USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 Single : A 1 ALA N :NH3+ -144:sc= -0.381 (180deg=-1.84!) USER MOD Single : A 9 THR OG1 : rot 48:sc= 0.74 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.75! K(o=-2.8!,f=-0.59) USER MOD Single : A 48 ASN : amide:sc=-0.00052 X(o=-0.00052,f=-0.28) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 69:sc= 0.677 USER MOD Single : A 55 GLN : amide:sc= -6.01! C(o=-6!,f=-10!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.488 USER MOD Single : A 58 GLN : amide:sc= -0.354 K(o=-0.35,f=-2.6) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -54:sc= 1.11 USER MOD Single : A 75 SER OG : rot 102:sc= -1.31! USER MOD Single : A 92 SER OG : rot 110:sc= -4.19! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.925 -16.213 -22.434 1.00 7.53 N ATOM 2 CA ALA A 1 0.875 -15.844 -21.440 1.00 7.08 C ATOM 3 C ALA A 1 1.190 -16.418 -20.053 1.00 6.20 C ATOM 4 O ALA A 1 2.292 -16.214 -19.542 1.00 6.00 O ATOM 5 CB ALA A 1 -0.506 -16.287 -21.906 1.00 7.77 C ATOM 0 H1 ALA A 1 2.068 -15.424 -23.097 1.00 7.53 H new ATOM 0 H2 ALA A 1 2.817 -16.415 -21.938 1.00 7.53 H new ATOM 0 H3 ALA A 1 1.623 -17.057 -22.961 1.00 7.53 H new ATOM 0 HA ALA A 1 0.872 -14.757 -21.359 1.00 7.08 H new ATOM 0 HB1 ALA A 1 -1.250 -16.004 -21.161 1.00 7.77 H new ATOM 0 HB2 ALA A 1 -0.742 -15.805 -22.855 1.00 7.77 H new ATOM 0 HB3 ALA A 1 -0.516 -17.369 -22.036 1.00 7.77 H new ATOM 13 N VAL A 2 0.215 -17.114 -19.427 1.00 5.96 N ATOM 14 CA VAL A 2 0.404 -17.677 -18.075 1.00 5.34 C ATOM 15 C VAL A 2 1.112 -16.637 -17.210 1.00 4.16 C ATOM 16 O VAL A 2 1.059 -15.455 -17.520 1.00 3.89 O ATOM 17 CB VAL A 2 1.256 -18.979 -18.076 1.00 5.87 C ATOM 18 CG1 VAL A 2 0.546 -20.089 -17.305 1.00 6.71 C ATOM 19 CG2 VAL A 2 1.606 -19.440 -19.489 1.00 6.44 C ATOM 0 H VAL A 2 -0.702 -17.297 -19.834 1.00 5.96 H new ATOM 0 HA VAL A 2 -0.582 -17.929 -17.685 1.00 5.34 H new ATOM 0 HB VAL A 2 2.195 -18.749 -17.573 1.00 5.87 H new ATOM 0 HG11 VAL A 2 1.159 -20.990 -17.318 1.00 6.71 H new ATOM 0 HG12 VAL A 2 0.388 -19.772 -16.274 1.00 6.71 H new ATOM 0 HG13 VAL A 2 -0.417 -20.298 -17.772 1.00 6.71 H new ATOM 0 HG21 VAL A 2 2.201 -20.352 -19.437 1.00 6.44 H new ATOM 0 HG22 VAL A 2 0.689 -19.636 -20.045 1.00 6.44 H new ATOM 0 HG23 VAL A 2 2.178 -18.662 -19.994 1.00 6.44 H new ATOM 29 N LEU A 3 1.774 -17.043 -16.133 1.00 3.73 N ATOM 30 CA LEU A 3 2.469 -16.053 -15.284 1.00 2.92 C ATOM 31 C LEU A 3 3.841 -15.859 -15.838 1.00 3.01 C ATOM 32 O LEU A 3 4.796 -15.578 -15.097 1.00 3.74 O ATOM 33 CB LEU A 3 2.626 -16.560 -13.821 1.00 2.94 C ATOM 34 CG LEU A 3 2.252 -15.574 -12.701 1.00 3.12 C ATOM 35 CD1 LEU A 3 2.335 -14.136 -13.170 1.00 3.11 C ATOM 36 CD2 LEU A 3 0.873 -15.892 -12.164 1.00 3.93 C ATOM 0 H LEU A 3 1.851 -18.012 -15.825 1.00 3.73 H new ATOM 0 HA LEU A 3 1.885 -15.133 -15.278 1.00 2.92 H new ATOM 0 HB2 LEU A 3 2.014 -17.455 -13.704 1.00 2.94 H new ATOM 0 HB3 LEU A 3 3.663 -16.862 -13.676 1.00 2.94 H new ATOM 0 HG LEU A 3 2.976 -15.690 -11.895 1.00 3.12 H new ATOM 0 HD11 LEU A 3 2.064 -13.470 -12.351 1.00 3.11 H new ATOM 0 HD12 LEU A 3 3.352 -13.917 -13.494 1.00 3.11 H new ATOM 0 HD13 LEU A 3 1.649 -13.985 -14.003 1.00 3.11 H new ATOM 0 HD21 LEU A 3 0.620 -15.187 -11.372 1.00 3.93 H new ATOM 0 HD22 LEU A 3 0.142 -15.812 -12.968 1.00 3.93 H new ATOM 0 HD23 LEU A 3 0.863 -16.906 -11.764 1.00 3.93 H new ATOM 48 N ASP A 4 4.027 -16.113 -17.116 1.00 2.94 N ATOM 49 CA ASP A 4 5.358 -15.840 -17.724 1.00 3.78 C ATOM 50 C ASP A 4 6.018 -17.197 -17.768 1.00 4.50 C ATOM 51 O ASP A 4 6.589 -17.683 -18.716 1.00 5.21 O ATOM 52 CB ASP A 4 6.165 -14.782 -17.052 1.00 4.19 C ATOM 53 CG ASP A 4 7.344 -14.295 -17.868 1.00 5.28 C ATOM 54 OD1 ASP A 4 7.409 -14.605 -19.073 1.00 5.64 O ATOM 55 OD2 ASP A 4 8.206 -13.598 -17.290 1.00 6.04 O ATOM 0 H ASP A 4 3.323 -16.491 -17.749 1.00 2.94 H new ATOM 0 HA ASP A 4 5.257 -15.396 -18.714 1.00 3.78 H new ATOM 0 HB2 ASP A 4 5.518 -13.934 -16.826 1.00 4.19 H new ATOM 0 HB3 ASP A 4 6.530 -15.167 -16.100 1.00 4.19 H new ATOM 60 N LEU A 5 5.937 -17.806 -16.557 1.00 4.58 N ATOM 61 CA LEU A 5 6.513 -19.106 -16.286 1.00 5.36 C ATOM 62 C LEU A 5 5.863 -19.724 -15.046 1.00 5.14 C ATOM 63 O LEU A 5 5.800 -20.943 -14.937 1.00 5.38 O ATOM 64 CB LEU A 5 8.045 -19.039 -16.164 1.00 5.89 C ATOM 65 CG LEU A 5 8.623 -18.318 -14.947 1.00 5.61 C ATOM 66 CD1 LEU A 5 8.138 -16.886 -14.896 1.00 5.18 C ATOM 67 CD2 LEU A 5 8.301 -19.056 -13.659 1.00 6.17 C ATOM 0 H LEU A 5 5.465 -17.391 -15.754 1.00 4.58 H new ATOM 0 HA LEU A 5 6.304 -19.756 -17.135 1.00 5.36 H new ATOM 0 HB2 LEU A 5 8.428 -20.060 -16.164 1.00 5.89 H new ATOM 0 HB3 LEU A 5 8.433 -18.553 -17.059 1.00 5.89 H new ATOM 0 HG LEU A 5 9.708 -18.305 -15.049 1.00 5.61 H new ATOM 0 HD11 LEU A 5 8.561 -16.390 -14.022 1.00 5.18 H new ATOM 0 HD12 LEU A 5 8.453 -16.363 -15.799 1.00 5.18 H new ATOM 0 HD13 LEU A 5 7.050 -16.872 -14.830 1.00 5.18 H new ATOM 0 HD21 LEU A 5 8.727 -18.516 -12.814 1.00 6.17 H new ATOM 0 HD22 LEU A 5 7.220 -19.123 -13.539 1.00 6.17 H new ATOM 0 HD23 LEU A 5 8.725 -20.059 -13.699 1.00 6.17 H new ATOM 79 N ASP A 6 5.379 -18.874 -14.109 1.00 5.10 N ATOM 80 CA ASP A 6 4.704 -19.349 -12.917 1.00 5.24 C ATOM 81 C ASP A 6 4.495 -18.286 -11.873 1.00 4.67 C ATOM 82 O ASP A 6 3.633 -18.418 -10.994 1.00 4.81 O ATOM 83 CB ASP A 6 5.461 -20.514 -12.269 1.00 6.25 C ATOM 84 CG ASP A 6 4.646 -21.178 -11.175 1.00 7.06 C ATOM 85 OD1 ASP A 6 4.654 -20.665 -10.036 1.00 7.49 O ATOM 86 OD2 ASP A 6 3.987 -22.198 -11.462 1.00 7.52 O ATOM 0 H ASP A 6 5.453 -17.859 -14.172 1.00 5.10 H new ATOM 0 HA ASP A 6 3.725 -19.676 -13.268 1.00 5.24 H new ATOM 0 HB2 ASP A 6 5.715 -21.251 -13.031 1.00 6.25 H new ATOM 0 HB3 ASP A 6 6.400 -20.150 -11.852 1.00 6.25 H new ATOM 91 N VAL A 7 5.311 -17.298 -11.875 1.00 4.51 N ATOM 92 CA VAL A 7 5.222 -16.222 -10.766 1.00 4.49 C ATOM 93 C VAL A 7 5.715 -14.780 -11.112 1.00 3.80 C ATOM 94 O VAL A 7 5.904 -13.984 -10.182 1.00 4.21 O ATOM 95 CB VAL A 7 5.987 -16.689 -9.540 1.00 5.42 C ATOM 96 CG1 VAL A 7 5.559 -18.101 -9.172 1.00 6.10 C ATOM 97 CG2 VAL A 7 7.477 -16.656 -9.836 1.00 5.71 C ATOM 0 H VAL A 7 6.044 -17.149 -12.568 1.00 4.51 H new ATOM 0 HA VAL A 7 4.148 -16.124 -10.606 1.00 4.49 H new ATOM 0 HB VAL A 7 5.771 -16.027 -8.701 1.00 5.42 H new ATOM 0 HG11 VAL A 7 6.111 -18.431 -8.292 1.00 6.10 H new ATOM 0 HG12 VAL A 7 4.491 -18.113 -8.956 1.00 6.10 H new ATOM 0 HG13 VAL A 7 5.768 -18.773 -10.004 1.00 6.10 H new ATOM 0 HG21 VAL A 7 8.030 -16.991 -8.958 1.00 5.71 H new ATOM 0 HG22 VAL A 7 7.696 -17.316 -10.676 1.00 5.71 H new ATOM 0 HG23 VAL A 7 7.776 -15.638 -10.087 1.00 5.71 H new ATOM 107 N ARG A 8 6.030 -14.465 -12.363 1.00 3.18 N ATOM 108 CA ARG A 8 6.588 -13.147 -12.687 1.00 2.86 C ATOM 109 C ARG A 8 5.665 -12.325 -13.583 1.00 2.27 C ATOM 110 O ARG A 8 4.799 -12.870 -14.263 1.00 2.54 O ATOM 111 CB ARG A 8 7.963 -13.308 -13.329 1.00 3.25 C ATOM 112 CG ARG A 8 9.094 -13.229 -12.321 1.00 4.26 C ATOM 113 CD ARG A 8 10.382 -13.817 -12.872 1.00 5.04 C ATOM 114 NE ARG A 8 11.077 -14.643 -11.887 1.00 6.13 N ATOM 115 CZ ARG A 8 10.663 -15.849 -11.503 1.00 6.96 C ATOM 116 NH1 ARG A 8 9.553 -16.379 -12.005 1.00 7.00 N ATOM 117 NH2 ARG A 8 11.351 -16.524 -10.595 1.00 7.97 N ATOM 0 H ARG A 8 5.913 -15.089 -13.161 1.00 3.18 H new ATOM 0 HA ARG A 8 6.688 -12.595 -11.753 1.00 2.86 H new ATOM 0 HB2 ARG A 8 8.008 -14.267 -13.845 1.00 3.25 H new ATOM 0 HB3 ARG A 8 8.100 -12.533 -14.084 1.00 3.25 H new ATOM 0 HG2 ARG A 8 9.260 -12.189 -12.041 1.00 4.26 H new ATOM 0 HG3 ARG A 8 8.810 -13.762 -11.413 1.00 4.26 H new ATOM 0 HD2 ARG A 8 10.157 -14.417 -13.754 1.00 5.04 H new ATOM 0 HD3 ARG A 8 11.039 -13.010 -13.195 1.00 5.04 H new ATOM 0 HE ARG A 8 11.931 -14.274 -11.468 1.00 6.13 H new ATOM 0 HH11 ARG A 8 9.007 -15.861 -12.693 1.00 7.00 H new ATOM 0 HH12 ARG A 8 9.247 -17.304 -11.702 1.00 7.00 H new ATOM 0 HH21 ARG A 8 12.196 -16.120 -10.191 1.00 7.97 H new ATOM 0 HH22 ARG A 8 11.036 -17.448 -10.299 1.00 7.97 H new ATOM 131 N THR A 9 5.844 -11.003 -13.556 1.00 2.19 N ATOM 132 CA THR A 9 5.018 -10.091 -14.335 1.00 1.99 C ATOM 133 C THR A 9 5.807 -9.404 -15.453 1.00 1.73 C ATOM 134 O THR A 9 6.290 -8.281 -15.291 1.00 2.29 O ATOM 135 CB THR A 9 4.419 -9.067 -13.378 1.00 2.68 C ATOM 136 OG1 THR A 9 5.440 -8.322 -12.738 1.00 3.21 O ATOM 137 CG2 THR A 9 3.590 -9.721 -12.299 1.00 3.21 C ATOM 0 H THR A 9 6.561 -10.541 -12.997 1.00 2.19 H new ATOM 0 HA THR A 9 4.229 -10.657 -14.830 1.00 1.99 H new ATOM 0 HB THR A 9 3.786 -8.417 -13.982 1.00 2.68 H new ATOM 0 HG1 THR A 9 6.088 -8.014 -13.406 1.00 3.21 H new ATOM 0 HG21 THR A 9 3.182 -8.955 -11.639 1.00 3.21 H new ATOM 0 HG22 THR A 9 2.773 -10.279 -12.756 1.00 3.21 H new ATOM 0 HG23 THR A 9 4.216 -10.402 -11.722 1.00 3.21 H new ATOM 145 N CYS A 10 5.921 -10.090 -16.595 1.00 1.35 N ATOM 146 CA CYS A 10 6.641 -9.561 -17.756 1.00 1.53 C ATOM 147 C CYS A 10 7.974 -8.941 -17.348 1.00 1.24 C ATOM 148 O CYS A 10 8.640 -9.443 -16.444 1.00 1.45 O ATOM 149 CB CYS A 10 5.768 -8.547 -18.500 1.00 2.20 C ATOM 150 SG CYS A 10 6.037 -8.515 -20.302 1.00 2.83 S ATOM 0 H CYS A 10 5.521 -11.017 -16.739 1.00 1.35 H new ATOM 0 HA CYS A 10 6.861 -10.390 -18.428 1.00 1.53 H new ATOM 0 HB2 CYS A 10 4.720 -8.773 -18.304 1.00 2.20 H new ATOM 0 HB3 CYS A 10 5.961 -7.553 -18.097 1.00 2.20 H new ATOM 155 N LEU A 11 8.368 -7.858 -18.017 1.00 1.18 N ATOM 156 CA LEU A 11 9.623 -7.197 -17.710 1.00 1.19 C ATOM 157 C LEU A 11 9.376 -5.942 -16.875 1.00 1.07 C ATOM 158 O LEU A 11 8.569 -5.081 -17.243 1.00 1.05 O ATOM 159 CB LEU A 11 10.372 -6.854 -19.001 1.00 1.54 C ATOM 160 CG LEU A 11 11.646 -7.674 -19.264 1.00 2.05 C ATOM 161 CD1 LEU A 11 11.431 -9.161 -18.978 1.00 2.32 C ATOM 162 CD2 LEU A 11 12.107 -7.479 -20.699 1.00 2.57 C ATOM 0 H LEU A 11 7.834 -7.426 -18.771 1.00 1.18 H new ATOM 0 HA LEU A 11 10.242 -7.877 -17.125 1.00 1.19 H new ATOM 0 HB2 LEU A 11 9.692 -6.991 -19.842 1.00 1.54 H new ATOM 0 HB3 LEU A 11 10.639 -5.798 -18.976 1.00 1.54 H new ATOM 0 HG LEU A 11 12.418 -7.314 -18.584 1.00 2.05 H new ATOM 0 HD11 LEU A 11 12.354 -9.707 -19.176 1.00 2.32 H new ATOM 0 HD12 LEU A 11 11.148 -9.293 -17.934 1.00 2.32 H new ATOM 0 HD13 LEU A 11 10.638 -9.544 -19.620 1.00 2.32 H new ATOM 0 HD21 LEU A 11 13.010 -8.064 -20.874 1.00 2.57 H new ATOM 0 HD22 LEU A 11 11.323 -7.809 -21.381 1.00 2.57 H new ATOM 0 HD23 LEU A 11 12.319 -6.424 -20.873 1.00 2.57 H new ATOM 174 N PRO A 12 10.056 -5.831 -15.723 1.00 1.05 N ATOM 175 CA PRO A 12 9.900 -4.688 -14.820 1.00 0.98 C ATOM 176 C PRO A 12 10.003 -3.344 -15.541 1.00 0.86 C ATOM 177 O PRO A 12 10.394 -3.282 -16.709 1.00 0.85 O ATOM 178 CB PRO A 12 11.053 -4.869 -13.833 1.00 1.10 C ATOM 179 CG PRO A 12 11.294 -6.337 -13.806 1.00 1.16 C ATOM 180 CD PRO A 12 11.019 -6.821 -15.201 1.00 1.16 C ATOM 0 HA PRO A 12 8.916 -4.667 -14.351 1.00 0.98 H new ATOM 0 HB2 PRO A 12 11.941 -4.327 -14.157 1.00 1.10 H new ATOM 0 HB3 PRO A 12 10.792 -4.491 -12.844 1.00 1.10 H new ATOM 0 HG2 PRO A 12 12.319 -6.560 -13.509 1.00 1.16 H new ATOM 0 HG3 PRO A 12 10.640 -6.828 -13.085 1.00 1.16 H new ATOM 0 HD2 PRO A 12 11.928 -6.853 -15.802 1.00 1.16 H new ATOM 0 HD3 PRO A 12 10.601 -7.828 -15.202 1.00 1.16 H new ATOM 188 N CYS A 13 9.637 -2.258 -14.846 1.00 0.81 N ATOM 189 CA CYS A 13 9.684 -0.922 -15.430 1.00 0.71 C ATOM 190 C CYS A 13 10.049 0.133 -14.381 1.00 0.67 C ATOM 191 O CYS A 13 10.042 -0.143 -13.182 1.00 0.74 O ATOM 192 CB CYS A 13 8.340 -0.584 -16.078 1.00 0.68 C ATOM 193 SG CYS A 13 8.365 0.871 -17.170 1.00 0.90 S ATOM 0 H CYS A 13 9.307 -2.284 -13.881 1.00 0.81 H new ATOM 0 HA CYS A 13 10.461 -0.915 -16.194 1.00 0.71 H new ATOM 0 HB2 CYS A 13 8.002 -1.446 -16.653 1.00 0.68 H new ATOM 0 HB3 CYS A 13 7.605 -0.418 -15.291 1.00 0.68 H new ATOM 198 N GLY A 14 10.347 1.369 -14.849 1.00 0.61 N ATOM 199 CA GLY A 14 10.625 2.448 -13.945 1.00 0.62 C ATOM 200 C GLY A 14 12.013 2.333 -13.373 1.00 0.66 C ATOM 201 O GLY A 14 12.918 1.825 -14.035 1.00 0.68 O ATOM 0 H GLY A 14 10.394 1.615 -15.838 1.00 0.61 H new ATOM 0 HA2 GLY A 14 10.521 3.399 -14.467 1.00 0.62 H new ATOM 0 HA3 GLY A 14 9.894 2.446 -13.136 1.00 0.62 H new ATOM 205 N PRO A 15 12.219 2.796 -12.132 1.00 0.70 N ATOM 206 CA PRO A 15 13.523 2.734 -11.475 1.00 0.77 C ATOM 207 C PRO A 15 13.847 1.330 -10.975 1.00 0.83 C ATOM 208 O PRO A 15 13.512 0.968 -9.847 1.00 0.94 O ATOM 209 CB PRO A 15 13.360 3.698 -10.303 1.00 0.82 C ATOM 210 CG PRO A 15 11.912 3.638 -9.968 1.00 0.81 C ATOM 211 CD PRO A 15 11.191 3.416 -11.272 1.00 0.73 C ATOM 0 HA PRO A 15 14.342 2.991 -12.147 1.00 0.77 H new ATOM 0 HB2 PRO A 15 13.976 3.399 -9.455 1.00 0.82 H new ATOM 0 HB3 PRO A 15 13.662 4.709 -10.576 1.00 0.82 H new ATOM 0 HG2 PRO A 15 11.707 2.829 -9.267 1.00 0.81 H new ATOM 0 HG3 PRO A 15 11.583 4.562 -9.493 1.00 0.81 H new ATOM 0 HD2 PRO A 15 10.326 2.765 -11.147 1.00 0.73 H new ATOM 0 HD3 PRO A 15 10.826 4.353 -11.694 1.00 0.73 H new ATOM 219 N GLY A 16 14.497 0.543 -11.824 1.00 0.82 N ATOM 220 CA GLY A 16 14.852 -0.814 -11.455 1.00 0.92 C ATOM 221 C GLY A 16 13.798 -1.818 -11.891 1.00 0.90 C ATOM 222 O GLY A 16 14.004 -2.555 -12.852 1.00 0.93 O ATOM 0 H GLY A 16 14.785 0.821 -12.762 1.00 0.82 H new ATOM 0 HA2 GLY A 16 15.809 -1.074 -11.907 1.00 0.92 H new ATOM 0 HA3 GLY A 16 14.984 -0.873 -10.375 1.00 0.92 H new ATOM 226 N GLY A 17 12.675 -1.858 -11.170 1.00 0.86 N ATOM 227 CA GLY A 17 11.621 -2.788 -11.511 1.00 0.86 C ATOM 228 C GLY A 17 10.348 -2.509 -10.758 1.00 0.84 C ATOM 229 O GLY A 17 9.619 -3.430 -10.384 1.00 0.89 O ATOM 0 H GLY A 17 12.483 -1.265 -10.363 1.00 0.86 H new ATOM 0 HA2 GLY A 17 11.426 -2.736 -12.582 1.00 0.86 H new ATOM 0 HA3 GLY A 17 11.952 -3.804 -11.296 1.00 0.86 H new ATOM 233 N LYS A 18 10.036 -1.226 -10.565 1.00 0.79 N ATOM 234 CA LYS A 18 8.836 -0.835 -9.858 1.00 0.78 C ATOM 235 C LYS A 18 7.579 -1.173 -10.634 1.00 0.72 C ATOM 236 O LYS A 18 6.546 -1.539 -10.054 1.00 0.77 O ATOM 237 CB LYS A 18 8.855 0.683 -9.614 1.00 0.76 C ATOM 238 CG LYS A 18 9.322 1.079 -8.223 1.00 0.83 C ATOM 239 CD LYS A 18 10.481 0.212 -7.747 1.00 0.90 C ATOM 240 CE LYS A 18 11.025 0.688 -6.409 1.00 0.98 C ATOM 241 NZ LYS A 18 10.381 -0.016 -5.266 1.00 1.40 N ATOM 0 H LYS A 18 10.605 -0.446 -10.893 1.00 0.79 H new ATOM 0 HA LYS A 18 8.822 -1.386 -8.918 1.00 0.78 H new ATOM 0 HB2 LYS A 18 9.506 1.151 -10.352 1.00 0.76 H new ATOM 0 HB3 LYS A 18 7.853 1.079 -9.776 1.00 0.76 H new ATOM 0 HG2 LYS A 18 9.628 2.125 -8.226 1.00 0.83 H new ATOM 0 HG3 LYS A 18 8.492 0.992 -7.522 1.00 0.83 H new ATOM 0 HD2 LYS A 18 10.149 -0.823 -7.658 1.00 0.90 H new ATOM 0 HD3 LYS A 18 11.278 0.229 -8.491 1.00 0.90 H new ATOM 0 HE2 LYS A 18 12.102 0.524 -6.376 1.00 0.98 H new ATOM 0 HE3 LYS A 18 10.863 1.761 -6.312 1.00 0.98 H new ATOM 0 HZ1 LYS A 18 10.779 0.337 -4.372 1.00 1.40 H new ATOM 0 HZ2 LYS A 18 9.356 0.161 -5.282 1.00 1.40 H new ATOM 0 HZ3 LYS A 18 10.557 -1.038 -5.344 1.00 1.40 H new ATOM 255 N GLY A 19 7.670 -1.144 -11.936 1.00 0.81 N ATOM 256 CA GLY A 19 6.516 -1.505 -12.780 1.00 0.81 C ATOM 257 C GLY A 19 6.855 -2.500 -13.900 1.00 0.84 C ATOM 258 O GLY A 19 7.613 -3.438 -13.687 1.00 0.91 O ATOM 0 H GLY A 19 8.511 -0.880 -12.450 1.00 0.81 H new ATOM 0 HA2 GLY A 19 5.737 -1.933 -12.150 1.00 0.81 H new ATOM 0 HA3 GLY A 19 6.105 -0.599 -13.224 1.00 0.81 H new ATOM 262 N ARG A 20 6.272 -2.282 -15.090 1.00 0.82 N ATOM 263 CA ARG A 20 6.506 -3.141 -16.230 1.00 0.90 C ATOM 264 C ARG A 20 5.866 -2.548 -17.474 1.00 0.83 C ATOM 265 O ARG A 20 5.229 -1.499 -17.412 1.00 0.76 O ATOM 266 CB ARG A 20 5.942 -4.535 -15.960 1.00 1.09 C ATOM 267 CG ARG A 20 4.423 -4.586 -15.990 1.00 1.07 C ATOM 268 CD ARG A 20 3.914 -5.868 -16.624 1.00 1.45 C ATOM 269 NE ARG A 20 3.265 -6.712 -15.632 1.00 1.54 N ATOM 270 CZ ARG A 20 1.997 -6.571 -15.256 1.00 2.05 C ATOM 271 NH1 ARG A 20 1.185 -5.763 -15.924 1.00 2.91 N ATOM 272 NH2 ARG A 20 1.530 -7.266 -14.232 1.00 2.19 N ATOM 0 H ARG A 20 5.633 -1.509 -15.274 1.00 0.82 H new ATOM 0 HA ARG A 20 7.580 -3.222 -16.395 1.00 0.90 H new ATOM 0 HB2 ARG A 20 6.336 -5.229 -16.702 1.00 1.09 H new ATOM 0 HB3 ARG A 20 6.291 -4.878 -14.986 1.00 1.09 H new ATOM 0 HG2 ARG A 20 4.037 -4.505 -14.974 1.00 1.07 H new ATOM 0 HG3 ARG A 20 4.042 -3.729 -16.546 1.00 1.07 H new ATOM 0 HD2 ARG A 20 3.211 -5.630 -17.422 1.00 1.45 H new ATOM 0 HD3 ARG A 20 4.744 -6.408 -17.081 1.00 1.45 H new ATOM 0 HE ARG A 20 3.814 -7.455 -15.200 1.00 1.54 H new ATOM 0 HH11 ARG A 20 1.532 -5.245 -16.731 1.00 2.91 H new ATOM 0 HH12 ARG A 20 0.214 -5.659 -15.630 1.00 2.91 H new ATOM 0 HH21 ARG A 20 2.142 -7.910 -13.731 1.00 2.19 H new ATOM 0 HH22 ARG A 20 0.558 -7.158 -13.943 1.00 2.19 H new ATOM 286 N CYS A 21 5.997 -3.249 -18.592 1.00 0.88 N ATOM 287 CA CYS A 21 5.392 -2.806 -19.839 1.00 0.85 C ATOM 288 C CYS A 21 4.166 -3.615 -20.162 1.00 0.95 C ATOM 289 O CYS A 21 4.119 -4.831 -19.927 1.00 1.19 O ATOM 290 CB CYS A 21 6.379 -2.929 -21.000 1.00 1.01 C ATOM 291 SG CYS A 21 7.138 -1.347 -21.475 1.00 1.21 S ATOM 0 H CYS A 21 6.516 -4.125 -18.660 1.00 0.88 H new ATOM 0 HA CYS A 21 5.113 -1.761 -19.706 1.00 0.85 H new ATOM 0 HB2 CYS A 21 7.165 -3.632 -20.726 1.00 1.01 H new ATOM 0 HB3 CYS A 21 5.862 -3.349 -21.863 1.00 1.01 H new ATOM 296 N PHE A 22 3.131 -2.948 -20.618 1.00 0.89 N ATOM 297 CA PHE A 22 1.847 -3.639 -20.876 1.00 1.04 C ATOM 298 C PHE A 22 1.609 -3.843 -22.367 1.00 1.13 C ATOM 299 O PHE A 22 0.780 -4.667 -22.759 1.00 1.24 O ATOM 300 CB PHE A 22 0.656 -2.838 -20.291 1.00 1.03 C ATOM 301 CG PHE A 22 0.539 -2.927 -18.796 1.00 1.01 C ATOM 302 CD1 PHE A 22 1.659 -2.783 -17.986 1.00 1.58 C ATOM 303 CD2 PHE A 22 -0.693 -3.151 -18.200 1.00 1.54 C ATOM 304 CE1 PHE A 22 1.546 -2.862 -16.613 1.00 1.58 C ATOM 305 CE2 PHE A 22 -0.809 -3.232 -16.826 1.00 1.56 C ATOM 306 CZ PHE A 22 0.312 -3.086 -16.032 1.00 1.05 C ATOM 0 H PHE A 22 3.130 -1.948 -20.821 1.00 0.89 H new ATOM 0 HA PHE A 22 1.913 -4.611 -20.387 1.00 1.04 H new ATOM 0 HB2 PHE A 22 0.760 -1.791 -20.576 1.00 1.03 H new ATOM 0 HB3 PHE A 22 -0.269 -3.200 -20.740 1.00 1.03 H new ATOM 0 HD1 PHE A 22 2.626 -2.608 -18.435 1.00 1.58 H new ATOM 0 HD2 PHE A 22 -1.572 -3.263 -18.817 1.00 1.54 H new ATOM 0 HE1 PHE A 22 2.422 -2.749 -15.992 1.00 1.58 H new ATOM 0 HE2 PHE A 22 -1.774 -3.409 -16.374 1.00 1.56 H new ATOM 0 HZ PHE A 22 0.224 -3.147 -14.957 1.00 1.05 H new ATOM 316 N GLY A 23 2.372 -3.142 -23.216 1.00 1.13 N ATOM 317 CA GLY A 23 2.218 -3.343 -24.645 1.00 1.25 C ATOM 318 C GLY A 23 2.885 -2.283 -25.512 1.00 1.15 C ATOM 319 O GLY A 23 4.052 -2.423 -25.881 1.00 1.12 O ATOM 0 H GLY A 23 3.076 -2.456 -22.943 1.00 1.13 H new ATOM 0 HA2 GLY A 23 2.628 -4.318 -24.907 1.00 1.25 H new ATOM 0 HA3 GLY A 23 1.154 -3.370 -24.882 1.00 1.25 H new ATOM 323 N PRO A 24 2.145 -1.224 -25.892 1.00 1.15 N ATOM 324 CA PRO A 24 2.654 -0.164 -26.761 1.00 1.12 C ATOM 325 C PRO A 24 3.292 0.999 -26.009 1.00 1.02 C ATOM 326 O PRO A 24 2.593 1.876 -25.501 1.00 1.01 O ATOM 327 CB PRO A 24 1.389 0.302 -27.473 1.00 1.23 C ATOM 328 CG PRO A 24 0.291 0.102 -26.478 1.00 1.28 C ATOM 329 CD PRO A 24 0.732 -0.995 -25.534 1.00 1.23 C ATOM 0 HA PRO A 24 3.451 -0.524 -27.412 1.00 1.12 H new ATOM 0 HB2 PRO A 24 1.466 1.348 -27.771 1.00 1.23 H new ATOM 0 HB3 PRO A 24 1.210 -0.276 -28.380 1.00 1.23 H new ATOM 0 HG2 PRO A 24 0.096 1.024 -25.931 1.00 1.28 H new ATOM 0 HG3 PRO A 24 -0.637 -0.173 -26.980 1.00 1.28 H new ATOM 0 HD2 PRO A 24 0.628 -0.692 -24.492 1.00 1.23 H new ATOM 0 HD3 PRO A 24 0.135 -1.898 -25.664 1.00 1.23 H new ATOM 337 N SER A 25 4.625 1.007 -25.957 1.00 0.96 N ATOM 338 CA SER A 25 5.372 2.072 -25.284 1.00 0.88 C ATOM 339 C SER A 25 4.705 2.484 -23.975 1.00 0.78 C ATOM 340 O SER A 25 4.823 3.629 -23.543 1.00 0.73 O ATOM 341 CB SER A 25 5.492 3.289 -26.203 1.00 0.93 C ATOM 342 OG SER A 25 6.687 4.009 -25.950 1.00 0.92 O ATOM 0 H SER A 25 5.212 0.285 -26.375 1.00 0.96 H new ATOM 0 HA SER A 25 6.365 1.685 -25.053 1.00 0.88 H new ATOM 0 HB2 SER A 25 5.473 2.965 -27.244 1.00 0.93 H new ATOM 0 HB3 SER A 25 4.633 3.944 -26.058 1.00 0.93 H new ATOM 0 HG SER A 25 6.738 4.780 -26.552 1.00 0.92 H new ATOM 348 N ILE A 26 4.003 1.548 -23.350 1.00 0.80 N ATOM 349 CA ILE A 26 3.313 1.822 -22.099 1.00 0.73 C ATOM 350 C ILE A 26 4.002 1.126 -20.933 1.00 0.68 C ATOM 351 O ILE A 26 4.812 0.220 -21.128 1.00 0.75 O ATOM 352 CB ILE A 26 1.838 1.373 -22.171 1.00 0.85 C ATOM 353 CG1 ILE A 26 0.987 2.162 -21.178 1.00 0.80 C ATOM 354 CG2 ILE A 26 1.715 -0.119 -21.906 1.00 0.93 C ATOM 355 CD1 ILE A 26 -0.499 2.020 -21.423 1.00 0.88 C ATOM 0 H ILE A 26 3.897 0.592 -23.690 1.00 0.80 H new ATOM 0 HA ILE A 26 3.346 2.899 -21.937 1.00 0.73 H new ATOM 0 HB ILE A 26 1.471 1.574 -23.178 1.00 0.85 H new ATOM 0 HG12 ILE A 26 1.216 1.827 -20.166 1.00 0.80 H new ATOM 0 HG13 ILE A 26 1.259 3.216 -21.233 1.00 0.80 H new ATOM 0 HG21 ILE A 26 0.667 -0.413 -21.962 1.00 0.93 H new ATOM 0 HG22 ILE A 26 2.287 -0.670 -22.653 1.00 0.93 H new ATOM 0 HG23 ILE A 26 2.103 -0.345 -20.913 1.00 0.93 H new ATOM 0 HD11 ILE A 26 -1.047 2.604 -20.684 1.00 0.88 H new ATOM 0 HD12 ILE A 26 -0.739 2.382 -22.423 1.00 0.88 H new ATOM 0 HD13 ILE A 26 -0.783 0.971 -21.339 1.00 0.88 H new ATOM 367 N CYS A 27 3.672 1.542 -19.721 1.00 0.63 N ATOM 368 CA CYS A 27 4.261 0.951 -18.533 1.00 0.66 C ATOM 369 C CYS A 27 3.367 1.167 -17.321 1.00 0.67 C ATOM 370 O CYS A 27 2.533 2.072 -17.307 1.00 0.69 O ATOM 371 CB CYS A 27 5.640 1.548 -18.280 1.00 0.64 C ATOM 372 SG CYS A 27 7.022 0.413 -18.617 1.00 0.77 S ATOM 0 H CYS A 27 3.000 2.286 -19.535 1.00 0.63 H new ATOM 0 HA CYS A 27 4.362 -0.122 -18.698 1.00 0.66 H new ATOM 0 HB2 CYS A 27 5.757 2.438 -18.899 1.00 0.64 H new ATOM 0 HB3 CYS A 27 5.697 1.873 -17.241 1.00 0.64 H new ATOM 377 N CYS A 28 3.536 0.329 -16.310 1.00 0.72 N ATOM 378 CA CYS A 28 2.737 0.433 -15.102 1.00 0.79 C ATOM 379 C CYS A 28 3.459 -0.160 -13.904 1.00 0.83 C ATOM 380 O CYS A 28 3.964 -1.286 -13.962 1.00 0.97 O ATOM 381 CB CYS A 28 1.398 -0.259 -15.309 1.00 0.92 C ATOM 382 SG CYS A 28 -0.030 0.689 -14.706 1.00 1.18 S ATOM 0 H CYS A 28 4.218 -0.429 -16.303 1.00 0.72 H new ATOM 0 HA CYS A 28 2.569 1.490 -14.895 1.00 0.79 H new ATOM 0 HB2 CYS A 28 1.265 -0.458 -16.372 1.00 0.92 H new ATOM 0 HB3 CYS A 28 1.419 -1.225 -14.804 1.00 0.92 H new ATOM 387 N GLY A 29 3.493 0.583 -12.820 1.00 0.81 N ATOM 388 CA GLY A 29 4.143 0.106 -11.609 1.00 0.86 C ATOM 389 C GLY A 29 3.309 0.352 -10.364 1.00 0.99 C ATOM 390 O GLY A 29 2.485 1.267 -10.334 1.00 1.07 O ATOM 0 H GLY A 29 3.083 1.514 -12.747 1.00 0.81 H new ATOM 0 HA2 GLY A 29 4.342 -0.962 -11.704 1.00 0.86 H new ATOM 0 HA3 GLY A 29 5.108 0.601 -11.499 1.00 0.86 H new ATOM 394 N ASP A 30 3.528 -0.457 -9.333 1.00 1.03 N ATOM 395 CA ASP A 30 2.770 -0.333 -8.091 1.00 1.16 C ATOM 396 C ASP A 30 2.850 1.098 -7.557 1.00 1.15 C ATOM 397 O ASP A 30 1.930 1.892 -7.782 1.00 1.19 O ATOM 398 CB ASP A 30 3.332 -1.309 -7.041 1.00 1.25 C ATOM 399 CG ASP A 30 2.348 -2.404 -6.684 1.00 1.69 C ATOM 400 OD1 ASP A 30 2.281 -3.408 -7.424 1.00 2.22 O ATOM 401 OD2 ASP A 30 1.645 -2.258 -5.663 1.00 2.11 O ATOM 0 H ASP A 30 4.222 -1.204 -9.331 1.00 1.03 H new ATOM 0 HA ASP A 30 1.726 -0.575 -8.292 1.00 1.16 H new ATOM 0 HB2 ASP A 30 4.249 -1.759 -7.421 1.00 1.25 H new ATOM 0 HB3 ASP A 30 3.598 -0.756 -6.140 1.00 1.25 H new ATOM 406 N GLU A 31 3.939 1.431 -6.880 1.00 1.11 N ATOM 407 CA GLU A 31 4.133 2.773 -6.343 1.00 1.13 C ATOM 408 C GLU A 31 4.548 3.741 -7.449 1.00 1.05 C ATOM 409 O GLU A 31 4.759 4.929 -7.208 1.00 1.10 O ATOM 410 CB GLU A 31 5.184 2.751 -5.233 1.00 1.14 C ATOM 411 CG GLU A 31 6.557 2.293 -5.705 1.00 1.03 C ATOM 412 CD GLU A 31 7.654 3.284 -5.363 1.00 1.03 C ATOM 413 OE1 GLU A 31 8.095 3.304 -4.195 1.00 1.33 O ATOM 414 OE2 GLU A 31 8.071 4.040 -6.266 1.00 1.58 O ATOM 0 H GLU A 31 4.707 0.787 -6.688 1.00 1.11 H new ATOM 0 HA GLU A 31 3.188 3.117 -5.924 1.00 1.13 H new ATOM 0 HB2 GLU A 31 5.270 3.750 -4.805 1.00 1.14 H new ATOM 0 HB3 GLU A 31 4.844 2.091 -4.435 1.00 1.14 H new ATOM 0 HG2 GLU A 31 6.790 1.329 -5.252 1.00 1.03 H new ATOM 0 HG3 GLU A 31 6.534 2.141 -6.784 1.00 1.03 H new ATOM 421 N LEU A 32 4.691 3.210 -8.669 1.00 0.96 N ATOM 422 CA LEU A 32 5.114 3.985 -9.811 1.00 0.88 C ATOM 423 C LEU A 32 3.926 4.612 -10.529 1.00 0.88 C ATOM 424 O LEU A 32 4.015 5.722 -11.051 1.00 0.84 O ATOM 425 CB LEU A 32 5.848 3.059 -10.784 1.00 0.81 C ATOM 426 CG LEU A 32 7.309 3.387 -11.080 1.00 0.76 C ATOM 427 CD1 LEU A 32 7.739 2.684 -12.353 1.00 0.73 C ATOM 428 CD2 LEU A 32 7.534 4.890 -11.190 1.00 0.77 C ATOM 0 H LEU A 32 4.513 2.228 -8.879 1.00 0.96 H new ATOM 0 HA LEU A 32 5.766 4.787 -9.464 1.00 0.88 H new ATOM 0 HB2 LEU A 32 5.802 2.045 -10.387 1.00 0.81 H new ATOM 0 HB3 LEU A 32 5.303 3.058 -11.728 1.00 0.81 H new ATOM 0 HG LEU A 32 7.918 3.031 -10.249 1.00 0.76 H new ATOM 0 HD11 LEU A 32 8.782 2.919 -12.564 1.00 0.73 H new ATOM 0 HD12 LEU A 32 7.627 1.607 -12.229 1.00 0.73 H new ATOM 0 HD13 LEU A 32 7.117 3.020 -13.182 1.00 0.73 H new ATOM 0 HD21 LEU A 32 8.585 5.086 -11.401 1.00 0.77 H new ATOM 0 HD22 LEU A 32 6.921 5.292 -11.997 1.00 0.77 H new ATOM 0 HD23 LEU A 32 7.257 5.369 -10.251 1.00 0.77 H new ATOM 440 N GLY A 33 2.818 3.879 -10.567 1.00 1.01 N ATOM 441 CA GLY A 33 1.636 4.348 -11.262 1.00 1.04 C ATOM 442 C GLY A 33 1.593 3.794 -12.668 1.00 0.88 C ATOM 443 O GLY A 33 2.025 2.667 -12.901 1.00 0.81 O ATOM 0 H GLY A 33 2.719 2.964 -10.126 1.00 1.01 H new ATOM 0 HA2 GLY A 33 0.742 4.044 -10.718 1.00 1.04 H new ATOM 0 HA3 GLY A 33 1.634 5.438 -11.294 1.00 1.04 H new ATOM 447 N CYS A 34 1.079 4.562 -13.610 1.00 0.91 N ATOM 448 CA CYS A 34 0.995 4.088 -14.988 1.00 0.81 C ATOM 449 C CYS A 34 1.452 5.162 -15.962 1.00 0.78 C ATOM 450 O CYS A 34 1.035 6.315 -15.875 1.00 0.95 O ATOM 451 CB CYS A 34 -0.418 3.619 -15.343 1.00 0.96 C ATOM 452 SG CYS A 34 -0.443 2.007 -16.194 1.00 0.98 S ATOM 0 H CYS A 34 0.717 5.503 -13.456 1.00 0.91 H new ATOM 0 HA CYS A 34 1.663 3.231 -15.072 1.00 0.81 H new ATOM 0 HB2 CYS A 34 -1.012 3.551 -14.431 1.00 0.96 H new ATOM 0 HB3 CYS A 34 -0.894 4.366 -15.978 1.00 0.96 H new ATOM 457 N PHE A 35 2.331 4.763 -16.887 1.00 0.67 N ATOM 458 CA PHE A 35 2.865 5.676 -17.871 1.00 0.67 C ATOM 459 C PHE A 35 2.653 5.142 -19.280 1.00 0.65 C ATOM 460 O PHE A 35 2.738 3.937 -19.518 1.00 0.74 O ATOM 461 CB PHE A 35 4.355 5.902 -17.620 1.00 0.61 C ATOM 462 CG PHE A 35 4.715 6.047 -16.167 1.00 0.65 C ATOM 463 CD1 PHE A 35 4.717 4.947 -15.324 1.00 0.64 C ATOM 464 CD2 PHE A 35 5.053 7.288 -15.648 1.00 0.80 C ATOM 465 CE1 PHE A 35 5.052 5.081 -13.990 1.00 0.76 C ATOM 466 CE2 PHE A 35 5.391 7.425 -14.314 1.00 0.89 C ATOM 467 CZ PHE A 35 5.390 6.319 -13.484 1.00 0.86 C ATOM 0 H PHE A 35 2.681 3.808 -16.965 1.00 0.67 H new ATOM 0 HA PHE A 35 2.335 6.624 -17.780 1.00 0.67 H new ATOM 0 HB2 PHE A 35 4.915 5.067 -18.041 1.00 0.61 H new ATOM 0 HB3 PHE A 35 4.671 6.799 -18.153 1.00 0.61 H new ATOM 0 HD1 PHE A 35 4.454 3.975 -15.714 1.00 0.64 H new ATOM 0 HD2 PHE A 35 5.052 8.155 -16.292 1.00 0.80 H new ATOM 0 HE1 PHE A 35 5.049 4.216 -13.343 1.00 0.76 H new ATOM 0 HE2 PHE A 35 5.656 8.395 -13.921 1.00 0.89 H new ATOM 0 HZ PHE A 35 5.653 6.424 -12.442 1.00 0.86 H new ATOM 477 N VAL A 36 2.391 6.049 -20.214 1.00 0.72 N ATOM 478 CA VAL A 36 2.183 5.677 -21.608 1.00 0.75 C ATOM 479 C VAL A 36 3.044 6.541 -22.520 1.00 0.77 C ATOM 480 O VAL A 36 2.715 7.695 -22.792 1.00 0.87 O ATOM 481 CB VAL A 36 0.707 5.815 -22.029 1.00 0.85 C ATOM 482 CG1 VAL A 36 0.443 5.020 -23.299 1.00 0.91 C ATOM 483 CG2 VAL A 36 -0.215 5.362 -20.908 1.00 0.87 C ATOM 0 H VAL A 36 2.317 7.050 -20.030 1.00 0.72 H new ATOM 0 HA VAL A 36 2.470 4.630 -21.705 1.00 0.75 H new ATOM 0 HB VAL A 36 0.502 6.866 -22.232 1.00 0.85 H new ATOM 0 HG11 VAL A 36 -0.604 5.127 -23.584 1.00 0.91 H new ATOM 0 HG12 VAL A 36 1.078 5.395 -24.102 1.00 0.91 H new ATOM 0 HG13 VAL A 36 0.665 3.968 -23.122 1.00 0.91 H new ATOM 0 HG21 VAL A 36 -1.252 5.467 -21.225 1.00 0.87 H new ATOM 0 HG22 VAL A 36 -0.013 4.318 -20.670 1.00 0.87 H new ATOM 0 HG23 VAL A 36 -0.042 5.976 -20.024 1.00 0.87 H new ATOM 493 N GLY A 37 4.154 5.975 -22.976 1.00 0.75 N ATOM 494 CA GLY A 37 5.061 6.710 -23.841 1.00 0.81 C ATOM 495 C GLY A 37 5.821 7.780 -23.081 1.00 0.79 C ATOM 496 O GLY A 37 6.282 8.761 -23.665 1.00 0.95 O ATOM 0 H GLY A 37 4.444 5.020 -22.763 1.00 0.75 H new ATOM 0 HA2 GLY A 37 5.768 6.018 -24.299 1.00 0.81 H new ATOM 0 HA3 GLY A 37 4.497 7.171 -24.651 1.00 0.81 H new ATOM 500 N THR A 38 5.943 7.586 -21.769 1.00 0.80 N ATOM 501 CA THR A 38 6.640 8.534 -20.907 1.00 0.89 C ATOM 502 C THR A 38 8.032 8.018 -20.542 1.00 0.83 C ATOM 503 O THR A 38 8.354 6.854 -20.778 1.00 0.74 O ATOM 504 CB THR A 38 5.818 8.783 -19.638 1.00 0.93 C ATOM 505 OG1 THR A 38 4.431 8.728 -19.921 1.00 1.52 O ATOM 506 CG2 THR A 38 6.094 10.120 -18.989 1.00 1.22 C ATOM 0 H THR A 38 5.565 6.775 -21.279 1.00 0.80 H new ATOM 0 HA THR A 38 6.758 9.473 -21.448 1.00 0.89 H new ATOM 0 HB THR A 38 6.118 7.995 -18.947 1.00 0.93 H new ATOM 0 HG1 THR A 38 3.923 8.888 -19.098 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.476 10.226 -18.097 1.00 1.22 H new ATOM 0 HG22 THR A 38 7.146 10.179 -18.711 1.00 1.22 H new ATOM 0 HG23 THR A 38 5.859 10.920 -19.690 1.00 1.22 H new ATOM 514 N ALA A 39 8.851 8.895 -19.962 1.00 1.00 N ATOM 515 CA ALA A 39 10.212 8.538 -19.560 1.00 1.01 C ATOM 516 C ALA A 39 10.214 7.254 -18.736 1.00 0.82 C ATOM 517 O ALA A 39 11.104 6.417 -18.874 1.00 0.82 O ATOM 518 CB ALA A 39 10.856 9.685 -18.804 1.00 1.20 C ATOM 0 H ALA A 39 8.595 9.861 -19.759 1.00 1.00 H new ATOM 0 HA ALA A 39 10.804 8.352 -20.456 1.00 1.01 H new ATOM 0 HB1 ALA A 39 11.868 9.405 -18.511 1.00 1.20 H new ATOM 0 HB2 ALA A 39 10.894 10.567 -19.444 1.00 1.20 H new ATOM 0 HB3 ALA A 39 10.269 9.908 -17.913 1.00 1.20 H new ATOM 524 N GLU A 40 9.237 7.123 -17.848 1.00 0.75 N ATOM 525 CA GLU A 40 9.154 5.956 -16.978 1.00 0.61 C ATOM 526 C GLU A 40 8.479 4.798 -17.696 1.00 0.54 C ATOM 527 O GLU A 40 8.106 3.804 -17.074 1.00 0.57 O ATOM 528 CB GLU A 40 8.441 6.298 -15.669 1.00 0.70 C ATOM 529 CG GLU A 40 9.376 6.400 -14.473 1.00 0.71 C ATOM 530 CD GLU A 40 10.022 7.766 -14.350 1.00 0.86 C ATOM 531 OE1 GLU A 40 10.312 8.382 -15.397 1.00 1.65 O ATOM 532 OE2 GLU A 40 10.240 8.218 -13.207 1.00 1.23 O ATOM 0 H GLU A 40 8.493 7.807 -17.711 1.00 0.75 H new ATOM 0 HA GLU A 40 10.167 5.644 -16.725 1.00 0.61 H new ATOM 0 HB2 GLU A 40 7.914 7.245 -15.789 1.00 0.70 H new ATOM 0 HB3 GLU A 40 7.687 5.537 -15.466 1.00 0.70 H new ATOM 0 HG2 GLU A 40 8.819 6.183 -13.562 1.00 0.71 H new ATOM 0 HG3 GLU A 40 10.154 5.641 -14.559 1.00 0.71 H new ATOM 539 N ALA A 41 8.267 4.956 -19.009 1.00 0.59 N ATOM 540 CA ALA A 41 7.555 3.950 -19.787 1.00 0.58 C ATOM 541 C ALA A 41 8.370 3.540 -20.989 1.00 0.61 C ATOM 542 O ALA A 41 8.001 2.626 -21.735 1.00 0.62 O ATOM 543 CB ALA A 41 6.199 4.477 -20.259 1.00 0.65 C ATOM 0 H ALA A 41 8.578 5.766 -19.546 1.00 0.59 H new ATOM 0 HA ALA A 41 7.394 3.087 -19.141 1.00 0.58 H new ATOM 0 HB1 ALA A 41 5.690 3.706 -20.837 1.00 0.65 H new ATOM 0 HB2 ALA A 41 5.591 4.743 -19.394 1.00 0.65 H new ATOM 0 HB3 ALA A 41 6.348 5.358 -20.883 1.00 0.65 H new ATOM 549 N LEU A 42 9.534 4.153 -21.160 1.00 0.67 N ATOM 550 CA LEU A 42 10.435 3.808 -22.266 1.00 0.76 C ATOM 551 C LEU A 42 10.994 2.383 -22.159 1.00 0.80 C ATOM 552 O LEU A 42 11.663 1.902 -23.076 1.00 0.89 O ATOM 553 CB LEU A 42 11.618 4.798 -22.340 1.00 0.87 C ATOM 554 CG LEU A 42 12.441 5.013 -21.052 1.00 0.92 C ATOM 555 CD1 LEU A 42 12.214 3.906 -20.026 1.00 0.81 C ATOM 556 CD2 LEU A 42 13.922 5.118 -21.387 1.00 1.10 C ATOM 0 H LEU A 42 9.882 4.893 -20.550 1.00 0.67 H new ATOM 0 HA LEU A 42 9.832 3.869 -23.172 1.00 0.76 H new ATOM 0 HB2 LEU A 42 12.297 4.455 -23.121 1.00 0.87 H new ATOM 0 HB3 LEU A 42 11.229 5.765 -22.658 1.00 0.87 H new ATOM 0 HG LEU A 42 12.100 5.946 -20.604 1.00 0.92 H new ATOM 0 HD11 LEU A 42 12.815 4.104 -19.139 1.00 0.81 H new ATOM 0 HD12 LEU A 42 11.160 3.876 -19.751 1.00 0.81 H new ATOM 0 HD13 LEU A 42 12.505 2.947 -20.455 1.00 0.81 H new ATOM 0 HD21 LEU A 42 14.492 5.270 -20.471 1.00 1.10 H new ATOM 0 HD22 LEU A 42 14.251 4.199 -21.872 1.00 1.10 H new ATOM 0 HD23 LEU A 42 14.084 5.961 -22.059 1.00 1.10 H new ATOM 568 N ARG A 43 10.734 1.716 -21.041 1.00 0.76 N ATOM 569 CA ARG A 43 11.226 0.361 -20.835 1.00 0.85 C ATOM 570 C ARG A 43 10.767 -0.583 -21.941 1.00 0.92 C ATOM 571 O ARG A 43 11.392 -1.610 -22.179 1.00 1.07 O ATOM 572 CB ARG A 43 10.775 -0.172 -19.477 1.00 0.81 C ATOM 573 CG ARG A 43 11.933 -0.533 -18.564 1.00 0.96 C ATOM 574 CD ARG A 43 12.859 0.652 -18.344 1.00 1.00 C ATOM 575 NE ARG A 43 13.313 0.738 -16.958 1.00 1.35 N ATOM 576 CZ ARG A 43 14.586 0.895 -16.594 1.00 2.05 C ATOM 577 NH1 ARG A 43 15.547 0.985 -17.505 1.00 2.51 N ATOM 578 NH2 ARG A 43 14.899 0.963 -15.309 1.00 2.53 N ATOM 0 H ARG A 43 10.187 2.091 -20.266 1.00 0.76 H new ATOM 0 HA ARG A 43 12.315 0.405 -20.861 1.00 0.85 H new ATOM 0 HB2 ARG A 43 10.154 0.578 -18.987 1.00 0.81 H new ATOM 0 HB3 ARG A 43 10.151 -1.053 -19.628 1.00 0.81 H new ATOM 0 HG2 ARG A 43 11.547 -0.878 -17.605 1.00 0.96 H new ATOM 0 HG3 ARG A 43 12.495 -1.360 -18.997 1.00 0.96 H new ATOM 0 HD2 ARG A 43 13.722 0.566 -19.004 1.00 1.00 H new ATOM 0 HD3 ARG A 43 12.341 1.572 -18.614 1.00 1.00 H new ATOM 0 HE ARG A 43 12.611 0.674 -16.221 1.00 1.35 H new ATOM 0 HH11 ARG A 43 15.316 0.934 -18.497 1.00 2.51 H new ATOM 0 HH12 ARG A 43 16.517 1.105 -17.213 1.00 2.51 H new ATOM 0 HH21 ARG A 43 14.167 0.895 -14.602 1.00 2.53 H new ATOM 0 HH22 ARG A 43 15.872 1.083 -15.027 1.00 2.53 H new ATOM 592 N CYS A 44 9.687 -0.241 -22.629 1.00 0.87 N ATOM 593 CA CYS A 44 9.190 -1.097 -23.699 1.00 0.98 C ATOM 594 C CYS A 44 10.243 -1.294 -24.786 1.00 1.12 C ATOM 595 O CYS A 44 10.096 -2.158 -25.651 1.00 1.26 O ATOM 596 CB CYS A 44 7.896 -0.530 -24.288 1.00 0.96 C ATOM 597 SG CYS A 44 6.410 -0.984 -23.338 1.00 0.99 S ATOM 0 H CYS A 44 9.145 0.608 -22.470 1.00 0.87 H new ATOM 0 HA CYS A 44 8.971 -2.075 -23.271 1.00 0.98 H new ATOM 0 HB2 CYS A 44 7.971 0.556 -24.333 1.00 0.96 H new ATOM 0 HB3 CYS A 44 7.786 -0.885 -25.313 1.00 0.96 H new ATOM 602 N GLN A 45 11.320 -0.513 -24.724 1.00 1.13 N ATOM 603 CA GLN A 45 12.398 -0.638 -25.685 1.00 1.31 C ATOM 604 C GLN A 45 13.160 -1.951 -25.464 1.00 1.43 C ATOM 605 O GLN A 45 13.679 -2.529 -26.416 1.00 1.60 O ATOM 606 CB GLN A 45 13.350 0.560 -25.587 1.00 1.35 C ATOM 607 CG GLN A 45 13.203 1.537 -26.750 1.00 1.53 C ATOM 608 CD GLN A 45 13.308 3.004 -26.351 1.00 1.87 C ATOM 609 OE1 GLN A 45 13.630 3.852 -27.183 1.00 2.51 O ATOM 610 NE2 GLN A 45 13.032 3.323 -25.089 1.00 1.96 N ATOM 0 H GLN A 45 11.463 0.209 -24.018 1.00 1.13 H new ATOM 0 HA GLN A 45 11.968 -0.651 -26.687 1.00 1.31 H new ATOM 0 HB2 GLN A 45 13.166 1.088 -24.651 1.00 1.35 H new ATOM 0 HB3 GLN A 45 14.378 0.198 -25.552 1.00 1.35 H new ATOM 0 HG2 GLN A 45 13.970 1.318 -27.493 1.00 1.53 H new ATOM 0 HG3 GLN A 45 12.238 1.371 -27.230 1.00 1.53 H new ATOM 0 HE21 GLN A 45 12.768 2.595 -24.425 1.00 1.96 H new ATOM 0 HE22 GLN A 45 13.084 4.295 -24.786 1.00 1.96 H new ATOM 619 N GLU A 46 13.192 -2.436 -24.203 1.00 1.40 N ATOM 620 CA GLU A 46 13.848 -3.697 -23.915 1.00 1.60 C ATOM 621 C GLU A 46 13.004 -4.857 -24.436 1.00 1.70 C ATOM 622 O GLU A 46 13.521 -5.945 -24.692 1.00 1.91 O ATOM 623 CB GLU A 46 14.124 -3.865 -22.417 1.00 1.63 C ATOM 624 CG GLU A 46 12.947 -3.557 -21.509 1.00 2.17 C ATOM 625 CD GLU A 46 12.956 -4.375 -20.231 1.00 2.75 C ATOM 626 OE1 GLU A 46 13.858 -5.226 -20.073 1.00 3.12 O ATOM 627 OE2 GLU A 46 12.061 -4.162 -19.386 1.00 3.32 O ATOM 0 H GLU A 46 12.776 -1.973 -23.395 1.00 1.40 H new ATOM 0 HA GLU A 46 14.811 -3.697 -24.426 1.00 1.60 H new ATOM 0 HB2 GLU A 46 14.445 -4.891 -22.235 1.00 1.63 H new ATOM 0 HB3 GLU A 46 14.956 -3.217 -22.141 1.00 1.63 H new ATOM 0 HG2 GLU A 46 12.958 -2.497 -21.256 1.00 2.17 H new ATOM 0 HG3 GLU A 46 12.019 -3.746 -22.049 1.00 2.17 H new ATOM 634 N GLU A 47 11.711 -4.605 -24.625 1.00 1.60 N ATOM 635 CA GLU A 47 10.810 -5.619 -25.152 1.00 1.76 C ATOM 636 C GLU A 47 11.051 -5.795 -26.652 1.00 1.88 C ATOM 637 O GLU A 47 10.533 -6.721 -27.276 1.00 2.02 O ATOM 638 CB GLU A 47 9.358 -5.206 -24.897 1.00 1.73 C ATOM 639 CG GLU A 47 8.508 -6.299 -24.275 1.00 2.03 C ATOM 640 CD GLU A 47 7.030 -6.101 -24.545 1.00 2.42 C ATOM 641 OE1 GLU A 47 6.693 -5.490 -25.581 1.00 2.69 O ATOM 642 OE2 GLU A 47 6.211 -6.553 -23.720 1.00 3.07 O ATOM 0 H GLU A 47 11.268 -3.709 -24.421 1.00 1.60 H new ATOM 0 HA GLU A 47 11.001 -6.567 -24.649 1.00 1.76 H new ATOM 0 HB2 GLU A 47 9.348 -4.335 -24.242 1.00 1.73 H new ATOM 0 HB3 GLU A 47 8.906 -4.901 -25.841 1.00 1.73 H new ATOM 0 HG2 GLU A 47 8.820 -7.267 -24.667 1.00 2.03 H new ATOM 0 HG3 GLU A 47 8.679 -6.321 -23.199 1.00 2.03 H new ATOM 649 N ASN A 48 11.856 -4.892 -27.214 1.00 1.89 N ATOM 650 CA ASN A 48 12.197 -4.915 -28.629 1.00 2.07 C ATOM 651 C ASN A 48 13.241 -5.986 -28.926 1.00 2.15 C ATOM 652 O ASN A 48 13.365 -6.451 -30.059 1.00 2.37 O ATOM 653 CB ASN A 48 12.742 -3.546 -29.040 1.00 2.25 C ATOM 654 CG ASN A 48 12.280 -3.124 -30.415 1.00 2.66 C ATOM 655 OD1 ASN A 48 12.041 -3.960 -31.286 1.00 3.30 O ATOM 656 ND2 ASN A 48 12.152 -1.819 -30.615 1.00 2.78 N ATOM 0 H ASN A 48 12.288 -4.126 -26.697 1.00 1.89 H new ATOM 0 HA ASN A 48 11.296 -5.148 -29.197 1.00 2.07 H new ATOM 0 HB2 ASN A 48 12.427 -2.800 -28.310 1.00 2.25 H new ATOM 0 HB3 ASN A 48 13.831 -3.572 -29.019 1.00 2.25 H new ATOM 0 HD21 ASN A 48 11.843 -1.470 -31.522 1.00 2.78 H new ATOM 0 HD22 ASN A 48 12.362 -1.165 -29.861 1.00 2.78 H new ATOM 663 N TYR A 49 13.995 -6.367 -27.901 1.00 2.11 N ATOM 664 CA TYR A 49 15.040 -7.370 -28.048 1.00 2.39 C ATOM 665 C TYR A 49 14.467 -8.774 -28.112 1.00 2.39 C ATOM 666 O TYR A 49 14.561 -9.450 -29.136 1.00 2.81 O ATOM 667 CB TYR A 49 16.025 -7.282 -26.882 1.00 2.61 C ATOM 668 CG TYR A 49 16.829 -6.003 -26.850 1.00 3.10 C ATOM 669 CD1 TYR A 49 16.798 -5.103 -27.912 1.00 3.52 C ATOM 670 CD2 TYR A 49 17.623 -5.696 -25.753 1.00 3.72 C ATOM 671 CE1 TYR A 49 17.534 -3.939 -27.879 1.00 4.20 C ATOM 672 CE2 TYR A 49 18.362 -4.533 -25.714 1.00 4.39 C ATOM 673 CZ TYR A 49 18.314 -3.659 -26.778 1.00 4.52 C ATOM 674 OH TYR A 49 19.048 -2.499 -26.742 1.00 5.34 O ATOM 0 H TYR A 49 13.900 -5.994 -26.956 1.00 2.11 H new ATOM 0 HA TYR A 49 15.555 -7.166 -28.987 1.00 2.39 H new ATOM 0 HB2 TYR A 49 15.474 -7.376 -25.946 1.00 2.61 H new ATOM 0 HB3 TYR A 49 16.710 -8.128 -26.934 1.00 2.61 H new ATOM 0 HD1 TYR A 49 16.187 -5.321 -28.776 1.00 3.52 H new ATOM 0 HD2 TYR A 49 17.662 -6.379 -24.917 1.00 3.72 H new ATOM 0 HE1 TYR A 49 17.500 -3.251 -28.710 1.00 4.20 H new ATOM 0 HE2 TYR A 49 18.975 -4.308 -24.854 1.00 4.39 H new ATOM 0 HH TYR A 49 19.542 -2.451 -25.897 1.00 5.34 H new ATOM 684 N LEU A 50 13.911 -9.223 -26.998 1.00 2.28 N ATOM 685 CA LEU A 50 13.368 -10.566 -26.919 1.00 2.45 C ATOM 686 C LEU A 50 11.845 -10.598 -26.981 1.00 2.07 C ATOM 687 O LEU A 50 11.173 -10.205 -26.027 1.00 2.16 O ATOM 688 CB LEU A 50 13.834 -11.232 -25.624 1.00 3.12 C ATOM 689 CG LEU A 50 15.210 -11.896 -25.701 1.00 3.81 C ATOM 690 CD1 LEU A 50 16.265 -11.024 -25.038 1.00 4.23 C ATOM 691 CD2 LEU A 50 15.174 -13.275 -25.059 1.00 4.25 C ATOM 0 H LEU A 50 13.825 -8.678 -26.140 1.00 2.28 H new ATOM 0 HA LEU A 50 13.738 -11.109 -27.789 1.00 2.45 H new ATOM 0 HB2 LEU A 50 13.852 -10.482 -24.833 1.00 3.12 H new ATOM 0 HB3 LEU A 50 13.100 -11.984 -25.334 1.00 3.12 H new ATOM 0 HG LEU A 50 15.475 -12.013 -26.752 1.00 3.81 H new ATOM 0 HD11 LEU A 50 17.236 -11.514 -25.104 1.00 4.23 H new ATOM 0 HD12 LEU A 50 16.310 -10.060 -25.544 1.00 4.23 H new ATOM 0 HD13 LEU A 50 16.005 -10.872 -23.990 1.00 4.23 H new ATOM 0 HD21 LEU A 50 16.161 -13.732 -25.123 1.00 4.25 H new ATOM 0 HD22 LEU A 50 14.885 -13.182 -24.012 1.00 4.25 H new ATOM 0 HD23 LEU A 50 14.450 -13.901 -25.581 1.00 4.25 H new ATOM 703 N PRO A 51 11.271 -11.146 -28.075 1.00 2.19 N ATOM 704 CA PRO A 51 9.829 -11.303 -28.190 1.00 2.20 C ATOM 705 C PRO A 51 9.406 -12.230 -27.080 1.00 1.98 C ATOM 706 O PRO A 51 9.436 -13.451 -27.237 1.00 2.19 O ATOM 707 CB PRO A 51 9.617 -11.958 -29.563 1.00 2.87 C ATOM 708 CG PRO A 51 10.907 -11.764 -30.281 1.00 3.32 C ATOM 709 CD PRO A 51 11.973 -11.730 -29.222 1.00 2.88 C ATOM 0 HA PRO A 51 9.261 -10.376 -28.112 1.00 2.20 H new ATOM 0 HB2 PRO A 51 9.375 -13.016 -29.463 1.00 2.87 H new ATOM 0 HB3 PRO A 51 8.791 -11.492 -30.100 1.00 2.87 H new ATOM 0 HG2 PRO A 51 11.085 -12.575 -30.988 1.00 3.32 H new ATOM 0 HG3 PRO A 51 10.898 -10.837 -30.855 1.00 3.32 H new ATOM 0 HD2 PRO A 51 12.354 -12.727 -28.999 1.00 2.88 H new ATOM 0 HD3 PRO A 51 12.826 -11.124 -29.526 1.00 2.88 H new ATOM 717 N SER A 52 9.106 -11.658 -25.928 1.00 2.21 N ATOM 718 CA SER A 52 8.780 -12.468 -24.776 1.00 2.45 C ATOM 719 C SER A 52 7.351 -12.285 -24.307 1.00 2.35 C ATOM 720 O SER A 52 6.876 -11.163 -24.128 1.00 2.66 O ATOM 721 CB SER A 52 9.737 -12.151 -23.622 1.00 3.27 C ATOM 722 OG SER A 52 11.085 -12.168 -24.055 1.00 3.75 O ATOM 0 H SER A 52 9.082 -10.651 -25.769 1.00 2.21 H new ATOM 0 HA SER A 52 8.889 -13.507 -25.087 1.00 2.45 H new ATOM 0 HB2 SER A 52 9.498 -11.172 -23.207 1.00 3.27 H new ATOM 0 HB3 SER A 52 9.600 -12.879 -22.822 1.00 3.27 H new ATOM 0 HG SER A 52 11.246 -11.409 -24.653 1.00 3.75 H new ATOM 728 N PRO A 53 6.670 -13.407 -24.033 1.00 2.57 N ATOM 729 CA PRO A 53 5.323 -13.388 -23.502 1.00 2.92 C ATOM 730 C PRO A 53 5.409 -12.986 -22.048 1.00 2.44 C ATOM 731 O PRO A 53 6.504 -12.694 -21.567 1.00 2.91 O ATOM 732 CB PRO A 53 4.854 -14.832 -23.656 1.00 3.90 C ATOM 733 CG PRO A 53 6.102 -15.639 -23.579 1.00 3.98 C ATOM 734 CD PRO A 53 7.199 -14.779 -24.150 1.00 3.15 C ATOM 0 HA PRO A 53 4.643 -12.695 -23.997 1.00 2.92 H new ATOM 0 HB2 PRO A 53 4.154 -15.108 -22.868 1.00 3.90 H new ATOM 0 HB3 PRO A 53 4.341 -14.984 -24.606 1.00 3.90 H new ATOM 0 HG2 PRO A 53 6.322 -15.916 -22.548 1.00 3.98 H new ATOM 0 HG3 PRO A 53 6.001 -16.566 -24.144 1.00 3.98 H new ATOM 0 HD2 PRO A 53 8.130 -14.897 -23.595 1.00 3.15 H new ATOM 0 HD3 PRO A 53 7.411 -15.038 -25.187 1.00 3.15 H new ATOM 742 N CYS A 54 4.298 -12.973 -21.327 1.00 1.99 N ATOM 743 CA CYS A 54 4.341 -12.600 -19.916 1.00 1.82 C ATOM 744 C CYS A 54 2.979 -12.233 -19.391 1.00 1.56 C ATOM 745 O CYS A 54 2.388 -11.259 -19.855 1.00 2.19 O ATOM 746 CB CYS A 54 5.236 -11.393 -19.725 1.00 2.46 C ATOM 747 SG CYS A 54 4.961 -10.094 -20.975 1.00 2.95 S ATOM 0 H CYS A 54 3.372 -13.211 -21.683 1.00 1.99 H new ATOM 0 HA CYS A 54 4.720 -13.466 -19.374 1.00 1.82 H new ATOM 0 HB2 CYS A 54 5.066 -10.976 -18.732 1.00 2.46 H new ATOM 0 HB3 CYS A 54 6.278 -11.711 -19.763 1.00 2.46 H new ATOM 752 N GLN A 55 2.503 -12.984 -18.401 1.00 1.26 N ATOM 753 CA GLN A 55 1.209 -12.719 -17.785 1.00 1.56 C ATOM 754 C GLN A 55 0.277 -12.019 -18.792 1.00 1.89 C ATOM 755 O GLN A 55 0.426 -12.235 -19.996 1.00 2.41 O ATOM 756 CB GLN A 55 1.450 -11.990 -16.439 1.00 1.92 C ATOM 757 CG GLN A 55 1.179 -10.495 -16.368 1.00 2.68 C ATOM 758 CD GLN A 55 0.233 -10.167 -15.226 1.00 3.46 C ATOM 759 OE1 GLN A 55 0.512 -9.303 -14.401 1.00 3.99 O ATOM 760 NE2 GLN A 55 -0.880 -10.887 -15.151 1.00 4.05 N ATOM 0 H GLN A 55 2.998 -13.784 -18.008 1.00 1.26 H new ATOM 0 HA GLN A 55 0.671 -13.632 -17.530 1.00 1.56 H new ATOM 0 HB2 GLN A 55 0.833 -12.476 -15.683 1.00 1.92 H new ATOM 0 HB3 GLN A 55 2.490 -12.153 -16.155 1.00 1.92 H new ATOM 0 HG2 GLN A 55 2.118 -9.958 -16.233 1.00 2.68 H new ATOM 0 HG3 GLN A 55 0.749 -10.155 -17.310 1.00 2.68 H new ATOM 0 HE21 GLN A 55 -1.077 -11.597 -15.857 1.00 4.05 H new ATOM 0 HE22 GLN A 55 -1.538 -10.730 -14.388 1.00 4.05 H new ATOM 769 N SER A 56 -0.691 -11.227 -18.368 1.00 2.16 N ATOM 770 CA SER A 56 -1.574 -10.596 -19.341 1.00 2.63 C ATOM 771 C SER A 56 -2.517 -9.604 -18.677 1.00 2.60 C ATOM 772 O SER A 56 -2.266 -9.166 -17.555 1.00 2.97 O ATOM 773 CB SER A 56 -2.346 -11.677 -20.109 1.00 3.33 C ATOM 774 OG SER A 56 -3.667 -11.831 -19.623 1.00 3.68 O ATOM 0 H SER A 56 -0.885 -11.008 -17.391 1.00 2.16 H new ATOM 0 HA SER A 56 -0.969 -10.028 -20.047 1.00 2.63 H new ATOM 0 HB2 SER A 56 -2.377 -11.418 -21.167 1.00 3.33 H new ATOM 0 HB3 SER A 56 -1.817 -12.627 -20.029 1.00 3.33 H new ATOM 0 HG SER A 56 -4.126 -12.527 -20.138 1.00 3.68 H new ATOM 780 N GLY A 57 -3.592 -9.242 -19.382 1.00 2.68 N ATOM 781 CA GLY A 57 -4.558 -8.289 -18.848 1.00 2.83 C ATOM 782 C GLY A 57 -4.693 -8.369 -17.339 1.00 2.31 C ATOM 783 O GLY A 57 -4.523 -9.438 -16.753 1.00 2.32 O ATOM 0 H GLY A 57 -3.811 -9.592 -20.315 1.00 2.68 H new ATOM 0 HA2 GLY A 57 -4.258 -7.279 -19.128 1.00 2.83 H new ATOM 0 HA3 GLY A 57 -5.531 -8.470 -19.305 1.00 2.83 H new ATOM 787 N GLN A 58 -4.990 -7.239 -16.710 1.00 2.28 N ATOM 788 CA GLN A 58 -5.140 -7.191 -15.266 1.00 2.18 C ATOM 789 C GLN A 58 -6.587 -6.895 -14.894 1.00 1.88 C ATOM 790 O GLN A 58 -6.977 -5.737 -14.751 1.00 1.97 O ATOM 791 CB GLN A 58 -4.212 -6.134 -14.660 1.00 2.80 C ATOM 792 CG GLN A 58 -3.176 -6.702 -13.697 1.00 3.41 C ATOM 793 CD GLN A 58 -3.799 -7.170 -12.397 1.00 4.07 C ATOM 794 OE1 GLN A 58 -4.881 -6.718 -12.023 1.00 4.40 O ATOM 795 NE2 GLN A 58 -3.124 -8.076 -11.698 1.00 4.64 N ATOM 0 H GLN A 58 -5.131 -6.345 -17.180 1.00 2.28 H new ATOM 0 HA GLN A 58 -4.865 -8.165 -14.861 1.00 2.18 H new ATOM 0 HB2 GLN A 58 -3.697 -5.612 -15.466 1.00 2.80 H new ATOM 0 HB3 GLN A 58 -4.815 -5.393 -14.134 1.00 2.80 H new ATOM 0 HG2 GLN A 58 -2.660 -7.537 -14.172 1.00 3.41 H new ATOM 0 HG3 GLN A 58 -2.424 -5.942 -13.485 1.00 3.41 H new ATOM 0 HE21 GLN A 58 -2.230 -8.425 -12.044 1.00 4.64 H new ATOM 0 HE22 GLN A 58 -3.500 -8.423 -10.815 1.00 4.64 H new ATOM 804 N LYS A 59 -7.367 -7.954 -14.693 1.00 1.98 N ATOM 805 CA LYS A 59 -8.804 -7.864 -14.431 1.00 1.95 C ATOM 806 C LYS A 59 -9.418 -6.562 -14.983 1.00 1.58 C ATOM 807 O LYS A 59 -9.418 -5.499 -14.399 1.00 1.34 O ATOM 808 CB LYS A 59 -8.980 -7.920 -12.862 1.00 2.33 C ATOM 809 CG LYS A 59 -9.052 -6.574 -12.125 1.00 2.81 C ATOM 810 CD LYS A 59 -8.107 -6.509 -10.930 1.00 3.48 C ATOM 811 CE LYS A 59 -8.595 -7.354 -9.765 1.00 4.20 C ATOM 812 NZ LYS A 59 -9.654 -6.658 -8.985 1.00 4.66 N ATOM 0 H LYS A 59 -7.016 -8.912 -14.707 1.00 1.98 H new ATOM 0 HA LYS A 59 -9.321 -8.683 -14.931 1.00 1.95 H new ATOM 0 HB2 LYS A 59 -9.891 -8.477 -12.642 1.00 2.33 H new ATOM 0 HB3 LYS A 59 -8.149 -8.491 -12.447 1.00 2.33 H new ATOM 0 HG2 LYS A 59 -8.809 -5.770 -12.820 1.00 2.81 H new ATOM 0 HG3 LYS A 59 -10.074 -6.404 -11.785 1.00 2.81 H new ATOM 0 HD2 LYS A 59 -7.117 -6.849 -11.233 1.00 3.48 H new ATOM 0 HD3 LYS A 59 -8.003 -5.473 -10.607 1.00 3.48 H new ATOM 0 HE2 LYS A 59 -8.983 -8.301 -10.140 1.00 4.20 H new ATOM 0 HE3 LYS A 59 -7.756 -7.590 -9.110 1.00 4.20 H new ATOM 0 HZ1 LYS A 59 -9.962 -7.265 -8.199 1.00 4.66 H new ATOM 0 HZ2 LYS A 59 -9.277 -5.766 -8.606 1.00 4.66 H new ATOM 0 HZ3 LYS A 59 -10.465 -6.456 -9.604 1.00 4.66 H new ATOM 826 N PRO A 60 -9.938 -6.672 -16.244 1.00 1.60 N ATOM 827 CA PRO A 60 -10.535 -5.535 -16.948 1.00 1.33 C ATOM 828 C PRO A 60 -11.570 -4.768 -16.085 1.00 1.05 C ATOM 829 O PRO A 60 -12.248 -5.375 -15.269 1.00 1.19 O ATOM 830 CB PRO A 60 -11.202 -6.177 -18.167 1.00 1.52 C ATOM 831 CG PRO A 60 -10.401 -7.402 -18.428 1.00 1.90 C ATOM 832 CD PRO A 60 -9.949 -7.897 -17.078 1.00 1.96 C ATOM 0 HA PRO A 60 -9.789 -4.783 -17.206 1.00 1.33 H new ATOM 0 HB2 PRO A 60 -12.245 -6.420 -17.966 1.00 1.52 H new ATOM 0 HB3 PRO A 60 -11.191 -5.505 -19.025 1.00 1.52 H new ATOM 0 HG2 PRO A 60 -10.998 -8.157 -18.941 1.00 1.90 H new ATOM 0 HG3 PRO A 60 -9.547 -7.181 -19.069 1.00 1.90 H new ATOM 0 HD2 PRO A 60 -10.630 -8.648 -16.678 1.00 1.96 H new ATOM 0 HD3 PRO A 60 -8.962 -8.356 -17.129 1.00 1.96 H new ATOM 840 N CYS A 61 -11.716 -3.438 -16.384 1.00 0.79 N ATOM 841 CA CYS A 61 -12.664 -2.623 -15.713 1.00 0.71 C ATOM 842 C CYS A 61 -13.427 -1.843 -16.723 1.00 0.80 C ATOM 843 O CYS A 61 -13.008 -1.691 -17.894 1.00 0.98 O ATOM 844 CB CYS A 61 -11.979 -1.731 -14.692 1.00 0.74 C ATOM 845 SG CYS A 61 -10.248 -1.309 -15.097 1.00 0.59 S ATOM 0 H CYS A 61 -11.168 -2.950 -17.092 1.00 0.79 H new ATOM 0 HA CYS A 61 -13.365 -3.245 -15.157 1.00 0.71 H new ATOM 0 HB2 CYS A 61 -12.551 -0.809 -14.592 1.00 0.74 H new ATOM 0 HB3 CYS A 61 -12.002 -2.227 -13.722 1.00 0.74 H new ATOM 850 N GLY A 62 -14.504 -1.291 -16.296 1.00 0.99 N ATOM 851 CA GLY A 62 -15.354 -0.469 -17.211 1.00 1.29 C ATOM 852 C GLY A 62 -14.957 1.000 -17.242 1.00 1.20 C ATOM 853 O GLY A 62 -15.755 1.865 -17.613 1.00 1.28 O ATOM 0 H GLY A 62 -14.851 -1.366 -15.340 1.00 0.99 H new ATOM 0 HA2 GLY A 62 -15.290 -0.877 -18.220 1.00 1.29 H new ATOM 0 HA3 GLY A 62 -16.395 -0.551 -16.900 1.00 1.29 H new ATOM 857 N SER A 63 -13.727 1.296 -16.838 1.00 1.08 N ATOM 858 CA SER A 63 -13.246 2.665 -16.828 1.00 1.05 C ATOM 859 C SER A 63 -12.308 2.935 -18.001 1.00 1.06 C ATOM 860 O SER A 63 -11.572 3.920 -17.998 1.00 1.00 O ATOM 861 CB SER A 63 -12.547 2.980 -15.499 1.00 0.88 C ATOM 862 OG SER A 63 -11.888 4.238 -15.546 1.00 0.96 O ATOM 0 H SER A 63 -13.049 0.606 -16.515 1.00 1.08 H new ATOM 0 HA SER A 63 -14.110 3.321 -16.934 1.00 1.05 H new ATOM 0 HB2 SER A 63 -13.280 2.981 -14.692 1.00 0.88 H new ATOM 0 HB3 SER A 63 -11.824 2.197 -15.272 1.00 0.88 H new ATOM 0 HG SER A 63 -11.279 4.260 -16.314 1.00 0.96 H new ATOM 868 N GLY A 64 -12.356 2.073 -19.018 1.00 1.26 N ATOM 869 CA GLY A 64 -11.518 2.269 -20.186 1.00 1.46 C ATOM 870 C GLY A 64 -10.322 1.309 -20.310 1.00 1.29 C ATOM 871 O GLY A 64 -9.407 1.600 -21.072 1.00 1.63 O ATOM 0 H GLY A 64 -12.957 1.249 -19.051 1.00 1.26 H new ATOM 0 HA2 GLY A 64 -12.137 2.168 -21.077 1.00 1.46 H new ATOM 0 HA3 GLY A 64 -11.141 3.292 -20.174 1.00 1.46 H new ATOM 875 N GLY A 65 -10.294 0.233 -19.503 1.00 0.94 N ATOM 876 CA GLY A 65 -9.146 -0.668 -19.544 1.00 1.02 C ATOM 877 C GLY A 65 -9.048 -1.568 -18.355 1.00 0.83 C ATOM 878 O GLY A 65 -10.055 -2.127 -17.906 1.00 0.73 O ATOM 0 H GLY A 65 -11.027 -0.022 -18.841 1.00 0.94 H new ATOM 0 HA2 GLY A 65 -9.205 -1.277 -20.446 1.00 1.02 H new ATOM 0 HA3 GLY A 65 -8.233 -0.077 -19.618 1.00 1.02 H new ATOM 882 N ARG A 66 -7.787 -1.877 -17.953 1.00 0.96 N ATOM 883 CA ARG A 66 -7.527 -2.863 -16.912 1.00 0.96 C ATOM 884 C ARG A 66 -7.036 -2.146 -15.693 1.00 0.82 C ATOM 885 O ARG A 66 -6.427 -1.071 -15.807 1.00 0.82 O ATOM 886 CB ARG A 66 -6.536 -3.943 -17.399 1.00 1.26 C ATOM 887 CG ARG A 66 -6.726 -4.367 -18.847 1.00 1.56 C ATOM 888 CD ARG A 66 -7.988 -5.192 -19.022 1.00 1.70 C ATOM 889 NE ARG A 66 -7.913 -6.062 -20.195 1.00 2.10 N ATOM 890 CZ ARG A 66 -8.402 -5.744 -21.390 1.00 2.42 C ATOM 891 NH1 ARG A 66 -8.986 -4.569 -21.587 1.00 2.77 N ATOM 892 NH2 ARG A 66 -8.302 -6.603 -22.395 1.00 2.75 N ATOM 0 H ARG A 66 -6.947 -1.449 -18.343 1.00 0.96 H new ATOM 0 HA ARG A 66 -8.446 -3.393 -16.662 1.00 0.96 H new ATOM 0 HB2 ARG A 66 -5.520 -3.569 -17.274 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -6.633 -4.821 -16.761 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -6.776 -3.483 -19.483 1.00 1.56 H new ATOM 0 HG3 ARG A 66 -5.863 -4.946 -19.174 1.00 1.56 H new ATOM 0 HD2 ARG A 66 -8.152 -5.798 -18.131 1.00 1.70 H new ATOM 0 HD3 ARG A 66 -8.846 -4.527 -19.118 1.00 1.70 H new ATOM 0 HE ARG A 66 -7.458 -6.969 -20.090 1.00 2.10 H new ATOM 0 HH11 ARG A 66 -9.062 -3.902 -20.819 1.00 2.77 H new ATOM 0 HH12 ARG A 66 -9.359 -4.332 -22.507 1.00 2.77 H new ATOM 0 HH21 ARG A 66 -7.851 -7.506 -22.251 1.00 2.75 H new ATOM 0 HH22 ARG A 66 -8.677 -6.361 -23.312 1.00 2.75 H new ATOM 906 N CYS A 67 -7.127 -2.808 -14.551 1.00 0.82 N ATOM 907 CA CYS A 67 -6.524 -2.264 -13.308 1.00 0.77 C ATOM 908 C CYS A 67 -4.971 -2.113 -13.373 1.00 0.83 C ATOM 909 O CYS A 67 -4.231 -2.899 -12.777 1.00 1.31 O ATOM 910 CB CYS A 67 -6.876 -3.170 -12.116 1.00 0.88 C ATOM 911 SG CYS A 67 -6.778 -2.363 -10.483 1.00 0.98 S ATOM 0 H CYS A 67 -7.599 -3.706 -14.441 1.00 0.82 H new ATOM 0 HA CYS A 67 -6.942 -1.265 -13.187 1.00 0.77 H new ATOM 0 HB2 CYS A 67 -7.887 -3.553 -12.256 1.00 0.88 H new ATOM 0 HB3 CYS A 67 -6.206 -4.030 -12.121 1.00 0.88 H new ATOM 916 N ALA A 68 -4.524 -1.150 -14.213 1.00 0.64 N ATOM 917 CA ALA A 68 -3.120 -0.960 -14.481 1.00 0.64 C ATOM 918 C ALA A 68 -2.291 -0.890 -13.219 1.00 0.61 C ATOM 919 O ALA A 68 -1.707 -1.888 -12.772 1.00 0.61 O ATOM 920 CB ALA A 68 -2.964 0.277 -15.333 1.00 0.67 C ATOM 0 H ALA A 68 -5.136 -0.501 -14.708 1.00 0.64 H new ATOM 0 HA ALA A 68 -2.739 -1.827 -15.021 1.00 0.64 H new ATOM 0 HB1 ALA A 68 -1.908 0.440 -15.548 1.00 0.67 H new ATOM 0 HB2 ALA A 68 -3.509 0.146 -16.268 1.00 0.67 H new ATOM 0 HB3 ALA A 68 -3.363 1.139 -14.799 1.00 0.67 H new ATOM 926 N ALA A 69 -2.210 0.263 -12.643 1.00 0.74 N ATOM 927 CA ALA A 69 -1.408 0.444 -11.371 1.00 0.77 C ATOM 928 C ALA A 69 -2.154 1.221 -10.262 1.00 0.68 C ATOM 929 O ALA A 69 -3.028 2.032 -10.554 1.00 1.23 O ATOM 930 CB ALA A 69 -0.127 1.225 -11.660 1.00 0.99 C ATOM 0 H ALA A 69 -2.663 1.110 -12.986 1.00 0.74 H new ATOM 0 HA ALA A 69 -1.211 -0.568 -11.018 1.00 0.77 H new ATOM 0 HB1 ALA A 69 0.440 1.348 -10.737 1.00 0.99 H new ATOM 0 HB2 ALA A 69 0.476 0.680 -12.386 1.00 0.99 H new ATOM 0 HB3 ALA A 69 -0.382 2.205 -12.063 1.00 0.99 H new ATOM 936 N ALA A 70 -1.807 0.887 -8.982 1.00 0.75 N ATOM 937 CA ALA A 70 -2.435 1.465 -7.824 1.00 0.77 C ATOM 938 C ALA A 70 -3.849 1.963 -8.128 1.00 0.79 C ATOM 939 O ALA A 70 -4.242 3.045 -7.694 1.00 1.27 O ATOM 940 CB ALA A 70 -1.570 2.586 -7.312 1.00 0.76 C ATOM 0 H ALA A 70 -1.081 0.207 -8.759 1.00 0.75 H new ATOM 0 HA ALA A 70 -2.535 0.695 -7.059 1.00 0.77 H new ATOM 0 HB1 ALA A 70 -2.036 3.033 -6.434 1.00 0.76 H new ATOM 0 HB2 ALA A 70 -0.589 2.195 -7.043 1.00 0.76 H new ATOM 0 HB3 ALA A 70 -1.459 3.343 -8.088 1.00 0.76 H new ATOM 946 N GLY A 71 -4.590 1.165 -8.875 1.00 0.73 N ATOM 947 CA GLY A 71 -5.937 1.524 -9.243 1.00 0.80 C ATOM 948 C GLY A 71 -6.011 2.480 -10.424 1.00 0.76 C ATOM 949 O GLY A 71 -6.510 3.588 -10.292 1.00 1.15 O ATOM 0 H GLY A 71 -4.277 0.264 -9.236 1.00 0.73 H new ATOM 0 HA2 GLY A 71 -6.493 0.618 -9.484 1.00 0.80 H new ATOM 0 HA3 GLY A 71 -6.430 1.981 -8.385 1.00 0.80 H new ATOM 953 N ILE A 72 -5.541 2.010 -11.610 1.00 0.56 N ATOM 954 CA ILE A 72 -5.581 2.799 -12.794 1.00 0.53 C ATOM 955 C ILE A 72 -6.125 1.967 -13.946 1.00 0.50 C ATOM 956 O ILE A 72 -5.412 1.145 -14.505 1.00 0.63 O ATOM 957 CB ILE A 72 -4.180 3.344 -13.142 1.00 0.53 C ATOM 958 CG1 ILE A 72 -3.839 4.558 -12.252 1.00 0.64 C ATOM 959 CG2 ILE A 72 -4.082 3.659 -14.631 1.00 0.60 C ATOM 960 CD1 ILE A 72 -3.700 5.889 -12.972 1.00 0.50 C ATOM 0 H ILE A 72 -5.136 1.082 -11.735 1.00 0.56 H new ATOM 0 HA ILE A 72 -6.240 3.650 -12.622 1.00 0.53 H new ATOM 0 HB ILE A 72 -3.434 2.577 -12.933 1.00 0.53 H new ATOM 0 HG12 ILE A 72 -4.615 4.657 -11.492 1.00 0.64 H new ATOM 0 HG13 ILE A 72 -2.905 4.350 -11.729 1.00 0.64 H new ATOM 0 HG21 ILE A 72 -3.087 4.042 -14.857 1.00 0.60 H new ATOM 0 HG22 ILE A 72 -4.261 2.751 -15.207 1.00 0.60 H new ATOM 0 HG23 ILE A 72 -4.828 4.409 -14.894 1.00 0.60 H new ATOM 0 HD11 ILE A 72 -3.460 6.670 -12.250 1.00 0.50 H new ATOM 0 HD12 ILE A 72 -2.902 5.821 -13.712 1.00 0.50 H new ATOM 0 HD13 ILE A 72 -4.638 6.132 -13.471 1.00 0.50 H new ATOM 972 N CYS A 73 -7.388 2.183 -14.313 1.00 0.41 N ATOM 973 CA CYS A 73 -7.982 1.432 -15.411 1.00 0.43 C ATOM 974 C CYS A 73 -7.378 1.924 -16.716 1.00 0.50 C ATOM 975 O CYS A 73 -7.857 2.888 -17.322 1.00 0.59 O ATOM 976 CB CYS A 73 -9.504 1.612 -15.444 1.00 0.49 C ATOM 977 SG CYS A 73 -10.397 0.296 -16.332 1.00 0.54 S ATOM 0 H CYS A 73 -8.009 2.862 -13.872 1.00 0.41 H new ATOM 0 HA CYS A 73 -7.774 0.371 -15.271 1.00 0.43 H new ATOM 0 HB2 CYS A 73 -9.875 1.659 -14.420 1.00 0.49 H new ATOM 0 HB3 CYS A 73 -9.735 2.570 -15.911 1.00 0.49 H new ATOM 982 N CYS A 74 -6.265 1.308 -17.112 1.00 0.56 N ATOM 983 CA CYS A 74 -5.572 1.735 -18.315 1.00 0.67 C ATOM 984 C CYS A 74 -5.388 0.620 -19.355 1.00 0.79 C ATOM 985 O CYS A 74 -5.396 -0.565 -19.028 1.00 0.84 O ATOM 986 CB CYS A 74 -4.185 2.270 -17.944 1.00 0.60 C ATOM 987 SG CYS A 74 -3.185 2.799 -19.375 1.00 0.78 S ATOM 0 H CYS A 74 -5.833 0.524 -16.623 1.00 0.56 H new ATOM 0 HA CYS A 74 -6.200 2.504 -18.766 1.00 0.67 H new ATOM 0 HB2 CYS A 74 -4.303 3.114 -17.264 1.00 0.60 H new ATOM 0 HB3 CYS A 74 -3.642 1.497 -17.401 1.00 0.60 H new ATOM 992 N SER A 75 -5.257 1.069 -20.633 1.00 0.87 N ATOM 993 CA SER A 75 -5.084 0.181 -21.738 1.00 0.99 C ATOM 994 C SER A 75 -3.973 0.763 -22.596 1.00 0.91 C ATOM 995 O SER A 75 -3.148 1.508 -22.062 1.00 0.78 O ATOM 996 CB SER A 75 -6.422 0.066 -22.501 1.00 1.21 C ATOM 997 OG SER A 75 -7.528 0.097 -21.614 1.00 1.35 O ATOM 0 H SER A 75 -5.273 2.056 -20.890 1.00 0.87 H new ATOM 0 HA SER A 75 -4.806 -0.827 -21.429 1.00 0.99 H new ATOM 0 HB2 SER A 75 -6.505 0.883 -23.217 1.00 1.21 H new ATOM 0 HB3 SER A 75 -6.438 -0.862 -23.073 1.00 1.21 H new ATOM 0 HG SER A 75 -7.938 0.987 -21.633 1.00 1.35 H new ATOM 1003 N PRO A 76 -3.926 0.535 -23.926 1.00 1.02 N ATOM 1004 CA PRO A 76 -2.868 1.115 -24.752 1.00 1.01 C ATOM 1005 C PRO A 76 -3.195 2.552 -25.157 1.00 1.09 C ATOM 1006 O PRO A 76 -2.313 3.314 -25.548 1.00 1.11 O ATOM 1007 CB PRO A 76 -2.835 0.195 -25.969 1.00 1.15 C ATOM 1008 CG PRO A 76 -4.235 -0.289 -26.114 1.00 1.30 C ATOM 1009 CD PRO A 76 -4.841 -0.303 -24.730 1.00 1.23 C ATOM 0 HA PRO A 76 -1.912 1.177 -24.232 1.00 1.01 H new ATOM 0 HB2 PRO A 76 -2.506 0.729 -26.860 1.00 1.15 H new ATOM 0 HB3 PRO A 76 -2.143 -0.634 -25.820 1.00 1.15 H new ATOM 0 HG2 PRO A 76 -4.802 0.364 -26.777 1.00 1.30 H new ATOM 0 HG3 PRO A 76 -4.255 -1.286 -26.554 1.00 1.30 H new ATOM 0 HD2 PRO A 76 -5.853 0.103 -24.734 1.00 1.23 H new ATOM 0 HD3 PRO A 76 -4.905 -1.316 -24.333 1.00 1.23 H new ATOM 1017 N ASP A 77 -4.478 2.915 -25.038 1.00 1.20 N ATOM 1018 CA ASP A 77 -4.931 4.242 -25.404 1.00 1.36 C ATOM 1019 C ASP A 77 -4.498 5.278 -24.371 1.00 1.28 C ATOM 1020 O ASP A 77 -3.885 6.288 -24.715 1.00 1.40 O ATOM 1021 CB ASP A 77 -6.454 4.263 -25.525 1.00 1.50 C ATOM 1022 CG ASP A 77 -6.918 4.805 -26.861 1.00 1.80 C ATOM 1023 OD1 ASP A 77 -6.864 4.053 -27.857 1.00 2.16 O ATOM 1024 OD2 ASP A 77 -7.333 5.982 -26.913 1.00 2.17 O ATOM 0 H ASP A 77 -5.214 2.300 -24.690 1.00 1.20 H new ATOM 0 HA ASP A 77 -4.479 4.494 -26.364 1.00 1.36 H new ATOM 0 HB2 ASP A 77 -6.841 3.253 -25.391 1.00 1.50 H new ATOM 0 HB3 ASP A 77 -6.871 4.873 -24.724 1.00 1.50 H new ATOM 1029 N GLY A 78 -4.827 5.026 -23.093 1.00 1.13 N ATOM 1030 CA GLY A 78 -4.414 5.923 -22.048 1.00 1.05 C ATOM 1031 C GLY A 78 -4.718 5.397 -20.663 1.00 0.91 C ATOM 1032 O GLY A 78 -5.499 4.458 -20.498 1.00 0.91 O ATOM 0 H GLY A 78 -5.368 4.219 -22.781 1.00 1.13 H new ATOM 0 HA2 GLY A 78 -3.343 6.104 -22.135 1.00 1.05 H new ATOM 0 HA3 GLY A 78 -4.912 6.883 -22.183 1.00 1.05 H new ATOM 1036 N CYS A 79 -4.089 5.989 -19.662 1.00 0.81 N ATOM 1037 CA CYS A 79 -4.268 5.557 -18.282 1.00 0.70 C ATOM 1038 C CYS A 79 -4.977 6.611 -17.481 1.00 0.72 C ATOM 1039 O CYS A 79 -4.863 7.815 -17.751 1.00 0.83 O ATOM 1040 CB CYS A 79 -2.917 5.245 -17.620 1.00 0.60 C ATOM 1041 SG CYS A 79 -1.863 4.120 -18.587 1.00 0.67 S ATOM 0 H CYS A 79 -3.447 6.773 -19.778 1.00 0.81 H new ATOM 0 HA CYS A 79 -4.872 4.650 -18.302 1.00 0.70 H new ATOM 0 HB2 CYS A 79 -2.380 6.179 -17.456 1.00 0.60 H new ATOM 0 HB3 CYS A 79 -3.097 4.805 -16.639 1.00 0.60 H new ATOM 1046 N GLU A 80 -5.729 6.167 -16.526 1.00 0.67 N ATOM 1047 CA GLU A 80 -6.500 7.115 -15.656 1.00 0.73 C ATOM 1048 C GLU A 80 -6.875 6.472 -14.316 1.00 0.69 C ATOM 1049 O GLU A 80 -7.418 5.363 -14.274 1.00 0.68 O ATOM 1050 CB GLU A 80 -7.772 7.589 -16.374 1.00 0.83 C ATOM 1051 CG GLU A 80 -8.790 6.486 -16.622 1.00 0.78 C ATOM 1052 CD GLU A 80 -10.151 6.799 -16.029 1.00 0.94 C ATOM 1053 OE1 GLU A 80 -10.264 6.832 -14.786 1.00 1.53 O ATOM 1054 OE2 GLU A 80 -11.103 7.011 -16.809 1.00 1.40 O ATOM 0 H GLU A 80 -5.852 5.180 -16.299 1.00 0.67 H new ATOM 0 HA GLU A 80 -5.856 7.971 -15.456 1.00 0.73 H new ATOM 0 HB2 GLU A 80 -8.240 8.375 -15.781 1.00 0.83 H new ATOM 0 HB3 GLU A 80 -7.493 8.034 -17.329 1.00 0.83 H new ATOM 0 HG2 GLU A 80 -8.894 6.328 -17.696 1.00 0.78 H new ATOM 0 HG3 GLU A 80 -8.419 5.553 -16.197 1.00 0.78 H new ATOM 1061 N GLU A 81 -6.590 7.175 -13.209 1.00 0.74 N ATOM 1062 CA GLU A 81 -6.907 6.670 -11.890 1.00 0.77 C ATOM 1063 C GLU A 81 -8.389 6.269 -11.828 1.00 0.81 C ATOM 1064 O GLU A 81 -9.252 7.118 -11.634 1.00 0.99 O ATOM 1065 CB GLU A 81 -6.583 7.733 -10.833 1.00 0.90 C ATOM 1066 CG GLU A 81 -7.127 9.117 -11.154 1.00 1.01 C ATOM 1067 CD GLU A 81 -6.454 10.209 -10.344 1.00 1.63 C ATOM 1068 OE1 GLU A 81 -6.048 9.933 -9.196 1.00 2.23 O ATOM 1069 OE2 GLU A 81 -6.333 11.341 -10.859 1.00 2.20 O ATOM 0 H GLU A 81 -6.142 8.091 -13.214 1.00 0.74 H new ATOM 0 HA GLU A 81 -6.303 5.786 -11.684 1.00 0.77 H new ATOM 0 HB2 GLU A 81 -6.986 7.410 -9.873 1.00 0.90 H new ATOM 0 HB3 GLU A 81 -5.501 7.798 -10.719 1.00 0.90 H new ATOM 0 HG2 GLU A 81 -6.990 9.320 -12.216 1.00 1.01 H new ATOM 0 HG3 GLU A 81 -8.200 9.136 -10.962 1.00 1.01 H new ATOM 1076 N ASP A 82 -8.665 4.946 -11.971 1.00 0.72 N ATOM 1077 CA ASP A 82 -10.012 4.458 -11.902 1.00 0.78 C ATOM 1078 C ASP A 82 -10.457 4.213 -10.462 1.00 0.76 C ATOM 1079 O ASP A 82 -9.932 3.335 -9.781 1.00 0.72 O ATOM 1080 CB ASP A 82 -10.125 3.168 -12.696 1.00 0.84 C ATOM 1081 CG ASP A 82 -9.320 2.032 -12.094 1.00 1.50 C ATOM 1082 OD1 ASP A 82 -8.362 2.314 -11.353 1.00 1.92 O ATOM 1083 OD2 ASP A 82 -9.650 0.858 -12.368 1.00 2.29 O ATOM 0 H ASP A 82 -7.960 4.227 -12.132 1.00 0.72 H new ATOM 0 HA ASP A 82 -10.665 5.221 -12.326 1.00 0.78 H new ATOM 0 HB2 ASP A 82 -11.173 2.873 -12.754 1.00 0.84 H new ATOM 0 HB3 ASP A 82 -9.787 3.345 -13.717 1.00 0.84 H new ATOM 1088 N PRO A 83 -11.452 4.981 -9.977 1.00 0.87 N ATOM 1089 CA PRO A 83 -11.966 4.818 -8.619 1.00 0.95 C ATOM 1090 C PRO A 83 -12.466 3.404 -8.341 1.00 0.98 C ATOM 1091 O PRO A 83 -12.881 3.088 -7.227 1.00 1.11 O ATOM 1092 CB PRO A 83 -13.133 5.811 -8.550 1.00 1.12 C ATOM 1093 CG PRO A 83 -12.848 6.811 -9.614 1.00 1.13 C ATOM 1094 CD PRO A 83 -12.146 6.054 -10.705 1.00 0.98 C ATOM 0 HA PRO A 83 -11.187 4.996 -7.877 1.00 0.95 H new ATOM 0 HB2 PRO A 83 -14.087 5.312 -8.722 1.00 1.12 H new ATOM 0 HB3 PRO A 83 -13.192 6.283 -7.569 1.00 1.12 H new ATOM 0 HG2 PRO A 83 -13.768 7.265 -9.982 1.00 1.13 H new ATOM 0 HG3 PRO A 83 -12.224 7.620 -9.234 1.00 1.13 H new ATOM 0 HD2 PRO A 83 -12.850 5.655 -11.435 1.00 0.98 H new ATOM 0 HD3 PRO A 83 -11.447 6.688 -11.250 1.00 0.98 H new ATOM 1102 N ALA A 84 -12.430 2.541 -9.353 1.00 0.93 N ATOM 1103 CA ALA A 84 -12.864 1.168 -9.204 1.00 1.01 C ATOM 1104 C ALA A 84 -11.703 0.243 -8.837 1.00 0.97 C ATOM 1105 O ALA A 84 -11.812 -0.973 -9.007 1.00 1.07 O ATOM 1106 CB ALA A 84 -13.538 0.688 -10.480 1.00 1.01 C ATOM 0 H ALA A 84 -12.101 2.778 -10.289 1.00 0.93 H new ATOM 0 HA ALA A 84 -13.583 1.135 -8.385 1.00 1.01 H new ATOM 0 HB1 ALA A 84 -13.860 -0.346 -10.355 1.00 1.01 H new ATOM 0 HB2 ALA A 84 -14.404 1.315 -10.692 1.00 1.01 H new ATOM 0 HB3 ALA A 84 -12.834 0.751 -11.309 1.00 1.01 H new ATOM 1112 N CYS A 85 -10.586 0.801 -8.354 1.00 0.88 N ATOM 1113 CA CYS A 85 -9.449 -0.040 -8.018 1.00 0.90 C ATOM 1114 C CYS A 85 -8.620 0.425 -6.803 1.00 0.92 C ATOM 1115 O CYS A 85 -8.292 -0.416 -5.965 1.00 1.01 O ATOM 1116 CB CYS A 85 -8.545 -0.240 -9.233 1.00 0.83 C ATOM 1117 SG CYS A 85 -8.700 -1.871 -10.036 1.00 1.25 S ATOM 0 H CYS A 85 -10.453 1.800 -8.194 1.00 0.88 H new ATOM 0 HA CYS A 85 -9.889 -0.990 -7.715 1.00 0.90 H new ATOM 0 HB2 CYS A 85 -8.769 0.534 -9.967 1.00 0.83 H new ATOM 0 HB3 CYS A 85 -7.509 -0.098 -8.926 1.00 0.83 H new ATOM 1122 N ASP A 86 -8.231 1.717 -6.675 1.00 0.88 N ATOM 1123 CA ASP A 86 -7.400 2.074 -5.498 1.00 0.94 C ATOM 1124 C ASP A 86 -7.037 3.569 -5.252 1.00 0.93 C ATOM 1125 O ASP A 86 -6.794 3.927 -4.099 1.00 1.02 O ATOM 1126 CB ASP A 86 -6.096 1.278 -5.561 1.00 0.91 C ATOM 1127 CG ASP A 86 -5.588 0.883 -4.187 1.00 1.03 C ATOM 1128 OD1 ASP A 86 -6.033 1.494 -3.193 1.00 1.54 O ATOM 1129 OD2 ASP A 86 -4.745 -0.036 -4.105 1.00 1.51 O ATOM 0 H ASP A 86 -8.456 2.477 -7.316 1.00 0.88 H new ATOM 0 HA ASP A 86 -8.052 1.828 -4.660 1.00 0.94 H new ATOM 0 HB2 ASP A 86 -6.251 0.380 -6.159 1.00 0.91 H new ATOM 0 HB3 ASP A 86 -5.336 1.872 -6.069 1.00 0.91 H new ATOM 1134 N PRO A 87 -6.932 4.464 -6.262 1.00 0.85 N ATOM 1135 CA PRO A 87 -6.539 5.853 -6.027 1.00 0.91 C ATOM 1136 C PRO A 87 -7.721 6.769 -5.841 1.00 1.02 C ATOM 1137 O PRO A 87 -8.118 7.090 -4.715 1.00 1.16 O ATOM 1138 CB PRO A 87 -5.763 6.209 -7.299 1.00 0.83 C ATOM 1139 CG PRO A 87 -6.167 5.194 -8.329 1.00 0.74 C ATOM 1140 CD PRO A 87 -7.145 4.235 -7.681 1.00 0.75 C ATOM 0 HA PRO A 87 -5.961 5.969 -5.110 1.00 0.91 H new ATOM 0 HB2 PRO A 87 -6.002 7.219 -7.632 1.00 0.83 H new ATOM 0 HB3 PRO A 87 -4.688 6.178 -7.122 1.00 0.83 H new ATOM 0 HG2 PRO A 87 -6.626 5.684 -9.188 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -5.293 4.656 -8.698 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -8.173 4.447 -7.975 1.00 0.75 H new ATOM 0 HD3 PRO A 87 -6.941 3.201 -7.958 1.00 0.75 H new ATOM 1148 N GLU A 88 -8.290 7.165 -6.928 1.00 0.99 N ATOM 1149 CA GLU A 88 -9.507 8.031 -6.897 1.00 1.14 C ATOM 1150 C GLU A 88 -10.715 7.224 -6.432 1.00 1.20 C ATOM 1151 O GLU A 88 -11.866 7.657 -6.526 1.00 1.33 O ATOM 1152 CB GLU A 88 -9.767 8.646 -8.283 1.00 1.17 C ATOM 1153 CG GLU A 88 -10.652 9.884 -8.255 1.00 1.37 C ATOM 1154 CD GLU A 88 -10.792 10.531 -9.620 1.00 1.36 C ATOM 1155 OE1 GLU A 88 -9.757 10.731 -10.291 1.00 1.75 O ATOM 1156 OE2 GLU A 88 -11.936 10.836 -10.020 1.00 1.86 O ATOM 0 H GLU A 88 -7.964 6.925 -7.864 1.00 0.99 H new ATOM 0 HA GLU A 88 -9.339 8.844 -6.190 1.00 1.14 H new ATOM 0 HB2 GLU A 88 -8.812 8.905 -8.739 1.00 1.17 H new ATOM 0 HB3 GLU A 88 -10.231 7.894 -8.921 1.00 1.17 H new ATOM 0 HG2 GLU A 88 -11.640 9.612 -7.883 1.00 1.37 H new ATOM 0 HG3 GLU A 88 -10.236 10.608 -7.555 1.00 1.37 H new ATOM 1163 N ALA A 89 -10.429 6.003 -5.992 1.00 1.11 N ATOM 1164 CA ALA A 89 -11.438 5.047 -5.537 1.00 1.14 C ATOM 1165 C ALA A 89 -12.100 5.503 -4.228 1.00 1.21 C ATOM 1166 O ALA A 89 -11.553 6.331 -3.519 1.00 1.43 O ATOM 1167 CB ALA A 89 -10.800 3.668 -5.411 1.00 1.10 C ATOM 0 H ALA A 89 -9.476 5.642 -5.940 1.00 1.11 H new ATOM 0 HA ALA A 89 -12.239 4.993 -6.274 1.00 1.14 H new ATOM 0 HB1 ALA A 89 -11.548 2.951 -5.072 1.00 1.10 H new ATOM 0 HB2 ALA A 89 -10.412 3.357 -6.381 1.00 1.10 H new ATOM 0 HB3 ALA A 89 -9.984 3.709 -4.690 1.00 1.10 H new ATOM 1173 N ALA A 90 -13.245 4.860 -3.887 1.00 1.31 N ATOM 1174 CA ALA A 90 -13.925 5.036 -2.662 1.00 1.55 C ATOM 1175 C ALA A 90 -13.377 4.047 -1.611 1.00 1.77 C ATOM 1176 O ALA A 90 -12.561 4.373 -0.751 1.00 1.80 O ATOM 1177 CB ALA A 90 -15.389 4.967 -2.858 1.00 2.11 C ATOM 0 H ALA A 90 -13.703 4.191 -4.506 1.00 1.31 H new ATOM 0 HA ALA A 90 -13.736 6.035 -2.269 1.00 1.55 H new ATOM 0 HB1 ALA A 90 -15.891 5.105 -1.901 1.00 2.11 H new ATOM 0 HB2 ALA A 90 -15.701 5.751 -3.548 1.00 2.11 H new ATOM 0 HB3 ALA A 90 -15.655 3.994 -3.270 1.00 2.11 H new ATOM 1183 N PHE A 91 -13.957 2.804 -1.656 1.00 2.30 N ATOM 1184 CA PHE A 91 -13.510 1.746 -0.803 1.00 2.88 C ATOM 1185 C PHE A 91 -12.881 0.628 -1.622 1.00 3.17 C ATOM 1186 O PHE A 91 -12.940 -0.550 -1.236 1.00 3.91 O ATOM 1187 CB PHE A 91 -14.663 1.237 0.014 1.00 3.44 C ATOM 1188 CG PHE A 91 -14.323 1.035 1.462 1.00 3.62 C ATOM 1189 CD1 PHE A 91 -13.556 -0.051 1.867 1.00 4.18 C ATOM 1190 CD2 PHE A 91 -14.766 1.932 2.423 1.00 3.85 C ATOM 1191 CE1 PHE A 91 -13.240 -0.235 3.201 1.00 4.72 C ATOM 1192 CE2 PHE A 91 -14.453 1.750 3.758 1.00 4.47 C ATOM 1193 CZ PHE A 91 -13.690 0.666 4.146 1.00 4.81 C ATOM 0 H PHE A 91 -14.724 2.552 -2.280 1.00 2.30 H new ATOM 0 HA PHE A 91 -12.746 2.129 -0.126 1.00 2.88 H new ATOM 0 HB2 PHE A 91 -15.492 1.941 -0.062 1.00 3.44 H new ATOM 0 HB3 PHE A 91 -15.008 0.292 -0.406 1.00 3.44 H new ATOM 0 HD1 PHE A 91 -13.203 -0.759 1.132 1.00 4.18 H new ATOM 0 HD2 PHE A 91 -15.362 2.782 2.125 1.00 3.85 H new ATOM 0 HE1 PHE A 91 -12.642 -1.082 3.503 1.00 4.72 H new ATOM 0 HE2 PHE A 91 -14.805 2.455 4.497 1.00 4.47 H new ATOM 0 HZ PHE A 91 -13.445 0.523 5.188 1.00 4.81 H new ATOM 1203 N SER A 92 -12.298 0.981 -2.725 1.00 2.64 N ATOM 1204 CA SER A 92 -11.645 -0.005 -3.631 1.00 2.89 C ATOM 1205 C SER A 92 -10.120 0.000 -3.452 1.00 3.12 C ATOM 1206 O SER A 92 -9.594 0.990 -2.900 1.00 3.34 O ATOM 1207 CB SER A 92 -11.998 0.307 -5.097 1.00 2.42 C ATOM 1208 OG SER A 92 -11.140 -0.370 -6.001 1.00 2.62 O ATOM 1209 OXT SER A 92 -9.470 -0.986 -3.861 1.00 3.48 O ATOM 0 H SER A 92 -12.243 1.946 -3.051 1.00 2.64 H new ATOM 0 HA SER A 92 -12.017 -0.996 -3.371 1.00 2.89 H new ATOM 0 HB2 SER A 92 -13.031 0.019 -5.291 1.00 2.42 H new ATOM 0 HB3 SER A 92 -11.930 1.382 -5.267 1.00 2.42 H new ATOM 0 HG SER A 92 -11.642 -1.073 -6.464 1.00 2.62 H new TER 1215 SER A 92