USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 914 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 32 TYR OH : rot 98:sc= 0.172 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -145:sc= 0.568 (180deg=-0.115) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 0.0161 (180deg=0.00881) USER MOD Single : A 15 SER OG : rot -42:sc= 0.162 USER MOD Single : A 16 ASN : amide:sc= -3.68 X(o=-3.7,f=-3.8!) USER MOD Single : A 24 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-1.6) USER MOD Single : A 38 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.29) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.16) USER MOD Single : A 46 TYR OH : rot 113:sc= -4.09! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 170:sc= -2.36! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 54:sc= -0.404 USER MOD Single : A 82 TYR OH : rot 180:sc= -1.23! USER MOD Single : A 84 THR OG1 : rot -0:sc= -0.874! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.4!) USER MOD Single : A 93 THR OG1 : rot 11:sc= -0.0436 USER MOD Single : A 95 SER OG : rot -65:sc= 0.807 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 165:sc= -2.18 USER MOD Single : A 100 THR OG1 : rot -85:sc= 0.564 USER MOD Single : A 110 ASN : amide:sc= 0.673 K(o=0.67,f=-0.06) USER MOD Single : A 113 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.182) USER MOD Single : A 114 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0017) USER MOD Single : A 116 THR OG1 : rot 115:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.244 12.400 15.848 1.00 7.08 N ATOM 2 CA ASP A 1 -9.151 11.242 14.913 1.00 6.65 C ATOM 3 C ASP A 1 -7.872 10.445 15.181 1.00 5.96 C ATOM 4 O ASP A 1 -6.850 10.996 15.538 1.00 6.16 O ATOM 5 CB ASP A 1 -9.117 11.863 13.517 1.00 7.15 C ATOM 6 CG ASP A 1 -7.879 12.751 13.383 1.00 7.15 C ATOM 7 OD1 ASP A 1 -7.922 13.869 13.868 1.00 7.22 O ATOM 8 OD2 ASP A 1 -6.908 12.298 12.799 1.00 7.37 O ATOM 0 H1 ASP A 1 -10.240 12.564 16.099 1.00 7.08 H new ATOM 0 H2 ASP A 1 -8.699 12.195 16.710 1.00 7.08 H new ATOM 0 H3 ASP A 1 -8.858 13.249 15.388 1.00 7.08 H new ATOM 0 HA ASP A 1 -9.984 10.549 15.030 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -9.099 11.080 12.759 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -10.019 12.451 13.347 1.00 7.15 H new ATOM 15 N ALA A 2 -7.919 9.152 15.012 1.00 5.41 N ATOM 16 CA ALA A 2 -6.705 8.322 15.260 1.00 4.78 C ATOM 17 C ALA A 2 -6.546 7.268 14.152 1.00 3.77 C ATOM 18 O ALA A 2 -7.375 6.389 14.021 1.00 3.42 O ATOM 19 CB ALA A 2 -6.960 7.645 16.606 1.00 5.00 C ATOM 0 H ALA A 2 -8.745 8.634 14.713 1.00 5.41 H new ATOM 0 HA ALA A 2 -5.792 8.917 15.266 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -6.110 7.013 16.862 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -7.093 8.405 17.376 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -7.860 7.033 16.541 1.00 5.00 H new ATOM 25 N PRO A 3 -5.486 7.383 13.386 1.00 3.56 N ATOM 26 CA PRO A 3 -5.242 6.413 12.288 1.00 2.78 C ATOM 27 C PRO A 3 -4.810 5.058 12.856 1.00 2.04 C ATOM 28 O PRO A 3 -3.680 4.877 13.263 1.00 2.31 O ATOM 29 CB PRO A 3 -4.110 7.050 11.488 1.00 3.38 C ATOM 30 CG PRO A 3 -3.403 7.939 12.461 1.00 4.09 C ATOM 31 CD PRO A 3 -4.429 8.404 13.461 1.00 4.30 C ATOM 0 HA PRO A 3 -6.129 6.221 11.684 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -3.438 6.293 11.084 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -4.496 7.618 10.642 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -2.596 7.401 12.959 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -2.951 8.789 11.949 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -4.008 8.470 14.464 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -4.811 9.394 13.210 1.00 4.30 H new ATOM 39 N GLU A 4 -5.702 4.105 12.884 1.00 1.37 N ATOM 40 CA GLU A 4 -5.344 2.762 13.422 1.00 1.14 C ATOM 41 C GLU A 4 -4.232 2.132 12.579 1.00 0.89 C ATOM 42 O GLU A 4 -3.850 2.653 11.550 1.00 1.30 O ATOM 43 CB GLU A 4 -6.629 1.941 13.316 1.00 1.67 C ATOM 44 CG GLU A 4 -7.048 1.841 11.848 1.00 2.39 C ATOM 45 CD GLU A 4 -8.129 0.769 11.699 1.00 2.65 C ATOM 46 OE1 GLU A 4 -8.975 0.682 12.574 1.00 3.05 O ATOM 47 OE2 GLU A 4 -8.094 0.054 10.712 1.00 3.09 O ATOM 0 H GLU A 4 -6.664 4.199 12.557 1.00 1.37 H new ATOM 0 HA GLU A 4 -4.974 2.812 14.446 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.472 0.945 13.730 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -7.421 2.408 13.901 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.424 2.803 11.500 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.186 1.592 11.229 1.00 2.39 H new ATOM 54 N GLU A 5 -3.712 1.015 13.009 1.00 1.00 N ATOM 55 CA GLU A 5 -2.625 0.354 12.231 1.00 0.81 C ATOM 56 C GLU A 5 -2.583 -1.146 12.544 1.00 0.87 C ATOM 57 O GLU A 5 -3.106 -1.597 13.544 1.00 1.15 O ATOM 58 CB GLU A 5 -1.335 1.034 12.691 1.00 0.95 C ATOM 59 CG GLU A 5 -1.123 0.778 14.186 1.00 1.46 C ATOM 60 CD GLU A 5 -0.371 -0.543 14.384 1.00 1.82 C ATOM 61 OE1 GLU A 5 0.087 -1.100 13.398 1.00 2.50 O ATOM 62 OE2 GLU A 5 -0.264 -0.975 15.520 1.00 2.19 O ATOM 0 H GLU A 5 -3.992 0.532 13.863 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.774 0.449 11.155 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.488 0.651 12.123 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -1.389 2.106 12.499 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.558 1.599 14.629 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -2.085 0.740 14.698 1.00 1.46 H new ATOM 69 N GLU A 6 -1.959 -1.918 11.697 1.00 0.79 N ATOM 70 CA GLU A 6 -1.876 -3.386 11.942 1.00 1.04 C ATOM 71 C GLU A 6 -0.430 -3.854 11.766 1.00 1.10 C ATOM 72 O GLU A 6 0.175 -3.644 10.735 1.00 1.76 O ATOM 73 CB GLU A 6 -2.775 -4.016 10.879 1.00 1.28 C ATOM 74 CG GLU A 6 -4.155 -4.295 11.477 1.00 1.68 C ATOM 75 CD GLU A 6 -4.106 -5.583 12.302 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.106 -6.646 11.703 1.00 2.63 O ATOM 77 OE2 GLU A 6 -4.068 -5.484 13.516 1.00 2.24 O ATOM 0 H GLU A 6 -1.502 -1.595 10.844 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.187 -3.662 12.950 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.866 -3.348 10.023 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.331 -4.942 10.515 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.466 -3.460 12.105 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.895 -4.388 10.682 1.00 1.68 H new ATOM 84 N ASP A 7 0.136 -4.476 12.765 1.00 1.27 N ATOM 85 CA ASP A 7 1.550 -4.941 12.640 1.00 1.35 C ATOM 86 C ASP A 7 2.444 -3.761 12.232 1.00 1.28 C ATOM 87 O ASP A 7 2.247 -2.648 12.677 1.00 2.01 O ATOM 88 CB ASP A 7 1.518 -6.013 11.547 1.00 1.53 C ATOM 89 CG ASP A 7 0.506 -7.098 11.922 1.00 1.92 C ATOM 90 OD1 ASP A 7 -0.681 -6.828 11.838 1.00 2.36 O ATOM 91 OD2 ASP A 7 0.936 -8.181 12.285 1.00 2.57 O ATOM 0 H ASP A 7 -0.315 -4.682 13.657 1.00 1.27 H new ATOM 0 HA ASP A 7 1.951 -5.336 13.573 1.00 1.35 H new ATOM 0 HB2 ASP A 7 1.248 -5.564 10.591 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.508 -6.452 11.425 1.00 1.53 H new ATOM 96 N HIS A 8 3.415 -3.982 11.386 1.00 1.21 N ATOM 97 CA HIS A 8 4.296 -2.853 10.965 1.00 1.11 C ATOM 98 C HIS A 8 3.737 -2.191 9.701 1.00 0.81 C ATOM 99 O HIS A 8 4.475 -1.797 8.819 1.00 0.87 O ATOM 100 CB HIS A 8 5.654 -3.494 10.679 1.00 1.32 C ATOM 101 CG HIS A 8 6.168 -4.156 11.928 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.053 -3.567 13.177 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.798 -5.358 12.135 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.602 -4.407 14.073 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.072 -5.514 13.491 1.00 2.33 N ATOM 0 H HIS A 8 3.635 -4.887 10.971 1.00 1.21 H new ATOM 0 HA HIS A 8 4.366 -2.077 11.727 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.561 -4.227 9.878 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.361 -2.738 10.338 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.044 -6.073 11.364 1.00 2.02 H new ATOM 0 HE1 HIS A 8 6.656 -4.210 15.134 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.533 -6.304 13.943 1.00 2.33 H new ATOM 113 N VAL A 9 2.441 -2.063 9.606 1.00 0.69 N ATOM 114 CA VAL A 9 1.840 -1.427 8.400 1.00 0.49 C ATOM 115 C VAL A 9 0.694 -0.508 8.824 1.00 0.41 C ATOM 116 O VAL A 9 0.247 -0.545 9.953 1.00 0.54 O ATOM 117 CB VAL A 9 1.325 -2.593 7.554 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.790 -2.070 6.221 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.470 -3.570 7.286 1.00 0.89 C ATOM 0 H VAL A 9 1.773 -2.372 10.312 1.00 0.69 H new ATOM 0 HA VAL A 9 2.551 -0.815 7.845 1.00 0.49 H new ATOM 0 HB VAL A 9 0.524 -3.100 8.092 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.425 -2.905 5.623 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.026 -1.371 6.405 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.589 -1.560 5.683 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.105 -4.402 6.683 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.269 -3.057 6.750 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.854 -3.949 8.233 1.00 0.89 H new ATOM 129 N LEU A 10 0.222 0.327 7.941 1.00 0.41 N ATOM 130 CA LEU A 10 -0.880 1.251 8.321 1.00 0.54 C ATOM 131 C LEU A 10 -2.196 0.847 7.674 1.00 0.42 C ATOM 132 O LEU A 10 -2.327 -0.188 7.049 1.00 0.59 O ATOM 133 CB LEU A 10 -0.454 2.618 7.796 1.00 0.83 C ATOM 134 CG LEU A 10 -0.411 3.625 8.945 1.00 0.96 C ATOM 135 CD1 LEU A 10 0.999 4.208 9.052 1.00 1.49 C ATOM 136 CD2 LEU A 10 -1.410 4.750 8.668 1.00 1.30 C ATOM 0 H LEU A 10 0.550 0.409 6.979 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.043 1.241 9.399 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.527 2.547 7.326 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -1.151 2.957 7.030 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.672 3.129 9.880 1.00 0.96 H new ATOM 0 HD11 LEU A 10 1.034 4.927 9.870 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.711 3.405 9.243 1.00 1.49 H new ATOM 0 HD13 LEU A 10 1.258 4.708 8.119 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -1.382 5.471 9.485 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -1.147 5.249 7.735 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -2.414 4.333 8.586 1.00 1.30 H new ATOM 148 N VAL A 11 -3.166 1.690 7.825 1.00 0.54 N ATOM 149 CA VAL A 11 -4.508 1.435 7.237 1.00 0.46 C ATOM 150 C VAL A 11 -5.106 2.762 6.764 1.00 0.43 C ATOM 151 O VAL A 11 -4.843 3.803 7.330 1.00 0.54 O ATOM 152 CB VAL A 11 -5.335 0.837 8.377 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.794 0.696 7.938 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.777 -0.541 8.742 1.00 1.39 C ATOM 0 H VAL A 11 -3.088 2.566 8.342 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.478 0.765 6.377 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.282 1.495 9.245 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.380 0.270 8.753 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.193 1.677 7.679 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.851 0.041 7.069 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.365 -0.968 9.554 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.829 -1.196 7.873 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -3.739 -0.441 9.060 1.00 1.39 H new ATOM 164 N LEU A 12 -5.895 2.740 5.729 1.00 0.40 N ATOM 165 CA LEU A 12 -6.484 4.012 5.227 1.00 0.45 C ATOM 166 C LEU A 12 -8.009 3.934 5.203 1.00 0.44 C ATOM 167 O LEU A 12 -8.597 2.912 5.498 1.00 0.58 O ATOM 168 CB LEU A 12 -5.927 4.169 3.813 1.00 0.63 C ATOM 169 CG LEU A 12 -4.400 4.245 3.882 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.829 4.406 2.472 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.991 5.445 4.736 1.00 0.82 C ATOM 0 H LEU A 12 -6.157 1.902 5.210 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.232 4.859 5.865 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.234 3.327 3.192 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.328 5.070 3.349 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.011 3.329 4.327 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.742 4.460 2.524 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.121 3.552 1.861 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.217 5.321 2.025 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.904 5.502 4.787 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.381 6.359 4.289 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.396 5.331 5.742 1.00 0.82 H new ATOM 183 N ARG A 13 -8.649 5.012 4.851 1.00 0.47 N ATOM 184 CA ARG A 13 -10.137 5.016 4.799 1.00 0.55 C ATOM 185 C ARG A 13 -10.628 6.234 3.996 1.00 0.54 C ATOM 186 O ARG A 13 -9.861 6.891 3.321 1.00 0.73 O ATOM 187 CB ARG A 13 -10.588 5.037 6.280 1.00 0.69 C ATOM 188 CG ARG A 13 -10.772 6.468 6.806 1.00 1.19 C ATOM 189 CD ARG A 13 -10.844 6.447 8.334 1.00 1.28 C ATOM 190 NE ARG A 13 -10.784 7.879 8.738 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.696 8.374 9.531 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.957 8.123 9.310 1.00 2.68 N ATOM 193 NH2 ARG A 13 -11.346 9.120 10.544 1.00 2.84 N ATOM 0 H ARG A 13 -8.205 5.894 4.596 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.558 4.148 4.291 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.526 4.490 6.381 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -9.849 4.518 6.891 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.943 7.096 6.479 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.683 6.903 6.395 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.764 5.977 8.680 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -10.016 5.881 8.761 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.030 8.474 8.395 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -13.230 7.541 8.518 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -13.670 8.509 9.929 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -10.360 9.316 10.716 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -12.059 9.506 11.163 1.00 2.84 H new ATOM 207 N LYS A 14 -11.896 6.525 4.049 1.00 0.58 N ATOM 208 CA LYS A 14 -12.431 7.684 3.273 1.00 0.63 C ATOM 209 C LYS A 14 -11.748 8.996 3.683 1.00 0.65 C ATOM 210 O LYS A 14 -11.351 9.783 2.847 1.00 0.83 O ATOM 211 CB LYS A 14 -13.920 7.728 3.613 1.00 0.74 C ATOM 212 CG LYS A 14 -14.718 7.082 2.479 1.00 1.26 C ATOM 213 CD LYS A 14 -16.211 7.331 2.700 1.00 1.92 C ATOM 214 CE LYS A 14 -16.832 6.120 3.401 1.00 2.26 C ATOM 215 NZ LYS A 14 -18.300 6.366 3.361 1.00 2.80 N ATOM 0 H LYS A 14 -12.588 6.012 4.595 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.249 7.570 2.204 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.106 7.202 4.549 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.241 8.760 3.757 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.407 7.496 1.520 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.518 6.011 2.444 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.356 8.227 3.303 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.707 7.506 1.745 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.573 5.192 2.891 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.474 6.031 4.427 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.776 5.740 4.042 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -18.493 7.357 3.609 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.658 6.173 2.404 1.00 2.80 H new ATOM 229 N SER A 15 -11.625 9.250 4.956 1.00 0.68 N ATOM 230 CA SER A 15 -10.985 10.525 5.404 1.00 0.88 C ATOM 231 C SER A 15 -9.522 10.305 5.812 1.00 0.81 C ATOM 232 O SER A 15 -8.887 11.187 6.356 1.00 1.05 O ATOM 233 CB SER A 15 -11.809 10.968 6.610 1.00 1.10 C ATOM 234 OG SER A 15 -11.537 12.332 6.895 1.00 1.68 O ATOM 0 H SER A 15 -11.938 8.634 5.706 1.00 0.68 H new ATOM 0 HA SER A 15 -10.970 11.269 4.607 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.871 10.833 6.407 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.568 10.350 7.475 1.00 1.10 H new ATOM 0 HG SER A 15 -10.574 12.497 6.817 1.00 1.68 H new ATOM 240 N ASN A 16 -8.982 9.147 5.559 1.00 0.65 N ATOM 241 CA ASN A 16 -7.562 8.891 5.940 1.00 0.68 C ATOM 242 C ASN A 16 -6.708 8.656 4.689 1.00 0.55 C ATOM 243 O ASN A 16 -5.496 8.745 4.727 1.00 0.56 O ATOM 244 CB ASN A 16 -7.614 7.633 6.806 1.00 0.87 C ATOM 245 CG ASN A 16 -6.206 7.227 7.230 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.255 7.952 7.010 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.034 6.086 7.836 1.00 0.98 N ATOM 0 H ASN A 16 -9.459 8.367 5.106 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.114 9.733 6.468 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.229 7.815 7.687 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -8.083 6.820 6.252 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -5.100 5.799 8.127 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.834 5.480 8.019 1.00 0.98 H new ATOM 254 N PHE A 17 -7.331 8.362 3.579 1.00 0.55 N ATOM 255 CA PHE A 17 -6.559 8.126 2.326 1.00 0.51 C ATOM 256 C PHE A 17 -5.861 9.412 1.882 1.00 0.46 C ATOM 257 O PHE A 17 -4.659 9.459 1.716 1.00 0.52 O ATOM 258 CB PHE A 17 -7.614 7.723 1.298 1.00 0.56 C ATOM 259 CG PHE A 17 -6.953 7.482 -0.038 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.683 8.562 -0.886 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.612 6.182 -0.428 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.072 8.342 -2.125 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.001 5.961 -1.667 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.731 7.042 -2.516 1.00 0.87 C ATOM 0 H PHE A 17 -8.343 8.275 3.487 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.785 7.369 2.452 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.131 6.822 1.627 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.366 8.507 1.207 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.946 9.565 -0.584 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.820 5.349 0.227 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.863 9.175 -2.780 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.738 4.958 -1.969 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.260 6.872 -3.473 1.00 0.87 H new ATOM 274 N ALA A 18 -6.618 10.453 1.680 1.00 0.52 N ATOM 275 CA ALA A 18 -6.020 11.747 1.235 1.00 0.66 C ATOM 276 C ALA A 18 -5.001 12.258 2.260 1.00 0.59 C ATOM 277 O ALA A 18 -4.197 13.120 1.967 1.00 0.75 O ATOM 278 CB ALA A 18 -7.201 12.711 1.129 1.00 0.84 C ATOM 0 H ALA A 18 -7.630 10.466 1.804 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.485 11.644 0.291 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.844 13.689 0.806 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.919 12.329 0.403 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.683 12.804 2.102 1.00 0.84 H new ATOM 284 N GLU A 19 -5.022 11.734 3.453 1.00 0.46 N ATOM 285 CA GLU A 19 -4.050 12.191 4.482 1.00 0.49 C ATOM 286 C GLU A 19 -2.708 11.494 4.262 1.00 0.48 C ATOM 287 O GLU A 19 -1.698 12.128 4.032 1.00 0.56 O ATOM 288 CB GLU A 19 -4.665 11.770 5.815 1.00 0.55 C ATOM 289 CG GLU A 19 -3.858 12.379 6.965 1.00 0.69 C ATOM 290 CD GLU A 19 -4.345 13.805 7.231 1.00 1.04 C ATOM 291 OE1 GLU A 19 -4.023 14.676 6.441 1.00 1.66 O ATOM 292 OE2 GLU A 19 -5.032 14.001 8.220 1.00 1.78 O ATOM 0 H GLU A 19 -5.671 11.009 3.759 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.866 13.265 4.444 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.702 12.101 5.870 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.672 10.683 5.897 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.970 11.772 7.863 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.797 12.386 6.715 1.00 0.69 H new ATOM 299 N ALA A 20 -2.694 10.191 4.322 1.00 0.45 N ATOM 300 CA ALA A 20 -1.421 9.446 4.109 1.00 0.53 C ATOM 301 C ALA A 20 -0.758 9.895 2.805 1.00 0.57 C ATOM 302 O ALA A 20 0.421 10.182 2.761 1.00 0.71 O ATOM 303 CB ALA A 20 -1.830 7.977 4.025 1.00 0.57 C ATOM 0 H ALA A 20 -3.510 9.609 4.510 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.701 9.622 4.908 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.944 7.361 3.868 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.318 7.681 4.954 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.520 7.839 3.193 1.00 0.57 H new ATOM 309 N LEU A 21 -1.512 9.966 1.745 1.00 0.55 N ATOM 310 CA LEU A 21 -0.927 10.405 0.447 1.00 0.69 C ATOM 311 C LEU A 21 -0.354 11.814 0.593 1.00 0.75 C ATOM 312 O LEU A 21 0.741 12.101 0.152 1.00 0.92 O ATOM 313 CB LEU A 21 -2.092 10.393 -0.545 1.00 0.74 C ATOM 314 CG LEU A 21 -2.000 9.139 -1.418 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.721 7.981 -0.726 1.00 0.90 C ATOM 316 CD2 LEU A 21 -2.654 9.411 -2.773 1.00 1.44 C ATOM 0 H LEU A 21 -2.506 9.740 1.720 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.114 9.759 0.115 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.041 10.408 -0.009 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.063 11.287 -1.168 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.953 8.877 -1.567 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.655 7.088 -1.348 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.254 7.786 0.239 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.768 8.242 -0.576 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -2.588 8.518 -3.395 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -3.701 9.674 -2.625 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -2.139 10.235 -3.267 1.00 1.44 H new ATOM 328 N ALA A 22 -1.082 12.688 1.227 1.00 0.71 N ATOM 329 CA ALA A 22 -0.577 14.076 1.424 1.00 0.85 C ATOM 330 C ALA A 22 0.121 14.184 2.782 1.00 0.89 C ATOM 331 O ALA A 22 0.279 15.259 3.327 1.00 1.08 O ATOM 332 CB ALA A 22 -1.821 14.965 1.387 1.00 1.00 C ATOM 0 H ALA A 22 -2.006 12.502 1.618 1.00 0.71 H new ATOM 0 HA ALA A 22 0.148 14.367 0.663 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -1.529 16.006 1.526 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.319 14.853 0.424 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.503 14.670 2.185 1.00 1.00 H new ATOM 338 N ALA A 23 0.538 13.076 3.334 1.00 0.86 N ATOM 339 CA ALA A 23 1.224 13.108 4.656 1.00 0.93 C ATOM 340 C ALA A 23 2.719 12.823 4.480 1.00 0.85 C ATOM 341 O ALA A 23 3.555 13.413 5.136 1.00 0.95 O ATOM 342 CB ALA A 23 0.553 12.002 5.472 1.00 1.05 C ATOM 0 H ALA A 23 0.432 12.148 2.924 1.00 0.86 H new ATOM 0 HA ALA A 23 1.144 14.079 5.145 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.002 11.958 6.464 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.512 12.214 5.565 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.690 11.045 4.969 1.00 1.05 H new ATOM 348 N HIS A 24 3.063 11.926 3.594 1.00 0.83 N ATOM 349 CA HIS A 24 4.504 11.609 3.373 1.00 0.84 C ATOM 350 C HIS A 24 4.816 11.590 1.873 1.00 0.82 C ATOM 351 O HIS A 24 3.989 11.938 1.054 1.00 1.30 O ATOM 352 CB HIS A 24 4.706 10.221 3.983 1.00 0.95 C ATOM 353 CG HIS A 24 5.816 10.275 4.997 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.707 9.681 6.245 1.00 1.80 N ATOM 355 CD2 HIS A 24 7.064 10.848 4.963 1.00 1.84 C ATOM 356 CE1 HIS A 24 6.858 9.907 6.904 1.00 2.04 C ATOM 357 NE2 HIS A 24 7.720 10.614 6.168 1.00 2.00 N ATOM 0 H HIS A 24 2.409 11.400 3.015 1.00 0.83 H new ATOM 0 HA HIS A 24 5.164 12.350 3.825 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.784 9.882 4.455 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.948 9.500 3.202 1.00 0.95 H new ATOM 0 HD2 HIS A 24 7.474 11.397 4.128 1.00 1.84 H new ATOM 0 HE1 HIS A 24 7.060 9.559 7.906 1.00 2.04 H new ATOM 0 HE2 HIS A 24 8.657 10.917 6.432 1.00 2.00 H new ATOM 365 N LYS A 25 6.003 11.187 1.507 1.00 0.72 N ATOM 366 CA LYS A 25 6.363 11.149 0.058 1.00 0.69 C ATOM 367 C LYS A 25 5.886 9.839 -0.576 1.00 0.59 C ATOM 368 O LYS A 25 4.972 9.823 -1.375 1.00 0.68 O ATOM 369 CB LYS A 25 7.890 11.236 0.025 1.00 0.81 C ATOM 370 CG LYS A 25 8.321 12.230 -1.053 1.00 1.20 C ATOM 371 CD LYS A 25 9.600 12.943 -0.607 1.00 1.51 C ATOM 372 CE LYS A 25 10.795 12.001 -0.776 1.00 2.06 C ATOM 373 NZ LYS A 25 11.494 12.483 -1.999 1.00 2.47 N ATOM 0 H LYS A 25 6.738 10.883 2.146 1.00 0.72 H new ATOM 0 HA LYS A 25 5.896 11.959 -0.502 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.268 11.551 0.998 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.316 10.254 -0.179 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.492 11.710 -1.995 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.529 12.958 -1.230 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.750 13.847 -1.197 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.512 13.253 0.434 1.00 1.51 H new ATOM 0 HE2 LYS A 25 11.451 12.036 0.094 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.470 10.967 -0.889 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 12.326 11.886 -2.181 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 10.847 12.432 -2.812 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.798 13.468 -1.860 1.00 2.47 H new ATOM 387 N TYR A 26 6.497 8.739 -0.226 1.00 0.52 N ATOM 388 CA TYR A 26 6.075 7.436 -0.812 1.00 0.48 C ATOM 389 C TYR A 26 4.979 6.805 0.046 1.00 0.46 C ATOM 390 O TYR A 26 5.170 6.536 1.216 1.00 0.53 O ATOM 391 CB TYR A 26 7.330 6.564 -0.798 1.00 0.56 C ATOM 392 CG TYR A 26 8.420 7.236 -1.597 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.133 7.775 -2.858 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.715 7.319 -1.077 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.145 8.399 -3.598 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.728 7.942 -1.817 1.00 1.31 C ATOM 397 CZ TYR A 26 10.442 8.481 -3.078 1.00 1.08 C ATOM 398 OH TYR A 26 11.440 9.095 -3.808 1.00 1.33 O ATOM 0 H TYR A 26 7.269 8.687 0.439 1.00 0.52 H new ATOM 0 HA TYR A 26 5.671 7.550 -1.818 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.663 6.404 0.228 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.109 5.583 -1.218 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.132 7.709 -3.259 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.934 6.903 -0.105 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.925 8.817 -4.569 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.729 8.007 -1.416 1.00 1.31 H new ATOM 0 HH TYR A 26 12.279 9.067 -3.303 1.00 1.33 H new ATOM 408 N LEU A 27 3.832 6.566 -0.525 1.00 0.46 N ATOM 409 CA LEU A 27 2.728 5.954 0.263 1.00 0.45 C ATOM 410 C LEU A 27 2.117 4.786 -0.509 1.00 0.40 C ATOM 411 O LEU A 27 1.542 4.956 -1.566 1.00 0.50 O ATOM 412 CB LEU A 27 1.708 7.078 0.458 1.00 0.51 C ATOM 413 CG LEU A 27 1.437 7.275 1.953 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.781 6.016 2.521 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.756 7.541 2.688 1.00 0.66 C ATOM 0 H LEU A 27 3.612 6.767 -1.500 1.00 0.46 H new ATOM 0 HA LEU A 27 3.069 5.553 1.217 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.084 8.003 0.022 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.781 6.835 -0.061 1.00 0.51 H new ATOM 0 HG LEU A 27 0.771 8.127 2.090 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.588 6.155 3.585 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.160 5.830 2.002 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.447 5.164 2.381 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.559 7.681 3.751 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.426 6.692 2.552 1.00 0.66 H new ATOM 0 HD23 LEU A 27 3.222 8.440 2.285 1.00 0.66 H new ATOM 427 N LEU A 28 2.245 3.600 0.013 1.00 0.33 N ATOM 428 CA LEU A 28 1.680 2.410 -0.690 1.00 0.32 C ATOM 429 C LEU A 28 0.310 2.054 -0.111 1.00 0.29 C ATOM 430 O LEU A 28 0.160 1.845 1.077 1.00 0.35 O ATOM 431 CB LEU A 28 2.690 1.286 -0.430 1.00 0.40 C ATOM 432 CG LEU A 28 2.465 0.122 -1.407 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.120 -0.548 -1.115 1.00 1.12 C ATOM 434 CD2 LEU A 28 2.478 0.636 -2.847 1.00 0.73 C ATOM 0 H LEU A 28 2.716 3.400 0.896 1.00 0.33 H new ATOM 0 HA LEU A 28 1.532 2.587 -1.755 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.705 1.669 -0.539 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.592 0.931 0.596 1.00 0.40 H new ATOM 0 HG LEU A 28 3.267 -0.605 -1.280 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.966 -1.373 -1.811 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.118 -0.929 -0.094 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.318 0.180 -1.232 1.00 1.12 H new ATOM 0 HD21 LEU A 28 2.318 -0.197 -3.532 1.00 0.73 H new ATOM 0 HD22 LEU A 28 1.684 1.372 -2.978 1.00 0.73 H new ATOM 0 HD23 LEU A 28 3.441 1.100 -3.059 1.00 0.73 H new ATOM 446 N VAL A 29 -0.690 1.979 -0.944 1.00 0.32 N ATOM 447 CA VAL A 29 -2.050 1.630 -0.447 1.00 0.32 C ATOM 448 C VAL A 29 -2.590 0.410 -1.197 1.00 0.34 C ATOM 449 O VAL A 29 -2.349 0.240 -2.376 1.00 0.47 O ATOM 450 CB VAL A 29 -2.910 2.858 -0.738 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.330 2.605 -0.237 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.323 4.076 -0.019 1.00 0.77 C ATOM 0 H VAL A 29 -0.624 2.144 -1.948 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.047 1.378 0.613 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.928 3.047 -1.811 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.949 3.478 -0.442 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.747 1.737 -0.748 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.309 2.419 0.837 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.937 4.952 -0.227 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.306 3.891 1.055 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.307 4.253 -0.373 1.00 0.77 H new ATOM 462 N GLU A 30 -3.321 -0.440 -0.527 1.00 0.32 N ATOM 463 CA GLU A 30 -3.873 -1.644 -1.214 1.00 0.39 C ATOM 464 C GLU A 30 -5.307 -1.906 -0.744 1.00 0.36 C ATOM 465 O GLU A 30 -5.612 -1.826 0.429 1.00 0.42 O ATOM 466 CB GLU A 30 -2.939 -2.789 -0.812 1.00 0.52 C ATOM 467 CG GLU A 30 -3.509 -4.123 -1.304 1.00 0.64 C ATOM 468 CD GLU A 30 -2.520 -5.247 -0.986 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.686 -5.048 -0.117 1.00 1.48 O ATOM 470 OE2 GLU A 30 -2.612 -6.287 -1.617 1.00 1.60 O ATOM 0 H GLU A 30 -3.559 -0.354 0.461 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.919 -1.526 -2.297 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.948 -2.628 -1.237 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.822 -2.811 0.271 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.468 -4.321 -0.824 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.693 -4.079 -2.377 1.00 0.64 H new ATOM 477 N PHE A 31 -6.190 -2.210 -1.657 1.00 0.35 N ATOM 478 CA PHE A 31 -7.606 -2.464 -1.277 1.00 0.36 C ATOM 479 C PHE A 31 -7.876 -3.966 -1.158 1.00 0.39 C ATOM 480 O PHE A 31 -7.680 -4.718 -2.093 1.00 0.49 O ATOM 481 CB PHE A 31 -8.423 -1.869 -2.424 1.00 0.41 C ATOM 482 CG PHE A 31 -8.233 -0.372 -2.457 1.00 0.38 C ATOM 483 CD1 PHE A 31 -7.035 0.172 -2.937 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.255 0.473 -2.009 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.860 1.560 -2.968 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.080 1.861 -2.039 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.882 2.405 -2.519 1.00 0.53 C ATOM 0 H PHE A 31 -5.989 -2.293 -2.653 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.857 -2.025 -0.311 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.110 -2.306 -3.372 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.478 -2.109 -2.295 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.246 -0.480 -3.283 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.179 0.053 -1.640 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.936 1.980 -3.338 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.868 2.513 -1.692 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.747 3.476 -2.543 1.00 0.53 H new ATOM 497 N TYR A 32 -8.338 -4.407 -0.019 1.00 0.37 N ATOM 498 CA TYR A 32 -8.635 -5.858 0.151 1.00 0.44 C ATOM 499 C TYR A 32 -9.888 -6.039 1.021 1.00 0.40 C ATOM 500 O TYR A 32 -10.372 -5.104 1.629 1.00 0.45 O ATOM 501 CB TYR A 32 -7.382 -6.452 0.820 1.00 0.54 C ATOM 502 CG TYR A 32 -7.325 -6.079 2.288 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.799 -4.840 2.668 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.797 -6.969 3.260 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.744 -4.488 4.021 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.743 -6.616 4.615 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.226 -5.405 5.003 1.00 0.77 C ATOM 508 OH TYR A 32 -7.163 -5.028 6.330 1.00 0.94 O ATOM 0 H TYR A 32 -8.522 -3.827 0.799 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.845 -6.359 -0.794 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.389 -7.537 0.716 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.488 -6.089 0.313 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.435 -4.155 1.917 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.202 -7.926 2.966 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.341 -3.532 4.320 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.112 -7.304 5.362 1.00 0.79 H new ATOM 0 HH TYR A 32 -8.033 -4.676 6.612 1.00 0.94 H new ATOM 518 N ALA A 33 -10.416 -7.229 1.082 1.00 0.40 N ATOM 519 CA ALA A 33 -11.634 -7.464 1.908 1.00 0.44 C ATOM 520 C ALA A 33 -11.483 -8.765 2.707 1.00 0.53 C ATOM 521 O ALA A 33 -10.631 -9.577 2.405 1.00 0.56 O ATOM 522 CB ALA A 33 -12.777 -7.586 0.900 1.00 0.49 C ATOM 0 H ALA A 33 -10.057 -8.050 0.595 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.809 -6.664 2.628 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.713 -7.761 1.431 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.854 -6.664 0.323 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.581 -8.420 0.226 1.00 0.49 H new ATOM 528 N PRO A 34 -12.322 -8.929 3.701 1.00 0.63 N ATOM 529 CA PRO A 34 -12.273 -10.154 4.537 1.00 0.78 C ATOM 530 C PRO A 34 -12.713 -11.369 3.716 1.00 0.82 C ATOM 531 O PRO A 34 -12.357 -12.493 4.011 1.00 0.96 O ATOM 532 CB PRO A 34 -13.265 -9.862 5.661 1.00 0.90 C ATOM 533 CG PRO A 34 -14.199 -8.846 5.085 1.00 0.81 C ATOM 534 CD PRO A 34 -13.386 -8.012 4.134 1.00 0.66 C ATOM 0 HA PRO A 34 -11.275 -10.383 4.911 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.798 -10.764 5.964 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.759 -9.478 6.547 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.027 -9.330 4.567 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.632 -8.227 5.871 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.984 -7.665 3.292 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.979 -7.127 4.623 1.00 0.66 H new ATOM 542 N TRP A 35 -13.480 -11.151 2.683 1.00 0.74 N ATOM 543 CA TRP A 35 -13.935 -12.293 1.838 1.00 0.83 C ATOM 544 C TRP A 35 -13.108 -12.374 0.548 1.00 0.78 C ATOM 545 O TRP A 35 -13.376 -13.183 -0.318 1.00 0.92 O ATOM 546 CB TRP A 35 -15.404 -12.003 1.518 1.00 0.91 C ATOM 547 CG TRP A 35 -15.530 -10.668 0.856 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.856 -9.516 1.489 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.349 -10.324 -0.548 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.882 -8.490 0.564 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.577 -8.937 -0.706 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.010 -11.075 -1.689 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.473 -8.315 -1.950 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.906 -10.452 -2.944 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.137 -9.075 -3.074 1.00 2.26 C ATOM 0 H TRP A 35 -13.811 -10.233 2.387 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.813 -13.248 2.349 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.803 -12.780 0.866 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.995 -12.021 2.434 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -16.062 -9.416 2.544 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.100 -7.520 0.792 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.829 -12.136 -1.599 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.651 -7.254 -2.044 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.647 -11.037 -3.814 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.055 -8.602 -4.042 1.00 2.26 H new ATOM 566 N CYS A 36 -12.100 -11.548 0.410 1.00 0.65 N ATOM 567 CA CYS A 36 -11.263 -11.595 -0.823 1.00 0.67 C ATOM 568 C CYS A 36 -10.768 -13.024 -1.071 1.00 0.84 C ATOM 569 O CYS A 36 -11.064 -13.628 -2.082 1.00 1.63 O ATOM 570 CB CYS A 36 -10.089 -10.660 -0.534 1.00 0.58 C ATOM 571 SG CYS A 36 -8.941 -10.672 -1.933 1.00 1.07 S ATOM 0 H CYS A 36 -11.823 -10.846 1.097 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.815 -11.294 -1.713 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.453 -9.648 -0.358 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.575 -10.976 0.374 1.00 0.58 H new ATOM 576 N GLY A 37 -10.020 -13.569 -0.150 1.00 0.96 N ATOM 577 CA GLY A 37 -9.512 -14.956 -0.330 1.00 1.08 C ATOM 578 C GLY A 37 -8.105 -14.917 -0.930 1.00 1.00 C ATOM 579 O GLY A 37 -7.206 -15.593 -0.472 1.00 1.83 O ATOM 0 H GLY A 37 -9.740 -13.113 0.718 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.495 -15.474 0.629 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.181 -15.516 -0.983 1.00 1.08 H new ATOM 583 N HIS A 38 -7.907 -14.132 -1.955 1.00 0.89 N ATOM 584 CA HIS A 38 -6.555 -14.057 -2.582 1.00 0.97 C ATOM 585 C HIS A 38 -5.788 -12.826 -2.082 1.00 0.88 C ATOM 586 O HIS A 38 -4.738 -12.493 -2.592 1.00 1.13 O ATOM 587 CB HIS A 38 -6.821 -13.947 -4.082 1.00 1.32 C ATOM 588 CG HIS A 38 -5.552 -14.226 -4.836 1.00 1.72 C ATOM 589 ND1 HIS A 38 -4.834 -13.224 -5.470 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.857 -15.388 -5.065 1.00 2.35 C ATOM 591 CE1 HIS A 38 -3.760 -13.797 -6.044 1.00 2.85 C ATOM 592 NE2 HIS A 38 -3.726 -15.114 -5.828 1.00 2.87 N ATOM 0 H HIS A 38 -8.620 -13.542 -2.384 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.944 -14.925 -2.334 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.596 -14.654 -4.378 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -7.190 -12.950 -4.325 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -5.144 -16.366 -4.707 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -3.016 -13.257 -6.611 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -3.022 -15.777 -6.153 1.00 2.87 H new ATOM 600 N CYS A 39 -6.295 -12.154 -1.084 1.00 0.79 N ATOM 601 CA CYS A 39 -5.579 -10.958 -0.558 1.00 0.88 C ATOM 602 C CYS A 39 -4.645 -11.387 0.572 1.00 0.82 C ATOM 603 O CYS A 39 -3.572 -10.845 0.750 1.00 1.00 O ATOM 604 CB CYS A 39 -6.679 -10.034 -0.037 1.00 1.08 C ATOM 605 SG CYS A 39 -7.555 -9.294 -1.437 1.00 1.00 S ATOM 0 H CYS A 39 -7.170 -12.381 -0.612 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.969 -10.462 -1.312 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.375 -10.595 0.587 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.247 -9.254 0.590 1.00 1.08 H new ATOM 610 N LYS A 40 -5.047 -12.366 1.331 1.00 0.78 N ATOM 611 CA LYS A 40 -4.188 -12.851 2.449 1.00 0.94 C ATOM 612 C LYS A 40 -2.994 -13.648 1.903 1.00 0.84 C ATOM 613 O LYS A 40 -2.068 -13.963 2.624 1.00 0.94 O ATOM 614 CB LYS A 40 -5.103 -13.749 3.290 1.00 1.21 C ATOM 615 CG LYS A 40 -5.514 -14.983 2.481 1.00 1.56 C ATOM 616 CD LYS A 40 -6.575 -15.769 3.255 1.00 2.11 C ATOM 617 CE LYS A 40 -6.579 -17.225 2.783 1.00 2.72 C ATOM 618 NZ LYS A 40 -7.578 -17.268 1.680 1.00 3.29 N ATOM 0 H LYS A 40 -5.937 -12.854 1.226 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.772 -12.031 3.035 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.588 -14.056 4.200 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.989 -13.193 3.597 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.906 -14.681 1.510 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.645 -15.613 2.292 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -6.369 -15.723 4.324 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.558 -15.323 3.101 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -5.592 -17.530 2.434 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -6.854 -17.902 3.592 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -7.553 -18.203 1.226 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -8.528 -17.095 2.065 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.351 -16.536 0.977 1.00 3.29 H new ATOM 632 N ALA A 41 -3.008 -13.983 0.637 1.00 0.77 N ATOM 633 CA ALA A 41 -1.875 -14.760 0.053 1.00 0.86 C ATOM 634 C ALA A 41 -0.531 -14.126 0.428 1.00 0.75 C ATOM 635 O ALA A 41 0.476 -14.799 0.530 1.00 0.90 O ATOM 636 CB ALA A 41 -2.092 -14.697 -1.458 1.00 0.93 C ATOM 0 H ALA A 41 -3.756 -13.751 -0.017 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.850 -15.785 0.424 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.298 -15.247 -1.963 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -3.056 -15.142 -1.706 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.078 -13.657 -1.785 1.00 0.93 H new ATOM 642 N LEU A 42 -0.504 -12.838 0.638 1.00 0.65 N ATOM 643 CA LEU A 42 0.779 -12.174 1.009 1.00 0.67 C ATOM 644 C LEU A 42 0.584 -11.303 2.256 1.00 0.63 C ATOM 645 O LEU A 42 1.350 -10.398 2.520 1.00 0.70 O ATOM 646 CB LEU A 42 1.167 -11.325 -0.209 1.00 0.82 C ATOM 647 CG LEU A 42 0.154 -10.194 -0.424 1.00 0.86 C ATOM 648 CD1 LEU A 42 0.830 -9.048 -1.181 1.00 1.24 C ATOM 649 CD2 LEU A 42 -1.028 -10.716 -1.246 1.00 1.37 C ATOM 0 H LEU A 42 -1.311 -12.218 0.569 1.00 0.65 H new ATOM 0 HA LEU A 42 1.561 -12.893 1.253 1.00 0.67 H new ATOM 0 HB2 LEU A 42 2.163 -10.906 -0.064 1.00 0.82 H new ATOM 0 HB3 LEU A 42 1.212 -11.954 -1.098 1.00 0.82 H new ATOM 0 HG LEU A 42 -0.204 -9.837 0.542 1.00 0.86 H new ATOM 0 HD11 LEU A 42 0.113 -8.242 -1.336 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.674 -8.676 -0.600 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.185 -9.409 -2.146 1.00 1.24 H new ATOM 0 HD21 LEU A 42 -1.748 -9.912 -1.399 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.670 -11.071 -2.212 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -1.508 -11.536 -0.713 1.00 1.37 H new ATOM 661 N ALA A 43 -0.435 -11.577 3.026 1.00 0.71 N ATOM 662 CA ALA A 43 -0.685 -10.778 4.261 1.00 0.73 C ATOM 663 C ALA A 43 0.598 -10.655 5.096 1.00 0.67 C ATOM 664 O ALA A 43 1.019 -9.561 5.416 1.00 0.65 O ATOM 665 CB ALA A 43 -1.754 -11.560 5.024 1.00 0.88 C ATOM 0 H ALA A 43 -1.108 -12.323 2.852 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.004 -9.761 4.035 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.996 -11.037 5.949 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.651 -11.645 4.410 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.379 -12.556 5.257 1.00 0.88 H new ATOM 671 N PRO A 44 1.189 -11.783 5.424 1.00 0.69 N ATOM 672 CA PRO A 44 2.438 -11.770 6.226 1.00 0.70 C ATOM 673 C PRO A 44 3.626 -11.298 5.376 1.00 0.59 C ATOM 674 O PRO A 44 4.725 -11.137 5.868 1.00 0.65 O ATOM 675 CB PRO A 44 2.612 -13.223 6.651 1.00 0.83 C ATOM 676 CG PRO A 44 1.875 -14.022 5.622 1.00 0.84 C ATOM 677 CD PRO A 44 0.766 -13.151 5.086 1.00 0.76 C ATOM 0 HA PRO A 44 2.389 -11.088 7.075 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.666 -13.500 6.685 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.205 -13.393 7.648 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.546 -14.327 4.819 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.469 -14.933 6.061 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.645 -13.277 4.010 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.191 -13.397 5.545 1.00 0.76 H new ATOM 685 N GLU A 45 3.414 -11.055 4.109 1.00 0.53 N ATOM 686 CA GLU A 45 4.518 -10.575 3.245 1.00 0.46 C ATOM 687 C GLU A 45 4.439 -9.054 3.190 1.00 0.41 C ATOM 688 O GLU A 45 5.393 -8.352 3.461 1.00 0.47 O ATOM 689 CB GLU A 45 4.225 -11.188 1.878 1.00 0.48 C ATOM 690 CG GLU A 45 4.241 -12.716 1.984 1.00 0.61 C ATOM 691 CD GLU A 45 2.863 -13.278 1.621 1.00 1.12 C ATOM 692 OE1 GLU A 45 1.932 -12.496 1.510 1.00 1.90 O ATOM 693 OE2 GLU A 45 2.761 -14.482 1.460 1.00 1.83 O ATOM 0 H GLU A 45 2.516 -11.171 3.639 1.00 0.53 H new ATOM 0 HA GLU A 45 5.513 -10.849 3.596 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.254 -10.849 1.517 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.968 -10.856 1.153 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.999 -13.128 1.317 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.511 -13.016 2.997 1.00 0.61 H new ATOM 700 N TYR A 46 3.283 -8.551 2.876 1.00 0.43 N ATOM 701 CA TYR A 46 3.089 -7.079 2.834 1.00 0.48 C ATOM 702 C TYR A 46 3.133 -6.525 4.274 1.00 0.52 C ATOM 703 O TYR A 46 3.247 -5.334 4.484 1.00 0.69 O ATOM 704 CB TYR A 46 1.701 -6.919 2.177 1.00 0.64 C ATOM 705 CG TYR A 46 1.010 -5.648 2.627 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.344 -5.626 3.856 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.025 -4.504 1.818 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.308 -4.463 4.279 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.375 -3.339 2.242 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.294 -3.320 3.471 1.00 1.50 C ATOM 711 OH TYR A 46 -0.937 -2.175 3.889 1.00 1.95 O ATOM 0 H TYR A 46 2.456 -9.101 2.644 1.00 0.43 H new ATOM 0 HA TYR A 46 3.853 -6.533 2.281 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.811 -6.909 1.093 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.079 -7.779 2.426 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.333 -6.508 4.479 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.538 -4.521 0.868 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.822 -4.447 5.229 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.390 -2.455 1.621 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.275 -1.475 4.068 1.00 1.95 H new ATOM 721 N ALA A 47 3.038 -7.382 5.262 1.00 0.53 N ATOM 722 CA ALA A 47 3.068 -6.902 6.673 1.00 0.62 C ATOM 723 C ALA A 47 4.504 -6.879 7.209 1.00 0.58 C ATOM 724 O ALA A 47 4.812 -6.175 8.149 1.00 0.68 O ATOM 725 CB ALA A 47 2.226 -7.914 7.451 1.00 0.73 C ATOM 0 H ALA A 47 2.941 -8.391 5.149 1.00 0.53 H new ATOM 0 HA ALA A 47 2.684 -5.886 6.765 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.198 -7.631 8.503 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.212 -7.927 7.051 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.667 -8.906 7.354 1.00 0.73 H new ATOM 731 N LYS A 48 5.386 -7.647 6.627 1.00 0.51 N ATOM 732 CA LYS A 48 6.795 -7.664 7.120 1.00 0.55 C ATOM 733 C LYS A 48 7.694 -6.822 6.210 1.00 0.53 C ATOM 734 O LYS A 48 8.774 -6.418 6.594 1.00 0.65 O ATOM 735 CB LYS A 48 7.214 -9.133 7.076 1.00 0.60 C ATOM 736 CG LYS A 48 7.783 -9.544 8.435 1.00 1.03 C ATOM 737 CD LYS A 48 6.670 -10.156 9.291 1.00 1.41 C ATOM 738 CE LYS A 48 6.885 -9.775 10.757 1.00 1.92 C ATOM 739 NZ LYS A 48 7.091 -11.069 11.464 1.00 2.47 N ATOM 0 H LYS A 48 5.194 -8.261 5.835 1.00 0.51 H new ATOM 0 HA LYS A 48 6.882 -7.244 8.122 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.358 -9.759 6.824 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.960 -9.286 6.296 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.590 -10.264 8.300 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.210 -8.677 8.940 1.00 1.03 H new ATOM 0 HD2 LYS A 48 5.698 -9.800 8.951 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.668 -11.241 9.183 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.749 -9.120 10.872 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.024 -9.240 11.156 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.245 -10.890 12.477 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 6.250 -11.669 11.342 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.922 -11.553 11.067 1.00 2.47 H new ATOM 753 N ALA A 49 7.264 -6.560 5.007 1.00 0.47 N ATOM 754 CA ALA A 49 8.102 -5.749 4.077 1.00 0.50 C ATOM 755 C ALA A 49 8.265 -4.318 4.604 1.00 0.53 C ATOM 756 O ALA A 49 9.140 -3.589 4.180 1.00 0.65 O ATOM 757 CB ALA A 49 7.334 -5.747 2.757 1.00 0.55 C ATOM 0 H ALA A 49 6.370 -6.871 4.627 1.00 0.47 H new ATOM 0 HA ALA A 49 9.106 -6.158 3.969 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.886 -5.169 2.016 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.216 -6.771 2.403 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.352 -5.300 2.908 1.00 0.55 H new ATOM 763 N ALA A 50 7.431 -3.907 5.522 1.00 0.54 N ATOM 764 CA ALA A 50 7.544 -2.521 6.064 1.00 0.65 C ATOM 765 C ALA A 50 8.662 -2.445 7.108 1.00 0.65 C ATOM 766 O ALA A 50 9.228 -1.398 7.349 1.00 0.77 O ATOM 767 CB ALA A 50 6.188 -2.237 6.710 1.00 0.76 C ATOM 0 H ALA A 50 6.678 -4.469 5.919 1.00 0.54 H new ATOM 0 HA ALA A 50 7.788 -1.795 5.288 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.190 -1.233 7.134 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.403 -2.312 5.957 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.002 -2.964 7.501 1.00 0.76 H new ATOM 773 N GLY A 51 8.982 -3.545 7.731 1.00 0.59 N ATOM 774 CA GLY A 51 10.062 -3.529 8.759 1.00 0.69 C ATOM 775 C GLY A 51 11.424 -3.660 8.075 1.00 0.78 C ATOM 776 O GLY A 51 12.430 -3.205 8.583 1.00 0.90 O ATOM 0 H GLY A 51 8.544 -4.453 7.574 1.00 0.59 H new ATOM 0 HA2 GLY A 51 10.019 -2.603 9.332 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.918 -4.347 9.465 1.00 0.69 H new ATOM 780 N LYS A 52 11.465 -4.279 6.928 1.00 0.80 N ATOM 781 CA LYS A 52 12.764 -4.440 6.214 1.00 1.01 C ATOM 782 C LYS A 52 13.441 -3.080 6.027 1.00 1.12 C ATOM 783 O LYS A 52 14.591 -2.897 6.374 1.00 1.31 O ATOM 784 CB LYS A 52 12.399 -5.048 4.860 1.00 1.15 C ATOM 785 CG LYS A 52 12.324 -6.570 4.987 1.00 1.49 C ATOM 786 CD LYS A 52 12.968 -7.217 3.759 1.00 1.97 C ATOM 787 CE LYS A 52 14.075 -8.175 4.207 1.00 2.64 C ATOM 788 NZ LYS A 52 13.456 -9.529 4.151 1.00 3.08 N ATOM 0 H LYS A 52 10.656 -4.680 6.454 1.00 0.80 H new ATOM 0 HA LYS A 52 13.463 -5.067 6.768 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.442 -4.653 4.519 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.143 -4.771 4.113 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.835 -6.896 5.893 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.285 -6.887 5.076 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.216 -7.757 3.183 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.380 -6.449 3.104 1.00 1.97 H new ATOM 0 HE2 LYS A 52 14.943 -8.110 3.551 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.418 -7.939 5.214 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.154 -10.242 4.445 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 12.636 -9.563 4.790 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 13.145 -9.729 3.179 1.00 3.08 H new ATOM 802 N LEU A 53 12.739 -2.125 5.482 1.00 1.12 N ATOM 803 CA LEU A 53 13.347 -0.780 5.274 1.00 1.33 C ATOM 804 C LEU A 53 13.586 -0.089 6.621 1.00 1.30 C ATOM 805 O LEU A 53 14.401 0.804 6.736 1.00 1.50 O ATOM 806 CB LEU A 53 12.325 -0.005 4.440 1.00 1.55 C ATOM 807 CG LEU A 53 11.032 0.174 5.240 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.983 1.590 5.819 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.829 -0.040 4.320 1.00 1.82 C ATOM 0 H LEU A 53 11.772 -2.217 5.172 1.00 1.12 H new ATOM 0 HA LEU A 53 14.315 -0.838 4.776 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.730 0.968 4.164 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.119 -0.539 3.513 1.00 1.55 H new ATOM 0 HG LEU A 53 11.004 -0.553 6.051 1.00 1.47 H new ATOM 0 HD11 LEU A 53 10.063 1.718 6.389 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.840 1.745 6.474 1.00 2.07 H new ATOM 0 HD13 LEU A 53 11.011 2.316 5.007 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.908 0.087 4.889 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.857 0.687 3.509 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.863 -1.047 3.905 1.00 1.82 H new ATOM 821 N LYS A 54 12.881 -0.496 7.642 1.00 1.20 N ATOM 822 CA LYS A 54 13.073 0.139 8.977 1.00 1.35 C ATOM 823 C LYS A 54 14.539 0.034 9.402 1.00 1.40 C ATOM 824 O LYS A 54 15.047 0.867 10.127 1.00 1.67 O ATOM 825 CB LYS A 54 12.178 -0.655 9.930 1.00 1.46 C ATOM 826 CG LYS A 54 11.732 0.247 11.083 1.00 1.91 C ATOM 827 CD LYS A 54 10.288 0.698 10.851 1.00 2.50 C ATOM 828 CE LYS A 54 9.656 1.097 12.186 1.00 2.87 C ATOM 829 NZ LYS A 54 8.445 1.882 11.819 1.00 3.88 N ATOM 0 H LYS A 54 12.182 -1.239 7.610 1.00 1.20 H new ATOM 0 HA LYS A 54 12.818 1.199 8.971 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.308 -1.037 9.396 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.718 -1.519 10.318 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.809 -0.289 12.029 1.00 1.91 H new ATOM 0 HG3 LYS A 54 12.388 1.115 11.154 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.266 1.541 10.160 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.714 -0.107 10.391 1.00 2.50 H new ATOM 0 HE2 LYS A 54 9.393 0.219 12.777 1.00 2.87 H new ATOM 0 HE3 LYS A 54 10.345 1.691 12.787 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 7.957 2.191 12.684 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 8.726 2.715 11.263 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 7.805 1.289 11.253 1.00 3.88 H new ATOM 843 N ALA A 55 15.226 -0.981 8.953 1.00 1.63 N ATOM 844 CA ALA A 55 16.660 -1.135 9.329 1.00 2.20 C ATOM 845 C ALA A 55 17.526 -0.179 8.502 1.00 2.03 C ATOM 846 O ALA A 55 18.600 0.212 8.913 1.00 2.38 O ATOM 847 CB ALA A 55 17.005 -2.588 9.001 1.00 2.78 C ATOM 0 H ALA A 55 14.856 -1.710 8.342 1.00 1.63 H new ATOM 0 HA ALA A 55 16.839 -0.902 10.379 1.00 2.20 H new ATOM 0 HB1 ALA A 55 18.048 -2.780 9.251 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.365 -3.254 9.580 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.848 -2.768 7.938 1.00 2.78 H new ATOM 853 N GLU A 56 17.064 0.201 7.343 1.00 1.67 N ATOM 854 CA GLU A 56 17.858 1.134 6.493 1.00 1.70 C ATOM 855 C GLU A 56 17.420 2.577 6.743 1.00 1.53 C ATOM 856 O GLU A 56 18.202 3.501 6.646 1.00 1.98 O ATOM 857 CB GLU A 56 17.549 0.719 5.055 1.00 1.99 C ATOM 858 CG GLU A 56 18.142 -0.665 4.787 1.00 2.69 C ATOM 859 CD GLU A 56 18.955 -1.117 6.002 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.354 -1.603 6.945 1.00 3.63 O ATOM 861 OE2 GLU A 56 20.165 -0.967 5.967 1.00 3.64 O ATOM 0 H GLU A 56 16.171 -0.094 6.947 1.00 1.67 H new ATOM 0 HA GLU A 56 18.925 1.085 6.710 1.00 1.70 H new ATOM 0 HB2 GLU A 56 16.471 0.702 4.893 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.965 1.446 4.358 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.345 -1.380 4.583 1.00 2.69 H new ATOM 0 HG3 GLU A 56 18.777 -0.635 3.902 1.00 2.69 H new ATOM 868 N GLY A 57 16.172 2.776 7.064 1.00 1.58 N ATOM 869 CA GLY A 57 15.680 4.157 7.321 1.00 2.25 C ATOM 870 C GLY A 57 15.087 4.741 6.037 1.00 1.97 C ATOM 871 O GLY A 57 15.123 5.934 5.811 1.00 2.50 O ATOM 0 H GLY A 57 15.471 2.041 7.159 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.926 4.144 8.108 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.498 4.785 7.674 1.00 2.25 H new ATOM 875 N SER A 58 14.539 3.911 5.189 1.00 1.30 N ATOM 876 CA SER A 58 13.945 4.424 3.924 1.00 1.23 C ATOM 877 C SER A 58 12.683 5.235 4.227 1.00 1.03 C ATOM 878 O SER A 58 12.036 5.043 5.237 1.00 1.27 O ATOM 879 CB SER A 58 13.602 3.174 3.113 1.00 1.53 C ATOM 880 OG SER A 58 13.469 3.522 1.742 1.00 2.13 O ATOM 0 H SER A 58 14.478 2.901 5.319 1.00 1.30 H new ATOM 0 HA SER A 58 14.624 5.084 3.384 1.00 1.23 H new ATOM 0 HB2 SER A 58 14.382 2.423 3.235 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.675 2.733 3.479 1.00 1.53 H new ATOM 0 HG SER A 58 13.410 2.707 1.202 1.00 2.13 H new ATOM 886 N GLU A 59 12.330 6.143 3.360 1.00 0.85 N ATOM 887 CA GLU A 59 11.115 6.972 3.595 1.00 0.87 C ATOM 888 C GLU A 59 9.897 6.331 2.924 1.00 0.76 C ATOM 889 O GLU A 59 9.075 7.006 2.335 1.00 1.06 O ATOM 890 CB GLU A 59 11.437 8.315 2.944 1.00 1.10 C ATOM 891 CG GLU A 59 11.697 8.107 1.450 1.00 1.05 C ATOM 892 CD GLU A 59 10.417 7.615 0.772 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.348 7.918 1.277 1.00 2.13 O ATOM 894 OE2 GLU A 59 10.527 6.946 -0.241 1.00 2.22 O ATOM 0 H GLU A 59 12.832 6.347 2.496 1.00 0.85 H new ATOM 0 HA GLU A 59 10.876 7.071 4.654 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.609 9.009 3.087 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.312 8.761 3.418 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.027 9.041 0.994 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.498 7.382 1.307 1.00 1.05 H new ATOM 901 N ILE A 60 9.774 5.035 3.003 1.00 0.59 N ATOM 902 CA ILE A 60 8.603 4.358 2.359 1.00 0.57 C ATOM 903 C ILE A 60 7.589 3.954 3.432 1.00 0.52 C ATOM 904 O ILE A 60 7.949 3.610 4.541 1.00 0.63 O ATOM 905 CB ILE A 60 9.123 3.088 1.639 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.639 3.142 1.373 1.00 1.46 C ATOM 907 CG2 ILE A 60 8.396 2.945 0.301 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.990 4.417 0.606 1.00 1.60 C ATOM 0 H ILE A 60 10.427 4.415 3.482 1.00 0.59 H new ATOM 0 HA ILE A 60 8.119 5.030 1.650 1.00 0.57 H new ATOM 0 HB ILE A 60 8.929 2.237 2.291 1.00 0.68 H new ATOM 0 HG12 ILE A 60 11.183 3.114 2.317 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.948 2.267 0.801 1.00 1.46 H new ATOM 0 HG21 ILE A 60 8.754 2.054 -0.214 1.00 1.34 H new ATOM 0 HG22 ILE A 60 7.324 2.856 0.477 1.00 1.34 H new ATOM 0 HG23 ILE A 60 8.591 3.823 -0.315 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.064 4.447 0.422 1.00 1.60 H new ATOM 0 HD12 ILE A 60 10.459 4.427 -0.346 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.698 5.287 1.194 1.00 1.60 H new ATOM 920 N ARG A 61 6.324 3.985 3.112 1.00 0.45 N ATOM 921 CA ARG A 61 5.294 3.595 4.119 1.00 0.45 C ATOM 922 C ARG A 61 4.230 2.698 3.477 1.00 0.41 C ATOM 923 O ARG A 61 3.697 3.002 2.428 1.00 0.55 O ATOM 924 CB ARG A 61 4.673 4.912 4.587 1.00 0.51 C ATOM 925 CG ARG A 61 4.245 4.783 6.050 1.00 0.75 C ATOM 926 CD ARG A 61 5.065 5.748 6.912 1.00 0.97 C ATOM 927 NE ARG A 61 4.251 6.994 6.972 1.00 1.30 N ATOM 928 CZ ARG A 61 3.994 7.552 8.125 1.00 1.66 C ATOM 929 NH1 ARG A 61 4.867 7.484 9.093 1.00 2.19 N ATOM 930 NH2 ARG A 61 2.865 8.179 8.309 1.00 2.21 N ATOM 0 H ARG A 61 5.959 4.262 2.201 1.00 0.45 H new ATOM 0 HA ARG A 61 5.725 3.031 4.946 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.392 5.724 4.478 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.813 5.162 3.966 1.00 0.51 H new ATOM 0 HG2 ARG A 61 3.182 5.004 6.149 1.00 0.75 H new ATOM 0 HG3 ARG A 61 4.391 3.759 6.393 1.00 0.75 H new ATOM 0 HD2 ARG A 61 5.237 5.340 7.908 1.00 0.97 H new ATOM 0 HD3 ARG A 61 6.044 5.936 6.472 1.00 0.97 H new ATOM 0 HE ARG A 61 3.894 7.412 6.113 1.00 1.30 H new ATOM 0 HH11 ARG A 61 5.751 6.995 8.949 1.00 2.19 H new ATOM 0 HH12 ARG A 61 4.666 7.920 9.993 1.00 2.19 H new ATOM 0 HH21 ARG A 61 2.183 8.234 7.553 1.00 2.21 H new ATOM 0 HH22 ARG A 61 2.664 8.615 9.209 1.00 2.21 H new ATOM 944 N LEU A 62 3.918 1.594 4.103 1.00 0.35 N ATOM 945 CA LEU A 62 2.887 0.675 3.536 1.00 0.36 C ATOM 946 C LEU A 62 1.516 0.979 4.149 1.00 0.32 C ATOM 947 O LEU A 62 1.423 1.461 5.261 1.00 0.38 O ATOM 948 CB LEU A 62 3.352 -0.729 3.929 1.00 0.48 C ATOM 949 CG LEU A 62 4.159 -1.341 2.782 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.467 -0.566 2.606 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.475 -2.804 3.104 1.00 1.22 C ATOM 0 H LEU A 62 4.333 1.289 4.983 1.00 0.35 H new ATOM 0 HA LEU A 62 2.783 0.783 2.456 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.961 -0.682 4.832 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.491 -1.358 4.158 1.00 0.48 H new ATOM 0 HG LEU A 62 3.578 -1.287 1.862 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.041 -1.002 1.789 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.244 0.476 2.377 1.00 1.59 H new ATOM 0 HD13 LEU A 62 6.048 -0.619 3.527 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.050 -3.240 2.287 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.056 -2.857 4.025 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.545 -3.358 3.229 1.00 1.22 H new ATOM 963 N ALA A 63 0.449 0.706 3.442 1.00 0.30 N ATOM 964 CA ALA A 63 -0.902 0.995 4.014 1.00 0.32 C ATOM 965 C ALA A 63 -1.983 0.202 3.276 1.00 0.31 C ATOM 966 O ALA A 63 -1.850 -0.117 2.110 1.00 0.37 O ATOM 967 CB ALA A 63 -1.108 2.495 3.808 1.00 0.37 C ATOM 0 H ALA A 63 0.452 0.301 2.506 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.967 0.711 5.064 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.081 2.786 4.203 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.325 3.045 4.330 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.065 2.725 2.743 1.00 0.37 H new ATOM 973 N LYS A 64 -3.059 -0.120 3.943 1.00 0.30 N ATOM 974 CA LYS A 64 -4.140 -0.889 3.260 1.00 0.32 C ATOM 975 C LYS A 64 -5.520 -0.418 3.705 1.00 0.32 C ATOM 976 O LYS A 64 -5.668 0.321 4.657 1.00 0.40 O ATOM 977 CB LYS A 64 -3.936 -2.355 3.650 1.00 0.38 C ATOM 978 CG LYS A 64 -3.721 -2.482 5.164 1.00 1.39 C ATOM 979 CD LYS A 64 -3.834 -3.951 5.576 1.00 1.60 C ATOM 980 CE LYS A 64 -3.211 -4.143 6.959 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.782 -5.427 7.459 1.00 2.26 N ATOM 0 H LYS A 64 -3.236 0.113 4.920 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.089 -0.746 2.181 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.804 -2.942 3.349 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.076 -2.763 3.119 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.740 -2.092 5.436 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.461 -1.886 5.698 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.880 -4.256 5.592 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.328 -4.584 4.847 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.124 -4.190 6.900 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -3.459 -3.315 7.623 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.403 -5.630 8.406 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -4.818 -5.350 7.510 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.524 -6.198 6.810 1.00 2.26 H new ATOM 995 N VAL A 65 -6.528 -0.857 3.012 1.00 0.30 N ATOM 996 CA VAL A 65 -7.921 -0.457 3.373 1.00 0.32 C ATOM 997 C VAL A 65 -8.864 -1.657 3.254 1.00 0.31 C ATOM 998 O VAL A 65 -8.586 -2.614 2.559 1.00 0.36 O ATOM 999 CB VAL A 65 -8.313 0.634 2.366 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -8.072 0.131 0.940 1.00 0.70 C ATOM 1001 CG2 VAL A 65 -9.798 0.982 2.531 1.00 0.45 C ATOM 0 H VAL A 65 -6.452 -1.478 2.207 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.986 -0.098 4.400 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.707 1.521 2.549 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -8.351 0.908 0.228 1.00 0.70 H new ATOM 0 HG12 VAL A 65 -7.017 -0.114 0.814 1.00 0.70 H new ATOM 0 HG13 VAL A 65 -8.675 -0.759 0.761 1.00 0.70 H new ATOM 0 HG21 VAL A 65 -10.072 1.757 1.815 1.00 0.45 H new ATOM 0 HG22 VAL A 65 -10.402 0.092 2.353 1.00 0.45 H new ATOM 0 HG23 VAL A 65 -9.976 1.345 3.543 1.00 0.45 H new ATOM 1011 N ASP A 66 -9.985 -1.603 3.919 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.956 -2.728 3.836 1.00 0.39 C ATOM 1013 C ASP A 66 -12.014 -2.412 2.778 1.00 0.40 C ATOM 1014 O ASP A 66 -12.997 -1.750 3.046 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.592 -2.809 5.225 1.00 0.47 C ATOM 1016 CG ASP A 66 -11.013 -4.006 5.982 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.935 -4.447 5.617 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -11.657 -4.461 6.912 1.00 1.30 O ATOM 0 H ASP A 66 -10.270 -0.827 4.517 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.485 -3.670 3.555 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.402 -1.889 5.778 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.674 -2.910 5.136 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.816 -2.874 1.572 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.804 -2.597 0.485 1.00 0.46 C ATOM 1025 C ALA A 67 -14.230 -2.888 0.964 1.00 0.51 C ATOM 1026 O ALA A 67 -15.188 -2.316 0.482 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.418 -3.544 -0.650 1.00 0.51 C ATOM 0 H ALA A 67 -11.011 -3.433 1.291 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.786 -1.553 0.173 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.099 -3.402 -1.490 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.398 -3.332 -0.970 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.482 -4.575 -0.301 1.00 0.51 H new ATOM 1033 N THR A 68 -14.376 -3.772 1.910 1.00 0.53 N ATOM 1034 CA THR A 68 -15.739 -4.098 2.423 1.00 0.62 C ATOM 1035 C THR A 68 -16.206 -3.017 3.402 1.00 0.64 C ATOM 1036 O THR A 68 -17.386 -2.863 3.653 1.00 0.86 O ATOM 1037 CB THR A 68 -15.587 -5.441 3.138 1.00 0.66 C ATOM 1038 OG1 THR A 68 -16.829 -5.807 3.722 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.523 -5.324 4.230 1.00 1.35 C ATOM 0 H THR A 68 -13.612 -4.284 2.351 1.00 0.53 H new ATOM 0 HA THR A 68 -16.479 -4.146 1.625 1.00 0.62 H new ATOM 0 HB THR A 68 -15.283 -6.202 2.420 1.00 0.66 H new ATOM 0 HG1 THR A 68 -16.734 -6.668 4.180 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.416 -6.282 4.738 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.570 -5.043 3.781 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.823 -4.563 4.950 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.294 -2.262 3.953 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.692 -1.193 4.911 1.00 0.61 C ATOM 1049 C GLU A 69 -15.477 0.183 4.277 1.00 0.57 C ATOM 1050 O GLU A 69 -16.098 1.156 4.655 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.769 -1.376 6.115 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.437 -0.792 7.362 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.513 -0.973 8.567 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.685 -0.105 8.789 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -14.649 -1.976 9.248 1.00 2.10 O ATOM 0 H GLU A 69 -14.292 -2.340 3.781 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.743 -1.257 5.191 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.555 -2.434 6.266 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.815 -0.881 5.934 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.652 0.266 7.211 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -16.390 -1.288 7.543 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.598 0.270 3.318 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.337 1.581 2.662 1.00 0.57 C ATOM 1064 C GLU A 70 -14.579 1.471 1.156 1.00 0.72 C ATOM 1065 O GLU A 70 -13.949 2.143 0.363 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.867 1.880 2.951 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.623 1.850 4.462 1.00 1.05 C ATOM 1068 CD GLU A 70 -12.005 0.506 4.850 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.183 -0.443 4.105 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -11.365 0.449 5.888 1.00 1.89 O ATOM 0 H GLU A 70 -14.049 -0.511 2.960 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.992 2.370 3.032 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.232 1.146 2.455 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.598 2.857 2.549 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.959 2.665 4.751 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.561 1.999 4.996 1.00 1.05 H new ATOM 1077 N SER A 71 -15.489 0.624 0.756 1.00 0.55 N ATOM 1078 CA SER A 71 -15.779 0.461 -0.701 1.00 0.66 C ATOM 1079 C SER A 71 -15.989 1.825 -1.364 1.00 0.70 C ATOM 1080 O SER A 71 -15.617 2.038 -2.499 1.00 0.94 O ATOM 1081 CB SER A 71 -17.060 -0.368 -0.759 1.00 0.79 C ATOM 1082 OG SER A 71 -17.894 -0.026 0.340 1.00 1.48 O ATOM 0 H SER A 71 -16.046 0.036 1.376 1.00 0.55 H new ATOM 0 HA SER A 71 -14.957 -0.020 -1.231 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.583 -0.184 -1.698 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.820 -1.431 -0.731 1.00 0.79 H new ATOM 0 HG SER A 71 -18.717 -0.556 0.303 1.00 1.48 H new ATOM 1088 N ASP A 72 -16.581 2.750 -0.661 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.809 4.099 -1.253 1.00 0.71 C ATOM 1090 C ASP A 72 -15.473 4.724 -1.656 1.00 0.68 C ATOM 1091 O ASP A 72 -15.391 5.500 -2.586 1.00 0.77 O ATOM 1092 CB ASP A 72 -17.472 4.917 -0.144 1.00 0.78 C ATOM 1093 CG ASP A 72 -16.638 4.810 1.134 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -16.142 3.728 1.404 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -16.512 5.809 1.821 1.00 1.57 O ATOM 0 H ASP A 72 -16.916 2.631 0.295 1.00 0.67 H new ATOM 0 HA ASP A 72 -17.428 4.059 -2.149 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -17.559 5.960 -0.449 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -18.483 4.553 0.037 1.00 0.78 H new ATOM 1100 N LEU A 73 -14.422 4.384 -0.962 1.00 0.63 N ATOM 1101 CA LEU A 73 -13.086 4.950 -1.304 1.00 0.68 C ATOM 1102 C LEU A 73 -12.491 4.191 -2.490 1.00 0.60 C ATOM 1103 O LEU A 73 -11.854 4.765 -3.351 1.00 0.64 O ATOM 1104 CB LEU A 73 -12.237 4.745 -0.048 1.00 0.83 C ATOM 1105 CG LEU A 73 -10.902 5.476 -0.206 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.113 6.976 0.004 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -9.912 4.951 0.835 1.00 1.22 C ATOM 0 H LEU A 73 -14.430 3.738 -0.172 1.00 0.63 H new ATOM 0 HA LEU A 73 -13.136 6.001 -1.590 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -12.767 5.121 0.827 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -12.064 3.682 0.116 1.00 0.83 H new ATOM 0 HG LEU A 73 -10.507 5.302 -1.207 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -10.162 7.496 -0.109 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -11.821 7.351 -0.735 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -11.506 7.151 1.005 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -8.960 5.470 0.725 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -10.308 5.127 1.835 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -9.762 3.882 0.687 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.706 2.908 -2.547 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.164 2.115 -3.686 1.00 0.56 C ATOM 1121 C ALA A 74 -12.926 2.469 -4.963 1.00 0.59 C ATOM 1122 O ALA A 74 -12.347 2.628 -6.020 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.396 0.652 -3.303 1.00 0.60 C ATOM 0 H ALA A 74 -13.233 2.374 -1.856 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.109 2.315 -3.873 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.021 0.005 -4.096 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.869 0.431 -2.375 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.463 0.477 -3.165 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.220 2.607 -4.872 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.013 2.965 -6.078 1.00 0.76 C ATOM 1131 C GLN A 75 -14.543 4.318 -6.614 1.00 0.78 C ATOM 1132 O GLN A 75 -14.661 4.609 -7.788 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.462 3.047 -5.597 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.381 2.394 -6.631 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.504 1.645 -5.913 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.282 0.599 -5.337 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.712 2.141 -5.922 1.00 2.40 N ATOM 0 H GLN A 75 -14.761 2.487 -4.015 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.902 2.240 -6.884 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.566 2.546 -4.635 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.748 4.088 -5.447 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.800 3.153 -7.292 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.812 1.706 -7.256 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.899 3.019 -6.406 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.468 1.650 -5.445 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.003 5.146 -5.760 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.516 6.476 -6.220 1.00 0.84 C ATOM 1148 C GLN A 76 -12.424 6.295 -7.275 1.00 0.83 C ATOM 1149 O GLN A 76 -12.324 7.055 -8.217 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.945 7.143 -4.969 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.212 8.647 -5.027 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.544 8.953 -4.338 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -15.567 9.058 -4.984 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -14.574 9.101 -3.041 1.00 1.97 N ATOM 0 H GLN A 76 -13.879 4.958 -4.765 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.306 7.073 -6.675 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.401 6.716 -4.076 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.873 6.955 -4.901 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.404 9.190 -4.538 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.240 8.983 -6.064 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.715 9.013 -2.498 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -15.456 9.305 -2.571 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.608 5.291 -7.122 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.522 5.056 -8.116 1.00 0.81 C ATOM 1165 C TYR A 77 -11.013 4.120 -9.221 1.00 0.83 C ATOM 1166 O TYR A 77 -10.881 4.403 -10.395 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.391 4.402 -7.321 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.536 5.473 -6.688 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.909 6.029 -5.458 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -7.372 5.910 -7.330 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.117 7.021 -4.870 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -6.580 6.903 -6.742 1.00 1.56 C ATOM 1173 CZ TYR A 77 -6.952 7.458 -5.512 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.171 8.437 -4.932 1.00 1.22 O ATOM 0 H TYR A 77 -11.645 4.622 -6.352 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.198 5.977 -8.600 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.803 3.749 -6.552 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.784 3.778 -7.977 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -9.808 5.692 -4.963 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -7.085 5.481 -8.279 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -8.404 7.450 -3.921 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -5.682 7.241 -7.237 1.00 1.56 H new ATOM 0 HH TYR A 77 -5.940 8.172 -4.017 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.575 3.007 -8.850 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.076 2.046 -9.872 1.00 0.87 C ATOM 1186 C GLY A 78 -11.604 0.637 -9.510 1.00 0.88 C ATOM 1187 O GLY A 78 -11.165 -0.118 -10.354 1.00 1.52 O ATOM 0 H GLY A 78 -11.710 2.719 -7.881 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.165 2.078 -9.916 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.709 2.323 -10.860 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.685 0.281 -8.257 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.238 -1.076 -7.835 1.00 0.79 C ATOM 1193 C VAL A 79 -12.313 -2.116 -8.160 1.00 1.13 C ATOM 1194 O VAL A 79 -13.457 -1.984 -7.771 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.030 -0.970 -6.324 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.453 -2.282 -5.795 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.055 0.171 -6.020 1.00 0.72 C ATOM 0 H VAL A 79 -12.042 0.872 -7.507 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.331 -1.391 -8.351 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.987 -0.771 -5.841 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.305 -2.206 -4.718 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.145 -3.096 -6.010 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.497 -2.481 -6.280 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -9.907 0.246 -4.943 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.099 -0.028 -6.504 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.464 1.109 -6.396 1.00 0.72 H new ATOM 1207 N ARG A 80 -11.955 -3.149 -8.875 1.00 1.27 N ATOM 1208 CA ARG A 80 -12.958 -4.196 -9.227 1.00 1.72 C ATOM 1209 C ARG A 80 -12.315 -5.584 -9.175 1.00 1.38 C ATOM 1210 O ARG A 80 -12.589 -6.437 -9.995 1.00 1.87 O ATOM 1211 CB ARG A 80 -13.392 -3.860 -10.654 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.517 -2.823 -10.614 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.794 -3.426 -11.206 1.00 3.49 C ATOM 1214 NE ARG A 80 -16.033 -2.661 -12.460 1.00 4.06 N ATOM 1215 CZ ARG A 80 -17.254 -2.415 -12.851 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -18.208 -3.268 -12.591 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -17.522 -1.314 -13.500 1.00 5.09 N ATOM 0 H ARG A 80 -11.013 -3.313 -9.230 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.801 -4.211 -8.536 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -12.546 -3.473 -11.221 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -13.732 -4.761 -11.164 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -14.695 -2.505 -9.587 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -14.227 -1.936 -11.177 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.671 -4.490 -11.409 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -16.633 -3.328 -10.517 1.00 3.49 H new ATOM 0 HE ARG A 80 -15.243 -2.329 -13.014 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -17.999 -4.127 -12.082 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -19.162 -3.075 -12.897 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -16.777 -0.647 -13.701 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -18.476 -1.121 -13.806 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.462 -5.818 -8.217 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.803 -7.149 -8.115 1.00 0.81 C ATOM 1233 C GLY A 81 -9.668 -7.079 -7.093 1.00 0.74 C ATOM 1234 O GLY A 81 -8.574 -6.645 -7.397 1.00 1.17 O ATOM 0 H GLY A 81 -11.193 -5.144 -7.500 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.530 -7.904 -7.816 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.413 -7.449 -9.088 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.918 -7.500 -5.884 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.846 -7.454 -4.845 1.00 0.52 C ATOM 1240 C TYR A 82 -7.855 -8.612 -5.063 1.00 0.54 C ATOM 1241 O TYR A 82 -8.219 -9.616 -5.641 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.569 -7.622 -3.496 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.778 -6.705 -3.402 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.815 -5.488 -4.102 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.864 -7.079 -2.602 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.937 -4.655 -4.002 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.984 -6.244 -2.501 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.021 -5.034 -3.201 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.126 -4.213 -3.103 1.00 0.85 O ATOM 0 H TYR A 82 -10.814 -7.873 -5.569 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.279 -6.524 -4.886 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.885 -8.658 -3.376 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.879 -7.403 -2.681 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.978 -5.194 -4.718 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.838 -8.014 -2.061 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.966 -3.721 -4.543 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.820 -6.535 -1.882 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.788 -4.624 -2.508 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.628 -8.449 -4.602 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.190 -7.217 -3.896 1.00 0.51 C ATOM 1261 C PRO A 83 -5.702 -6.170 -4.902 1.00 0.51 C ATOM 1262 O PRO A 83 -4.794 -6.413 -5.671 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.036 -7.703 -3.029 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.497 -8.926 -3.717 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.536 -9.420 -4.699 1.00 0.64 C ATOM 0 HA PRO A 83 -6.987 -6.743 -3.322 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.267 -6.936 -2.935 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.376 -7.939 -2.021 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.567 -8.691 -4.235 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.267 -9.702 -2.986 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.135 -9.465 -5.711 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.875 -10.424 -4.445 1.00 0.64 H new ATOM 1273 N THR A 84 -6.291 -5.006 -4.901 1.00 0.45 N ATOM 1274 CA THR A 84 -5.849 -3.948 -5.855 1.00 0.45 C ATOM 1275 C THR A 84 -4.788 -3.060 -5.199 1.00 0.43 C ATOM 1276 O THR A 84 -5.093 -2.032 -4.629 1.00 0.52 O ATOM 1277 CB THR A 84 -7.108 -3.140 -6.164 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.070 -3.981 -6.784 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.756 -1.984 -7.103 1.00 0.56 C ATOM 0 H THR A 84 -7.058 -4.741 -4.283 1.00 0.45 H new ATOM 0 HA THR A 84 -5.403 -4.365 -6.758 1.00 0.45 H new ATOM 0 HB THR A 84 -7.520 -2.740 -5.237 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.704 -4.886 -6.874 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.655 -1.408 -7.323 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.019 -1.339 -6.625 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.343 -2.381 -8.030 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.544 -3.451 -5.270 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.468 -2.629 -4.645 1.00 0.41 C ATOM 1289 C ILE A 85 -2.148 -1.410 -5.515 1.00 0.41 C ATOM 1290 O ILE A 85 -2.330 -1.427 -6.717 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.259 -3.566 -4.550 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -0.150 -2.881 -3.748 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.742 -3.897 -5.952 1.00 0.80 C ATOM 1294 CD1 ILE A 85 0.691 -3.939 -3.032 1.00 1.27 C ATOM 0 H ILE A 85 -3.227 -4.303 -5.733 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.760 -2.242 -3.669 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.558 -4.489 -4.053 1.00 0.50 H new ATOM 0 HG12 ILE A 85 0.480 -2.288 -4.411 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -0.584 -2.193 -3.022 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.117 -4.563 -5.875 1.00 0.80 H new ATOM 0 HG22 ILE A 85 -1.530 -4.386 -6.524 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.444 -2.978 -6.456 1.00 0.80 H new ATOM 0 HD11 ILE A 85 1.481 -3.451 -2.461 1.00 1.27 H new ATOM 0 HD12 ILE A 85 0.056 -4.512 -2.357 1.00 1.27 H new ATOM 0 HD13 ILE A 85 1.136 -4.609 -3.768 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.666 -0.355 -4.918 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.329 0.862 -5.715 1.00 0.40 C ATOM 1308 C LYS A 86 -0.285 1.708 -4.981 1.00 0.38 C ATOM 1309 O LYS A 86 -0.291 1.810 -3.771 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.643 1.631 -5.847 1.00 0.48 C ATOM 1311 CG LYS A 86 -2.866 2.004 -7.315 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.032 1.190 -7.878 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.551 1.858 -9.153 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.034 1.762 -9.056 1.00 1.73 N ATOM 0 H LYS A 86 -1.491 -0.281 -3.916 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.906 0.609 -6.687 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.472 1.023 -5.485 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.615 2.530 -5.232 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.077 3.070 -7.402 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -1.962 1.810 -7.892 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -3.708 0.172 -8.094 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.831 1.120 -7.140 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -4.225 2.896 -9.216 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -4.179 1.352 -10.044 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.466 2.199 -9.895 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.314 0.762 -9.003 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.359 2.258 -8.202 1.00 1.73 H new ATOM 1328 N PHE A 87 0.613 2.317 -5.708 1.00 0.37 N ATOM 1329 CA PHE A 87 1.660 3.157 -5.058 1.00 0.36 C ATOM 1330 C PHE A 87 1.396 4.642 -5.333 1.00 0.33 C ATOM 1331 O PHE A 87 1.237 5.056 -6.464 1.00 0.37 O ATOM 1332 CB PHE A 87 2.977 2.714 -5.704 1.00 0.42 C ATOM 1333 CG PHE A 87 4.109 3.600 -5.232 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.200 3.955 -3.882 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.066 4.064 -6.143 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.245 4.774 -3.441 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.114 4.883 -5.702 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.206 5.243 -4.366 1.00 0.72 C ATOM 0 H PHE A 87 0.667 2.269 -6.725 1.00 0.37 H new ATOM 0 HA PHE A 87 1.675 3.036 -3.975 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.186 1.675 -5.448 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.894 2.764 -6.790 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.463 3.596 -3.179 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.996 3.791 -7.185 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.317 5.047 -2.399 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.853 5.235 -6.406 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.011 5.881 -4.032 1.00 0.72 H new ATOM 1348 N PHE A 88 1.353 5.444 -4.304 1.00 0.33 N ATOM 1349 CA PHE A 88 1.105 6.898 -4.500 1.00 0.35 C ATOM 1350 C PHE A 88 2.377 7.693 -4.186 1.00 0.42 C ATOM 1351 O PHE A 88 3.214 7.260 -3.419 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.005 7.237 -3.509 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.322 6.733 -4.048 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.973 7.433 -5.073 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.894 5.571 -3.521 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.196 6.968 -5.569 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.118 5.106 -4.016 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.758 5.796 -5.058 1.00 0.62 C ATOM 0 H PHE A 88 1.479 5.153 -3.335 1.00 0.33 H new ATOM 0 HA PHE A 88 0.825 7.144 -5.524 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.204 6.782 -2.541 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.051 8.314 -3.351 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.531 8.331 -5.480 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.391 5.032 -2.732 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.706 7.516 -6.348 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.569 4.218 -3.597 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.685 5.420 -5.465 1.00 0.62 H new ATOM 1368 N ARG A 89 2.532 8.847 -4.775 1.00 0.47 N ATOM 1369 CA ARG A 89 3.758 9.655 -4.507 1.00 0.55 C ATOM 1370 C ARG A 89 3.389 11.092 -4.125 1.00 0.64 C ATOM 1371 O ARG A 89 2.943 11.869 -4.946 1.00 1.05 O ATOM 1372 CB ARG A 89 4.540 9.635 -5.820 1.00 0.73 C ATOM 1373 CG ARG A 89 5.979 10.085 -5.561 1.00 1.15 C ATOM 1374 CD ARG A 89 6.574 10.658 -6.849 1.00 1.42 C ATOM 1375 NE ARG A 89 5.896 11.971 -7.034 1.00 1.73 N ATOM 1376 CZ ARG A 89 6.425 12.872 -7.814 1.00 2.07 C ATOM 1377 NH1 ARG A 89 6.414 12.704 -9.107 1.00 2.56 N ATOM 1378 NH2 ARG A 89 6.966 13.943 -7.299 1.00 2.43 N ATOM 0 H ARG A 89 1.868 9.265 -5.427 1.00 0.47 H new ATOM 0 HA ARG A 89 4.337 9.251 -3.677 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.532 8.632 -6.246 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.067 10.294 -6.548 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.000 10.837 -4.772 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.578 9.243 -5.214 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.654 10.779 -6.765 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.392 9.997 -7.696 1.00 1.42 H new ATOM 0 HE ARG A 89 5.019 12.165 -6.551 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.991 11.867 -9.509 1.00 2.56 H new ATOM 0 HH12 ARG A 89 6.828 13.409 -9.716 1.00 2.56 H new ATOM 0 HH21 ARG A 89 6.974 14.074 -6.287 1.00 2.43 H new ATOM 0 HH22 ARG A 89 7.380 14.649 -7.908 1.00 2.43 H new ATOM 1392 N ASN A 90 3.584 11.451 -2.885 1.00 0.57 N ATOM 1393 CA ASN A 90 3.261 12.838 -2.440 1.00 0.68 C ATOM 1394 C ASN A 90 1.867 13.258 -2.922 1.00 0.69 C ATOM 1395 O ASN A 90 1.691 14.314 -3.498 1.00 0.98 O ATOM 1396 CB ASN A 90 4.339 13.710 -3.082 1.00 0.87 C ATOM 1397 CG ASN A 90 4.314 15.105 -2.458 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.258 15.647 -2.193 1.00 1.65 O ATOM 1399 ND2 ASN A 90 5.440 15.715 -2.208 1.00 1.74 N ATOM 0 H ASN A 90 3.955 10.840 -2.157 1.00 0.57 H new ATOM 0 HA ASN A 90 3.247 12.927 -1.354 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.320 13.256 -2.941 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.172 13.779 -4.157 1.00 0.87 H new ATOM 0 HD21 ASN A 90 5.434 16.646 -1.791 1.00 1.74 H new ATOM 0 HD22 ASN A 90 6.326 15.261 -2.430 1.00 1.74 H new ATOM 1406 N GLY A 91 0.874 12.444 -2.686 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.503 12.802 -3.126 1.00 0.75 C ATOM 1408 C GLY A 91 -0.581 12.782 -4.653 1.00 0.79 C ATOM 1409 O GLY A 91 -0.183 13.718 -5.318 1.00 1.19 O ATOM 0 H GLY A 91 0.958 11.547 -2.208 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.223 12.099 -2.707 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.768 13.791 -2.752 1.00 0.75 H new ATOM 1413 N ASP A 92 -1.094 11.722 -5.215 1.00 0.90 N ATOM 1414 CA ASP A 92 -1.201 11.641 -6.699 1.00 1.27 C ATOM 1415 C ASP A 92 -2.671 11.709 -7.122 1.00 1.14 C ATOM 1416 O ASP A 92 -3.081 12.614 -7.821 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.598 10.285 -7.066 1.00 1.93 C ATOM 1418 CG ASP A 92 0.493 10.480 -8.121 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.314 11.328 -8.980 1.00 2.41 O ATOM 1420 OD2 ASP A 92 1.489 9.779 -8.050 1.00 2.68 O ATOM 0 H ASP A 92 -1.444 10.908 -4.710 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.687 12.462 -7.199 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -0.180 9.809 -6.179 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.374 9.622 -7.448 1.00 1.93 H new ATOM 1425 N THR A 93 -3.463 10.754 -6.701 1.00 0.96 N ATOM 1426 CA THR A 93 -4.918 10.742 -7.066 1.00 1.33 C ATOM 1427 C THR A 93 -5.114 11.067 -8.552 1.00 1.26 C ATOM 1428 O THR A 93 -6.009 11.800 -8.924 1.00 1.90 O ATOM 1429 CB THR A 93 -5.566 11.816 -6.186 1.00 1.74 C ATOM 1430 OG1 THR A 93 -5.084 13.098 -6.564 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.226 11.553 -4.719 1.00 1.92 C ATOM 0 H THR A 93 -3.163 9.975 -6.115 1.00 0.96 H new ATOM 0 HA THR A 93 -5.365 9.761 -6.905 1.00 1.33 H new ATOM 0 HB THR A 93 -6.648 11.784 -6.317 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.590 13.026 -7.408 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.688 12.318 -4.096 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.602 10.572 -4.428 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.145 11.581 -4.586 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.284 10.526 -9.400 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.420 10.803 -10.859 1.00 1.18 C ATOM 1441 C ALA A 94 -3.611 9.783 -11.662 1.00 1.14 C ATOM 1442 O ALA A 94 -4.153 8.977 -12.392 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.853 12.210 -11.053 1.00 1.24 C ATOM 0 H ALA A 94 -3.517 9.904 -9.146 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.453 10.733 -11.199 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.918 12.487 -12.105 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.426 12.919 -10.455 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.810 12.229 -10.737 1.00 1.24 H new ATOM 1449 N SER A 95 -2.317 9.816 -11.527 1.00 1.20 N ATOM 1450 CA SER A 95 -1.460 8.851 -12.274 1.00 1.22 C ATOM 1451 C SER A 95 -0.577 8.066 -11.295 1.00 0.98 C ATOM 1452 O SER A 95 0.621 8.260 -11.255 1.00 0.98 O ATOM 1453 CB SER A 95 -0.601 9.718 -13.196 1.00 1.48 C ATOM 1454 OG SER A 95 0.433 8.925 -13.762 1.00 2.01 O ATOM 0 H SER A 95 -1.812 10.471 -10.930 1.00 1.20 H new ATOM 0 HA SER A 95 -2.045 8.120 -12.832 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.217 10.149 -13.985 1.00 1.48 H new ATOM 0 HB3 SER A 95 -0.172 10.549 -12.636 1.00 1.48 H new ATOM 0 HG SER A 95 1.036 8.619 -13.053 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.201 7.199 -10.532 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.449 6.383 -9.547 1.00 0.72 C ATOM 1462 C PRO A 96 0.397 5.326 -10.263 1.00 0.65 C ATOM 1463 O PRO A 96 0.249 5.096 -11.447 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.543 5.728 -8.711 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.744 5.703 -9.602 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.641 6.898 -10.511 1.00 1.02 C ATOM 0 HA PRO A 96 0.244 6.971 -8.945 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.257 4.722 -8.405 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.738 6.295 -7.801 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.776 4.780 -10.181 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.661 5.743 -9.014 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.018 6.675 -11.509 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.220 7.740 -10.132 1.00 1.02 H new ATOM 1474 N LYS A 97 1.281 4.680 -9.554 1.00 0.55 N ATOM 1475 CA LYS A 97 2.135 3.641 -10.193 1.00 0.57 C ATOM 1476 C LYS A 97 1.730 2.249 -9.698 1.00 0.53 C ATOM 1477 O LYS A 97 1.904 1.917 -8.543 1.00 0.89 O ATOM 1478 CB LYS A 97 3.558 3.976 -9.751 1.00 0.68 C ATOM 1479 CG LYS A 97 4.127 5.076 -10.649 1.00 0.85 C ATOM 1480 CD LYS A 97 5.006 6.011 -9.817 1.00 1.63 C ATOM 1481 CE LYS A 97 6.479 5.700 -10.085 1.00 2.05 C ATOM 1482 NZ LYS A 97 6.911 6.718 -11.083 1.00 2.61 N ATOM 0 H LYS A 97 1.449 4.827 -8.559 1.00 0.55 H new ATOM 0 HA LYS A 97 2.037 3.632 -11.279 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.559 4.304 -8.711 1.00 0.68 H new ATOM 0 HB3 LYS A 97 4.186 3.087 -9.806 1.00 0.68 H new ATOM 0 HG2 LYS A 97 4.710 4.635 -11.457 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.316 5.638 -11.112 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.791 7.049 -10.069 1.00 1.63 H new ATOM 0 HD3 LYS A 97 4.784 5.888 -8.757 1.00 1.63 H new ATOM 0 HE2 LYS A 97 7.069 5.767 -9.171 1.00 2.05 H new ATOM 0 HE3 LYS A 97 6.605 4.689 -10.472 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 7.913 6.570 -11.318 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 6.336 6.625 -11.945 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 6.786 7.670 -10.684 1.00 2.61 H new ATOM 1496 N GLU A 98 1.191 1.433 -10.562 1.00 0.51 N ATOM 1497 CA GLU A 98 0.777 0.065 -10.136 1.00 0.48 C ATOM 1498 C GLU A 98 1.981 -0.706 -9.588 1.00 0.45 C ATOM 1499 O GLU A 98 3.119 -0.351 -9.826 1.00 0.61 O ATOM 1500 CB GLU A 98 0.240 -0.603 -11.404 1.00 0.61 C ATOM 1501 CG GLU A 98 1.303 -0.549 -12.503 1.00 1.33 C ATOM 1502 CD GLU A 98 1.340 -1.886 -13.245 1.00 2.10 C ATOM 1503 OE1 GLU A 98 1.730 -2.869 -12.636 1.00 2.79 O ATOM 1504 OE2 GLU A 98 0.977 -1.905 -14.410 1.00 2.61 O ATOM 0 H GLU A 98 1.019 1.653 -11.543 1.00 0.51 H new ATOM 0 HA GLU A 98 0.029 0.089 -9.343 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.029 -1.638 -11.195 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.667 -0.098 -11.737 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.080 0.259 -13.200 1.00 1.33 H new ATOM 0 HG3 GLU A 98 2.280 -0.335 -12.069 1.00 1.33 H new ATOM 1511 N TYR A 99 1.739 -1.757 -8.854 1.00 0.45 N ATOM 1512 CA TYR A 99 2.868 -2.551 -8.286 1.00 0.46 C ATOM 1513 C TYR A 99 3.041 -3.858 -9.070 1.00 0.53 C ATOM 1514 O TYR A 99 2.098 -4.589 -9.297 1.00 0.67 O ATOM 1515 CB TYR A 99 2.457 -2.831 -6.833 1.00 0.52 C ATOM 1516 CG TYR A 99 3.381 -3.860 -6.215 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.657 -3.487 -5.777 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.958 -5.190 -6.091 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.510 -4.445 -5.214 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.811 -6.145 -5.526 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.087 -5.773 -5.089 1.00 1.70 C ATOM 1522 OH TYR A 99 5.930 -6.718 -4.537 1.00 2.27 O ATOM 0 H TYR A 99 0.807 -2.102 -8.622 1.00 0.45 H new ATOM 0 HA TYR A 99 3.821 -2.025 -8.343 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.490 -1.908 -6.254 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.428 -3.190 -6.801 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.983 -2.462 -5.873 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.974 -5.478 -6.431 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.495 -4.158 -4.876 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.484 -7.170 -5.427 1.00 1.49 H new ATOM 0 HH TYR A 99 5.416 -7.519 -4.305 1.00 2.27 H new ATOM 1532 N THR A 100 4.245 -4.162 -9.470 1.00 0.60 N ATOM 1533 CA THR A 100 4.485 -5.426 -10.223 1.00 0.72 C ATOM 1534 C THR A 100 4.836 -6.546 -9.241 1.00 0.83 C ATOM 1535 O THR A 100 4.695 -6.395 -8.043 1.00 1.71 O ATOM 1536 CB THR A 100 5.667 -5.124 -11.144 1.00 0.93 C ATOM 1537 OG1 THR A 100 6.754 -4.633 -10.373 1.00 1.36 O ATOM 1538 CG2 THR A 100 5.256 -4.073 -12.177 1.00 1.13 C ATOM 0 H THR A 100 5.074 -3.590 -9.308 1.00 0.60 H new ATOM 0 HA THR A 100 3.611 -5.751 -10.788 1.00 0.72 H new ATOM 0 HB THR A 100 5.969 -6.037 -11.658 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.653 -3.667 -10.243 1.00 1.36 H new ATOM 0 HG21 THR A 100 6.100 -3.858 -12.833 1.00 1.13 H new ATOM 0 HG22 THR A 100 4.423 -4.451 -12.769 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.953 -3.159 -11.666 1.00 1.13 H new ATOM 1546 N ALA A 101 5.292 -7.669 -9.727 1.00 0.83 N ATOM 1547 CA ALA A 101 5.647 -8.787 -8.803 1.00 1.01 C ATOM 1548 C ALA A 101 4.466 -9.092 -7.872 1.00 1.36 C ATOM 1549 O ALA A 101 3.321 -8.984 -8.262 1.00 1.98 O ATOM 1550 CB ALA A 101 6.848 -8.272 -8.008 1.00 0.87 C ATOM 0 H ALA A 101 5.434 -7.861 -10.719 1.00 0.83 H new ATOM 0 HA ALA A 101 5.879 -9.711 -9.332 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.173 -9.037 -7.303 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.664 -8.039 -8.692 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.564 -7.372 -7.462 1.00 0.87 H new ATOM 1556 N GLY A 102 4.728 -9.467 -6.648 1.00 1.17 N ATOM 1557 CA GLY A 102 3.606 -9.769 -5.716 1.00 1.71 C ATOM 1558 C GLY A 102 3.699 -11.224 -5.256 1.00 1.08 C ATOM 1559 O GLY A 102 2.881 -12.050 -5.606 1.00 1.27 O ATOM 0 H GLY A 102 5.664 -9.576 -6.257 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.645 -9.102 -4.855 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.651 -9.594 -6.212 1.00 1.71 H new ATOM 1563 N ARG A 103 4.691 -11.543 -4.473 1.00 0.90 N ATOM 1564 CA ARG A 103 4.837 -12.944 -3.989 1.00 1.11 C ATOM 1565 C ARG A 103 5.228 -12.950 -2.510 1.00 0.94 C ATOM 1566 O ARG A 103 4.729 -13.735 -1.729 1.00 1.04 O ATOM 1567 CB ARG A 103 5.953 -13.545 -4.844 1.00 1.71 C ATOM 1568 CG ARG A 103 6.092 -15.037 -4.530 1.00 2.44 C ATOM 1569 CD ARG A 103 4.768 -15.748 -4.823 1.00 3.16 C ATOM 1570 NE ARG A 103 5.154 -17.138 -5.197 1.00 3.73 N ATOM 1571 CZ ARG A 103 4.900 -18.127 -4.384 1.00 4.34 C ATOM 1572 NH1 ARG A 103 5.255 -18.050 -3.131 1.00 4.84 N ATOM 1573 NH2 ARG A 103 4.291 -19.193 -4.826 1.00 4.81 N ATOM 0 H ARG A 103 5.407 -10.894 -4.147 1.00 0.90 H new ATOM 0 HA ARG A 103 3.910 -13.512 -4.075 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.730 -13.405 -5.902 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.894 -13.032 -4.645 1.00 1.71 H new ATOM 0 HG2 ARG A 103 6.891 -15.472 -5.130 1.00 2.44 H new ATOM 0 HG3 ARG A 103 6.367 -15.175 -3.484 1.00 2.44 H new ATOM 0 HD2 ARG A 103 4.114 -15.741 -3.951 1.00 3.16 H new ATOM 0 HD3 ARG A 103 4.226 -15.257 -5.632 1.00 3.16 H new ATOM 0 HE ARG A 103 5.617 -17.316 -6.088 1.00 3.73 H new ATOM 0 HH11 ARG A 103 5.731 -17.217 -2.786 1.00 4.84 H new ATOM 0 HH12 ARG A 103 5.056 -18.823 -2.496 1.00 4.84 H new ATOM 0 HH21 ARG A 103 4.014 -19.253 -5.806 1.00 4.81 H new ATOM 0 HH22 ARG A 103 4.092 -19.967 -4.192 1.00 4.81 H new ATOM 1587 N GLU A 104 6.116 -12.079 -2.123 1.00 0.75 N ATOM 1588 CA GLU A 104 6.543 -12.032 -0.697 1.00 0.66 C ATOM 1589 C GLU A 104 6.871 -10.601 -0.279 1.00 0.56 C ATOM 1590 O GLU A 104 6.866 -9.685 -1.076 1.00 0.57 O ATOM 1591 CB GLU A 104 7.808 -12.874 -0.633 1.00 0.79 C ATOM 1592 CG GLU A 104 7.441 -14.358 -0.565 1.00 1.59 C ATOM 1593 CD GLU A 104 8.691 -15.204 -0.814 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.608 -15.120 -0.013 1.00 2.51 O ATOM 1595 OE2 GLU A 104 8.710 -15.922 -1.800 1.00 2.04 O ATOM 0 H GLU A 104 6.566 -11.396 -2.733 1.00 0.75 H new ATOM 0 HA GLU A 104 5.758 -12.396 -0.034 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.427 -12.683 -1.509 1.00 0.79 H new ATOM 0 HB3 GLU A 104 8.397 -12.595 0.241 1.00 0.79 H new ATOM 0 HG2 GLU A 104 7.017 -14.594 0.411 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.678 -14.589 -1.308 1.00 1.59 H new ATOM 1602 N ALA A 105 7.173 -10.415 0.973 1.00 0.50 N ATOM 1603 CA ALA A 105 7.523 -9.054 1.464 1.00 0.44 C ATOM 1604 C ALA A 105 8.740 -8.542 0.695 1.00 0.45 C ATOM 1605 O ALA A 105 8.832 -7.379 0.356 1.00 0.47 O ATOM 1606 CB ALA A 105 7.859 -9.236 2.943 1.00 0.47 C ATOM 0 H ALA A 105 7.193 -11.149 1.681 1.00 0.50 H new ATOM 0 HA ALA A 105 6.717 -8.334 1.325 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.128 -8.273 3.376 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.992 -9.640 3.466 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.697 -9.926 3.044 1.00 0.47 H new ATOM 1612 N ASP A 106 9.669 -9.410 0.407 1.00 0.51 N ATOM 1613 CA ASP A 106 10.874 -8.982 -0.353 1.00 0.56 C ATOM 1614 C ASP A 106 10.444 -8.378 -1.688 1.00 0.54 C ATOM 1615 O ASP A 106 11.007 -7.407 -2.154 1.00 0.64 O ATOM 1616 CB ASP A 106 11.683 -10.260 -0.572 1.00 0.67 C ATOM 1617 CG ASP A 106 11.576 -10.685 -2.038 1.00 1.18 C ATOM 1618 OD1 ASP A 106 10.504 -11.111 -2.433 1.00 2.02 O ATOM 1619 OD2 ASP A 106 12.569 -10.578 -2.739 1.00 1.82 O ATOM 0 H ASP A 106 9.645 -10.396 0.665 1.00 0.51 H new ATOM 0 HA ASP A 106 11.457 -8.226 0.173 1.00 0.56 H new ATOM 0 HB2 ASP A 106 12.727 -10.093 -0.306 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.312 -11.054 0.076 1.00 0.67 H new ATOM 1624 N ASP A 107 9.438 -8.939 -2.301 1.00 0.50 N ATOM 1625 CA ASP A 107 8.964 -8.384 -3.602 1.00 0.52 C ATOM 1626 C ASP A 107 8.420 -6.970 -3.387 1.00 0.51 C ATOM 1627 O ASP A 107 8.485 -6.127 -4.260 1.00 0.63 O ATOM 1628 CB ASP A 107 7.850 -9.324 -4.066 1.00 0.55 C ATOM 1629 CG ASP A 107 8.459 -10.496 -4.836 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.209 -11.248 -4.236 1.00 1.39 O ATOM 1631 OD2 ASP A 107 8.165 -10.623 -6.013 1.00 1.41 O ATOM 0 H ASP A 107 8.926 -9.753 -1.961 1.00 0.50 H new ATOM 0 HA ASP A 107 9.762 -8.319 -4.341 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.289 -9.692 -3.207 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.146 -8.785 -4.700 1.00 0.55 H new ATOM 1636 N ILE A 108 7.890 -6.707 -2.226 1.00 0.46 N ATOM 1637 CA ILE A 108 7.344 -5.350 -1.939 1.00 0.52 C ATOM 1638 C ILE A 108 8.488 -4.335 -1.843 1.00 0.50 C ATOM 1639 O ILE A 108 8.462 -3.292 -2.467 1.00 0.52 O ATOM 1640 CB ILE A 108 6.640 -5.485 -0.587 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.547 -6.558 -0.680 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.013 -4.144 -0.200 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.473 -6.120 -1.678 1.00 0.68 C ATOM 0 H ILE A 108 7.811 -7.376 -1.460 1.00 0.46 H new ATOM 0 HA ILE A 108 6.668 -5.002 -2.720 1.00 0.52 H new ATOM 0 HB ILE A 108 7.367 -5.776 0.172 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.982 -7.507 -0.993 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.100 -6.721 0.301 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.512 -4.241 0.763 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.792 -3.385 -0.129 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.288 -3.849 -0.958 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.700 -6.886 -1.740 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.029 -5.182 -1.346 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.924 -5.980 -2.660 1.00 0.68 H new ATOM 1655 N VAL A 109 9.492 -4.633 -1.063 1.00 0.51 N ATOM 1656 CA VAL A 109 10.637 -3.688 -0.923 1.00 0.56 C ATOM 1657 C VAL A 109 11.407 -3.587 -2.244 1.00 0.51 C ATOM 1658 O VAL A 109 11.811 -2.518 -2.658 1.00 0.55 O ATOM 1659 CB VAL A 109 11.518 -4.296 0.169 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.793 -3.463 0.323 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.754 -4.308 1.495 1.00 0.86 C ATOM 0 H VAL A 109 9.569 -5.491 -0.516 1.00 0.51 H new ATOM 0 HA VAL A 109 10.312 -2.679 -0.670 1.00 0.56 H new ATOM 0 HB VAL A 109 11.783 -5.317 -0.107 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.420 -3.898 1.102 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.339 -3.456 -0.620 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.529 -2.442 0.598 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.382 -4.741 2.273 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.487 -3.288 1.770 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.847 -4.903 1.387 1.00 0.86 H new ATOM 1671 N ASN A 110 11.615 -4.692 -2.906 1.00 0.50 N ATOM 1672 CA ASN A 110 12.362 -4.659 -4.197 1.00 0.52 C ATOM 1673 C ASN A 110 11.740 -3.632 -5.144 1.00 0.50 C ATOM 1674 O ASN A 110 12.415 -2.773 -5.678 1.00 0.59 O ATOM 1675 CB ASN A 110 12.224 -6.069 -4.770 1.00 0.59 C ATOM 1676 CG ASN A 110 13.448 -6.898 -4.377 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.549 -6.621 -4.809 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.302 -7.913 -3.569 1.00 1.29 N ATOM 0 H ASN A 110 11.301 -5.616 -2.610 1.00 0.50 H new ATOM 0 HA ASN A 110 13.405 -4.373 -4.062 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.316 -6.540 -4.393 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.134 -6.025 -5.855 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.112 -8.472 -3.301 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.378 -8.147 -3.205 1.00 1.29 H new ATOM 1685 N TRP A 111 10.457 -3.710 -5.351 1.00 0.46 N ATOM 1686 CA TRP A 111 9.789 -2.736 -6.259 1.00 0.51 C ATOM 1687 C TRP A 111 9.975 -1.315 -5.727 1.00 0.55 C ATOM 1688 O TRP A 111 10.208 -0.386 -6.474 1.00 0.66 O ATOM 1689 CB TRP A 111 8.311 -3.124 -6.239 1.00 0.55 C ATOM 1690 CG TRP A 111 7.582 -2.359 -7.294 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.574 -2.666 -8.611 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.754 -1.170 -7.146 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.796 -1.741 -9.281 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.268 -0.798 -8.421 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.382 -0.386 -6.039 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.442 0.313 -8.593 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.550 0.732 -6.208 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.081 1.081 -7.482 1.00 1.14 C ATOM 0 H TRP A 111 9.841 -4.406 -4.931 1.00 0.46 H new ATOM 0 HA TRP A 111 10.202 -2.759 -7.268 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.203 -4.195 -6.411 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.882 -2.913 -5.260 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.091 -3.498 -9.065 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.632 -1.753 -10.288 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.739 -0.646 -5.053 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.084 0.578 -9.577 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.270 1.327 -5.351 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.441 1.942 -7.605 1.00 1.14 H new ATOM 1709 N LEU A 112 9.875 -1.146 -4.440 1.00 0.55 N ATOM 1710 CA LEU A 112 10.048 0.213 -3.850 1.00 0.65 C ATOM 1711 C LEU A 112 11.498 0.674 -4.013 1.00 0.65 C ATOM 1712 O LEU A 112 11.767 1.831 -4.268 1.00 0.75 O ATOM 1713 CB LEU A 112 9.700 0.048 -2.370 1.00 0.74 C ATOM 1714 CG LEU A 112 8.183 -0.065 -2.212 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.848 -0.406 -0.758 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.529 1.267 -2.586 1.00 1.10 C ATOM 0 H LEU A 112 9.681 -1.889 -3.769 1.00 0.55 H new ATOM 0 HA LEU A 112 9.419 0.960 -4.335 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.185 -0.842 -1.968 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.073 0.899 -1.801 1.00 0.74 H new ATOM 0 HG LEU A 112 7.807 -0.850 -2.868 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.767 -0.487 -0.643 1.00 1.49 H new ATOM 0 HD12 LEU A 112 8.314 -1.355 -0.490 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.224 0.380 -0.104 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.448 1.186 -2.473 1.00 1.10 H new ATOM 0 HD22 LEU A 112 7.904 2.053 -1.931 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.768 1.512 -3.621 1.00 1.10 H new ATOM 1728 N LYS A 113 12.434 -0.224 -3.870 1.00 0.62 N ATOM 1729 CA LYS A 113 13.865 0.161 -4.019 1.00 0.70 C ATOM 1730 C LYS A 113 14.349 -0.149 -5.439 1.00 0.75 C ATOM 1731 O LYS A 113 15.531 -0.275 -5.689 1.00 1.01 O ATOM 1732 CB LYS A 113 14.615 -0.696 -2.999 1.00 0.79 C ATOM 1733 CG LYS A 113 15.086 0.186 -1.840 1.00 1.42 C ATOM 1734 CD LYS A 113 15.182 -0.654 -0.566 1.00 1.84 C ATOM 1735 CE LYS A 113 15.694 0.218 0.582 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.167 0.295 0.379 1.00 2.86 N ATOM 0 H LYS A 113 12.269 -1.208 -3.656 1.00 0.62 H new ATOM 0 HA LYS A 113 14.026 1.226 -3.852 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.966 -1.489 -2.627 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.469 -1.180 -3.472 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.056 0.624 -2.073 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.391 1.012 -1.692 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.205 -1.067 -0.315 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.854 -1.498 -0.724 1.00 1.84 H new ATOM 0 HE2 LYS A 113 15.240 1.209 0.558 1.00 2.39 H new ATOM 0 HE3 LYS A 113 15.451 -0.221 1.550 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.653 -0.097 1.211 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.430 -0.252 -0.466 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.448 1.288 0.250 1.00 2.86 H new ATOM 1750 N LYS A 114 13.442 -0.274 -6.371 1.00 0.71 N ATOM 1751 CA LYS A 114 13.852 -0.577 -7.772 1.00 0.89 C ATOM 1752 C LYS A 114 14.418 0.679 -8.440 1.00 1.07 C ATOM 1753 O LYS A 114 15.348 0.613 -9.219 1.00 1.31 O ATOM 1754 CB LYS A 114 12.568 -1.026 -8.472 1.00 0.92 C ATOM 1755 CG LYS A 114 12.924 -1.732 -9.782 1.00 1.45 C ATOM 1756 CD LYS A 114 11.884 -2.816 -10.078 1.00 1.77 C ATOM 1757 CE LYS A 114 12.569 -4.184 -10.113 1.00 2.49 C ATOM 1758 NZ LYS A 114 12.742 -4.565 -8.683 1.00 3.00 N ATOM 0 H LYS A 114 12.437 -0.180 -6.223 1.00 0.71 H new ATOM 0 HA LYS A 114 14.630 -1.339 -7.820 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.004 -1.698 -7.825 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.929 -0.165 -8.672 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.956 -1.011 -10.599 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.917 -2.176 -9.710 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.106 -2.806 -9.315 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.397 -2.617 -11.033 1.00 1.77 H new ATOM 0 HE2 LYS A 114 11.962 -4.916 -10.646 1.00 2.49 H new ATOM 0 HE3 LYS A 114 13.529 -4.132 -10.627 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 13.755 -4.677 -8.474 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 12.343 -3.822 -8.075 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 12.249 -5.463 -8.501 1.00 3.00 H new ATOM 1772 N ARG A 115 13.865 1.822 -8.139 1.00 1.09 N ATOM 1773 CA ARG A 115 14.375 3.081 -8.758 1.00 1.40 C ATOM 1774 C ARG A 115 14.186 4.256 -7.795 1.00 1.25 C ATOM 1775 O ARG A 115 13.942 5.373 -8.203 1.00 1.55 O ATOM 1776 CB ARG A 115 13.527 3.274 -10.016 1.00 1.86 C ATOM 1777 CG ARG A 115 14.262 2.684 -11.221 1.00 2.43 C ATOM 1778 CD ARG A 115 14.598 3.799 -12.212 1.00 2.92 C ATOM 1779 NE ARG A 115 16.016 3.558 -12.595 1.00 3.45 N ATOM 1780 CZ ARG A 115 16.480 4.043 -13.714 1.00 3.99 C ATOM 1781 NH1 ARG A 115 16.693 5.324 -13.832 1.00 4.34 N ATOM 1782 NH2 ARG A 115 16.732 3.246 -14.716 1.00 4.52 N ATOM 0 H ARG A 115 13.084 1.940 -7.493 1.00 1.09 H new ATOM 0 HA ARG A 115 15.439 3.029 -8.989 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.559 2.788 -9.893 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.333 4.334 -10.178 1.00 1.86 H new ATOM 0 HG2 ARG A 115 15.175 2.186 -10.895 1.00 2.43 H new ATOM 0 HG3 ARG A 115 13.642 1.929 -11.704 1.00 2.43 H new ATOM 0 HD2 ARG A 115 13.943 3.765 -13.082 1.00 2.92 H new ATOM 0 HD3 ARG A 115 14.473 4.782 -11.758 1.00 2.92 H new ATOM 0 HE ARG A 115 16.625 3.014 -11.983 1.00 3.45 H new ATOM 0 HH11 ARG A 115 16.497 5.948 -13.049 1.00 4.34 H new ATOM 0 HH12 ARG A 115 17.056 5.702 -14.707 1.00 4.34 H new ATOM 0 HH21 ARG A 115 16.566 2.244 -14.625 1.00 4.52 H new ATOM 0 HH22 ARG A 115 17.095 3.625 -15.591 1.00 4.52 H new ATOM 1796 N THR A 116 14.294 4.008 -6.518 1.00 1.09 N ATOM 1797 CA THR A 116 14.120 5.099 -5.527 1.00 1.33 C ATOM 1798 C THR A 116 15.488 5.559 -5.007 1.00 1.97 C ATOM 1799 O THR A 116 15.933 6.654 -5.287 1.00 2.63 O ATOM 1800 CB THR A 116 13.291 4.457 -4.411 1.00 1.60 C ATOM 1801 OG1 THR A 116 11.977 4.207 -4.886 1.00 2.17 O ATOM 1802 CG2 THR A 116 13.230 5.390 -3.207 1.00 1.81 C ATOM 0 H THR A 116 14.496 3.091 -6.120 1.00 1.09 H new ATOM 0 HA THR A 116 13.636 5.984 -5.941 1.00 1.33 H new ATOM 0 HB THR A 116 13.757 3.518 -4.111 1.00 1.60 H new ATOM 0 HG1 THR A 116 11.814 3.241 -4.903 1.00 2.17 H new ATOM 0 HG21 THR A 116 12.639 4.927 -2.417 1.00 1.81 H new ATOM 0 HG22 THR A 116 14.239 5.579 -2.841 1.00 1.81 H new ATOM 0 HG23 THR A 116 12.768 6.333 -3.500 1.00 1.81 H new ATOM 1810 N GLY A 117 16.156 4.729 -4.251 1.00 2.26 N ATOM 1811 CA GLY A 117 17.492 5.118 -3.714 1.00 3.23 C ATOM 1812 C GLY A 117 18.402 5.552 -4.869 1.00 3.72 C ATOM 1813 O GLY A 117 18.112 5.278 -6.017 1.00 3.64 O ATOM 0 H GLY A 117 15.834 3.799 -3.982 1.00 2.26 H new ATOM 0 HA2 GLY A 117 17.384 5.932 -2.997 1.00 3.23 H new ATOM 0 HA3 GLY A 117 17.939 4.279 -3.180 1.00 3.23 H new ATOM 1817 N PRO A 118 19.479 6.218 -4.531 1.00 4.60 N ATOM 1818 CA PRO A 118 20.432 6.687 -5.566 1.00 5.37 C ATOM 1819 C PRO A 118 21.234 5.509 -6.127 1.00 5.55 C ATOM 1820 O PRO A 118 21.731 5.555 -7.233 1.00 5.89 O ATOM 1821 CB PRO A 118 21.341 7.652 -4.811 1.00 6.27 C ATOM 1822 CG PRO A 118 21.268 7.215 -3.382 1.00 6.17 C ATOM 1823 CD PRO A 118 19.910 6.592 -3.176 1.00 5.22 C ATOM 0 HA PRO A 118 19.940 7.154 -6.419 1.00 5.37 H new ATOM 0 HB2 PRO A 118 22.363 7.606 -5.186 1.00 6.27 H new ATOM 0 HB3 PRO A 118 21.005 8.683 -4.926 1.00 6.27 H new ATOM 0 HG2 PRO A 118 22.058 6.498 -3.158 1.00 6.17 H new ATOM 0 HG3 PRO A 118 21.408 8.064 -2.712 1.00 6.17 H new ATOM 0 HD2 PRO A 118 19.965 5.723 -2.521 1.00 5.22 H new ATOM 0 HD3 PRO A 118 19.215 7.294 -2.716 1.00 5.22 H new ATOM 1831 N ALA A 119 21.360 4.453 -5.371 1.00 5.74 N ATOM 1832 CA ALA A 119 22.128 3.273 -5.861 1.00 6.37 C ATOM 1833 C ALA A 119 21.793 2.037 -5.020 1.00 7.12 C ATOM 1834 O ALA A 119 21.544 0.968 -5.542 1.00 7.52 O ATOM 1835 CB ALA A 119 23.597 3.656 -5.686 1.00 6.62 C ATOM 0 H ALA A 119 20.965 4.356 -4.436 1.00 5.74 H new ATOM 0 HA ALA A 119 21.891 3.027 -6.896 1.00 6.37 H new ATOM 0 HB1 ALA A 119 24.230 2.836 -6.026 1.00 6.62 H new ATOM 0 HB2 ALA A 119 23.813 4.548 -6.274 1.00 6.62 H new ATOM 0 HB3 ALA A 119 23.798 3.857 -4.634 1.00 6.62 H new ATOM 1841 N ALA A 120 21.785 2.175 -3.723 1.00 7.64 N ATOM 1842 CA ALA A 120 21.464 1.010 -2.849 1.00 8.64 C ATOM 1843 C ALA A 120 21.075 1.489 -1.448 1.00 9.09 C ATOM 1844 O ALA A 120 21.783 2.326 -0.912 1.00 9.37 O ATOM 1845 CB ALA A 120 22.752 0.187 -2.798 1.00 9.17 C ATOM 1846 OXT ALA A 120 20.076 1.012 -0.937 1.00 9.38 O ATOM 0 H ALA A 120 21.987 3.045 -3.230 1.00 7.64 H new ATOM 0 HA ALA A 120 20.624 0.428 -3.228 1.00 8.64 H new ATOM 0 HB1 ALA A 120 22.598 -0.692 -2.172 1.00 9.17 H new ATOM 0 HB2 ALA A 120 23.022 -0.129 -3.806 1.00 9.17 H new ATOM 0 HB3 ALA A 120 23.555 0.794 -2.380 1.00 9.17 H new TER 1852 ALA A 120