.021 16.051 -1.701 1.00 0.00 N ATOM 815 CA ARG A 53 2.703 17.455 -2.119 1.00 0.00 C ATOM 816 C ARG A 53 3.421 17.899 -3.452 1.00 0.00 C ATOM 817 O ARG A 53 2.786 18.530 -4.299 1.00 0.00 O ATOM 818 CB ARG A 53 3.065 18.420 -0.942 1.00 0.00 C ATOM 819 CG ARG A 53 2.271 18.331 0.393 1.00 0.00 C ATOM 820 CD ARG A 53 0.893 19.019 0.396 1.00 0.00 C ATOM 821 NE ARG A 53 0.328 19.007 1.786 1.00 0.00 N ATOM 822 CZ ARG A 53 -0.724 19.699 2.203 1.00 0.00 C ATOM 823 NH1 ARG A 53 -1.421 20.487 1.444 1.00 0.00 N ATOM 824 NH2 ARG A 53 -1.083 19.594 3.439 1.00 0.00 N ATOM 0 H ARG A 53 3.823 15.996 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 53 1.637 17.501 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.118 18.267 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.966 19.440 -1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.132 17.279 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.878 18.769 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.987 20.045 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.217 18.505 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 53 0.795 18.413 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.170 20.603 0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.220 20.991 1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.561 18.988 4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.889 20.117 3.782 1.00 0.00 H new ATOM 838 N ASP A 54 4.726 17.601 -3.601 1.00 0.00 N ATOM 839 CA ASP A 54 5.576 18.007 -4.760 1.00 0.00 C ATOM 840 C ASP A 54 5.347 17.206 -6.103 1.00 0.00 C ATOM 841 O ASP A 54 5.247 17.806 -7.176 1.00 0.00 O ATOM 842 CB ASP A 54 7.055 17.896 -4.266 1.00 0.00 C ATOM 843 CG ASP A 54 7.502 18.834 -3.134 1.00 0.00 C ATOM 844 OD1 ASP A 54 7.134 18.580 -1.964 1.00 0.00 O ATOM 845 OD2 ASP A 54 8.233 19.811 -3.406 1.00 0.00 O ATOM 0 H ASP A 54 5.240 17.058 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 54 5.299 19.021 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.223 16.870 -3.938 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.708 18.068 -5.122 1.00 0.00 H new ATOM 850 N ASP A 55 5.291 15.862 -6.032 1.00 0.00 N ATOM 851 CA ASP A 55 5.009 14.948 -7.182 1.00 0.00 C ATOM 852 C ASP A 55 3.974 13.845 -6.727 1.00 0.00 C ATOM 853 O ASP A 55 3.974 13.381 -5.576 1.00 0.00 O ATOM 854 CB ASP A 55 6.393 14.434 -7.687 1.00 0.00 C ATOM 855 CG ASP A 55 6.445 13.370 -8.785 1.00 0.00 C ATOM 856 OD1 ASP A 55 5.530 13.311 -9.631 1.00 0.00 O ATOM 857 OD2 ASP A 55 7.430 12.594 -8.808 1.00 0.00 O ATOM 0 H ASP A 55 5.443 15.359 -5.158 1.00 0.00 H new ATOM 0 HA ASP A 55 4.523 15.430 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.953 15.299 -8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.930 14.040 -6.824 1.00 0.00 H new ATOM 862 N LEU A 56 3.069 13.433 -7.634 1.00 0.00 N ATOM 863 CA LEU A 56 2.071 12.359 -7.341 1.00 0.00 C ATOM 864 C LEU A 56 2.628 10.951 -7.779 1.00 0.00 C ATOM 865 O LEU A 56 2.923 10.795 -8.970 1.00 0.00 O ATOM 866 CB LEU A 56 0.679 12.630 -8.002 1.00 0.00 C ATOM 867 CG LEU A 56 -0.185 13.864 -7.603 1.00 0.00 C ATOM 868 CD1 LEU A 56 -0.105 14.252 -6.113 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.116 15.089 -8.486 1.00 0.00 C ATOM 0 H LEU A 56 2.999 13.819 -8.576 1.00 0.00 H new ATOM 0 HA LEU A 56 1.913 12.361 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.846 12.694 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.067 11.745 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.210 13.538 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.738 15.120 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.447 13.417 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.926 14.493 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.509 15.926 -8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.166 15.362 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.096 14.848 -9.528 1.00 0.00 H new ATOM 881 N PRO A 57 2.739 9.880 -6.924 1.00 0.00 N ATOM 882 CA PRO A 57 3.213 8.530 -7.377 1.00 0.00 C ATOM 883 C PRO A 57 2.632 7.841 -8.664 1.00 0.00 C ATOM 884 O PRO A 57 3.351 7.102 -9.335 1.00 0.00 O ATOM 885 CB PRO A 57 2.986 7.691 -6.106 1.00 0.00 C ATOM 886 CG PRO A 57 3.134 8.670 -4.937 1.00 0.00 C ATOM 887 CD PRO A 57 2.565 9.989 -5.462 1.00 0.00 C ATOM 0 HA PRO A 57 4.231 8.632 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.998 7.232 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.713 6.882 -6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.588 8.324 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.177 8.779 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.516 10.111 -5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.101 10.847 -5.057 1.00 0.00 H new ATOM 895 N GLY A 58 1.353 8.081 -8.970 1.00 0.00 N ATOM 896 CA GLY A 58 0.771 7.797 -10.313 1.00 0.00 C ATOM 897 C GLY A 58 -0.498 8.632 -10.627 1.00 0.00 C ATOM 898 O GLY A 58 -0.812 9.629 -9.964 1.00 0.00 O ATOM 0 H GLY A 58 0.685 8.475 -8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.524 7.995 -11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.524 6.737 -10.376 1.00 0.00 H new ATOM 902 N SER A 59 -1.231 8.231 -11.671 1.00 0.00 N ATOM 903 CA SER A 59 -2.251 9.116 -12.316 1.00 0.00 C ATOM 904 C SER A 59 -3.616 9.392 -11.596 1.00 0.00 C ATOM 905 O SER A 59 -4.398 10.188 -12.116 1.00 0.00 O ATOM 906 CB SER A 59 -2.433 8.675 -13.787 1.00 0.00 C ATOM 907 OG SER A 59 -3.188 7.470 -13.895 1.00 0.00 O ATOM 0 H SER A 59 -1.150 7.308 -12.097 1.00 0.00 H new ATOM 0 HA SER A 59 -1.815 10.111 -12.229 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.934 9.467 -14.344 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.455 8.532 -14.246 1.00 0.00 H new ATOM 0 HG SER A 59 -2.683 6.813 -14.418 1.00 0.00 H new ATOM 913 N ALA A 60 -3.913 8.852 -10.395 1.00 0.00 N ATOM 914 CA ALA A 60 -4.963 9.425 -9.508 1.00 0.00 C ATOM 915 C ALA A 60 -4.617 9.287 -7.993 1.00 0.00 C ATOM 916 O ALA A 60 -4.578 8.179 -7.450 1.00 0.00 O ATOM 917 CB ALA A 60 -6.334 8.825 -9.876 1.00 0.00 C ATOM 0 H ALA A 60 -3.449 8.027 -10.014 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.009 10.501 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.101 9.245 -9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.568 9.062 -10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.304 7.743 -9.749 1.00 0.00 H new ATOM 923 N GLN A 61 -4.409 10.415 -7.288 1.00 0.00 N ATOM 924 CA GLN A 61 -4.103 10.412 -5.828 1.00 0.00 C ATOM 925 C GLN A 61 -5.378 10.159 -4.951 1.00 0.00 C ATOM 926 O GLN A 61 -6.115 11.084 -4.584 1.00 0.00 O ATOM 927 CB GLN A 61 -3.351 11.747 -5.534 1.00 0.00 C ATOM 928 CG GLN A 61 -2.875 12.020 -4.071 1.00 0.00 C ATOM 929 CD GLN A 61 -1.735 11.222 -3.422 1.00 0.00 C ATOM 930 OE1 GLN A 61 -1.208 11.614 -2.394 1.00 0.00 O ATOM 931 NE2 GLN A 61 -1.337 10.087 -3.918 1.00 0.00 N ATOM 0 H GLN A 61 -4.446 11.348 -7.699 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.460 9.577 -5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.475 11.785 -6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.003 12.569 -5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.588 13.071 -4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.748 11.899 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.757 9.730 -4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.605 9.554 -3.448 1.00 0.00 H new ATOM 940 N ILE A 62 -5.631 8.879 -4.626 1.00 0.00 N ATOM 941 CA ILE A 62 -6.747 8.456 -3.737 1.00 0.00 C ATOM 942 C ILE A 62 -6.263 8.599 -2.242 1.00 0.00 C ATOM 943 O ILE A 62 -5.273 7.990 -1.832 1.00 0.00 O ATOM 944 CB ILE A 62 -7.312 7.035 -4.127 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.791 6.893 -5.608 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.458 6.613 -3.167 1.00 0.00 C ATOM 947 CD1 ILE A 62 -8.093 5.448 -6.070 1.00 0.00 C ATOM 0 H ILE A 62 -5.070 8.100 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.612 9.107 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.458 6.366 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.690 7.495 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.027 7.313 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.831 5.630 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.080 6.572 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.268 7.340 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.417 5.459 -7.111 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.193 4.841 -5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.882 5.025 -5.448 1.00 0.00 H new ATOM 959 N VAL A 63 -6.947 9.424 -1.430 1.00 0.00 N ATOM 960 CA VAL A 63 -6.441 9.857 -0.085 1.00 0.00 C ATOM 961 C VAL A 63 -7.518 9.647 1.038 1.00 0.00 C ATOM 962 O VAL A 63 -8.482 10.408 1.165 1.00 0.00 O ATOM 963 CB VAL A 63 -5.824 11.303 -0.153 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.740 12.421 -0.702 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.242 11.779 1.202 1.00 0.00 C ATOM 0 H VAL A 63 -7.858 9.814 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.616 9.208 0.208 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.030 11.158 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.200 13.368 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.040 12.178 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.627 12.506 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.832 12.783 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.032 11.792 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.452 11.098 1.518 1.00 0.00 H new ATOM 975 N MET A 64 -7.339 8.636 1.903 1.00 0.00 N ATOM 976 CA MET A 64 -8.311 8.308 2.985 1.00 0.00 C ATOM 977 C MET A 64 -8.208 9.271 4.224 1.00 0.00 C ATOM 978 O MET A 64 -7.119 9.529 4.753 1.00 0.00 O ATOM 979 CB MET A 64 -8.125 6.832 3.404 1.00 0.00 C ATOM 980 CG MET A 64 -8.454 5.756 2.349 1.00 0.00 C ATOM 981 SD MET A 64 -8.954 4.233 3.176 1.00 0.00 S ATOM 982 CE MET A 64 -10.710 4.572 3.367 1.00 0.00 C ATOM 0 H MET A 64 -6.526 8.021 1.882 1.00 0.00 H new ATOM 0 HA MET A 64 -9.315 8.455 2.586 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.089 6.696 3.714 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.747 6.648 4.280 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.252 6.106 1.695 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.584 5.571 1.719 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.234 3.649 3.613 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.856 5.297 4.168 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.106 4.976 2.435 1.00 0.00 H new ATOM 992 N SER A 65 -9.347 9.823 4.689 1.00 0.00 N ATOM 993 CA SER A 65 -9.361 10.975 5.641 1.00 0.00 C ATOM 994 C SER A 65 -10.592 10.968 6.619 1.00 0.00 C ATOM 995 O SER A 65 -11.745 10.998 6.184 1.00 0.00 O ATOM 996 CB SER A 65 -9.269 12.297 4.828 1.00 0.00 C ATOM 997 OG SER A 65 -10.465 12.567 4.090 1.00 0.00 O ATOM 0 H SER A 65 -10.276 9.495 4.425 1.00 0.00 H new ATOM 0 HA SER A 65 -8.493 10.884 6.294 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.070 13.125 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.426 12.239 4.140 1.00 0.00 H new ATOM 0 HG SER A 65 -11.226 12.132 4.529 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.289 17.894 -1.629 1.00 0.00 N ATOM 1089 CA PHE A 71 -7.972 18.535 -1.903 1.00 0.00 C ATOM 1090 C PHE A 71 -7.951 19.148 -3.340 1.00 0.00 C ATOM 1091 O PHE A 71 -8.294 18.478 -4.318 1.00 0.00 O ATOM 1092 CB PHE A 71 -6.839 17.496 -1.672 1.00 0.00 C ATOM 1093 CG PHE A 71 -6.642 17.011 -0.217 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -5.809 17.706 0.665 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -7.258 15.832 0.215 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -5.565 17.209 1.947 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -7.029 15.344 1.501 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.178 16.029 2.361 1.00 0.00 C ATOM 0 HA PHE A 71 -7.806 19.363 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.039 16.627 -2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.901 17.930 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.351 18.633 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.916 15.295 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.903 17.738 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.512 14.435 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.992 15.645 3.353 1.00 0.00 H new ATOM 1108 N SER A 72 -7.547 20.422 -3.459 1.00 0.00 N ATOM 1109 CA SER A 72 -7.337 21.080 -4.782 1.00 0.00 C ATOM 1110 C SER A 72 -6.009 20.625 -5.477 1.00 0.00 C ATOM 1111 O SER A 72 -4.933 21.184 -5.252 1.00 0.00 O ATOM 1112 CB SER A 72 -7.421 22.613 -4.564 1.00 0.00 C ATOM 1113 OG SER A 72 -8.725 23.027 -4.146 1.00 0.00 O ATOM 0 H SER A 72 -7.356 21.028 -2.661 1.00 0.00 H new ATOM 0 HA SER A 72 -8.117 20.773 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.689 22.913 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.158 23.125 -5.490 1.00 0.00 H new ATOM 0 HG SER A 72 -8.734 23.999 -4.018 1.00 0.00 H new ATOM 1119 N VAL A 73 -6.124 19.564 -6.283 1.00 0.00 N ATOM 1120 CA VAL A 73 -5.004 18.975 -7.089 1.00 0.00 C ATOM 1121 C VAL A 73 -5.587 18.553 -8.503 1.00 0.00 C ATOM 1122 O VAL A 73 -6.808 18.516 -8.708 1.00 0.00 O ATOM 1123 CB VAL A 73 -4.294 17.782 -6.326 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.908 17.423 -6.922 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -4.050 17.949 -4.802 1.00 0.00 C ATOM 0 H VAL A 73 -7.006 19.068 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.218 19.715 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.041 17.002 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.471 16.599 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.026 17.126 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.251 18.291 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.558 17.058 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.417 18.819 -4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.004 18.088 -4.294 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.725 18.195 -9.473 1.00 0.00 N ATOM 1136 CA ASP A 74 -5.114 17.808 -10.867 1.00 0.00 C ATOM 1137 C ASP A 74 -6.259 16.717 -10.997 1.00 0.00 C ATOM 1138 O ASP A 74 -7.375 17.051 -11.415 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.781 17.504 -11.627 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.884 18.720 -11.894 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -2.226 19.194 -10.943 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -2.859 19.217 -13.040 1.00 0.00 O ATOM 0 H ASP A 74 -3.717 18.162 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.633 18.637 -11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.212 16.774 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.025 17.037 -12.581 1.00 0.00 H new ATOM 1147 N THR A 75 -6.048 15.449 -10.581 1.00 0.00 N ATOM 1148 CA THR A 75 -7.145 14.415 -10.444 1.00 0.00 C ATOM 1149 C THR A 75 -7.072 13.590 -9.103 1.00 0.00 C ATOM 1150 O THR A 75 -7.107 12.352 -9.076 1.00 0.00 O ATOM 1151 CB THR A 75 -7.255 13.559 -11.746 1.00 0.00 C ATOM 1152 OG1 THR A 75 -8.320 12.620 -11.685 1.00 0.00 O ATOM 1153 CG2 THR A 75 -6.045 12.675 -12.066 1.00 0.00 C ATOM 0 H THR A 75 -5.125 15.096 -10.328 1.00 0.00 H new ATOM 0 HA THR A 75 -8.094 14.941 -10.345 1.00 0.00 H new ATOM 0 HB THR A 75 -7.380 14.337 -12.499 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.262 12.114 -10.848 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.230 12.126 -12.989 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.160 13.299 -12.186 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.884 11.970 -11.251 1.00 0.00 H new ATOM 1161 N ALA A 76 -7.060 14.289 -7.957 1.00 0.00 N ATOM 1162 CA ALA A 76 -7.090 13.647 -6.618 1.00 0.00 C ATOM 1163 C ALA A 76 -8.545 13.384 -6.094 1.00 0.00 C ATOM 1164 O ALA A 76 -9.493 14.116 -6.404 1.00 0.00 O ATOM 1165 CB ALA A 76 -6.266 14.568 -5.698 1.00 0.00 C ATOM 0 H ALA A 76 -7.030 15.308 -7.924 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.658 12.647 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.247 14.153 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.247 14.645 -6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.720 15.559 -5.673 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.745 12.309 -5.310 1.00 0.00 N ATOM 1172 CA HIS A 77 -10.098 11.914 -4.807 1.00 0.00 C ATOM 1173 C HIS A 77 -9.988 11.405 -3.329 1.00 0.00 C ATOM 1174 O HIS A 77 -9.253 10.454 -3.068 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.730 10.841 -5.752 1.00 0.00 C ATOM 1176 CG HIS A 77 -10.947 11.218 -7.231 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -11.769 12.251 -7.656 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.242 10.696 -8.337 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -11.447 12.311 -8.991 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -10.573 11.391 -9.498 1.00 0.00 N ATOM 0 H HIS A 77 -7.994 11.690 -5.004 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.759 12.781 -4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -10.096 9.955 -5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.696 10.556 -5.335 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.544 9.873 -8.290 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -11.877 13.071 -9.627 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.253 11.252 -10.457 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.693 12.004 -2.348 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.667 11.491 -0.937 1.00 0.00 C ATOM 1191 C ARG A 78 -11.631 10.277 -0.679 1.00 0.00 C ATOM 1192 O ARG A 78 -12.593 10.071 -1.425 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.815 12.690 0.061 1.00 0.00 C ATOM 1194 CG ARG A 78 -12.185 12.937 0.754 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.363 13.273 -0.187 1.00 0.00 C ATOM 1196 NE ARG A 78 -14.412 12.210 -0.112 1.00 0.00 N ATOM 1197 CZ ARG A 78 -15.709 12.411 0.065 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -16.260 13.587 0.038 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -16.472 11.397 0.293 1.00 0.00 N ATOM 0 H ARG A 78 -11.280 12.827 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.692 11.041 -0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.070 12.557 0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.552 13.600 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.446 12.048 1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.069 13.754 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.793 14.236 0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.003 13.365 -1.212 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.101 11.243 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.687 14.415 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.265 13.683 0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.074 10.459 0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.473 11.533 0.432 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.413 9.527 0.416 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.317 8.409 0.818 1.00 0.00 C ATOM 1215 C ALA A 79 -12.499 8.254 2.371 1.00 0.00 C ATOM 1216 O ALA A 79 -11.633 8.628 3.172 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.764 7.155 0.112 1.00 0.00 C ATOM 0 H ALA A 79 -10.622 9.666 1.045 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.342 8.606 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.382 6.293 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.778 7.309 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.740 6.975 0.439 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.650 7.710 2.792 1.00 0.00 N ATOM 1224 CA ALA A 80 -13.972 7.448 4.227 1.00 0.00 C ATOM 1225 C ALA A 80 -14.131 5.938 4.608 1.00 0.00 C ATOM 1226 O ALA A 80 -13.489 5.480 5.559 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.233 8.271 4.555 1.00 0.00 C ATOM 0 H ALA A 80 -14.396 7.433 2.154 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.122 7.756 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.510 8.113 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.030 9.329 4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.052 7.954 3.910 1.00 0.00 H new ATOM 1233 N SER A 81 -15.000 5.189 3.906 1.00 0.00 N ATOM 1234 CA SER A 81 -15.119 3.709 4.047 1.00 0.00 C ATOM 1235 C SER A 81 -14.180 2.901 3.078 1.00 0.00 C ATOM 1236 O SER A 81 -13.560 3.454 2.164 1.00 0.00 O ATOM 1237 CB SER A 81 -16.620 3.379 3.809 1.00 0.00 C ATOM 1238 OG SER A 81 -16.918 2.045 4.237 1.00 0.00 O ATOM 0 H SER A 81 -15.645 5.584 3.221 1.00 0.00 H new ATOM 0 HA SER A 81 -14.788 3.403 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.244 4.089 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.859 3.489 2.751 1.00 0.00 H new ATOM 0 HG SER A 81 -17.867 1.856 4.081 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.156 1.561 3.215 1.00 0.00 N ATOM 1245 CA VAL A 82 -13.754 0.631 2.096 1.00 0.00 C ATOM 1246 C VAL A 82 -14.484 0.930 0.723 1.00 0.00 C ATOM 1247 O VAL A 82 -13.815 1.136 -0.294 1.00 0.00 O ATOM 1248 CB VAL A 82 -13.914 -0.856 2.606 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -13.817 -1.962 1.521 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -12.900 -1.259 3.705 1.00 0.00 C ATOM 0 H VAL A 82 -14.406 1.081 4.080 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.707 0.803 1.847 1.00 0.00 H new ATOM 0 HB VAL A 82 -14.932 -0.817 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.941 -2.940 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.600 -1.812 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.842 -1.912 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.076 -2.293 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.886 -1.160 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.024 -0.608 4.570 1.00 0.00 H new ATOM 1260 N GLU A 83 -15.827 0.998 0.711 1.00 0.00 N ATOM 1261 CA GLU A 83 -16.652 1.176 -0.524 1.00 0.00 C ATOM 1262 C GLU A 83 -16.667 2.597 -1.208 1.00 0.00 C ATOM 1263 O GLU A 83 -16.788 2.674 -2.429 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.063 0.642 -0.167 1.00 0.00 C ATOM 1265 CG GLU A 83 -18.135 -0.909 0.039 1.00 0.00 C ATOM 1266 CD GLU A 83 -19.189 -1.471 0.978 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -19.522 -0.830 1.999 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -19.610 -2.621 0.740 1.00 0.00 O ATOM 0 H GLU A 83 -16.387 0.932 1.561 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.177 0.612 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.404 1.133 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.756 0.924 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.286 -1.366 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.161 -1.240 0.399 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.416 3.702 -0.470 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.979 5.004 -1.079 1.00 0.00 C ATOM 1277 C GLU A 84 -14.742 4.918 -2.048 1.00 0.00 C ATOM 1278 O GLU A 84 -14.789 5.487 -3.136 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.751 6.088 0.024 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.987 6.975 0.337 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.750 8.164 1.256 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -15.750 8.894 1.074 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -17.578 8.407 2.152 1.00 0.00 O ATOM 0 H GLU A 84 -16.505 3.730 0.546 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.809 5.299 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.438 5.591 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.929 6.733 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.389 7.346 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.755 6.345 0.785 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.660 4.216 -1.672 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.539 3.896 -2.598 1.00 0.00 C ATOM 1292 C ALA A 85 -12.738 2.733 -3.650 1.00 0.00 C ATOM 1293 O ALA A 85 -12.045 2.747 -4.676 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.302 3.743 -1.694 1.00 0.00 C ATOM 0 H ALA A 85 -13.529 3.853 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.440 4.712 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.432 3.506 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.126 4.676 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.472 2.939 -0.978 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.677 1.785 -3.469 1.00 0.00 N ATOM 1301 CA VAL A 86 -14.095 0.818 -4.541 1.00 0.00 C ATOM 1302 C VAL A 86 -14.907 1.489 -5.706 1.00 0.00 C ATOM 1303 O VAL A 86 -14.502 1.330 -6.861 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.754 -0.482 -3.950 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.155 -1.525 -5.023 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.823 -1.225 -2.961 1.00 0.00 C ATOM 0 H VAL A 86 -14.173 1.656 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.179 0.478 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.643 -0.101 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.602 -2.393 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.876 -1.082 -5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.269 -1.836 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.328 -2.114 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.907 -1.518 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.577 -0.566 -2.128 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.990 2.252 -5.448 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.755 2.978 -6.512 1.00 0.00 C ATOM 1318 C ASP A 87 -15.920 3.937 -7.444 1.00 0.00 C ATOM 1319 O ASP A 87 -16.067 3.894 -8.668 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.993 3.663 -5.856 1.00 0.00 C ATOM 1321 CG ASP A 87 -19.190 2.736 -5.630 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -20.018 2.590 -6.555 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -19.323 2.168 -4.528 1.00 0.00 O ATOM 0 H ASP A 87 -16.365 2.389 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.083 2.228 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.692 4.086 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.308 4.494 -6.487 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.989 4.766 -6.914 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.953 5.475 -7.739 1.00 0.00 C ATOM 1330 C ILE A 88 -12.891 4.562 -8.449 1.00 0.00 C ATOM 1331 O ILE A 88 -12.536 4.885 -9.577 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.234 6.682 -7.007 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.853 6.384 -5.541 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -14.087 7.973 -7.107 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.752 7.236 -4.883 1.00 0.00 C ATOM 0 H ILE A 88 -14.926 4.968 -5.916 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.577 5.888 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.292 6.834 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.755 6.483 -4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.544 5.340 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.574 8.789 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.231 8.234 -8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.057 7.806 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.601 6.905 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.823 7.124 -5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.052 8.284 -4.886 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.402 3.446 -7.876 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.603 2.449 -8.645 1.00 0.00 C ATOM 1349 C ALA A 89 -12.338 1.751 -9.857 1.00 0.00 C ATOM 1350 O ALA A 89 -11.778 1.681 -10.947 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.991 1.462 -7.627 1.00 0.00 C ATOM 0 H ALA A 89 -12.539 3.206 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.816 2.985 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.398 0.716 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.353 2.006 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.790 0.966 -7.075 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.604 1.317 -9.700 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.488 0.949 -10.844 1.00 0.00 C ATOM 1359 C ALA A 90 -14.923 2.104 -11.829 1.00 0.00 C ATOM 1360 O ALA A 90 -15.053 1.857 -13.030 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.673 0.170 -10.238 1.00 0.00 C ATOM 0 H ALA A 90 -14.048 1.209 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.906 0.339 -11.535 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.358 -0.127 -11.033 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.301 -0.719 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.199 0.805 -9.525 1.00 0.00 H new ATOM 1367 N SER A 91 -15.125 3.353 -11.364 1.00 0.00 N ATOM 1368 CA SER A 91 -15.330 4.544 -12.257 1.00 0.00 C ATOM 1369 C SER A 91 -14.078 5.077 -13.032 1.00 0.00 C ATOM 1370 O SER A 91 -14.223 5.633 -14.128 1.00 0.00 O ATOM 1371 CB SER A 91 -15.985 5.697 -11.457 1.00 0.00 C ATOM 1372 OG SER A 91 -17.184 5.277 -10.803 1.00 0.00 O ATOM 0 H SER A 91 -15.153 3.579 -10.370 1.00 0.00 H new ATOM 0 HA SER A 91 -15.985 4.171 -13.044 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.279 6.071 -10.716 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.209 6.524 -12.130 1.00 0.00 H new ATOM 0 HG SER A 91 -16.956 4.758 -10.004 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.865 4.939 -12.480 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.583 5.130 -13.228 1.00 0.00 C ATOM 1380 C LEU A 92 -11.139 3.944 -14.174 1.00 0.00 C ATOM 1381 O LEU A 92 -10.303 4.192 -15.054 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.499 5.510 -12.179 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.654 6.885 -11.454 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.904 6.894 -10.108 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -10.110 8.038 -12.311 1.00 0.00 C ATOM 0 H LEU A 92 -12.729 4.691 -11.500 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.736 5.929 -13.954 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.476 4.729 -11.419 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.529 5.499 -12.677 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.722 7.026 -11.285 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.031 7.864 -9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.306 6.114 -9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.844 6.711 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.234 8.979 -11.776 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.052 7.873 -12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.657 8.081 -13.253 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.667 2.710 -14.019 1.00 0.00 N ATOM 1398 CA ASP A 93 -11.457 1.543 -14.928 1.00 0.00 C ATOM 1399 C ASP A 93 -10.082 0.819 -14.743 1.00 0.00 C ATOM 1400 O ASP A 93 -10.051 -0.303 -14.232 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.905 1.829 -16.397 1.00 0.00 C ATOM 1402 CG ASP A 93 -12.595 0.694 -17.162 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.870 -0.384 -16.593 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -12.897 0.900 -18.357 1.00 0.00 O ATOM 0 H ASP A 93 -12.274 2.483 -13.232 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.152 0.771 -14.599 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.581 2.684 -16.382 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.024 2.130 -16.964 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.970 1.513 -15.085 1.00 0.00 N ATOM 1410 CA ALA A 94 -7.589 1.291 -14.541 1.00 0.00 C ATOM 1411 C ALA A 94 -7.105 -0.149 -14.156 1.00 0.00 C ATOM 1412 O ALA A 94 -7.669 -0.734 -13.225 1.00 0.00 O ATOM 1413 CB ALA A 94 -7.462 2.200 -13.302 1.00 0.00 C ATOM 0 H ALA A 94 -9.000 2.269 -15.769 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.938 1.514 -15.386 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.472 2.080 -12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.604 3.240 -13.597 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.220 1.924 -12.569 1.00 0.00 H new ATOM 1419 N GLU A 95 -6.070 -0.702 -14.810 1.00 0.00 N ATOM 1420 CA GLU A 95 -5.592 -2.118 -14.627 1.00 0.00 C ATOM 1421 C GLU A 95 -5.780 -2.787 -13.202 1.00 0.00 C ATOM 1422 O GLU A 95 -6.679 -3.623 -13.017 1.00 0.00 O ATOM 1423 CB GLU A 95 -4.130 -2.165 -15.172 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.942 -2.050 -16.718 1.00 0.00 C ATOM 1425 CD GLU A 95 -4.193 -3.302 -17.550 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -3.470 -4.303 -17.364 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -5.074 -3.270 -18.434 1.00 0.00 O ATOM 0 H GLU A 95 -5.521 -0.184 -15.496 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.257 -2.767 -15.196 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.568 -1.358 -14.702 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.677 -3.101 -14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.606 -1.266 -17.081 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.922 -1.717 -16.909 1.00 0.00 H new ATOM 1434 N THR A 96 -5.062 -2.298 -12.177 1.00 0.00 N ATOM 1435 CA THR A 96 -5.326 -2.632 -10.741 1.00 0.00 C ATOM 1436 C THR A 96 -5.018 -1.425 -9.783 1.00 0.00 C ATOM 1437 O THR A 96 -3.960 -0.798 -9.881 1.00 0.00 O ATOM 1438 CB THR A 96 -4.609 -3.957 -10.319 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.996 -4.311 -9.000 1.00 0.00 O ATOM 1440 CG2 THR A 96 -3.076 -3.952 -10.299 1.00 0.00 C ATOM 0 H THR A 96 -4.278 -1.658 -12.306 1.00 0.00 H new ATOM 0 HA THR A 96 -6.395 -2.818 -10.639 1.00 0.00 H new ATOM 0 HB THR A 96 -4.921 -4.653 -11.098 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.337 -4.930 -8.621 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.713 -4.932 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.700 -3.724 -11.296 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.724 -3.196 -9.597 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.919 -1.133 -8.822 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.656 -0.123 -7.758 1.00 0.00 C ATOM 1450 C ALA A 97 -4.918 -0.716 -6.507 1.00 0.00 C ATOM 1451 O ALA A 97 -4.926 -1.925 -6.252 1.00 0.00 O ATOM 1452 CB ALA A 97 -7.030 0.482 -7.409 1.00 0.00 C ATOM 0 H ALA A 97 -6.835 -1.577 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.967 0.642 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.909 1.235 -6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.460 0.945 -8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.694 -0.305 -7.053 1.00 0.00 H new ATOM 1458 N TYR A 98 -4.254 0.134 -5.706 1.00 0.00 N ATOM 1459 CA TYR A 98 -3.214 -0.354 -4.739 1.00 0.00 C ATOM 1460 C TYR A 98 -3.126 0.455 -3.406 1.00 0.00 C ATOM 1461 O TYR A 98 -3.055 1.684 -3.413 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.807 -0.547 -5.390 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.441 0.195 -6.682 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -1.313 1.579 -6.664 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -1.322 -0.490 -7.892 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -1.069 2.276 -7.841 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -1.051 0.206 -9.071 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.931 1.596 -9.039 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.620 2.306 -10.165 1.00 0.00 O ATOM 0 H TYR A 98 -4.402 1.143 -5.695 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.577 -1.342 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.065 -0.274 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.686 -1.613 -5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.404 2.115 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.440 -1.563 -7.916 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.987 3.353 -7.821 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.935 -0.328 -10.003 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.960 3.221 -10.079 1.00 0.00 H new ATOM 1479 N VAL A 99 -3.068 -0.260 -2.265 1.00 0.00 N ATOM 1480 CA VAL A 99 -3.092 0.344 -0.895 1.00 0.00 C ATOM 1481 C VAL A 99 -1.649 0.452 -0.302 1.00 0.00 C ATOM 1482 O VAL A 99 -1.047 -0.555 0.065 1.00 0.00 O ATOM 1483 CB VAL A 99 -4.086 -0.477 0.009 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -4.068 -0.149 1.520 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.560 -0.279 -0.410 1.00 0.00 C ATOM 0 H VAL A 99 -3.003 -1.278 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.460 1.369 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.720 -1.492 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.793 -0.777 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.072 -0.338 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.326 0.900 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.206 -0.866 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.823 0.776 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.692 -0.607 -1.441 1.00 0.00 H new ATOM 1495 N ILE A 100 -1.129 1.679 -0.131 1.00 0.00 N ATOM 1496 CA ILE A 100 0.214 1.923 0.508 1.00 0.00 C ATOM 1497 C ILE A 100 0.260 1.591 2.055 1.00 0.00 C ATOM 1498 O ILE A 100 1.091 0.811 2.516 1.00 0.00 O ATOM 1499 CB ILE A 100 0.675 3.408 0.220 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.683 3.904 -1.261 1.00 0.00 C ATOM 1501 CG2 ILE A 100 2.031 3.820 0.856 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.535 3.141 -2.293 1.00 0.00 C ATOM 0 H ILE A 100 -1.606 2.533 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 100 0.916 1.225 0.051 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.152 3.910 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.348 3.900 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.016 4.942 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.254 4.855 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.969 3.721 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.822 3.173 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.431 3.612 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.582 3.164 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.197 2.106 -2.351 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.578 2.285 2.849 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.296 2.552 4.289 1.00 0.00 C ATOM 1516 C GLY A 101 -0.438 4.058 4.703 1.00 0.00 C ATOM 1517 O GLY A 101 -0.727 4.939 3.881 1.00 0.00 O ATOM 0 H GLY A 101 -1.462 2.676 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.974 1.954 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.716 2.218 4.518 1.00 0.00 H new ATOM 1521 N GLY A 102 -0.250 4.504 5.947 1.00 0.00 N ATOM 1522 CA GLY A 102 0.163 3.633 7.089 1.00 0.00 C ATOM 1523 C GLY A 102 -0.952 2.803 7.776 1.00 0.00 C ATOM 1524 O GLY A 102 -2.002 2.510 7.198 1.00 0.00 O ATOM 0 H GLY A 102 -0.376 5.482 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.928 2.944 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.631 4.264 7.845 1.00 0.00 H new ATOM 1528 N ALA A 103 -0.703 2.389 9.028 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.478 1.297 9.679 1.00 0.00 C ATOM 1530 C ALA A 103 -3.025 1.457 9.870 1.00 0.00 C ATOM 1531 O ALA A 103 -3.738 0.477 9.649 1.00 0.00 O ATOM 1532 CB ALA A 103 -0.766 0.910 10.982 1.00 0.00 C ATOM 0 H ALA A 103 0.027 2.788 9.618 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.474 0.493 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.319 0.110 11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.244 0.568 10.757 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.717 1.777 11.641 1.00 0.00 H new ATOM 1538 N ALA A 104 -3.585 2.643 10.200 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.067 2.865 10.148 1.00 0.00 C ATOM 1540 C ALA A 104 -5.795 2.680 8.762 1.00 0.00 C ATOM 1541 O ALA A 104 -6.966 2.299 8.728 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.366 4.240 10.776 1.00 0.00 C ATOM 0 H ALA A 104 -3.050 3.457 10.502 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.502 2.045 10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.440 4.426 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.020 4.251 11.810 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.850 5.017 10.213 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.100 2.928 7.638 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.577 2.558 6.263 1.00 0.00 C ATOM 1550 C ILE A 105 -5.466 1.008 5.989 1.00 0.00 C ATOM 1551 O ILE A 105 -6.447 0.376 5.587 1.00 0.00 O ATOM 1552 CB ILE A 105 -4.880 3.444 5.160 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -4.738 4.968 5.458 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.541 3.257 3.768 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -5.986 5.688 6.020 1.00 0.00 C ATOM 0 H ILE A 105 -4.190 3.390 7.640 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.642 2.782 6.208 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.861 3.057 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.921 5.101 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.444 5.469 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.032 3.884 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.464 2.212 3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.591 3.543 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.756 6.741 6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.807 5.602 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.276 5.229 6.965 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.283 0.410 6.230 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.045 -1.064 6.136 1.00 0.00 C ATOM 1569 C TYR A 106 -5.000 -1.997 6.987 1.00 0.00 C ATOM 1570 O TYR A 106 -5.426 -3.035 6.481 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.518 -1.296 6.403 1.00 0.00 C ATOM 1572 CG TYR A 106 -1.784 -2.173 5.371 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.253 -1.613 4.201 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.597 -3.530 5.620 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -0.585 -2.419 3.275 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -0.943 -4.342 4.693 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.431 -3.779 3.525 1.00 0.00 C ATOM 1578 OH TYR A 106 0.249 -4.569 2.633 1.00 0.00 O ATOM 0 H TYR A 106 -3.450 0.933 6.499 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.321 -1.387 5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.024 -0.325 6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.405 -1.753 7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.360 -0.555 4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.962 -3.959 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.189 -1.987 2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.834 -5.400 4.879 1.00 0.00 H new ATOM 0 HH TYR A 106 0.922 -5.098 3.111 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.388 -1.619 8.225 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.444 -2.312 9.025 1.00 0.00 C ATOM 1590 C ALA A 107 -7.846 -2.461 8.348 1.00 0.00 C ATOM 1591 O ALA A 107 -8.282 -3.579 8.070 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.532 -1.553 10.371 1.00 0.00 C ATOM 0 H ALA A 107 -4.979 -0.819 8.708 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.145 -3.353 9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.291 -2.016 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.567 -1.594 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.800 -0.513 10.185 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.544 -1.348 8.055 1.00 0.00 N ATOM 1599 CA LEU A 108 -9.870 -1.385 7.375 1.00 0.00 C ATOM 1600 C LEU A 108 -9.935 -2.056 5.961 1.00 0.00 C ATOM 1601 O LEU A 108 -10.918 -2.742 5.665 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.525 0.029 7.468 1.00 0.00 C ATOM 1603 CG LEU A 108 -9.890 1.224 6.700 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -10.373 1.341 5.244 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -10.240 2.550 7.393 1.00 0.00 C ATOM 0 H LEU A 108 -8.219 -0.407 8.275 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.480 -2.100 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.556 -0.066 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.562 0.302 8.523 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.817 1.031 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.891 2.195 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.117 0.431 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.454 1.480 5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.789 3.377 6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.323 2.675 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.857 2.539 8.413 1.00 0.00 H new ATOM 1617 N PHE A 109 -8.905 -1.877 5.117 1.00 0.00 N ATOM 1618 CA PHE A 109 -8.827 -2.516 3.780 1.00 0.00 C ATOM 1619 C PHE A 109 -8.430 -4.022 3.706 1.00 0.00 C ATOM 1620 O PHE A 109 -8.905 -4.673 2.773 1.00 0.00 O ATOM 1621 CB PHE A 109 -7.954 -1.622 2.844 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.762 -0.810 1.828 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.358 -1.469 0.744 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -8.920 0.571 1.957 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.128 -0.767 -0.167 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.679 1.280 1.029 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.286 0.604 -0.028 1.00 0.00 C ATOM 0 H PHE A 109 -8.102 -1.288 5.336 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.860 -2.567 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.367 -0.938 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.248 -2.256 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.215 -2.532 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.452 1.092 2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.605 -1.286 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.797 2.349 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.883 1.151 -0.743 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.580 -4.590 4.592 1.00 0.00 N ATOM 1638 CA GLN A 110 -7.113 -6.011 4.474 1.00 0.00 C ATOM 1639 C GLN A 110 -8.189 -7.168 4.349 1.00 0.00 C ATOM 1640 O GLN A 110 -7.965 -8.035 3.499 1.00 0.00 O ATOM 1641 CB GLN A 110 -5.868 -6.269 5.361 1.00 0.00 C ATOM 1642 CG GLN A 110 -5.972 -6.237 6.913 1.00 0.00 C ATOM 1643 CD GLN A 110 -4.675 -6.315 7.743 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -4.659 -6.698 8.903 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -3.542 -5.894 7.248 1.00 0.00 N ATOM 0 H GLN A 110 -7.198 -4.096 5.399 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.775 -6.102 3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.478 -7.249 5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.115 -5.535 5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -6.488 -5.318 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -6.611 -7.066 7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.498 -5.563 6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.701 -5.896 7.825 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.417 -7.152 4.954 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.566 -7.980 4.459 1.00 0.00 C ATOM 1656 C PRO A 111 -11.116 -7.803 2.992 1.00 0.00 C ATOM 1657 O PRO A 111 -11.906 -8.637 2.540 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.644 -7.676 5.520 1.00 0.00 C ATOM 1659 CG PRO A 111 -10.851 -7.315 6.780 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.682 -6.486 6.246 1.00 0.00 C ATOM 0 HA PRO A 111 -10.229 -9.011 4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.288 -6.854 5.207 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -12.288 -8.539 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.457 -6.746 7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.504 -8.206 7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.947 -5.436 6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.818 -6.519 6.910 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.719 -6.761 2.248 1.00 0.00 N ATOM 1669 CA HIS A 112 -11.058 -6.575 0.803 1.00 0.00 C ATOM 1670 C HIS A 112 -9.846 -6.552 -0.210 1.00 0.00 C ATOM 1671 O HIS A 112 -10.134 -6.472 -1.403 1.00 0.00 O ATOM 1672 CB HIS A 112 -11.976 -5.309 0.703 1.00 0.00 C ATOM 1673 CG HIS A 112 -12.943 -5.242 -0.493 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.318 -5.389 -0.357 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -12.636 -4.941 -1.841 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -14.738 -5.164 -1.645 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -13.795 -4.900 -2.604 1.00 0.00 N ATOM 0 H HIS A 112 -10.145 -6.006 2.624 1.00 0.00 H new ATOM 0 HA HIS A 112 -11.581 -7.471 0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.564 -5.243 1.619 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.336 -4.427 0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -11.641 -4.768 -2.222 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -15.788 -5.194 -1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -13.912 -4.723 -3.602 1.00 0.00 H new ATOM 1686 N LEU A 113 -8.544 -6.629 0.146 1.00 0.00 N ATOM 1687 CA LEU A 113 -7.473 -6.843 -0.885 1.00 0.00 C ATOM 1688 C LEU A 113 -7.332 -8.347 -1.245 1.00 0.00 C ATOM 1689 O LEU A 113 -6.899 -9.160 -0.427 1.00 0.00 O ATOM 1690 CB LEU A 113 -6.067 -6.300 -0.523 1.00 0.00 C ATOM 1691 CG LEU A 113 -5.800 -4.791 -0.297 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -6.681 -3.840 -1.103 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -5.815 -4.458 1.192 1.00 0.00 C ATOM 0 H LEU A 113 -8.204 -6.551 1.105 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.824 -6.256 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.757 -6.813 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.392 -6.623 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.800 -4.616 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.412 -2.810 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.534 -4.022 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -7.727 -4.008 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.625 -3.393 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.789 -4.710 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.041 -5.033 1.701 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.627 -8.682 -2.499 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.444 -10.063 -3.024 1.00 0.00 C ATOM 1707 C ASP A 114 -5.963 -10.445 -3.416 1.00 0.00 C ATOM 1708 O ASP A 114 -5.623 -11.630 -3.403 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.558 -10.307 -4.078 1.00 0.00 C ATOM 1710 CG ASP A 114 -9.973 -10.284 -3.481 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.381 -11.291 -2.868 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.643 -9.230 -3.511 1.00 0.00 O ATOM 0 H ASP A 114 -7.996 -8.024 -3.185 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.579 -10.795 -2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.486 -9.546 -4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.389 -11.271 -4.559 1.00 0.00 H new ATOM 1717 N ARG A 115 -5.057 -9.471 -3.653 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.582 -9.695 -3.666 1.00 0.00 C ATOM 1719 C ARG A 115 -2.768 -8.882 -2.581 1.00 0.00 C ATOM 1720 O ARG A 115 -3.213 -7.883 -1.998 1.00 0.00 O ATOM 1721 CB ARG A 115 -3.053 -9.352 -5.085 1.00 0.00 C ATOM 1722 CG ARG A 115 -3.421 -10.310 -6.226 1.00 0.00 C ATOM 1723 CD ARG A 115 -2.649 -9.941 -7.515 1.00 0.00 C ATOM 1724 NE ARG A 115 -2.673 -11.101 -8.433 1.00 0.00 N ATOM 1725 CZ ARG A 115 -1.819 -12.116 -8.380 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -0.607 -12.054 -7.904 1.00 0.00 N ATOM 1727 NH2 ARG A 115 -2.214 -13.252 -8.829 1.00 0.00 N ATOM 0 H ARG A 115 -5.321 -8.504 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.424 -10.742 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.416 -8.359 -5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.966 -9.291 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -3.189 -11.335 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.494 -10.267 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.104 -9.073 -7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.621 -9.671 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.394 -11.122 -9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.249 -11.174 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.017 -12.886 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.155 -13.351 -9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.587 -14.056 -8.805 1.00 0.00 H new ATOM 1741 N MET A 116 -1.498 -9.283 -2.371 1.00 0.00 N ATOM 1742 CA MET A 116 -0.486 -8.502 -1.592 1.00 0.00 C ATOM 1743 C MET A 116 0.845 -8.372 -2.420 1.00 0.00 C ATOM 1744 O MET A 116 1.377 -9.374 -2.895 1.00 0.00 O ATOM 1745 CB MET A 116 -0.263 -9.206 -0.217 1.00 0.00 C ATOM 1746 CG MET A 116 -0.391 -8.344 1.041 1.00 0.00 C ATOM 1747 SD MET A 116 -0.036 -9.388 2.465 1.00 0.00 S ATOM 1748 CE MET A 116 -0.184 -8.195 3.807 1.00 0.00 C ATOM 0 H MET A 116 -1.132 -10.163 -2.735 1.00 0.00 H new ATOM 0 HA MET A 116 -0.842 -7.489 -1.403 1.00 0.00 H new ATOM 0 HB2 MET A 116 -0.977 -10.026 -0.138 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.733 -9.649 -0.222 1.00 0.00 H new ATOM 0 HG2 MET A 116 0.303 -7.505 1.001 1.00 0.00 H new ATOM 0 HG3 MET A 116 -1.394 -7.925 1.116 1.00 0.00 H new ATOM 0 HE1 MET A 116 0.009 -8.691 4.758 1.00 0.00 H new ATOM 0 HE2 MET A 116 0.540 -7.393 3.663 1.00 0.00 H new ATOM 0 HE3 MET A 116 -1.191 -7.777 3.813 1.00 0.00 H new ATOM 1758 N VAL A 117 1.392 -7.157 -2.583 1.00 0.00 N ATOM 1759 CA VAL A 117 2.772 -6.912 -3.135 1.00 0.00 C ATOM 1760 C VAL A 117 3.678 -6.131 -2.110 1.00 0.00 C ATOM 1761 O VAL A 117 4.197 -5.049 -2.419 1.00 0.00 O ATOM 1762 CB VAL A 117 2.726 -6.185 -4.536 1.00 0.00 C ATOM 1763 CG1 VAL A 117 2.230 -7.074 -5.678 1.00 0.00 C ATOM 1764 CG2 VAL A 117 1.998 -4.821 -4.588 1.00 0.00 C ATOM 0 H VAL A 117 0.900 -6.297 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 117 3.228 -7.889 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 117 3.783 -5.964 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.226 -6.504 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.891 -7.935 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.219 -7.417 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.037 -4.426 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.958 -4.952 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.486 -4.122 -3.908 1.00 0.00 H new ATOM 1774 N LEU A 118 3.901 -6.655 -0.887 1.00 0.00 N ATOM 1775 CA LEU A 118 4.754 -5.976 0.132 1.00 0.00 C ATOM 1776 C LEU A 118 6.281 -6.320 -0.022 1.00 0.00 C ATOM 1777 O LEU A 118 6.676 -7.481 -0.197 1.00 0.00 O ATOM 1778 CB LEU A 118 4.123 -6.074 1.558 1.00 0.00 C ATOM 1779 CG LEU A 118 4.128 -7.350 2.435 1.00 0.00 C ATOM 1780 CD1 LEU A 118 3.415 -8.547 1.799 1.00 0.00 C ATOM 1781 CD2 LEU A 118 5.529 -7.744 2.917 1.00 0.00 C ATOM 0 H LEU A 118 3.507 -7.542 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 118 4.761 -4.903 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.602 -5.297 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.077 -5.790 1.445 1.00 0.00 H new ATOM 0 HG LEU A 118 3.544 -7.068 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.463 -9.400 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.372 -8.291 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.902 -8.802 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.464 -8.645 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.170 -7.933 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.950 -6.934 3.512 1.00 0.00 H new ATOM 1793 N SER A 119 7.144 -5.287 0.032 1.00 0.00 N ATOM 1794 CA SER A 119 8.618 -5.455 0.045 1.00 0.00 C ATOM 1795 C SER A 119 9.152 -5.857 1.466 1.00 0.00 C ATOM 1796 O SER A 119 9.255 -5.035 2.384 1.00 0.00 O ATOM 1797 CB SER A 119 9.276 -4.178 -0.558 1.00 0.00 C ATOM 1798 OG SER A 119 9.001 -2.969 0.163 1.00 0.00 O ATOM 0 H SER A 119 6.844 -4.313 0.068 1.00 0.00 H new ATOM 0 HA SER A 119 8.905 -6.295 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.355 -4.325 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.933 -4.059 -1.586 1.00 0.00 H new ATOM 0 HG SER A 119 9.450 -2.217 -0.277 1.00 0.00 H new ATOM 1804 N ARG A 120 9.510 -7.143 1.653 1.00 0.00 N ATOM 1805 CA ARG A 120 10.218 -7.627 2.876 1.00 0.00 C ATOM 1806 C ARG A 120 11.706 -7.138 2.887 1.00 0.00 C ATOM 1807 O ARG A 120 12.549 -7.711 2.194 1.00 0.00 O ATOM 1808 CB ARG A 120 10.040 -9.175 2.984 1.00 0.00 C ATOM 1809 CG ARG A 120 10.771 -9.866 4.172 1.00 0.00 C ATOM 1810 CD ARG A 120 10.524 -11.399 4.289 1.00 0.00 C ATOM 1811 NE ARG A 120 10.455 -11.885 5.707 1.00 0.00 N ATOM 1812 CZ ARG A 120 11.433 -11.809 6.603 1.00 0.00 C ATOM 1813 NH1 ARG A 120 12.642 -11.441 6.317 1.00 0.00 N ATOM 1814 NH2 ARG A 120 11.164 -12.076 7.836 1.00 0.00 N ATOM 0 H ARG A 120 9.322 -7.878 0.971 1.00 0.00 H new ATOM 0 HA ARG A 120 9.779 -7.197 3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.975 -9.393 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 120 10.391 -9.626 2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 120 11.842 -9.692 4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.456 -9.390 5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.592 -11.649 3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 120 11.322 -11.929 3.770 1.00 0.00 H new ATOM 0 HE ARG A 120 9.579 -12.312 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.885 -11.190 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.350 -11.402 7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.216 -12.339 8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.899 -12.024 8.541 1.00 0.00 H new ATOM 1828 N VAL A 121 12.015 -6.078 3.648 1.00 0.00 N ATOM 1829 CA VAL A 121 13.384 -5.479 3.700 1.00 0.00 C ATOM 1830 C VAL A 121 14.154 -6.087 4.938 1.00 0.00 C ATOM 1831 O VAL A 121 13.796 -5.747 6.072 1.00 0.00 O ATOM 1832 CB VAL A 121 13.382 -3.907 3.706 1.00 0.00 C ATOM 1833 CG1 VAL A 121 14.742 -3.340 3.238 1.00 0.00 C ATOM 1834 CG2 VAL A 121 12.290 -3.211 2.849 1.00 0.00 C ATOM 0 H VAL A 121 11.338 -5.604 4.246 1.00 0.00 H new ATOM 0 HA VAL A 121 13.908 -5.741 2.781 1.00 0.00 H new ATOM 0 HB VAL A 121 13.166 -3.682 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 121 14.707 -2.251 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.530 -3.687 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 121 14.949 -3.682 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 121 12.394 -2.129 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 121 12.405 -3.504 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.304 -3.511 3.203 1.00 0.00 H new ATOM 1844 N PRO A 122 15.158 -7.007 4.810 1.00 0.00 N ATOM 1845 CA PRO A 122 15.769 -7.683 5.992 1.00 0.00 C ATOM 1846 C PRO A 122 16.877 -6.849 6.729 1.00 0.00 C ATOM 1847 O PRO A 122 17.707 -6.192 6.089 1.00 0.00 O ATOM 1848 CB PRO A 122 16.313 -8.963 5.319 1.00 0.00 C ATOM 1849 CG PRO A 122 16.719 -8.540 3.902 1.00 0.00 C ATOM 1850 CD PRO A 122 15.656 -7.515 3.513 1.00 0.00 C ATOM 0 HA PRO A 122 15.069 -7.851 6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.165 -9.363 5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.554 -9.745 5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 122 17.719 -8.107 3.884 1.00 0.00 H new ATOM 0 HG3 PRO A 122 16.727 -9.388 3.218 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.077 -6.714 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 122 14.856 -7.971 2.929 1.00 0.00 H new ATOM 1935 N THR A 129 4.214 2.683 13.981 1.00 0.00 N ATOM 1936 CA THR A 129 2.899 1.993 13.837 1.00 0.00 C ATOM 1937 C THR A 129 3.031 0.473 13.492 1.00 0.00 C ATOM 1938 O THR A 129 3.691 0.068 12.530 1.00 0.00 O ATOM 1939 CB THR A 129 1.996 2.692 12.774 1.00 0.00 C ATOM 1940 OG1 THR A 129 2.722 2.960 11.583 1.00 0.00 O ATOM 1941 CG2 THR A 129 1.307 3.993 13.215 1.00 0.00 C ATOM 0 HA THR A 129 2.428 2.067 14.817 1.00 0.00 H new ATOM 0 HB THR A 129 1.201 1.964 12.613 1.00 0.00 H new ATOM 0 HG1 THR A 129 3.653 3.169 11.807 1.00 0.00 H new ATOM 0 HG21 THR A 129 0.708 4.384 12.393 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.662 3.791 14.070 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.062 4.727 13.496 1.00 0.00 H new ATOM 1949 N TYR A 130 2.336 -0.348 14.279 1.00 0.00 N ATOM 1950 CA TYR A 130 2.400 -1.834 14.185 1.00 0.00 C ATOM 1951 C TYR A 130 1.471 -2.448 13.072 1.00 0.00 C ATOM 1952 O TYR A 130 0.659 -1.755 12.450 1.00 0.00 O ATOM 1953 CB TYR A 130 2.037 -2.374 15.609 1.00 0.00 C ATOM 1954 CG TYR A 130 2.862 -1.864 16.809 1.00 0.00 C ATOM 1955 CD1 TYR A 130 4.180 -2.287 17.014 1.00 0.00 C ATOM 1956 CD2 TYR A 130 2.313 -0.893 17.654 1.00 0.00 C ATOM 1957 CE1 TYR A 130 4.939 -1.738 18.046 1.00 0.00 C ATOM 1958 CE2 TYR A 130 3.076 -0.338 18.676 1.00 0.00 C ATOM 1959 CZ TYR A 130 4.389 -0.757 18.866 1.00 0.00 C ATOM 1960 OH TYR A 130 5.166 -0.131 19.802 1.00 0.00 O ATOM 0 H TYR A 130 1.705 -0.014 15.008 1.00 0.00 H new ATOM 0 HA TYR A 130 3.401 -2.137 13.878 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.990 -2.138 15.799 1.00 0.00 H new ATOM 0 HB3 TYR A 130 2.119 -3.461 15.585 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.610 -3.041 16.371 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.291 -0.573 17.512 1.00 0.00 H new ATOM 0 HE1 TYR A 130 5.953 -2.073 18.209 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.650 0.417 19.321 1.00 0.00 H new ATOM 0 HH TYR A 130 4.626 0.527 20.288 1.00 0.00 H new ATOM 1970 N TYR A 131 1.543 -3.773 12.856 1.00 0.00 N ATOM 1971 CA TYR A 131 0.462 -4.519 12.146 1.00 0.00 C ATOM 1972 C TYR A 131 -0.907 -4.596 12.930 1.00 0.00 C ATOM 1973 O TYR A 131 -0.863 -4.733 14.159 1.00 0.00 O ATOM 1974 CB TYR A 131 0.938 -5.965 11.796 1.00 0.00 C ATOM 1975 CG TYR A 131 1.457 -6.158 10.368 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.607 -5.993 9.270 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.785 -6.540 10.153 1.00 0.00 C ATOM 1978 CE1 TYR A 131 1.081 -6.159 7.974 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.252 -6.731 8.858 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.411 -6.531 7.769 1.00 0.00 C ATOM 1981 OH TYR A 131 2.878 -6.685 6.493 1.00 0.00 O ATOM 0 H TYR A 131 2.326 -4.354 13.155 1.00 0.00 H new ATOM 0 HA TYR A 131 0.266 -3.944 11.241 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.727 -6.248 12.493 1.00 0.00 H new ATOM 0 HB3 TYR A 131 0.108 -6.652 11.959 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.429 -5.734 9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.448 -6.687 10.993 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.425 -6.001 7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.275 -7.037 8.696 1.00 0.00 H new ATOM 0 HH TYR A 131 2.391 -6.084 5.892 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.115 -4.596 12.289 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.410 -4.812 12.997 1.00 0.00 C ATOM 1993 C PRO A 132 -3.712 -6.340 13.237 1.00 0.00 C ATOM 1994 O PRO A 132 -3.067 -6.959 14.091 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.370 -3.957 12.121 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.497 -3.238 11.087 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.332 -4.183 10.892 1.00 0.00 C ATOM 0 HA PRO A 132 -3.480 -4.489 14.036 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.112 -4.588 11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.917 -3.239 12.733 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.036 -3.068 10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.168 -2.263 11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.578 -5.022 10.241 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.461 -3.690 10.461 1.00 0.00 H new ATOM 2005 N GLU A 133 -4.632 -6.950 12.480 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.024 -8.381 12.620 1.00 0.00 C ATOM 2007 C GLU A 133 -4.814 -9.197 11.289 1.00 0.00 C ATOM 2008 O GLU A 133 -5.757 -9.725 10.697 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.468 -8.405 13.223 1.00 0.00 C ATOM 2010 CG GLU A 133 -7.624 -7.691 12.450 1.00 0.00 C ATOM 2011 CD GLU A 133 -7.867 -6.221 12.775 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.535 -5.932 13.790 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -7.413 -5.344 12.011 1.00 0.00 O ATOM 0 H GLU A 133 -5.140 -6.467 11.739 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.368 -8.913 13.310 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -6.754 -9.449 13.351 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.416 -7.964 14.218 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -7.419 -7.773 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -8.548 -8.238 12.640 1.00 0.00 H new ATOM 2020 N TRP A 134 -3.544 -9.336 10.843 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.209 -9.960 9.527 1.00 0.00 C ATOM 2022 C TRP A 134 -3.138 -11.537 9.523 1.00 0.00 C ATOM 2023 O TRP A 134 -2.700 -12.151 10.508 1.00 0.00 O ATOM 2024 CB TRP A 134 -1.948 -9.232 8.940 1.00 0.00 C ATOM 2025 CG TRP A 134 -0.551 -9.870 9.104 1.00 0.00 C ATOM 2026 CD1 TRP A 134 0.137 -10.547 8.071 1.00 0.00 C ATOM 2027 CD2 TRP A 134 0.268 -9.985 10.219 1.00 0.00 C ATOM 2028 NE1 TRP A 134 1.374 -11.060 8.504 1.00 0.00 N ATOM 2029 CE2 TRP A 134 1.420 -10.718 9.843 1.00 0.00 C ATOM 2030 CE3 TRP A 134 0.083 -9.585 11.568 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 2.397 -11.051 10.808 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 1.066 -9.917 12.503 1.00 0.00 C ATOM 2033 CH2 TRP A 134 2.209 -10.637 12.128 1.00 0.00 C ATOM 0 H TRP A 134 -2.728 -9.026 11.371 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.048 -9.802 8.849 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -2.119 -9.093 7.873 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -1.907 -8.239 9.388 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -0.243 -10.658 7.066 1.00 0.00 H new ATOM 0 HE1 TRP A 134 2.072 -11.565 7.958 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -0.798 -9.036 11.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 3.274 -11.616 10.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.944 -9.614 13.532 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.955 -10.875 12.871 1.00 0.00 H new ATOM 2044 N ASP A 135 -3.531 -12.174 8.414 1.00 0.00 N ATOM 2045 CA ASP A 135 -3.798 -13.642 8.373 1.00 0.00 C ATOM 2046 C ASP A 135 -2.519 -14.532 8.168 1.00 0.00 C ATOM 2047 O ASP A 135 -2.006 -14.683 7.054 1.00 0.00 O ATOM 2048 CB ASP A 135 -4.872 -13.934 7.281 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.184 -13.155 7.340 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -6.217 -12.012 6.833 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -7.173 -13.673 7.893 1.00 0.00 O ATOM 0 H ASP A 135 -3.676 -11.704 7.520 1.00 0.00 H new ATOM 0 HA ASP A 135 -4.171 -13.924 9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -4.417 -13.749 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -5.112 -14.996 7.324 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.008 -15.163 9.246 1.00 0.00 N ATOM 2057 CA ALA A 136 -0.815 -16.077 9.155 1.00 0.00 C ATOM 2058 C ALA A 136 -0.986 -17.556 8.641 1.00 0.00 C ATOM 2059 O ALA A 136 0.019 -18.250 8.466 1.00 0.00 O ATOM 2060 CB ALA A 136 -0.163 -16.049 10.551 1.00 0.00 C ATOM 0 H ALA A 136 -2.388 -15.068 10.188 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.208 -15.678 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.715 -16.695 10.556 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.136 -15.029 10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.878 -16.403 11.294 1.00 0.00 H new ATOM 2066 N ALA A 137 -2.211 -18.055 8.418 1.00 0.00 N ATOM 2067 CA ALA A 137 -2.464 -19.232 7.534 1.00 0.00 C ATOM 2068 C ALA A 137 -3.365 -18.939 6.279 1.00 0.00 C ATOM 2069 O ALA A 137 -3.156 -19.567 5.238 1.00 0.00 O ATOM 2070 CB ALA A 137 -3.007 -20.403 8.388 1.00 0.00 C ATOM 0 H ALA A 137 -3.057 -17.667 8.836 1.00 0.00 H new ATOM 0 HA ALA A 137 -1.505 -19.509 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.193 -21.265 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -2.274 -20.669 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -3.937 -20.101 8.870 1.00 0.00 H new ATOM 2076 N GLU A 138 -4.343 -18.014 6.345 1.00 0.00 N ATOM 2077 CA GLU A 138 -5.299 -17.723 5.225 1.00 0.00 C ATOM 2078 C GLU A 138 -4.860 -16.600 4.188 1.00 0.00 C ATOM 2079 O GLU A 138 -5.661 -16.133 3.377 1.00 0.00 O ATOM 2080 CB GLU A 138 -6.686 -17.459 5.896 1.00 0.00 C ATOM 2081 CG GLU A 138 -7.288 -18.600 6.787 1.00 0.00 C ATOM 2082 CD GLU A 138 -8.424 -19.478 6.282 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -8.443 -19.882 5.103 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -9.285 -19.838 7.112 1.00 0.00 O ATOM 0 H GLU A 138 -4.504 -17.439 7.172 1.00 0.00 H new ATOM 0 HA GLU A 138 -5.332 -18.587 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -6.597 -16.563 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -7.404 -17.234 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.466 -19.265 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -7.632 -18.135 7.711 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.565 -16.228 4.156 1.00 0.00 N ATOM 2092 CA TRP A 139 -2.904 -15.601 2.978 1.00 0.00 C ATOM 2093 C TRP A 139 -2.030 -16.680 2.242 1.00 0.00 C ATOM 2094 O TRP A 139 -0.980 -17.086 2.760 1.00 0.00 O ATOM 2095 CB TRP A 139 -2.046 -14.393 3.458 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.709 -13.014 3.430 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.048 -12.242 4.552 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -3.035 -12.229 2.342 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -3.653 -11.015 4.203 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.622 -11.032 2.819 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -2.878 -12.449 0.945 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.078 -10.052 1.903 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.330 -11.466 0.063 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -3.924 -10.287 0.535 1.00 0.00 C ATOM 0 H TRP A 139 -2.937 -16.352 4.950 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.646 -15.229 2.272 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.722 -14.592 4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.148 -14.349 2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -2.866 -12.552 5.570 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.023 -10.292 4.820 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.420 -13.355 0.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.536 -9.140 2.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.220 -11.616 -1.001 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.269 -9.547 -0.172 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.429 -17.107 1.035 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.596 -17.999 0.174 1.00 0.00 C ATOM 2117 C GLU A 140 -0.509 -17.206 -0.628 1.00 0.00 C ATOM 2118 O GLU A 140 -0.723 -16.070 -1.068 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.532 -18.782 -0.786 1.00 0.00 C ATOM 2120 CG GLU A 140 -3.250 -20.018 -0.169 1.00 0.00 C ATOM 2121 CD GLU A 140 -2.493 -21.334 -0.275 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -1.450 -21.489 0.392 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -2.952 -22.224 -1.024 1.00 0.00 O ATOM 0 H GLU A 140 -3.326 -16.855 0.620 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.055 -18.694 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.290 -18.096 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.947 -19.115 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.446 -19.815 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.218 -20.135 -0.656 1.00 0.00 H new ATOM 2130 N LEU A 141 0.660 -17.824 -0.834 1.00 0.00 N ATOM 2131 CA LEU A 141 1.797 -17.214 -1.582 1.00 0.00 C ATOM 2132 C LEU A 141 1.708 -17.528 -3.124 1.00 0.00 C ATOM 2133 O LEU A 141 1.599 -18.691 -3.520 1.00 0.00 O ATOM 2134 CB LEU A 141 3.127 -17.745 -0.957 1.00 0.00 C ATOM 2135 CG LEU A 141 3.424 -17.342 0.523 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.266 -18.534 1.488 1.00 0.00 C ATOM 2137 CD2 LEU A 141 4.807 -16.683 0.683 1.00 0.00 C ATOM 0 H LEU A 141 0.858 -18.764 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 141 1.760 -16.128 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.119 -18.833 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 141 3.955 -17.398 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 141 2.676 -16.596 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.482 -18.209 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.245 -18.911 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 141 3.960 -19.326 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.966 -16.421 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.581 -17.379 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.853 -15.781 0.072 1.00 0.00 H new ATOM 2149 N ASP A 142 1.782 -16.500 -3.987 1.00 0.00 N ATOM 2150 CA ASP A 142 1.837 -16.669 -5.478 1.00 0.00 C ATOM 2151 C ASP A 142 3.325 -16.758 -5.981 1.00 0.00 C ATOM 2152 O ASP A 142 3.727 -17.795 -6.522 1.00 0.00 O ATOM 2153 CB ASP A 142 0.961 -15.547 -6.122 1.00 0.00 C ATOM 2154 CG ASP A 142 0.456 -15.737 -7.555 1.00 0.00 C ATOM 2155 OD1 ASP A 142 0.440 -16.861 -8.091 1.00 0.00 O ATOM 2156 OD2 ASP A 142 0.009 -14.731 -8.145 1.00 0.00 O ATOM 0 H ASP A 142 1.806 -15.525 -3.687 1.00 0.00 H new ATOM 0 HA ASP A 142 1.409 -17.619 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.091 -15.399 -5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 142 1.537 -14.622 -6.095 1.00 0.00 H new ATOM 2161 N ALA A 143 4.175 -15.718 -5.786 1.00 0.00 N ATOM 2162 CA ALA A 143 5.604 -15.753 -6.211 1.00 0.00 C ATOM 2163 C ALA A 143 6.563 -14.850 -5.356 1.00 0.00 C ATOM 2164 O ALA A 143 6.513 -13.619 -5.455 1.00 0.00 O ATOM 2165 CB ALA A 143 5.640 -15.372 -7.710 1.00 0.00 C ATOM 0 H ALA A 143 3.899 -14.844 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 143 5.990 -16.759 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.671 -15.385 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.051 -16.089 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.224 -14.373 -7.842 1.00 0.00 H new ATOM 2171 N GLU A 144 7.493 -15.448 -4.577 1.00 0.00 N ATOM 2172 CA GLU A 144 8.638 -14.697 -3.971 1.00 0.00 C ATOM 2173 C GLU A 144 9.904 -14.636 -4.902 1.00 0.00 C ATOM 2174 O GLU A 144 10.307 -15.603 -5.554 1.00 0.00 O ATOM 2175 CB GLU A 144 8.923 -15.143 -2.506 1.00 0.00 C ATOM 2176 CG GLU A 144 9.907 -14.206 -1.728 1.00 0.00 C ATOM 2177 CD GLU A 144 10.057 -14.404 -0.228 1.00 0.00 C ATOM 2178 OE1 GLU A 144 10.429 -15.514 0.204 1.00 0.00 O ATOM 2179 OE2 GLU A 144 9.871 -13.419 0.521 1.00 0.00 O ATOM 0 H GLU A 144 7.482 -16.442 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 144 8.327 -13.655 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 144 7.979 -15.191 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.335 -16.152 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 144 10.894 -14.314 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 144 9.590 -13.177 -1.897 1.00 0.00 H new ATOM 2186 N THR A 145 10.513 -13.437 -4.971 1.00 0.00 N ATOM 2187 CA THR A 145 11.739 -13.157 -5.779 1.00 0.00 C ATOM 2188 C THR A 145 12.801 -12.423 -4.896 1.00 0.00 C ATOM 2189 O THR A 145 12.622 -11.261 -4.498 1.00 0.00 O ATOM 2190 CB THR A 145 11.408 -12.322 -7.057 1.00 0.00 C ATOM 2191 OG1 THR A 145 10.682 -11.142 -6.721 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.582 -13.088 -8.100 1.00 0.00 C ATOM 0 H THR A 145 10.172 -12.619 -4.465 1.00 0.00 H new ATOM 0 HA THR A 145 12.151 -14.109 -6.114 1.00 0.00 H new ATOM 0 HB THR A 145 12.378 -12.083 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.062 -10.744 -5.910 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.392 -12.444 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.133 -13.971 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.633 -13.394 -7.659 1.00 0.00 H new ATOM 2200 N ASP A 146 13.931 -13.093 -4.640 1.00 0.00 N ATOM 2201 CA ASP A 146 15.042 -12.558 -3.813 1.00 0.00 C ATOM 2202 C ASP A 146 15.922 -11.458 -4.518 1.00 0.00 C ATOM 2203 O ASP A 146 16.015 -11.358 -5.749 1.00 0.00 O ATOM 2204 CB ASP A 146 15.812 -13.791 -3.256 1.00 0.00 C ATOM 2205 CG ASP A 146 16.740 -14.532 -4.220 1.00 0.00 C ATOM 2206 OD1 ASP A 146 16.245 -15.194 -5.156 1.00 0.00 O ATOM 2207 OD2 ASP A 146 17.973 -14.447 -4.038 1.00 0.00 O ATOM 0 H ASP A 146 14.111 -14.030 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 146 14.650 -11.974 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 146 16.405 -13.461 -2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.079 -14.504 -2.878 1.00 0.00 H new ATOM 2212 N HIS A 147 16.495 -10.544 -3.717 1.00 0.00 N ATOM 2213 CA HIS A 147 17.376 -9.447 -4.220 1.00 0.00 C ATOM 2214 C HIS A 147 18.452 -9.026 -3.160 1.00 0.00 C ATOM 2215 O HIS A 147 18.267 -9.169 -1.947 1.00 0.00 O ATOM 2216 CB HIS A 147 16.558 -8.184 -4.663 1.00 0.00 C ATOM 2217 CG HIS A 147 15.433 -8.369 -5.691 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.125 -8.643 -5.333 1.00 0.00 N ATOM 2219 CD2 HIS A 147 15.601 -8.565 -7.073 1.00 0.00 C ATOM 2220 CE1 HIS A 147 13.620 -9.086 -6.530 1.00 0.00 C ATOM 2221 NE2 HIS A 147 14.416 -9.020 -7.649 1.00 0.00 N ATOM 0 H HIS A 147 16.369 -10.534 -2.705 1.00 0.00 H new ATOM 0 HA HIS A 147 17.885 -9.853 -5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.121 -7.740 -3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.262 -7.457 -5.068 1.00 0.00 H new ATOM 0 HD2 HIS A 147 16.520 -8.388 -7.613 1.00 0.00 H new ATOM 0 HE1 HIS A 147 12.616 -9.479 -6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 147 14.201 -9.241 -8.621 1.00 0.00 H new ATOM 2230 N GLU A 148 19.538 -8.390 -3.641 1.00 0.00 N ATOM 2231 CA GLU A 148 20.628 -7.799 -2.801 1.00 0.00 C ATOM 2232 C GLU A 148 20.299 -6.945 -1.524 1.00 0.00 C ATOM 2233 O GLU A 148 21.039 -7.020 -0.540 1.00 0.00 O ATOM 2234 CB GLU A 148 21.568 -7.066 -3.803 1.00 0.00 C ATOM 2235 CG GLU A 148 21.011 -5.783 -4.492 1.00 0.00 C ATOM 2236 CD GLU A 148 21.735 -5.330 -5.745 1.00 0.00 C ATOM 2237 OE1 GLU A 148 21.361 -5.796 -6.842 1.00 0.00 O ATOM 2238 OE2 GLU A 148 22.635 -4.471 -5.649 1.00 0.00 O ATOM 0 H GLU A 148 19.696 -8.264 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 148 21.079 -8.638 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.482 -6.796 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 148 21.849 -7.774 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 148 19.965 -5.956 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.034 -4.968 -3.769 1.00 0.00 H new ATOM 2245 N GLY A 149 19.199 -6.173 -1.505 1.00 0.00 N ATOM 2246 CA GLY A 149 18.619 -5.671 -0.222 1.00 0.00 C ATOM 2247 C GLY A 149 17.082 -5.524 -0.144 1.00 0.00 C ATOM 2248 O GLY A 149 16.605 -4.569 0.471 1.00 0.00 O ATOM 0 H GLY A 149 18.693 -5.881 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 149 18.934 -6.344 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.061 -4.697 -0.011 1.00 0.00 H new ATOM 2252 N PHE A 150 16.309 -6.461 -0.722 1.00 0.00 N ATOM 2253 CA PHE A 150 14.825 -6.539 -0.556 1.00 0.00 C ATOM 2254 C PHE A 150 14.266 -7.914 -1.077 1.00 0.00 C ATOM 2255 O PHE A 150 14.797 -8.536 -2.001 1.00 0.00 O ATOM 2256 CB PHE A 150 14.064 -5.299 -1.143 1.00 0.00 C ATOM 2257 CG PHE A 150 13.668 -5.296 -2.632 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.629 -5.183 -3.639 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.319 -5.425 -2.984 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.248 -5.205 -4.980 1.00 0.00 C ATOM 2261 CE2 PHE A 150 11.940 -5.437 -4.322 1.00 0.00 C ATOM 2262 CZ PHE A 150 12.901 -5.325 -5.319 1.00 0.00 C ATOM 0 H PHE A 150 16.687 -7.194 -1.322 1.00 0.00 H new ATOM 0 HA PHE A 150 14.626 -6.498 0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.152 -5.168 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.684 -4.420 -0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.672 -5.078 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.569 -5.516 -2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 150 14.996 -5.129 -5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 150 10.897 -5.534 -4.586 1.00 0.00 H new ATOM 0 HZ PHE A 150 12.604 -5.331 -6.357 1.00 0.00 H new ATOM 2272 N THR A 151 13.129 -8.341 -0.530 1.00 0.00 N ATOM 2273 CA THR A 151 12.374 -9.539 -1.007 1.00 0.00 C ATOM 2274 C THR A 151 10.970 -9.054 -1.489 1.00 0.00 C ATOM 2275 O THR A 151 10.138 -8.653 -0.669 1.00 0.00 O ATOM 2276 CB THR A 151 12.268 -10.679 0.076 1.00 0.00 C ATOM 2277 OG1 THR A 151 12.739 -10.314 1.375 1.00 0.00 O ATOM 2278 CG2 THR A 151 13.056 -11.938 -0.294 1.00 0.00 C ATOM 0 H THR A 151 12.688 -7.875 0.263 1.00 0.00 H new ATOM 0 HA THR A 151 12.919 -9.999 -1.832 1.00 0.00 H new ATOM 0 HB THR A 151 11.194 -10.863 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 151 12.461 -9.397 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 151 12.941 -12.683 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 151 12.678 -12.341 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 151 14.111 -11.687 -0.405 1.00 0.00 H new ATOM 2286 N LEU A 152 10.669 -9.083 -2.803 1.00 0.00 N ATOM 2287 CA LEU A 152 9.249 -9.003 -3.275 1.00 0.00 C ATOM 2288 C LEU A 152 8.569 -10.394 -3.134 1.00 0.00 C ATOM 2289 O LEU A 152 8.953 -11.341 -3.823 1.00 0.00 O ATOM 2290 CB LEU A 152 9.183 -8.463 -4.735 1.00 0.00 C ATOM 2291 CG LEU A 152 7.814 -8.381 -5.484 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.325 -9.721 -6.069 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.691 -7.693 -4.679 1.00 0.00 C ATOM 0 H LEU A 152 11.361 -9.159 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 152 8.700 -8.297 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.607 -7.459 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 152 9.845 -9.084 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 152 8.044 -7.733 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.369 -9.572 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.057 -10.094 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.203 -10.446 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.776 -7.678 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.516 -8.243 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 152 6.987 -6.671 -4.442 1.00 0.00 H new ATOM 2305 N GLN A 153 7.541 -10.460 -2.290 1.00 0.00 N ATOM 2306 CA GLN A 153 6.599 -11.610 -2.214 1.00 0.00 C ATOM 2307 C GLN A 153 5.193 -11.195 -2.783 1.00 0.00 C ATOM 2308 O GLN A 153 4.549 -10.306 -2.214 1.00 0.00 O ATOM 2309 CB GLN A 153 6.585 -12.188 -0.761 1.00 0.00 C ATOM 2310 CG GLN A 153 6.658 -11.218 0.458 1.00 0.00 C ATOM 2311 CD GLN A 153 6.546 -11.860 1.844 1.00 0.00 C ATOM 2312 OE1 GLN A 153 6.497 -13.062 2.068 1.00 0.00 O ATOM 2313 NE2 GLN A 153 6.427 -11.056 2.862 1.00 0.00 N ATOM 0 H GLN A 153 7.324 -9.716 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 153 6.932 -12.431 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 153 5.674 -12.777 -0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 153 7.424 -12.879 -0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 153 7.602 -10.676 0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 153 5.861 -10.481 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 153 6.462 -10.046 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 153 6.299 -11.436 3.800 1.00 0.00 H new ATOM 2322 N GLU A 154 4.727 -11.814 -3.901 1.00 0.00 N ATOM 2323 CA GLU A 154 3.285 -11.763 -4.314 1.00 0.00 C ATOM 2324 C GLU A 154 2.396 -12.851 -3.621 1.00 0.00 C ATOM 2325 O GLU A 154 2.850 -13.945 -3.271 1.00 0.00 O ATOM 2326 CB GLU A 154 3.066 -11.728 -5.872 1.00 0.00 C ATOM 2327 CG GLU A 154 2.843 -10.285 -6.396 1.00 0.00 C ATOM 2328 CD GLU A 154 2.181 -9.971 -7.738 1.00 0.00 C ATOM 2329 OE1 GLU A 154 2.870 -9.963 -8.772 1.00 0.00 O ATOM 2330 OE2 GLU A 154 0.987 -9.592 -7.749 1.00 0.00 O ATOM 0 H GLU A 154 5.319 -12.352 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 154 2.938 -10.799 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 154 3.932 -12.164 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 154 2.205 -12.345 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.257 -9.769 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 154 3.824 -9.811 -6.419 1.00 0.00 H new ATOM 2337 N TRP A 155 1.117 -12.509 -3.392 1.00 0.00 N ATOM 2338 CA TRP A 155 0.166 -13.336 -2.588 1.00 0.00 C ATOM 2339 C TRP A 155 -1.291 -13.286 -3.177 1.00 0.00 C ATOM 2340 O TRP A 155 -1.653 -12.365 -3.914 1.00 0.00 O ATOM 2341 CB TRP A 155 0.142 -12.845 -1.112 1.00 0.00 C ATOM 2342 CG TRP A 155 1.431 -12.777 -0.272 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.394 -11.759 -0.384 1.00 0.00 C ATOM 2344 CD2 TRP A 155 1.740 -13.435 0.903 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.267 -11.726 0.712 1.00 0.00 N ATOM 2346 CE2 TRP A 155 2.840 -12.767 1.502 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.122 -14.521 1.567 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.276 -13.138 2.791 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.603 -14.902 2.820 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.657 -14.210 3.431 1.00 0.00 C ATOM 0 H TRP A 155 0.701 -11.651 -3.755 1.00 0.00 H new ATOM 0 HA TRP A 155 0.516 -14.367 -2.630 1.00 0.00 H new ATOM 0 HB2 TRP A 155 -0.288 -11.843 -1.117 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.555 -13.488 -0.574 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.454 -11.079 -1.221 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.038 -11.081 0.883 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.294 -15.045 1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 4.077 -12.599 3.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 1.156 -15.744 3.327 1.00 0.00 H new ATOM 0 HH2 TRP A 155 2.994 -14.512 4.412 1.00 0.00 H new ATOM 2361 N VAL A 156 -2.143 -14.267 -2.821 1.00 0.00 N ATOM 2362 CA VAL A 156 -3.472 -14.497 -3.500 1.00 0.00 C ATOM 2363 C VAL A 156 -4.709 -14.861 -2.573 1.00 0.00 C ATOM 2364 O VAL A 156 -5.775 -15.203 -3.096 1.00 0.00 O ATOM 2365 CB VAL A 156 -3.194 -15.520 -4.670 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -2.944 -16.976 -4.212 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -4.256 -15.522 -5.790 1.00 0.00 C ATOM 0 H VAL A 156 -1.950 -14.925 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.836 -13.544 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 156 -2.264 -15.130 -5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -2.763 -17.605 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -2.075 -17.007 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.818 -17.344 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -3.982 -16.254 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -5.228 -15.781 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -4.309 -14.532 -6.243 1.00 0.00 H new ATOM 2377 N ARG A 157 -4.609 -14.773 -1.225 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.706 -15.141 -0.261 1.00 0.00 C ATOM 2379 C ARG A 157 -6.058 -16.673 -0.179 1.00 0.00 C ATOM 2380 O ARG A 157 -5.640 -17.478 -1.015 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.951 -14.201 -0.392 1.00 0.00 C ATOM 2382 CG ARG A 157 -6.671 -12.708 -0.070 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.733 -12.006 0.786 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.950 -11.635 0.002 1.00 0.00 N ATOM 2385 CZ ARG A 157 -9.990 -10.991 0.498 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -10.150 -10.764 1.763 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -10.906 -10.574 -0.309 1.00 0.00 N ATOM 0 H ARG A 157 -3.763 -14.443 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.280 -14.953 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.339 -14.273 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.734 -14.562 0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.712 -12.639 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.570 -12.165 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.021 -12.660 1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.302 -11.108 1.228 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.979 -11.897 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.452 -11.089 2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.974 -10.261 2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.819 -10.744 -1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.717 -10.074 0.055 1.00 0.00 H new ATOM 2401 N SER A 158 -6.854 -17.077 0.834 1.00 0.00 N ATOM 2402 CA SER A 158 -7.382 -18.469 0.965 1.00 0.00 C ATOM 2403 C SER A 158 -8.393 -18.850 -0.171 1.00 0.00 C ATOM 2404 O SER A 158 -9.598 -18.586 -0.137 1.00 0.00 O ATOM 2405 CB SER A 158 -7.948 -18.593 2.389 1.00 0.00 C ATOM 2406 OG SER A 158 -8.510 -19.881 2.634 1.00 0.00 O ATOM 0 H SER A 158 -7.153 -16.456 1.586 1.00 0.00 H new ATOM 0 HA SER A 158 -6.587 -19.202 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 158 -7.155 -18.401 3.112 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.711 -17.830 2.543 1.00 0.00 H new ATOM 0 HG SER A 158 -8.890 -19.906 3.537 1.00 0.00 H new