USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 14 SER OG : rot 180:sc= 0.895 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.683 K(o=1.6,f=-1.1!) USER MOD Single : A 1 ALA N :NH3+ 136:sc= 0.0336 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 75:sc= 1.29 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.936 USER MOD Single : A 11 SER OG : rot 180:sc= 0.011 USER MOD Single : A 17 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.75) USER MOD Single : A 30 THR OG1 : rot 91:sc= 1.15 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.783 USER MOD Single : A 36 GLN : amide:sc= 2.4 K(o=2.4,f=-6.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 48 ASN : amide:sc= -1.81! C(o=-1.8!,f=-9.8!) USER MOD Single : A 53 SER OG : rot 154:sc= 0.315 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0947 USER MOD Single : A 56 THR OG1 : rot -9:sc= 0.207 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 62 SER OG : rot 79:sc= 0.846 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 160:sc= -0.0242 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -90:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0644 USER MOD Single : A 90 THR OG1 : rot -45:sc= 0.0214 USER MOD Single : A 94 GLN : amide:sc= -4.17! C(o=-4.2!,f=-6.6!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.640 4.917 15.957 1.00 0.00 N ATOM 2 CA ALA A 1 -17.020 3.542 15.559 1.00 0.00 C ATOM 3 C ALA A 1 -15.800 2.794 15.045 1.00 0.00 C ATOM 4 O ALA A 1 -14.914 3.391 14.435 1.00 0.00 O ATOM 5 CB ALA A 1 -18.115 3.572 14.503 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.350 5.589 15.604 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.592 4.977 16.994 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.711 5.151 15.553 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.409 3.020 16.433 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.380 2.552 14.224 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.993 4.078 14.904 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.758 4.107 13.623 1.00 0.00 H new ATOM 11 N ALA A 2 -15.754 1.493 15.295 1.00 0.00 N ATOM 12 CA ALA A 2 -14.636 0.668 14.858 1.00 0.00 C ATOM 13 C ALA A 2 -14.857 0.141 13.443 1.00 0.00 C ATOM 14 O ALA A 2 -15.827 -0.578 13.182 1.00 0.00 O ATOM 15 CB ALA A 2 -14.434 -0.486 15.826 1.00 0.00 C ATOM 0 H ALA A 2 -16.480 0.985 15.800 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.739 1.287 14.847 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.596 -1.098 15.492 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.223 -0.094 16.821 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.337 -1.095 15.860 1.00 0.00 H new ATOM 21 N PRO A 3 -13.965 0.503 12.503 1.00 0.00 N ATOM 22 CA PRO A 3 -14.061 0.061 11.112 1.00 0.00 C ATOM 23 C PRO A 3 -13.574 -1.374 10.932 1.00 0.00 C ATOM 24 O PRO A 3 -13.118 -2.011 11.884 1.00 0.00 O ATOM 25 CB PRO A 3 -13.144 1.036 10.372 1.00 0.00 C ATOM 26 CG PRO A 3 -12.117 1.421 11.380 1.00 0.00 C ATOM 27 CD PRO A 3 -12.802 1.385 12.722 1.00 0.00 C ATOM 0 HA PRO A 3 -15.088 0.062 10.748 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.688 0.568 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.695 1.906 10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.273 0.732 11.357 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.723 2.416 11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.143 0.993 13.497 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.110 2.381 13.040 1.00 0.00 H new ATOM 35 N THR A 4 -13.663 -1.880 9.716 1.00 0.00 N ATOM 36 CA THR A 4 -13.239 -3.236 9.428 1.00 0.00 C ATOM 37 C THR A 4 -12.100 -3.247 8.412 1.00 0.00 C ATOM 38 O THR A 4 -12.287 -2.891 7.246 1.00 0.00 O ATOM 39 CB THR A 4 -14.420 -4.064 8.895 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.626 -3.676 9.569 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.176 -5.548 9.105 1.00 0.00 C ATOM 0 H THR A 4 -14.026 -1.370 8.911 1.00 0.00 H new ATOM 0 HA THR A 4 -12.880 -3.681 10.356 1.00 0.00 H new ATOM 0 HB THR A 4 -14.519 -3.875 7.826 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.377 -4.204 9.226 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.024 -6.114 8.720 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.271 -5.846 8.576 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.057 -5.750 10.170 1.00 0.00 H new ATOM 49 N ALA A 5 -10.914 -3.636 8.858 1.00 0.00 N ATOM 50 CA ALA A 5 -9.753 -3.692 7.985 1.00 0.00 C ATOM 51 C ALA A 5 -9.532 -5.118 7.495 1.00 0.00 C ATOM 52 O ALA A 5 -8.651 -5.829 7.982 1.00 0.00 O ATOM 53 CB ALA A 5 -8.520 -3.176 8.707 1.00 0.00 C ATOM 0 H ALA A 5 -10.732 -3.918 9.821 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.934 -3.053 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.660 -3.225 8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.683 -2.143 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.331 -3.790 9.588 1.00 0.00 H new ATOM 59 N THR A 6 -10.354 -5.536 6.548 1.00 0.00 N ATOM 60 CA THR A 6 -10.263 -6.876 5.991 1.00 0.00 C ATOM 61 C THR A 6 -9.231 -6.937 4.867 1.00 0.00 C ATOM 62 O THR A 6 -9.538 -6.674 3.703 1.00 0.00 O ATOM 63 CB THR A 6 -11.636 -7.343 5.465 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.540 -6.230 5.408 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.218 -8.422 6.364 1.00 0.00 C ATOM 0 H THR A 6 -11.096 -4.963 6.146 1.00 0.00 H new ATOM 0 HA THR A 6 -9.944 -7.544 6.791 1.00 0.00 H new ATOM 0 HB THR A 6 -11.499 -7.756 4.466 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.307 -5.658 4.647 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.186 -8.737 5.975 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.542 -9.277 6.391 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.343 -8.027 7.372 1.00 0.00 H new ATOM 73 N VAL A 7 -8.003 -7.273 5.222 1.00 0.00 N ATOM 74 CA VAL A 7 -6.931 -7.364 4.244 1.00 0.00 C ATOM 75 C VAL A 7 -6.295 -8.748 4.267 1.00 0.00 C ATOM 76 O VAL A 7 -6.173 -9.365 5.326 1.00 0.00 O ATOM 77 CB VAL A 7 -5.841 -6.290 4.481 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.395 -4.896 4.234 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.268 -6.391 5.887 1.00 0.00 C ATOM 0 H VAL A 7 -7.723 -7.487 6.179 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.378 -7.187 3.266 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.034 -6.473 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.612 -4.158 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.745 -4.821 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.226 -4.709 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.505 -5.625 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.065 -6.245 6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.823 -7.376 6.029 1.00 0.00 H new ATOM 89 N THR A 8 -5.917 -9.244 3.099 1.00 0.00 N ATOM 90 CA THR A 8 -5.285 -10.549 2.997 1.00 0.00 C ATOM 91 C THR A 8 -3.834 -10.406 2.546 1.00 0.00 C ATOM 92 O THR A 8 -3.556 -10.196 1.365 1.00 0.00 O ATOM 93 CB THR A 8 -6.046 -11.466 2.021 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.444 -11.465 2.343 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.517 -12.888 2.088 1.00 0.00 C ATOM 0 H THR A 8 -6.037 -8.762 2.208 1.00 0.00 H new ATOM 0 HA THR A 8 -5.310 -11.005 3.987 1.00 0.00 H new ATOM 0 HB THR A 8 -5.898 -11.085 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.924 -12.048 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.071 -13.515 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.460 -12.896 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.640 -13.275 3.100 1.00 0.00 H new ATOM 103 N PRO A 9 -2.894 -10.491 3.498 1.00 0.00 N ATOM 104 CA PRO A 9 -1.467 -10.365 3.214 1.00 0.00 C ATOM 105 C PRO A 9 -0.881 -11.637 2.608 1.00 0.00 C ATOM 106 O PRO A 9 -1.271 -12.747 2.969 1.00 0.00 O ATOM 107 CB PRO A 9 -0.861 -10.094 4.591 1.00 0.00 C ATOM 108 CG PRO A 9 -1.792 -10.732 5.563 1.00 0.00 C ATOM 109 CD PRO A 9 -3.159 -10.718 4.932 1.00 0.00 C ATOM 0 HA PRO A 9 -1.260 -9.585 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.140 -10.517 4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.771 -9.024 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.479 -11.752 5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.797 -10.188 6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.683 -11.660 5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.783 -9.929 5.351 1.00 0.00 H new ATOM 117 N SER A 10 0.056 -11.472 1.683 1.00 0.00 N ATOM 118 CA SER A 10 0.700 -12.599 1.020 1.00 0.00 C ATOM 119 C SER A 10 1.831 -13.172 1.880 1.00 0.00 C ATOM 120 O SER A 10 2.998 -13.177 1.482 1.00 0.00 O ATOM 121 CB SER A 10 1.235 -12.139 -0.332 1.00 0.00 C ATOM 122 OG SER A 10 0.308 -11.271 -0.966 1.00 0.00 O ATOM 0 H SER A 10 0.389 -10.559 1.373 1.00 0.00 H new ATOM 0 HA SER A 10 -0.033 -13.392 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.188 -11.627 -0.197 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.425 -13.004 -0.968 1.00 0.00 H new ATOM 0 HG SER A 10 0.668 -10.984 -1.831 1.00 0.00 H new ATOM 128 N SER A 11 1.470 -13.657 3.057 1.00 0.00 N ATOM 129 CA SER A 11 2.431 -14.227 3.989 1.00 0.00 C ATOM 130 C SER A 11 2.918 -15.594 3.513 1.00 0.00 C ATOM 131 O SER A 11 2.139 -16.545 3.420 1.00 0.00 O ATOM 132 CB SER A 11 1.785 -14.350 5.369 1.00 0.00 C ATOM 133 OG SER A 11 0.872 -13.287 5.598 1.00 0.00 O ATOM 0 H SER A 11 0.507 -13.667 3.393 1.00 0.00 H new ATOM 0 HA SER A 11 3.296 -13.566 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.265 -15.305 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.557 -14.343 6.138 1.00 0.00 H new ATOM 0 HG SER A 11 0.470 -13.387 6.486 1.00 0.00 H new ATOM 139 N GLY A 12 4.204 -15.685 3.196 1.00 0.00 N ATOM 140 CA GLY A 12 4.774 -16.941 2.751 1.00 0.00 C ATOM 141 C GLY A 12 4.575 -17.175 1.270 1.00 0.00 C ATOM 142 O GLY A 12 4.586 -18.317 0.805 1.00 0.00 O ATOM 0 H GLY A 12 4.864 -14.908 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.840 -16.953 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.320 -17.760 3.309 1.00 0.00 H new ATOM 146 N LEU A 13 4.392 -16.097 0.524 1.00 0.00 N ATOM 147 CA LEU A 13 4.190 -16.190 -0.912 1.00 0.00 C ATOM 148 C LEU A 13 5.290 -15.434 -1.645 1.00 0.00 C ATOM 149 O LEU A 13 5.941 -14.563 -1.070 1.00 0.00 O ATOM 150 CB LEU A 13 2.802 -15.656 -1.286 1.00 0.00 C ATOM 151 CG LEU A 13 1.636 -16.521 -0.798 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.310 -15.806 -0.979 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.612 -17.855 -1.521 1.00 0.00 C ATOM 0 H LEU A 13 4.379 -15.145 0.891 1.00 0.00 H new ATOM 0 HA LEU A 13 4.240 -17.236 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.690 -14.652 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.742 -15.565 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 13 1.785 -16.704 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.499 -16.444 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.317 -14.877 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.159 -15.582 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.775 -18.451 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.499 -17.686 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.545 -18.387 -1.334 1.00 0.00 H new ATOM 165 N SER A 14 5.506 -15.790 -2.901 1.00 0.00 N ATOM 166 CA SER A 14 6.536 -15.163 -3.711 1.00 0.00 C ATOM 167 C SER A 14 6.017 -13.886 -4.368 1.00 0.00 C ATOM 168 O SER A 14 4.838 -13.540 -4.232 1.00 0.00 O ATOM 169 CB SER A 14 7.005 -16.143 -4.787 1.00 0.00 C ATOM 170 OG SER A 14 6.943 -17.483 -4.320 1.00 0.00 O ATOM 0 H SER A 14 4.977 -16.516 -3.384 1.00 0.00 H new ATOM 0 HA SER A 14 7.371 -14.897 -3.063 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.384 -16.036 -5.677 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.027 -15.904 -5.081 1.00 0.00 H new ATOM 0 HG SER A 14 7.247 -18.090 -5.027 1.00 0.00 H new ATOM 176 N ASP A 15 6.897 -13.185 -5.078 1.00 0.00 N ATOM 177 CA ASP A 15 6.511 -11.960 -5.763 1.00 0.00 C ATOM 178 C ASP A 15 5.603 -12.299 -6.939 1.00 0.00 C ATOM 179 O ASP A 15 5.738 -13.358 -7.559 1.00 0.00 O ATOM 180 CB ASP A 15 7.740 -11.165 -6.229 1.00 0.00 C ATOM 181 CG ASP A 15 8.491 -11.825 -7.367 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.320 -12.720 -7.097 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.272 -11.435 -8.531 1.00 0.00 O ATOM 0 H ASP A 15 7.877 -13.444 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 15 5.967 -11.327 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.422 -10.171 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.418 -11.032 -5.386 1.00 0.00 H new ATOM 188 N GLY A 16 4.679 -11.405 -7.233 1.00 0.00 N ATOM 189 CA GLY A 16 3.734 -11.638 -8.304 1.00 0.00 C ATOM 190 C GLY A 16 2.373 -11.995 -7.750 1.00 0.00 C ATOM 191 O GLY A 16 1.390 -12.106 -8.487 1.00 0.00 O ATOM 0 H GLY A 16 4.564 -10.515 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.656 -10.747 -8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.094 -12.444 -8.944 1.00 0.00 H new ATOM 195 N THR A 17 2.330 -12.189 -6.440 1.00 0.00 N ATOM 196 CA THR A 17 1.102 -12.521 -5.749 1.00 0.00 C ATOM 197 C THR A 17 0.220 -11.280 -5.619 1.00 0.00 C ATOM 198 O THR A 17 0.721 -10.158 -5.493 1.00 0.00 O ATOM 199 CB THR A 17 1.404 -13.101 -4.353 1.00 0.00 C ATOM 200 OG1 THR A 17 2.297 -14.218 -4.472 1.00 0.00 O ATOM 201 CG2 THR A 17 0.128 -13.546 -3.657 1.00 0.00 C ATOM 0 H THR A 17 3.146 -12.120 -5.831 1.00 0.00 H new ATOM 0 HA THR A 17 0.573 -13.275 -6.331 1.00 0.00 H new ATOM 0 HB THR A 17 1.870 -12.318 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.191 -13.898 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.372 -13.951 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.540 -12.693 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.363 -14.314 -4.254 1.00 0.00 H new ATOM 209 N VAL A 18 -1.084 -11.481 -5.668 1.00 0.00 N ATOM 210 CA VAL A 18 -2.024 -10.384 -5.566 1.00 0.00 C ATOM 211 C VAL A 18 -2.514 -10.218 -4.130 1.00 0.00 C ATOM 212 O VAL A 18 -3.021 -11.162 -3.518 1.00 0.00 O ATOM 213 CB VAL A 18 -3.235 -10.595 -6.497 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.023 -9.306 -6.642 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.787 -11.109 -7.861 1.00 0.00 C ATOM 0 H VAL A 18 -1.516 -12.398 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.498 -9.480 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.884 -11.347 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.874 -9.472 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.380 -8.986 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.381 -8.533 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.658 -11.250 -8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.114 -10.385 -8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.268 -12.060 -7.739 1.00 0.00 H new ATOM 225 N VAL A 19 -2.336 -9.021 -3.589 1.00 0.00 N ATOM 226 CA VAL A 19 -2.766 -8.712 -2.236 1.00 0.00 C ATOM 227 C VAL A 19 -4.186 -8.159 -2.256 1.00 0.00 C ATOM 228 O VAL A 19 -4.464 -7.168 -2.939 1.00 0.00 O ATOM 229 CB VAL A 19 -1.829 -7.686 -1.566 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.257 -7.415 -0.131 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.384 -8.161 -1.609 1.00 0.00 C ATOM 0 H VAL A 19 -1.892 -8.242 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.734 -9.636 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.900 -6.754 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.581 -6.689 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.273 -7.019 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.225 -8.343 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.257 -7.420 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.297 -9.111 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.075 -8.292 -2.646 1.00 0.00 H new ATOM 241 N LYS A 20 -5.082 -8.803 -1.523 1.00 0.00 N ATOM 242 CA LYS A 20 -6.471 -8.373 -1.469 1.00 0.00 C ATOM 243 C LYS A 20 -6.696 -7.389 -0.329 1.00 0.00 C ATOM 244 O LYS A 20 -6.545 -7.735 0.847 1.00 0.00 O ATOM 245 CB LYS A 20 -7.402 -9.577 -1.304 1.00 0.00 C ATOM 246 CG LYS A 20 -8.881 -9.216 -1.341 1.00 0.00 C ATOM 247 CD LYS A 20 -9.758 -10.459 -1.337 1.00 0.00 C ATOM 248 CE LYS A 20 -9.725 -11.181 -2.677 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.415 -12.496 -2.618 1.00 0.00 N ATOM 0 H LYS A 20 -4.872 -9.625 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.699 -7.873 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.193 -10.298 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.181 -10.069 -0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.126 -8.593 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.090 -8.625 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.424 -11.137 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.784 -10.178 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.197 -10.558 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.690 -11.328 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.369 -12.954 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.949 -13.101 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.410 -12.354 -2.350 1.00 0.00 H new ATOM 263 N VAL A 21 -7.050 -6.164 -0.683 1.00 0.00 N ATOM 264 CA VAL A 21 -7.310 -5.124 0.300 1.00 0.00 C ATOM 265 C VAL A 21 -8.767 -4.679 0.220 1.00 0.00 C ATOM 266 O VAL A 21 -9.174 -4.042 -0.750 1.00 0.00 O ATOM 267 CB VAL A 21 -6.380 -3.905 0.093 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.749 -2.771 1.036 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.926 -4.299 0.288 1.00 0.00 C ATOM 0 H VAL A 21 -7.165 -5.864 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.109 -5.541 1.287 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.512 -3.555 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.080 -1.927 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.777 -2.462 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.655 -3.110 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.289 -3.427 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.785 -4.681 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.659 -5.072 -0.433 1.00 0.00 H new ATOM 279 N ALA A 22 -9.552 -5.034 1.229 1.00 0.00 N ATOM 280 CA ALA A 22 -10.959 -4.672 1.261 1.00 0.00 C ATOM 281 C ALA A 22 -11.296 -3.947 2.558 1.00 0.00 C ATOM 282 O ALA A 22 -11.585 -4.571 3.579 1.00 0.00 O ATOM 283 CB ALA A 22 -11.827 -5.912 1.092 1.00 0.00 C ATOM 0 H ALA A 22 -9.236 -5.573 2.036 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.163 -3.994 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.879 -5.626 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.603 -6.385 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.621 -6.613 1.901 1.00 0.00 H new ATOM 289 N GLY A 23 -11.239 -2.626 2.521 1.00 0.00 N ATOM 290 CA GLY A 23 -11.539 -1.845 3.699 1.00 0.00 C ATOM 291 C GLY A 23 -13.014 -1.525 3.800 1.00 0.00 C ATOM 292 O GLY A 23 -13.643 -1.167 2.805 1.00 0.00 O ATOM 0 H GLY A 23 -10.990 -2.081 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.224 -2.392 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.967 -0.918 3.676 1.00 0.00 H new ATOM 296 N ALA A 24 -13.572 -1.665 4.993 1.00 0.00 N ATOM 297 CA ALA A 24 -14.983 -1.386 5.215 1.00 0.00 C ATOM 298 C ALA A 24 -15.157 -0.474 6.418 1.00 0.00 C ATOM 299 O ALA A 24 -14.360 -0.517 7.358 1.00 0.00 O ATOM 300 CB ALA A 24 -15.756 -2.679 5.411 1.00 0.00 C ATOM 0 H ALA A 24 -13.067 -1.971 5.825 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.379 -0.879 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.809 -2.452 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.654 -3.302 4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.360 -3.212 6.276 1.00 0.00 H new ATOM 306 N GLY A 25 -16.195 0.349 6.390 1.00 0.00 N ATOM 307 CA GLY A 25 -16.441 1.263 7.487 1.00 0.00 C ATOM 308 C GLY A 25 -15.546 2.481 7.412 1.00 0.00 C ATOM 309 O GLY A 25 -15.178 3.061 8.436 1.00 0.00 O ATOM 0 H GLY A 25 -16.871 0.400 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.485 1.577 7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.276 0.748 8.434 1.00 0.00 H new ATOM 313 N LEU A 26 -15.201 2.870 6.192 1.00 0.00 N ATOM 314 CA LEU A 26 -14.335 4.017 5.964 1.00 0.00 C ATOM 315 C LEU A 26 -15.173 5.267 5.701 1.00 0.00 C ATOM 316 O LEU A 26 -16.297 5.385 6.198 1.00 0.00 O ATOM 317 CB LEU A 26 -13.403 3.739 4.780 1.00 0.00 C ATOM 318 CG LEU A 26 -12.666 2.397 4.832 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.874 2.179 3.555 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.749 2.331 6.045 1.00 0.00 C ATOM 0 H LEU A 26 -15.511 2.403 5.340 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.730 4.188 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.987 3.779 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.665 4.539 4.724 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.407 1.603 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.356 1.221 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.552 2.179 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.144 2.980 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.236 1.369 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.014 3.134 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.340 2.443 6.954 1.00 0.00 H new ATOM 332 N GLN A 27 -14.629 6.196 4.929 1.00 0.00 N ATOM 333 CA GLN A 27 -15.333 7.426 4.607 1.00 0.00 C ATOM 334 C GLN A 27 -15.689 7.456 3.126 1.00 0.00 C ATOM 335 O GLN A 27 -14.803 7.485 2.268 1.00 0.00 O ATOM 336 CB GLN A 27 -14.474 8.641 4.973 1.00 0.00 C ATOM 337 CG GLN A 27 -15.194 9.969 4.807 1.00 0.00 C ATOM 338 CD GLN A 27 -16.475 10.045 5.618 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.590 9.436 6.685 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.449 10.784 5.114 1.00 0.00 N ATOM 0 H GLN A 27 -13.700 6.120 4.514 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.254 7.464 5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.144 8.543 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.579 8.643 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.529 10.778 5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.426 10.123 3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.313 11.272 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.336 10.866 5.611 1.00 0.00 H new ATOM 349 N ALA A 28 -16.982 7.438 2.832 1.00 0.00 N ATOM 350 CA ALA A 28 -17.454 7.468 1.454 1.00 0.00 C ATOM 351 C ALA A 28 -17.081 8.786 0.792 1.00 0.00 C ATOM 352 O ALA A 28 -17.067 9.834 1.442 1.00 0.00 O ATOM 353 CB ALA A 28 -18.962 7.256 1.403 1.00 0.00 C ATOM 0 H ALA A 28 -17.724 7.403 3.531 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.972 6.658 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.298 7.281 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.208 6.289 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.460 8.046 1.965 1.00 0.00 H new ATOM 359 N GLY A 29 -16.761 8.731 -0.492 1.00 0.00 N ATOM 360 CA GLY A 29 -16.384 9.931 -1.218 1.00 0.00 C ATOM 361 C GLY A 29 -14.912 10.267 -1.067 1.00 0.00 C ATOM 362 O GLY A 29 -14.477 11.357 -1.441 1.00 0.00 O ATOM 0 H GLY A 29 -16.755 7.876 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.616 9.800 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.983 10.770 -0.862 1.00 0.00 H new ATOM 366 N THR A 30 -14.141 9.329 -0.535 1.00 0.00 N ATOM 367 CA THR A 30 -12.715 9.537 -0.327 1.00 0.00 C ATOM 368 C THR A 30 -11.900 8.546 -1.156 1.00 0.00 C ATOM 369 O THR A 30 -12.310 7.395 -1.339 1.00 0.00 O ATOM 370 CB THR A 30 -12.351 9.382 1.164 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.432 9.858 1.974 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.083 10.154 1.502 1.00 0.00 C ATOM 0 H THR A 30 -14.480 8.414 -0.239 1.00 0.00 H new ATOM 0 HA THR A 30 -12.476 10.551 -0.647 1.00 0.00 H new ATOM 0 HB THR A 30 -12.174 8.326 1.365 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.039 9.116 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.850 10.027 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.256 9.777 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.233 11.212 1.288 1.00 0.00 H new ATOM 380 N ALA A 31 -10.760 8.998 -1.666 1.00 0.00 N ATOM 381 CA ALA A 31 -9.889 8.154 -2.470 1.00 0.00 C ATOM 382 C ALA A 31 -8.714 7.654 -1.641 1.00 0.00 C ATOM 383 O ALA A 31 -7.990 8.446 -1.033 1.00 0.00 O ATOM 384 CB ALA A 31 -9.392 8.914 -3.691 1.00 0.00 C ATOM 0 H ALA A 31 -10.418 9.950 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.463 7.291 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.742 8.269 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.243 9.225 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.835 9.794 -3.370 1.00 0.00 H new ATOM 390 N TYR A 32 -8.520 6.344 -1.626 1.00 0.00 N ATOM 391 CA TYR A 32 -7.438 5.743 -0.859 1.00 0.00 C ATOM 392 C TYR A 32 -6.351 5.217 -1.788 1.00 0.00 C ATOM 393 O TYR A 32 -6.641 4.634 -2.832 1.00 0.00 O ATOM 394 CB TYR A 32 -7.978 4.612 0.025 1.00 0.00 C ATOM 395 CG TYR A 32 -8.993 5.075 1.052 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.332 5.230 0.712 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.615 5.360 2.358 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.261 5.656 1.643 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.540 5.787 3.294 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.858 5.932 2.931 1.00 0.00 C ATOM 401 OH TYR A 32 -11.781 6.359 3.860 1.00 0.00 O ATOM 0 H TYR A 32 -9.098 5.676 -2.136 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.001 6.509 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.436 3.853 -0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.144 4.135 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.652 5.014 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.581 5.246 2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.297 5.772 1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.228 6.005 4.305 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.335 6.509 4.720 1.00 0.00 H new ATOM 411 N ASP A 33 -5.101 5.448 -1.421 1.00 0.00 N ATOM 412 CA ASP A 33 -3.969 4.992 -2.217 1.00 0.00 C ATOM 413 C ASP A 33 -3.317 3.803 -1.532 1.00 0.00 C ATOM 414 O ASP A 33 -2.871 3.898 -0.384 1.00 0.00 O ATOM 415 CB ASP A 33 -2.956 6.124 -2.400 1.00 0.00 C ATOM 416 CG ASP A 33 -2.448 6.233 -3.822 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.283 6.301 -4.749 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.212 6.285 -4.015 1.00 0.00 O ATOM 0 H ASP A 33 -4.842 5.951 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.322 4.689 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.417 7.068 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.112 5.962 -1.729 1.00 0.00 H new ATOM 423 N VAL A 34 -3.288 2.673 -2.222 1.00 0.00 N ATOM 424 CA VAL A 34 -2.705 1.465 -1.667 1.00 0.00 C ATOM 425 C VAL A 34 -1.643 0.896 -2.601 1.00 0.00 C ATOM 426 O VAL A 34 -1.876 0.744 -3.803 1.00 0.00 O ATOM 427 CB VAL A 34 -3.782 0.383 -1.408 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.206 -0.768 -0.594 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.001 0.976 -0.711 1.00 0.00 C ATOM 0 H VAL A 34 -3.661 2.569 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.246 1.740 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.103 -0.006 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.980 -1.516 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.377 -1.220 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.848 -0.392 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.740 0.193 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.701 1.404 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.435 1.756 -1.337 1.00 0.00 H new ATOM 439 N GLY A 35 -0.470 0.616 -2.051 1.00 0.00 N ATOM 440 CA GLY A 35 0.603 0.050 -2.837 1.00 0.00 C ATOM 441 C GLY A 35 1.563 -0.731 -1.975 1.00 0.00 C ATOM 442 O GLY A 35 1.372 -0.826 -0.761 1.00 0.00 O ATOM 0 H GLY A 35 -0.243 0.772 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.188 -0.602 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.139 0.848 -3.351 1.00 0.00 H new ATOM 446 N GLN A 36 2.580 -1.310 -2.585 1.00 0.00 N ATOM 447 CA GLN A 36 3.568 -2.056 -1.828 1.00 0.00 C ATOM 448 C GLN A 36 4.632 -1.080 -1.352 1.00 0.00 C ATOM 449 O GLN A 36 5.205 -0.331 -2.143 1.00 0.00 O ATOM 450 CB GLN A 36 4.170 -3.206 -2.656 1.00 0.00 C ATOM 451 CG GLN A 36 5.340 -2.807 -3.539 1.00 0.00 C ATOM 452 CD GLN A 36 5.917 -3.982 -4.294 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.537 -4.249 -5.429 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.839 -4.696 -3.664 1.00 0.00 N ATOM 0 H GLN A 36 2.743 -1.279 -3.591 1.00 0.00 H new ATOM 0 HA GLN A 36 3.095 -2.528 -0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.497 -3.993 -1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.387 -3.632 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.014 -2.047 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.119 -2.356 -2.924 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.126 -4.439 -2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.261 -5.503 -4.124 1.00 0.00 H new ATOM 463 N CYS A 37 4.857 -1.042 -0.058 1.00 0.00 N ATOM 464 CA CYS A 37 5.825 -0.127 0.507 1.00 0.00 C ATOM 465 C CYS A 37 6.818 -0.869 1.385 1.00 0.00 C ATOM 466 O CYS A 37 6.665 -2.065 1.632 1.00 0.00 O ATOM 467 CB CYS A 37 5.092 0.954 1.303 1.00 0.00 C ATOM 468 SG CYS A 37 3.382 1.245 0.735 1.00 0.00 S ATOM 0 H CYS A 37 4.383 -1.634 0.624 1.00 0.00 H new ATOM 0 HA CYS A 37 6.388 0.344 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.073 0.669 2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.652 1.886 1.235 1.00 0.00 H new ATOM 473 N ALA A 38 7.842 -0.162 1.835 1.00 0.00 N ATOM 474 CA ALA A 38 8.865 -0.740 2.694 1.00 0.00 C ATOM 475 C ALA A 38 9.679 0.365 3.343 1.00 0.00 C ATOM 476 O ALA A 38 9.630 1.516 2.898 1.00 0.00 O ATOM 477 CB ALA A 38 9.766 -1.670 1.891 1.00 0.00 C ATOM 0 H ALA A 38 7.988 0.824 1.617 1.00 0.00 H new ATOM 0 HA ALA A 38 8.383 -1.325 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.526 -2.095 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.168 -2.473 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.249 -1.108 1.092 1.00 0.00 H new ATOM 483 N TRP A 39 10.401 0.021 4.406 1.00 0.00 N ATOM 484 CA TRP A 39 11.241 0.981 5.114 1.00 0.00 C ATOM 485 C TRP A 39 12.380 1.446 4.212 1.00 0.00 C ATOM 486 O TRP A 39 13.333 0.701 3.970 1.00 0.00 O ATOM 487 CB TRP A 39 11.812 0.360 6.395 1.00 0.00 C ATOM 488 CG TRP A 39 10.955 0.578 7.608 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.655 0.195 7.780 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.343 1.224 8.829 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.209 0.572 9.027 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.229 1.200 9.689 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.527 1.819 9.275 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.262 1.750 10.968 1.00 0.00 C ATOM 495 CZ3 TRP A 39 12.558 2.364 10.546 1.00 0.00 C ATOM 496 CH2 TRP A 39 11.434 2.325 11.379 1.00 0.00 C ATOM 0 H TRP A 39 10.421 -0.921 4.797 1.00 0.00 H new ATOM 0 HA TRP A 39 10.626 1.839 5.387 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.942 -0.711 6.241 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.801 0.778 6.581 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.062 -0.328 7.044 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.272 0.410 9.397 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.400 1.852 8.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.395 1.724 11.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.466 2.828 10.902 1.00 0.00 H new ATOM 0 HH2 TRP A 39 11.493 2.758 12.367 1.00 0.00 H new ATOM 507 N VAL A 40 12.274 2.669 3.711 1.00 0.00 N ATOM 508 CA VAL A 40 13.286 3.223 2.824 1.00 0.00 C ATOM 509 C VAL A 40 14.303 4.046 3.613 1.00 0.00 C ATOM 510 O VAL A 40 15.418 4.294 3.151 1.00 0.00 O ATOM 511 CB VAL A 40 12.640 4.080 1.705 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.167 5.428 2.232 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.601 4.261 0.542 1.00 0.00 C ATOM 0 H VAL A 40 11.495 3.298 3.905 1.00 0.00 H new ATOM 0 HA VAL A 40 13.808 2.391 2.351 1.00 0.00 H new ATOM 0 HB VAL A 40 11.762 3.543 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.720 6.000 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.426 5.272 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.016 5.978 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.127 4.865 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.504 4.762 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.863 3.286 0.131 1.00 0.00 H new ATOM 523 N ASP A 41 13.911 4.449 4.813 1.00 0.00 N ATOM 524 CA ASP A 41 14.773 5.230 5.690 1.00 0.00 C ATOM 525 C ASP A 41 14.294 5.083 7.129 1.00 0.00 C ATOM 526 O ASP A 41 13.371 4.313 7.399 1.00 0.00 O ATOM 527 CB ASP A 41 14.773 6.709 5.282 1.00 0.00 C ATOM 528 CG ASP A 41 15.984 7.459 5.799 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.042 7.426 5.139 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.889 8.075 6.879 1.00 0.00 O ATOM 0 H ASP A 41 12.992 4.246 5.205 1.00 0.00 H new ATOM 0 HA ASP A 41 15.793 4.857 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.743 6.782 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.868 7.185 5.659 1.00 0.00 H new ATOM 535 N THR A 42 14.899 5.830 8.039 1.00 0.00 N ATOM 536 CA THR A 42 14.543 5.784 9.445 1.00 0.00 C ATOM 537 C THR A 42 13.144 6.353 9.682 1.00 0.00 C ATOM 538 O THR A 42 12.965 7.568 9.807 1.00 0.00 O ATOM 539 CB THR A 42 15.565 6.568 10.290 1.00 0.00 C ATOM 540 OG1 THR A 42 16.873 6.417 9.722 1.00 0.00 O ATOM 541 CG2 THR A 42 15.577 6.072 11.727 1.00 0.00 C ATOM 0 H THR A 42 15.650 6.485 7.822 1.00 0.00 H new ATOM 0 HA THR A 42 14.550 4.737 9.749 1.00 0.00 H new ATOM 0 HB THR A 42 15.278 7.620 10.289 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.523 6.917 10.259 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.307 6.642 12.302 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.588 6.202 12.165 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.845 5.016 11.745 1.00 0.00 H new ATOM 549 N GLY A 43 12.148 5.472 9.701 1.00 0.00 N ATOM 550 CA GLY A 43 10.782 5.896 9.933 1.00 0.00 C ATOM 551 C GLY A 43 10.058 6.254 8.654 1.00 0.00 C ATOM 552 O GLY A 43 8.834 6.390 8.646 1.00 0.00 O ATOM 0 H GLY A 43 12.265 4.469 9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.240 5.099 10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.782 6.758 10.600 1.00 0.00 H new ATOM 556 N VAL A 44 10.807 6.396 7.567 1.00 0.00 N ATOM 557 CA VAL A 44 10.223 6.751 6.283 1.00 0.00 C ATOM 558 C VAL A 44 10.016 5.515 5.423 1.00 0.00 C ATOM 559 O VAL A 44 10.925 4.699 5.258 1.00 0.00 O ATOM 560 CB VAL A 44 11.102 7.760 5.515 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.357 8.311 4.311 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.546 8.891 6.429 1.00 0.00 C ATOM 0 H VAL A 44 11.819 6.270 7.551 1.00 0.00 H new ATOM 0 HA VAL A 44 9.260 7.216 6.492 1.00 0.00 H new ATOM 0 HB VAL A 44 11.990 7.237 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.994 9.021 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.092 7.493 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.450 8.815 4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.165 9.591 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.670 9.411 6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.122 8.483 7.259 1.00 0.00 H new ATOM 572 N LEU A 45 8.813 5.376 4.895 1.00 0.00 N ATOM 573 CA LEU A 45 8.474 4.255 4.037 1.00 0.00 C ATOM 574 C LEU A 45 8.128 4.784 2.649 1.00 0.00 C ATOM 575 O LEU A 45 7.813 5.962 2.501 1.00 0.00 O ATOM 576 CB LEU A 45 7.299 3.453 4.622 1.00 0.00 C ATOM 577 CG LEU A 45 7.636 2.558 5.825 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.752 3.383 7.097 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.583 1.475 5.994 1.00 0.00 C ATOM 0 H LEU A 45 8.048 6.033 5.048 1.00 0.00 H new ATOM 0 HA LEU A 45 9.328 3.581 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.518 4.153 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.881 2.828 3.833 1.00 0.00 H new ATOM 0 HG LEU A 45 8.599 2.083 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.991 2.728 7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.542 4.124 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.806 3.889 7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.838 0.851 6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.609 1.937 6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.546 0.860 5.095 1.00 0.00 H new ATOM 591 N ALA A 46 8.203 3.934 1.639 1.00 0.00 N ATOM 592 CA ALA A 46 7.896 4.351 0.275 1.00 0.00 C ATOM 593 C ALA A 46 7.184 3.238 -0.483 1.00 0.00 C ATOM 594 O ALA A 46 7.550 2.072 -0.345 1.00 0.00 O ATOM 595 CB ALA A 46 9.174 4.759 -0.441 1.00 0.00 C ATOM 0 H ALA A 46 8.472 2.955 1.733 1.00 0.00 H new ATOM 0 HA ALA A 46 7.226 5.210 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.938 5.069 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.641 5.587 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.861 3.913 -0.470 1.00 0.00 H new ATOM 601 N CYS A 47 6.175 3.599 -1.274 1.00 0.00 N ATOM 602 CA CYS A 47 5.408 2.615 -2.040 1.00 0.00 C ATOM 603 C CYS A 47 5.722 2.705 -3.527 1.00 0.00 C ATOM 604 O CYS A 47 6.365 3.652 -3.974 1.00 0.00 O ATOM 605 CB CYS A 47 3.905 2.813 -1.832 1.00 0.00 C ATOM 606 SG CYS A 47 3.418 3.095 -0.101 1.00 0.00 S ATOM 0 H CYS A 47 5.869 4.564 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 47 5.697 1.629 -1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.576 3.661 -2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.380 1.934 -2.206 1.00 0.00 H new ATOM 611 N ASN A 48 5.248 1.717 -4.283 1.00 0.00 N ATOM 612 CA ASN A 48 5.464 1.667 -5.725 1.00 0.00 C ATOM 613 C ASN A 48 4.380 2.446 -6.470 1.00 0.00 C ATOM 614 O ASN A 48 3.192 2.253 -6.235 1.00 0.00 O ATOM 615 CB ASN A 48 5.506 0.208 -6.221 1.00 0.00 C ATOM 616 CG ASN A 48 4.209 -0.563 -6.002 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.474 -0.332 -5.040 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.931 -1.506 -6.887 1.00 0.00 N ATOM 0 H ASN A 48 4.707 0.934 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 48 6.427 2.134 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.743 0.204 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.316 -0.314 -5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.086 -2.068 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.561 -1.671 -7.672 1.00 0.00 H new ATOM 625 N PRO A 49 4.777 3.357 -7.367 1.00 0.00 N ATOM 626 CA PRO A 49 3.841 4.159 -8.147 1.00 0.00 C ATOM 627 C PRO A 49 3.500 3.531 -9.502 1.00 0.00 C ATOM 628 O PRO A 49 2.811 4.141 -10.318 1.00 0.00 O ATOM 629 CB PRO A 49 4.630 5.446 -8.348 1.00 0.00 C ATOM 630 CG PRO A 49 6.042 4.983 -8.489 1.00 0.00 C ATOM 631 CD PRO A 49 6.172 3.726 -7.657 1.00 0.00 C ATOM 0 HA PRO A 49 2.877 4.277 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.296 5.985 -9.234 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.514 6.122 -7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.281 4.782 -9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.737 5.749 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.691 2.937 -8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.737 3.907 -6.743 1.00 0.00 H new ATOM 639 N ALA A 50 3.984 2.320 -9.742 1.00 0.00 N ATOM 640 CA ALA A 50 3.726 1.643 -11.006 1.00 0.00 C ATOM 641 C ALA A 50 2.607 0.614 -10.880 1.00 0.00 C ATOM 642 O ALA A 50 1.554 0.756 -11.499 1.00 0.00 O ATOM 643 CB ALA A 50 4.995 0.992 -11.525 1.00 0.00 C ATOM 0 H ALA A 50 4.554 1.789 -9.083 1.00 0.00 H new ATOM 0 HA ALA A 50 3.397 2.396 -11.722 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.786 0.490 -12.470 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.758 1.755 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.353 0.263 -10.798 1.00 0.00 H new ATOM 649 N ASP A 51 2.833 -0.414 -10.066 1.00 0.00 N ATOM 650 CA ASP A 51 1.841 -1.473 -9.874 1.00 0.00 C ATOM 651 C ASP A 51 0.906 -1.157 -8.708 1.00 0.00 C ATOM 652 O ASP A 51 0.433 -2.065 -8.021 1.00 0.00 O ATOM 653 CB ASP A 51 2.529 -2.823 -9.623 1.00 0.00 C ATOM 654 CG ASP A 51 3.169 -3.402 -10.868 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.429 -3.859 -11.765 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.416 -3.424 -10.945 1.00 0.00 O ATOM 0 H ASP A 51 3.691 -0.538 -9.529 1.00 0.00 H new ATOM 0 HA ASP A 51 1.251 -1.532 -10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.291 -2.699 -8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.797 -3.531 -9.235 1.00 0.00 H new ATOM 661 N PHE A 52 0.631 0.121 -8.486 1.00 0.00 N ATOM 662 CA PHE A 52 -0.256 0.526 -7.402 1.00 0.00 C ATOM 663 C PHE A 52 -1.688 0.626 -7.910 1.00 0.00 C ATOM 664 O PHE A 52 -1.929 0.588 -9.119 1.00 0.00 O ATOM 665 CB PHE A 52 0.200 1.858 -6.790 1.00 0.00 C ATOM 666 CG PHE A 52 -0.372 3.085 -7.455 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.057 3.476 -8.712 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.343 3.843 -6.816 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.467 4.600 -9.320 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.871 4.967 -7.419 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.434 5.346 -8.673 1.00 0.00 C ATOM 0 H PHE A 52 1.006 0.892 -9.038 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.216 -0.231 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.075 1.871 -5.735 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.288 1.910 -6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.810 2.895 -9.223 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.690 3.550 -5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.122 4.896 -10.300 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.625 5.549 -6.911 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.847 6.224 -9.147 1.00 0.00 H new ATOM 681 N SER A 53 -2.634 0.741 -6.994 1.00 0.00 N ATOM 682 CA SER A 53 -4.032 0.841 -7.367 1.00 0.00 C ATOM 683 C SER A 53 -4.750 1.882 -6.513 1.00 0.00 C ATOM 684 O SER A 53 -4.762 1.796 -5.282 1.00 0.00 O ATOM 685 CB SER A 53 -4.702 -0.527 -7.238 1.00 0.00 C ATOM 686 OG SER A 53 -4.003 -1.502 -8.001 1.00 0.00 O ATOM 0 H SER A 53 -2.459 0.767 -5.989 1.00 0.00 H new ATOM 0 HA SER A 53 -4.095 1.166 -8.406 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.728 -0.828 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.736 -0.465 -7.578 1.00 0.00 H new ATOM 0 HG SER A 53 -4.146 -2.389 -7.609 1.00 0.00 H new ATOM 692 N SER A 54 -5.321 2.879 -7.173 1.00 0.00 N ATOM 693 CA SER A 54 -6.045 3.937 -6.487 1.00 0.00 C ATOM 694 C SER A 54 -7.513 3.559 -6.335 1.00 0.00 C ATOM 695 O SER A 54 -8.302 3.697 -7.272 1.00 0.00 O ATOM 696 CB SER A 54 -5.909 5.250 -7.257 1.00 0.00 C ATOM 697 OG SER A 54 -5.640 5.014 -8.632 1.00 0.00 O ATOM 0 H SER A 54 -5.296 2.977 -8.188 1.00 0.00 H new ATOM 0 HA SER A 54 -5.618 4.069 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.827 5.830 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.106 5.847 -6.824 1.00 0.00 H new ATOM 0 HG SER A 54 -5.559 5.871 -9.101 1.00 0.00 H new ATOM 703 N VAL A 55 -7.879 3.081 -5.160 1.00 0.00 N ATOM 704 CA VAL A 55 -9.247 2.670 -4.909 1.00 0.00 C ATOM 705 C VAL A 55 -10.013 3.735 -4.132 1.00 0.00 C ATOM 706 O VAL A 55 -9.550 4.242 -3.110 1.00 0.00 O ATOM 707 CB VAL A 55 -9.307 1.321 -4.159 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.532 1.378 -2.850 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.748 0.903 -3.917 1.00 0.00 C ATOM 0 H VAL A 55 -7.249 2.968 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.723 2.542 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.834 0.569 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.595 0.413 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.488 1.613 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.958 2.149 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.766 -0.050 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.251 1.661 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.261 0.797 -4.873 1.00 0.00 H new ATOM 719 N THR A 56 -11.175 4.089 -4.642 1.00 0.00 N ATOM 720 CA THR A 56 -12.011 5.079 -4.001 1.00 0.00 C ATOM 721 C THR A 56 -13.144 4.378 -3.252 1.00 0.00 C ATOM 722 O THR A 56 -13.581 3.292 -3.647 1.00 0.00 O ATOM 723 CB THR A 56 -12.564 6.091 -5.041 1.00 0.00 C ATOM 724 OG1 THR A 56 -12.785 7.367 -4.431 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.862 5.603 -5.676 1.00 0.00 C ATOM 0 H THR A 56 -11.562 3.703 -5.503 1.00 0.00 H new ATOM 0 HA THR A 56 -11.414 5.644 -3.285 1.00 0.00 H new ATOM 0 HB THR A 56 -11.814 6.184 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.683 7.287 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.214 6.341 -6.397 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.685 4.655 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.616 5.464 -4.901 1.00 0.00 H new ATOM 733 N ALA A 57 -13.585 4.969 -2.153 1.00 0.00 N ATOM 734 CA ALA A 57 -14.658 4.389 -1.360 1.00 0.00 C ATOM 735 C ALA A 57 -15.990 4.523 -2.079 1.00 0.00 C ATOM 736 O ALA A 57 -16.277 5.554 -2.689 1.00 0.00 O ATOM 737 CB ALA A 57 -14.727 5.041 0.011 1.00 0.00 C ATOM 0 H ALA A 57 -13.218 5.849 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.444 3.329 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.536 4.592 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.782 4.890 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.912 6.109 -0.103 1.00 0.00 H new ATOM 743 N ASP A 58 -16.792 3.473 -2.024 1.00 0.00 N ATOM 744 CA ASP A 58 -18.098 3.474 -2.672 1.00 0.00 C ATOM 745 C ASP A 58 -19.118 4.244 -1.834 1.00 0.00 C ATOM 746 O ASP A 58 -18.777 4.827 -0.802 1.00 0.00 O ATOM 747 CB ASP A 58 -18.592 2.041 -2.927 1.00 0.00 C ATOM 748 CG ASP A 58 -18.526 1.146 -1.701 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.821 1.625 -0.590 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.182 -0.046 -1.847 1.00 0.00 O ATOM 0 H ASP A 58 -16.563 2.606 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.990 3.974 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.621 2.079 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.995 1.596 -3.723 1.00 0.00 H new ATOM 755 N ALA A 59 -20.372 4.235 -2.281 1.00 0.00 N ATOM 756 CA ALA A 59 -21.449 4.933 -1.582 1.00 0.00 C ATOM 757 C ALA A 59 -21.773 4.271 -0.245 1.00 0.00 C ATOM 758 O ALA A 59 -22.442 4.863 0.602 1.00 0.00 O ATOM 759 CB ALA A 59 -22.695 4.990 -2.453 1.00 0.00 C ATOM 0 H ALA A 59 -20.668 3.750 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.107 5.948 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.489 5.513 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.469 5.521 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.022 3.977 -2.687 1.00 0.00 H new ATOM 765 N ASN A 60 -21.295 3.049 -0.060 1.00 0.00 N ATOM 766 CA ASN A 60 -21.538 2.313 1.172 1.00 0.00 C ATOM 767 C ASN A 60 -20.510 2.715 2.217 1.00 0.00 C ATOM 768 O ASN A 60 -20.833 2.913 3.390 1.00 0.00 O ATOM 769 CB ASN A 60 -21.455 0.799 0.935 1.00 0.00 C ATOM 770 CG ASN A 60 -22.111 0.348 -0.362 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.135 0.887 -0.782 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.517 -0.644 -1.010 1.00 0.00 N ATOM 0 H ASN A 60 -20.736 2.546 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.541 2.555 1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.407 0.498 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.928 0.283 1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.907 -0.986 -1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.669 -1.066 -0.630 1.00 0.00 H new ATOM 779 N GLY A 61 -19.270 2.848 1.768 1.00 0.00 N ATOM 780 CA GLY A 61 -18.184 3.221 2.648 1.00 0.00 C ATOM 781 C GLY A 61 -17.085 2.180 2.652 1.00 0.00 C ATOM 782 O GLY A 61 -16.284 2.108 3.587 1.00 0.00 O ATOM 0 H GLY A 61 -18.996 2.702 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.775 4.181 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.565 3.352 3.661 1.00 0.00 H new ATOM 786 N SER A 62 -17.048 1.378 1.597 1.00 0.00 N ATOM 787 CA SER A 62 -16.054 0.327 1.470 1.00 0.00 C ATOM 788 C SER A 62 -15.136 0.576 0.274 1.00 0.00 C ATOM 789 O SER A 62 -15.488 1.312 -0.652 1.00 0.00 O ATOM 790 CB SER A 62 -16.757 -1.023 1.338 1.00 0.00 C ATOM 791 OG SER A 62 -18.076 -0.862 0.832 1.00 0.00 O ATOM 0 H SER A 62 -17.699 1.438 0.814 1.00 0.00 H new ATOM 0 HA SER A 62 -15.431 0.323 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.185 -1.672 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.794 -1.515 2.310 1.00 0.00 H new ATOM 0 HG SER A 62 -18.040 -0.733 -0.139 1.00 0.00 H new ATOM 797 N ALA A 63 -13.952 -0.021 0.314 1.00 0.00 N ATOM 798 CA ALA A 63 -12.980 0.122 -0.758 1.00 0.00 C ATOM 799 C ALA A 63 -12.196 -1.173 -0.943 1.00 0.00 C ATOM 800 O ALA A 63 -11.412 -1.559 -0.076 1.00 0.00 O ATOM 801 CB ALA A 63 -12.036 1.280 -0.460 1.00 0.00 C ATOM 0 H ALA A 63 -13.642 -0.613 1.084 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.512 0.336 -1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.313 1.377 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.609 2.203 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.510 1.089 0.475 1.00 0.00 H new ATOM 807 N SER A 64 -12.423 -1.850 -2.060 1.00 0.00 N ATOM 808 CA SER A 64 -11.730 -3.100 -2.344 1.00 0.00 C ATOM 809 C SER A 64 -10.790 -2.927 -3.535 1.00 0.00 C ATOM 810 O SER A 64 -11.139 -2.278 -4.525 1.00 0.00 O ATOM 811 CB SER A 64 -12.746 -4.213 -2.618 1.00 0.00 C ATOM 812 OG SER A 64 -12.178 -5.493 -2.398 1.00 0.00 O ATOM 0 H SER A 64 -13.080 -1.556 -2.783 1.00 0.00 H new ATOM 0 HA SER A 64 -11.134 -3.378 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.615 -4.082 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.099 -4.141 -3.647 1.00 0.00 H new ATOM 0 HG SER A 64 -12.849 -6.184 -2.579 1.00 0.00 H new ATOM 818 N THR A 65 -9.594 -3.487 -3.433 1.00 0.00 N ATOM 819 CA THR A 65 -8.615 -3.382 -4.500 1.00 0.00 C ATOM 820 C THR A 65 -7.630 -4.553 -4.463 1.00 0.00 C ATOM 821 O THR A 65 -7.608 -5.337 -3.508 1.00 0.00 O ATOM 822 CB THR A 65 -7.852 -2.040 -4.407 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.128 -1.795 -5.617 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.895 -2.024 -3.222 1.00 0.00 C ATOM 0 H THR A 65 -9.280 -4.019 -2.621 1.00 0.00 H new ATOM 0 HA THR A 65 -9.151 -3.417 -5.449 1.00 0.00 H new ATOM 0 HB THR A 65 -8.589 -1.251 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.921 -0.840 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.375 -1.066 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.457 -2.166 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.167 -2.828 -3.331 1.00 0.00 H new ATOM 832 N SER A 66 -6.838 -4.674 -5.517 1.00 0.00 N ATOM 833 CA SER A 66 -5.848 -5.729 -5.629 1.00 0.00 C ATOM 834 C SER A 66 -4.477 -5.128 -5.924 1.00 0.00 C ATOM 835 O SER A 66 -4.328 -4.332 -6.854 1.00 0.00 O ATOM 836 CB SER A 66 -6.255 -6.691 -6.740 1.00 0.00 C ATOM 837 OG SER A 66 -7.587 -7.138 -6.555 1.00 0.00 O ATOM 0 H SER A 66 -6.865 -4.043 -6.318 1.00 0.00 H new ATOM 0 HA SER A 66 -5.792 -6.275 -4.687 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.163 -6.197 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.578 -7.545 -6.754 1.00 0.00 H new ATOM 0 HG SER A 66 -7.829 -7.753 -7.279 1.00 0.00 H new ATOM 843 N LEU A 67 -3.484 -5.493 -5.126 1.00 0.00 N ATOM 844 CA LEU A 67 -2.135 -4.974 -5.311 1.00 0.00 C ATOM 845 C LEU A 67 -1.159 -6.077 -5.707 1.00 0.00 C ATOM 846 O LEU A 67 -1.117 -7.131 -5.074 1.00 0.00 O ATOM 847 CB LEU A 67 -1.647 -4.293 -4.028 1.00 0.00 C ATOM 848 CG LEU A 67 -1.849 -2.777 -3.964 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.141 -2.093 -5.120 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.328 -2.424 -3.964 1.00 0.00 C ATOM 0 H LEU A 67 -3.585 -6.144 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.173 -4.245 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.161 -4.746 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.585 -4.505 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.414 -2.419 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.297 -1.016 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.074 -2.309 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.544 -2.463 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.444 -1.341 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.792 -2.800 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.810 -2.877 -3.098 1.00 0.00 H new ATOM 862 N THR A 68 -0.384 -5.833 -6.754 1.00 0.00 N ATOM 863 CA THR A 68 0.605 -6.798 -7.209 1.00 0.00 C ATOM 864 C THR A 68 1.948 -6.504 -6.558 1.00 0.00 C ATOM 865 O THR A 68 2.569 -5.480 -6.843 1.00 0.00 O ATOM 866 CB THR A 68 0.764 -6.752 -8.737 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.515 -6.567 -9.353 1.00 0.00 O ATOM 868 CG2 THR A 68 1.399 -8.032 -9.255 1.00 0.00 C ATOM 0 H THR A 68 -0.421 -4.975 -7.304 1.00 0.00 H new ATOM 0 HA THR A 68 0.261 -7.793 -6.925 1.00 0.00 H new ATOM 0 HB THR A 68 1.416 -5.915 -8.988 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.408 -6.537 -10.327 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.501 -7.975 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.383 -8.158 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.769 -8.882 -8.994 1.00 0.00 H new ATOM 876 N VAL A 69 2.391 -7.392 -5.683 1.00 0.00 N ATOM 877 CA VAL A 69 3.653 -7.194 -4.989 1.00 0.00 C ATOM 878 C VAL A 69 4.835 -7.717 -5.809 1.00 0.00 C ATOM 879 O VAL A 69 4.900 -8.898 -6.159 1.00 0.00 O ATOM 880 CB VAL A 69 3.645 -7.842 -3.580 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.334 -9.332 -3.648 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.968 -7.603 -2.871 1.00 0.00 C ATOM 0 H VAL A 69 1.899 -8.251 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 69 3.774 -6.118 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 69 2.851 -7.366 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.337 -9.751 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.352 -9.479 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.089 -9.834 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.941 -8.066 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.778 -8.040 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.135 -6.531 -2.764 1.00 0.00 H new ATOM 892 N ARG A 70 5.750 -6.817 -6.132 1.00 0.00 N ATOM 893 CA ARG A 70 6.949 -7.151 -6.889 1.00 0.00 C ATOM 894 C ARG A 70 8.113 -7.351 -5.928 1.00 0.00 C ATOM 895 O ARG A 70 8.002 -7.042 -4.740 1.00 0.00 O ATOM 896 CB ARG A 70 7.292 -6.021 -7.866 1.00 0.00 C ATOM 897 CG ARG A 70 6.140 -5.595 -8.759 1.00 0.00 C ATOM 898 CD ARG A 70 5.783 -6.682 -9.754 1.00 0.00 C ATOM 899 NE ARG A 70 4.796 -6.219 -10.727 1.00 0.00 N ATOM 900 CZ ARG A 70 4.116 -7.023 -11.536 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.312 -8.340 -11.488 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.236 -6.515 -12.391 1.00 0.00 N ATOM 0 H ARG A 70 5.683 -5.832 -5.877 1.00 0.00 H new ATOM 0 HA ARG A 70 6.768 -8.067 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.634 -5.156 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.124 -6.339 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.270 -5.360 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.409 -4.684 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.683 -7.008 -10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.391 -7.549 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 70 4.618 -5.216 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.985 -8.732 -10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.789 -8.956 -12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.082 -5.507 -12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.714 -7.133 -13.012 1.00 0.00 H new ATOM 916 N ARG A 71 9.226 -7.851 -6.436 1.00 0.00 N ATOM 917 CA ARG A 71 10.401 -8.057 -5.606 1.00 0.00 C ATOM 918 C ARG A 71 11.234 -6.779 -5.572 1.00 0.00 C ATOM 919 O ARG A 71 11.967 -6.520 -4.620 1.00 0.00 O ATOM 920 CB ARG A 71 11.235 -9.223 -6.132 1.00 0.00 C ATOM 921 CG ARG A 71 12.112 -9.865 -5.074 1.00 0.00 C ATOM 922 CD ARG A 71 11.295 -10.720 -4.114 1.00 0.00 C ATOM 923 NE ARG A 71 10.821 -11.947 -4.749 1.00 0.00 N ATOM 924 CZ ARG A 71 10.788 -13.136 -4.151 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.157 -13.266 -2.881 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.372 -14.196 -4.824 1.00 0.00 N ATOM 0 H ARG A 71 9.341 -8.121 -7.413 1.00 0.00 H new ATOM 0 HA ARG A 71 10.080 -8.301 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.568 -9.978 -6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.864 -8.870 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.872 -10.481 -5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.637 -9.090 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.903 -10.972 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.442 -10.146 -3.751 1.00 0.00 H new ATOM 0 HE ARG A 71 10.494 -11.889 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.469 -12.450 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.128 -14.182 -2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.079 -14.100 -5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.345 -15.109 -4.371 1.00 0.00 H new ATOM 940 N SER A 72 11.115 -5.984 -6.623 1.00 0.00 N ATOM 941 CA SER A 72 11.825 -4.720 -6.723 1.00 0.00 C ATOM 942 C SER A 72 10.881 -3.660 -7.283 1.00 0.00 C ATOM 943 O SER A 72 10.150 -3.925 -8.242 1.00 0.00 O ATOM 944 CB SER A 72 13.056 -4.869 -7.621 1.00 0.00 C ATOM 945 OG SER A 72 13.727 -6.101 -7.387 1.00 0.00 O ATOM 0 H SER A 72 10.526 -6.196 -7.428 1.00 0.00 H new ATOM 0 HA SER A 72 12.164 -4.415 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.754 -4.811 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.741 -4.041 -7.441 1.00 0.00 H new ATOM 0 HG SER A 72 14.404 -5.977 -6.690 1.00 0.00 H new ATOM 951 N PHE A 73 10.882 -2.474 -6.685 1.00 0.00 N ATOM 952 CA PHE A 73 10.000 -1.395 -7.121 1.00 0.00 C ATOM 953 C PHE A 73 10.597 -0.023 -6.831 1.00 0.00 C ATOM 954 O PHE A 73 11.624 0.095 -6.160 1.00 0.00 O ATOM 955 CB PHE A 73 8.642 -1.523 -6.420 1.00 0.00 C ATOM 956 CG PHE A 73 8.717 -1.381 -4.918 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.140 -2.435 -4.126 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.355 -0.193 -4.303 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.202 -2.308 -2.753 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.417 -0.060 -2.931 1.00 0.00 C ATOM 961 CZ PHE A 73 8.841 -1.116 -2.152 1.00 0.00 C ATOM 0 H PHE A 73 11.483 -2.234 -5.897 1.00 0.00 H new ATOM 0 HA PHE A 73 9.874 -1.484 -8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.967 -0.764 -6.814 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.208 -2.493 -6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.425 -3.368 -4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.020 0.639 -4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.532 -3.139 -2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.133 0.873 -2.466 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.891 -1.013 -1.078 1.00 0.00 H new ATOM 971 N GLU A 74 9.943 1.011 -7.337 1.00 0.00 N ATOM 972 CA GLU A 74 10.384 2.377 -7.119 1.00 0.00 C ATOM 973 C GLU A 74 9.728 2.922 -5.855 1.00 0.00 C ATOM 974 O GLU A 74 8.511 2.848 -5.702 1.00 0.00 O ATOM 975 CB GLU A 74 10.024 3.272 -8.312 1.00 0.00 C ATOM 976 CG GLU A 74 9.921 2.539 -9.642 1.00 0.00 C ATOM 977 CD GLU A 74 8.507 2.085 -9.949 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.061 1.072 -9.364 1.00 0.00 O ATOM 979 OE2 GLU A 74 7.837 2.735 -10.782 1.00 0.00 O ATOM 0 H GLU A 74 9.100 0.927 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 74 11.468 2.377 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.073 3.763 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.775 4.057 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.270 3.193 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.582 1.672 -9.627 1.00 0.00 H new ATOM 986 N GLY A 75 10.537 3.446 -4.946 1.00 0.00 N ATOM 987 CA GLY A 75 10.012 3.983 -3.708 1.00 0.00 C ATOM 988 C GLY A 75 9.575 5.421 -3.855 1.00 0.00 C ATOM 989 O GLY A 75 10.399 6.305 -4.114 1.00 0.00 O ATOM 0 H GLY A 75 11.550 3.509 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.166 3.379 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.773 3.913 -2.931 1.00 0.00 H new ATOM 993 N PHE A 76 8.285 5.668 -3.667 1.00 0.00 N ATOM 994 CA PHE A 76 7.745 7.007 -3.800 1.00 0.00 C ATOM 995 C PHE A 76 6.971 7.400 -2.555 1.00 0.00 C ATOM 996 O PHE A 76 6.354 6.556 -1.901 1.00 0.00 O ATOM 997 CB PHE A 76 6.827 7.093 -5.021 1.00 0.00 C ATOM 998 CG PHE A 76 7.533 7.421 -6.306 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.521 6.590 -6.806 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.196 8.560 -7.021 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.161 6.889 -7.993 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.830 8.860 -8.207 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.815 8.025 -8.694 1.00 0.00 C ATOM 0 H PHE A 76 7.597 4.956 -3.422 1.00 0.00 H new ATOM 0 HA PHE A 76 8.580 7.696 -3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.308 6.142 -5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.066 7.850 -4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.794 5.698 -6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.428 9.219 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.932 6.234 -8.372 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.556 9.749 -8.756 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.314 8.261 -9.622 1.00 0.00 H new ATOM 1013 N LEU A 77 7.014 8.683 -2.230 1.00 0.00 N ATOM 1014 CA LEU A 77 6.300 9.202 -1.074 1.00 0.00 C ATOM 1015 C LEU A 77 4.863 9.530 -1.473 1.00 0.00 C ATOM 1016 O LEU A 77 4.512 9.451 -2.650 1.00 0.00 O ATOM 1017 CB LEU A 77 7.002 10.452 -0.525 1.00 0.00 C ATOM 1018 CG LEU A 77 8.488 10.287 -0.197 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.039 11.564 0.417 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.708 9.101 0.735 1.00 0.00 C ATOM 0 H LEU A 77 7.537 9.386 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 77 6.292 8.446 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.896 11.255 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.482 10.771 0.378 1.00 0.00 H new ATOM 0 HG LEU A 77 9.025 10.090 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.097 11.431 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.920 12.387 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.496 11.790 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.771 9.003 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.159 9.261 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.351 8.190 0.255 1.00 0.00 H new ATOM 1032 N PHE A 78 4.041 9.918 -0.508 1.00 0.00 N ATOM 1033 CA PHE A 78 2.641 10.237 -0.783 1.00 0.00 C ATOM 1034 C PHE A 78 2.491 11.642 -1.358 1.00 0.00 C ATOM 1035 O PHE A 78 1.384 12.080 -1.684 1.00 0.00 O ATOM 1036 CB PHE A 78 1.800 10.087 0.487 1.00 0.00 C ATOM 1037 CG PHE A 78 0.930 8.861 0.480 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.479 7.605 0.680 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.435 8.964 0.264 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.685 6.474 0.667 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.234 7.836 0.245 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.672 6.590 0.447 1.00 0.00 C ATOM 0 H PHE A 78 4.315 10.020 0.469 1.00 0.00 H new ATOM 0 HA PHE A 78 2.279 9.531 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.463 10.049 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.172 10.970 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.541 7.508 0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.879 9.936 0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.126 5.501 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.296 7.929 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.295 5.708 0.433 1.00 0.00 H new ATOM 1052 N ASP A 79 3.605 12.344 -1.482 1.00 0.00 N ATOM 1053 CA ASP A 79 3.599 13.695 -2.022 1.00 0.00 C ATOM 1054 C ASP A 79 4.022 13.699 -3.492 1.00 0.00 C ATOM 1055 O ASP A 79 3.719 14.635 -4.231 1.00 0.00 O ATOM 1056 CB ASP A 79 4.514 14.605 -1.198 1.00 0.00 C ATOM 1057 CG ASP A 79 5.961 14.567 -1.649 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.518 13.464 -1.823 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.554 15.649 -1.828 1.00 0.00 O ATOM 0 H ASP A 79 4.528 12.000 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 79 2.581 14.079 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.148 15.630 -1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.459 14.311 -0.150 1.00 0.00 H new ATOM 1064 N GLY A 80 4.721 12.648 -3.914 1.00 0.00 N ATOM 1065 CA GLY A 80 5.166 12.557 -5.291 1.00 0.00 C ATOM 1066 C GLY A 80 6.679 12.483 -5.417 1.00 0.00 C ATOM 1067 O GLY A 80 7.203 12.217 -6.499 1.00 0.00 O ATOM 0 H GLY A 80 4.986 11.858 -3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.724 11.675 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.802 13.423 -5.844 1.00 0.00 H new ATOM 1071 N THR A 81 7.385 12.718 -4.316 1.00 0.00 N ATOM 1072 CA THR A 81 8.842 12.677 -4.322 1.00 0.00 C ATOM 1073 C THR A 81 9.353 11.238 -4.370 1.00 0.00 C ATOM 1074 O THR A 81 8.792 10.343 -3.732 1.00 0.00 O ATOM 1075 CB THR A 81 9.424 13.386 -3.080 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.827 14.681 -2.939 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.934 13.542 -3.188 1.00 0.00 C ATOM 0 H THR A 81 6.972 12.938 -3.410 1.00 0.00 H new ATOM 0 HA THR A 81 9.174 13.201 -5.218 1.00 0.00 H new ATOM 0 HB THR A 81 9.201 12.772 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.197 15.128 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.312 14.045 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.396 12.559 -3.273 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.176 14.135 -4.070 1.00 0.00 H new ATOM 1085 N ARG A 82 10.409 11.018 -5.143 1.00 0.00 N ATOM 1086 CA ARG A 82 11.003 9.695 -5.270 1.00 0.00 C ATOM 1087 C ARG A 82 12.278 9.597 -4.437 1.00 0.00 C ATOM 1088 O ARG A 82 13.112 10.506 -4.450 1.00 0.00 O ATOM 1089 CB ARG A 82 11.304 9.376 -6.739 1.00 0.00 C ATOM 1090 CG ARG A 82 12.276 10.342 -7.408 1.00 0.00 C ATOM 1091 CD ARG A 82 11.848 10.663 -8.832 1.00 0.00 C ATOM 1092 NE ARG A 82 10.639 11.481 -8.874 1.00 0.00 N ATOM 1093 CZ ARG A 82 9.674 11.342 -9.784 1.00 0.00 C ATOM 1094 NH1 ARG A 82 9.785 10.440 -10.751 1.00 0.00 N ATOM 1095 NH2 ARG A 82 8.603 12.118 -9.727 1.00 0.00 N ATOM 0 H ARG A 82 10.872 11.742 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 82 10.286 8.964 -4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.712 8.367 -6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.368 9.377 -7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.334 11.263 -6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.276 9.907 -7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.656 11.186 -9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.675 9.734 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 82 10.526 12.204 -8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.613 9.847 -10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.042 10.340 -11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.519 12.818 -8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.862 12.016 -10.420 1.00 0.00 H new ATOM 1109 N TRP A 83 12.422 8.501 -3.711 1.00 0.00 N ATOM 1110 CA TRP A 83 13.593 8.297 -2.873 1.00 0.00 C ATOM 1111 C TRP A 83 14.621 7.438 -3.598 1.00 0.00 C ATOM 1112 O TRP A 83 15.828 7.635 -3.458 1.00 0.00 O ATOM 1113 CB TRP A 83 13.194 7.635 -1.550 1.00 0.00 C ATOM 1114 CG TRP A 83 14.078 8.009 -0.402 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.354 7.579 -0.171 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.751 8.890 0.677 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.839 8.140 0.984 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.872 8.947 1.524 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.617 9.638 1.006 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.892 9.722 2.680 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.637 10.404 2.154 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.767 10.443 2.978 1.00 0.00 C ATOM 0 H TRP A 83 11.744 7.739 -3.684 1.00 0.00 H new ATOM 0 HA TRP A 83 14.037 9.269 -2.659 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.167 7.910 -1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.213 6.552 -1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.901 6.897 -0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.767 7.982 1.376 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.742 9.617 0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.763 9.753 3.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.765 10.983 2.421 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.751 11.055 3.868 1.00 0.00 H new ATOM 1133 N GLY A 84 14.132 6.487 -4.379 1.00 0.00 N ATOM 1134 CA GLY A 84 15.010 5.604 -5.115 1.00 0.00 C ATOM 1135 C GLY A 84 14.361 4.262 -5.367 1.00 0.00 C ATOM 1136 O GLY A 84 13.141 4.137 -5.282 1.00 0.00 O ATOM 0 H GLY A 84 13.137 6.311 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.277 6.065 -6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.936 5.463 -4.558 1.00 0.00 H new ATOM 1140 N THR A 85 15.167 3.258 -5.662 1.00 0.00 N ATOM 1141 CA THR A 85 14.648 1.927 -5.923 1.00 0.00 C ATOM 1142 C THR A 85 14.710 1.068 -4.662 1.00 0.00 C ATOM 1143 O THR A 85 15.762 0.943 -4.031 1.00 0.00 O ATOM 1144 CB THR A 85 15.429 1.240 -7.060 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.691 2.186 -8.103 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.646 0.067 -7.631 1.00 0.00 C ATOM 0 H THR A 85 16.182 3.338 -5.727 1.00 0.00 H new ATOM 0 HA THR A 85 13.608 2.033 -6.231 1.00 0.00 H new ATOM 0 HB THR A 85 16.367 0.865 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.189 1.748 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.221 -0.399 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.461 -0.664 -6.844 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.695 0.423 -8.027 1.00 0.00 H new ATOM 1154 N VAL A 86 13.575 0.495 -4.291 1.00 0.00 N ATOM 1155 CA VAL A 86 13.491 -0.347 -3.111 1.00 0.00 C ATOM 1156 C VAL A 86 13.398 -1.810 -3.527 1.00 0.00 C ATOM 1157 O VAL A 86 12.676 -2.152 -4.469 1.00 0.00 O ATOM 1158 CB VAL A 86 12.273 0.021 -2.239 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.349 -0.673 -0.889 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.168 1.528 -2.056 1.00 0.00 C ATOM 0 H VAL A 86 12.695 0.600 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 86 14.392 -0.186 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 86 11.376 -0.322 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.480 -0.400 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.363 -1.753 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.258 -0.365 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.301 1.760 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.070 1.899 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.058 2.006 -3.029 1.00 0.00 H new ATOM 1170 N ASP A 87 14.130 -2.669 -2.840 1.00 0.00 N ATOM 1171 CA ASP A 87 14.130 -4.085 -3.158 1.00 0.00 C ATOM 1172 C ASP A 87 13.738 -4.915 -1.940 1.00 0.00 C ATOM 1173 O ASP A 87 14.085 -4.574 -0.807 1.00 0.00 O ATOM 1174 CB ASP A 87 15.508 -4.505 -3.670 1.00 0.00 C ATOM 1175 CG ASP A 87 15.567 -5.968 -4.052 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.176 -6.313 -5.185 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.017 -6.784 -3.222 1.00 0.00 O ATOM 0 H ASP A 87 14.732 -2.410 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 87 13.392 -4.265 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.771 -3.897 -4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.254 -4.304 -2.901 1.00 0.00 H new ATOM 1182 N CYS A 88 13.001 -5.992 -2.183 1.00 0.00 N ATOM 1183 CA CYS A 88 12.551 -6.881 -1.118 1.00 0.00 C ATOM 1184 C CYS A 88 12.974 -8.324 -1.396 1.00 0.00 C ATOM 1185 O CYS A 88 12.253 -9.264 -1.062 1.00 0.00 O ATOM 1186 CB CYS A 88 11.025 -6.814 -0.967 1.00 0.00 C ATOM 1187 SG CYS A 88 10.416 -5.406 0.022 1.00 0.00 S ATOM 0 H CYS A 88 12.700 -6.273 -3.116 1.00 0.00 H new ATOM 0 HA CYS A 88 13.017 -6.550 -0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.577 -6.763 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.678 -7.740 -0.508 1.00 0.00 H new ATOM 1192 N THR A 89 14.140 -8.501 -2.006 1.00 0.00 N ATOM 1193 CA THR A 89 14.641 -9.835 -2.315 1.00 0.00 C ATOM 1194 C THR A 89 15.153 -10.518 -1.049 1.00 0.00 C ATOM 1195 O THR A 89 14.953 -11.714 -0.847 1.00 0.00 O ATOM 1196 CB THR A 89 15.756 -9.783 -3.377 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.294 -9.060 -4.527 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.185 -11.182 -3.795 1.00 0.00 C ATOM 0 H THR A 89 14.755 -7.740 -2.296 1.00 0.00 H new ATOM 0 HA THR A 89 13.813 -10.415 -2.722 1.00 0.00 H new ATOM 0 HB THR A 89 16.617 -9.277 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.005 -9.027 -5.200 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.973 -11.112 -4.545 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.559 -11.723 -2.926 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.331 -11.714 -4.214 1.00 0.00 H new ATOM 1206 N THR A 90 15.809 -9.747 -0.198 1.00 0.00 N ATOM 1207 CA THR A 90 16.320 -10.260 1.059 1.00 0.00 C ATOM 1208 C THR A 90 15.596 -9.577 2.217 1.00 0.00 C ATOM 1209 O THR A 90 15.672 -10.010 3.370 1.00 0.00 O ATOM 1210 CB THR A 90 17.852 -10.063 1.183 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.364 -10.851 2.260 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.217 -8.601 1.402 1.00 0.00 C ATOM 0 H THR A 90 16.000 -8.758 -0.358 1.00 0.00 H new ATOM 0 HA THR A 90 16.132 -11.333 1.092 1.00 0.00 H new ATOM 0 HB THR A 90 18.301 -10.387 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.781 -10.754 3.042 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.300 -8.505 1.484 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.863 -8.007 0.559 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.750 -8.243 2.320 1.00 0.00 H new ATOM 1220 N ALA A 91 14.868 -8.518 1.887 1.00 0.00 N ATOM 1221 CA ALA A 91 14.111 -7.760 2.871 1.00 0.00 C ATOM 1222 C ALA A 91 12.643 -8.174 2.860 1.00 0.00 C ATOM 1223 O ALA A 91 12.265 -9.141 2.194 1.00 0.00 O ATOM 1224 CB ALA A 91 14.241 -6.272 2.590 1.00 0.00 C ATOM 0 H ALA A 91 14.787 -8.163 0.934 1.00 0.00 H new ATOM 0 HA ALA A 91 14.517 -7.972 3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.672 -5.711 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.290 -5.982 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.854 -6.055 1.594 1.00 0.00 H new ATOM 1230 N ALA A 92 11.821 -7.440 3.594 1.00 0.00 N ATOM 1231 CA ALA A 92 10.397 -7.722 3.662 1.00 0.00 C ATOM 1232 C ALA A 92 9.596 -6.481 3.299 1.00 0.00 C ATOM 1233 O ALA A 92 9.850 -5.393 3.819 1.00 0.00 O ATOM 1234 CB ALA A 92 10.009 -8.226 5.046 1.00 0.00 C ATOM 0 H ALA A 92 12.118 -6.641 4.153 1.00 0.00 H new ATOM 0 HA ALA A 92 10.167 -8.507 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.939 -8.430 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.558 -9.141 5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.252 -7.468 5.791 1.00 0.00 H new ATOM 1240 N CYS A 93 8.646 -6.648 2.398 1.00 0.00 N ATOM 1241 CA CYS A 93 7.805 -5.545 1.962 1.00 0.00 C ATOM 1242 C CYS A 93 6.569 -5.459 2.853 1.00 0.00 C ATOM 1243 O CYS A 93 6.310 -6.358 3.646 1.00 0.00 O ATOM 1244 CB CYS A 93 7.393 -5.733 0.496 1.00 0.00 C ATOM 1245 SG CYS A 93 8.561 -5.041 -0.730 1.00 0.00 S ATOM 0 H CYS A 93 8.436 -7.540 1.951 1.00 0.00 H new ATOM 0 HA CYS A 93 8.368 -4.615 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.275 -6.799 0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.417 -5.271 0.346 1.00 0.00 H new ATOM 1250 N GLN A 94 5.823 -4.373 2.749 1.00 0.00 N ATOM 1251 CA GLN A 94 4.617 -4.200 3.547 1.00 0.00 C ATOM 1252 C GLN A 94 3.523 -3.533 2.725 1.00 0.00 C ATOM 1253 O GLN A 94 3.801 -2.761 1.807 1.00 0.00 O ATOM 1254 CB GLN A 94 4.906 -3.387 4.821 1.00 0.00 C ATOM 1255 CG GLN A 94 5.858 -2.218 4.616 1.00 0.00 C ATOM 1256 CD GLN A 94 7.212 -2.439 5.272 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.878 -1.490 5.673 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.633 -3.692 5.384 1.00 0.00 N ATOM 0 H GLN A 94 6.029 -3.597 2.120 1.00 0.00 H new ATOM 0 HA GLN A 94 4.271 -5.188 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.964 -3.008 5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.324 -4.053 5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.999 -2.053 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.407 -1.312 5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.053 -4.457 5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.536 -3.890 5.814 1.00 0.00 H new ATOM 1267 N VAL A 95 2.280 -3.848 3.046 1.00 0.00 N ATOM 1268 CA VAL A 95 1.141 -3.281 2.343 1.00 0.00 C ATOM 1269 C VAL A 95 0.838 -1.891 2.882 1.00 0.00 C ATOM 1270 O VAL A 95 0.456 -1.740 4.045 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.113 -4.169 2.494 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.260 -3.637 1.643 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.203 -5.615 2.132 1.00 0.00 C ATOM 0 H VAL A 95 2.033 -4.497 3.793 1.00 0.00 H new ATOM 0 HA VAL A 95 1.398 -3.223 1.285 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.425 -4.140 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.132 -4.279 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.508 -2.624 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.961 -3.627 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.695 -6.223 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.547 -5.665 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.983 -5.993 2.792 1.00 0.00 H new ATOM 1283 N GLY A 96 1.019 -0.881 2.046 1.00 0.00 N ATOM 1284 CA GLY A 96 0.766 0.476 2.467 1.00 0.00 C ATOM 1285 C GLY A 96 -0.559 0.991 1.966 1.00 0.00 C ATOM 1286 O GLY A 96 -0.802 1.039 0.762 1.00 0.00 O ATOM 0 H GLY A 96 1.337 -0.979 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.785 0.526 3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.565 1.122 2.104 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.418 1.371 2.897 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.736 1.879 2.564 1.00 0.00 C ATOM 1292 C LEU A 97 -3.019 3.160 3.336 1.00 0.00 C ATOM 1293 O LEU A 97 -3.015 3.168 4.567 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.809 0.821 2.864 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.360 -0.327 3.774 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.532 0.041 5.240 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.128 -1.598 3.455 1.00 0.00 C ATOM 0 H LEU A 97 -1.223 1.336 3.897 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.763 2.104 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.664 1.315 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.155 0.400 1.920 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.301 -0.506 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.206 -0.791 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.932 0.922 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.582 0.256 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.793 -2.400 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.194 -1.426 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.949 -1.881 2.418 1.00 0.00 H new ATOM 1309 N SER A 98 -3.229 4.247 2.614 1.00 0.00 N ATOM 1310 CA SER A 98 -3.523 5.526 3.239 1.00 0.00 C ATOM 1311 C SER A 98 -4.413 6.376 2.337 1.00 0.00 C ATOM 1312 O SER A 98 -4.427 6.203 1.119 1.00 0.00 O ATOM 1313 CB SER A 98 -2.226 6.278 3.560 1.00 0.00 C ATOM 1314 OG SER A 98 -1.425 5.557 4.484 1.00 0.00 O ATOM 0 H SER A 98 -3.202 4.270 1.595 1.00 0.00 H new ATOM 0 HA SER A 98 -4.056 5.334 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.664 6.445 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.464 7.259 3.971 1.00 0.00 H new ATOM 0 HG SER A 98 -0.604 6.060 4.668 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.163 7.281 2.946 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.051 8.164 2.208 1.00 0.00 C ATOM 1322 C ASP A 99 -5.277 9.369 1.676 1.00 0.00 C ATOM 1323 O ASP A 99 -4.056 9.439 1.814 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.205 8.615 3.112 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.877 9.854 3.918 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.056 9.769 4.855 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.430 10.927 3.608 1.00 0.00 O ATOM 0 H ASP A 99 -5.174 7.423 3.956 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.466 7.624 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.085 8.810 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.464 7.804 3.792 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.992 10.317 1.080 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.380 11.524 0.531 1.00 0.00 C ATOM 1334 C ALA A 100 -4.647 12.326 1.608 1.00 0.00 C ATOM 1335 O ALA A 100 -3.698 13.054 1.316 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.438 12.385 -0.137 1.00 0.00 C ATOM 0 H ALA A 100 -7.004 10.273 0.964 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.642 11.217 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.973 13.283 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.908 11.823 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.193 12.668 0.596 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.088 12.193 2.853 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.467 12.896 3.969 1.00 0.00 C ATOM 1344 C ALA A 101 -3.295 12.095 4.531 1.00 0.00 C ATOM 1345 O ALA A 101 -2.627 12.529 5.469 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.491 13.171 5.061 1.00 0.00 C ATOM 0 H ALA A 101 -5.877 11.602 3.116 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.085 13.848 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.011 13.696 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.296 13.786 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.901 12.228 5.421 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.059 10.922 3.958 1.00 0.00 N ATOM 1353 CA GLY A 102 -1.971 10.073 4.400 1.00 0.00 C ATOM 1354 C GLY A 102 -2.280 9.358 5.701 1.00 0.00 C ATOM 1355 O GLY A 102 -1.376 9.060 6.480 1.00 0.00 O ATOM 0 H GLY A 102 -3.608 10.541 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.754 9.336 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.072 10.677 4.526 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.554 9.079 5.940 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.970 8.401 7.160 1.00 0.00 C ATOM 1361 C ASN A 103 -4.854 7.202 6.836 1.00 0.00 C ATOM 1362 O ASN A 103 -5.091 6.894 5.669 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.712 9.374 8.081 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.775 10.155 8.981 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.465 9.730 10.096 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.308 11.296 8.503 1.00 0.00 N ATOM 0 H ASN A 103 -4.318 9.312 5.305 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.079 8.041 7.674 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.293 10.070 7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.420 8.818 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.667 11.859 9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.589 11.613 7.575 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.324 6.522 7.870 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.175 5.366 7.682 1.00 0.00 C ATOM 1375 C GLY A 104 -5.746 4.208 8.564 1.00 0.00 C ATOM 1376 O GLY A 104 -5.336 4.427 9.707 1.00 0.00 O ATOM 0 H GLY A 104 -5.129 6.753 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.207 5.633 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.146 5.058 6.637 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.832 2.966 8.062 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.434 1.771 8.813 1.00 0.00 C ATOM 1382 C PRO A 105 -3.917 1.643 8.909 1.00 0.00 C ATOM 1383 O PRO A 105 -3.180 2.380 8.248 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.011 0.604 7.993 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.863 1.230 6.934 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.329 2.617 6.728 1.00 0.00 C ATOM 0 HA PRO A 105 -5.798 1.800 9.840 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.214 0.006 7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.599 -0.064 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.818 0.655 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.908 1.258 7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.536 2.640 5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.105 3.305 6.391 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.454 0.709 9.725 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.025 0.494 9.898 1.00 0.00 C ATOM 1396 C GLU A 106 -1.485 -0.418 8.801 1.00 0.00 C ATOM 1397 O GLU A 106 -2.217 -1.247 8.259 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.743 -0.106 11.275 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.292 0.022 11.707 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.060 -0.499 13.106 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.529 0.147 14.068 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.592 -1.554 13.254 1.00 0.00 O ATOM 0 H GLU A 106 -4.046 0.088 10.277 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.519 1.457 9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.378 0.384 12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.020 -1.160 11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.342 -0.525 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.008 1.069 11.657 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.210 -0.248 8.469 1.00 0.00 N ATOM 1410 CA GLY A 107 0.407 -1.057 7.440 1.00 0.00 C ATOM 1411 C GLY A 107 0.619 -2.491 7.876 1.00 0.00 C ATOM 1412 O GLY A 107 0.924 -2.758 9.040 1.00 0.00 O ATOM 0 H GLY A 107 0.408 0.440 8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.218 -1.041 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.367 -0.619 7.165 1.00 0.00 H new ATOM 1416 N VAL A 108 0.464 -3.415 6.939 1.00 0.00 N ATOM 1417 CA VAL A 108 0.640 -4.832 7.218 1.00 0.00 C ATOM 1418 C VAL A 108 1.869 -5.365 6.484 1.00 0.00 C ATOM 1419 O VAL A 108 1.930 -5.333 5.256 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.605 -5.648 6.804 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.433 -7.117 7.165 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.859 -5.076 7.456 1.00 0.00 C ATOM 0 H VAL A 108 0.215 -3.206 5.972 1.00 0.00 H new ATOM 0 HA VAL A 108 0.780 -4.943 8.293 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.717 -5.577 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.322 -7.672 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.438 -7.519 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.292 -7.213 8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.726 -5.663 7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.755 -5.114 8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.993 -4.041 7.141 1.00 0.00 H new ATOM 1432 N ALA A 109 2.847 -5.847 7.240 1.00 0.00 N ATOM 1433 CA ALA A 109 4.074 -6.373 6.657 1.00 0.00 C ATOM 1434 C ALA A 109 3.850 -7.762 6.070 1.00 0.00 C ATOM 1435 O ALA A 109 3.083 -8.558 6.614 1.00 0.00 O ATOM 1436 CB ALA A 109 5.182 -6.401 7.700 1.00 0.00 C ATOM 0 H ALA A 109 2.814 -5.884 8.259 1.00 0.00 H new ATOM 0 HA ALA A 109 4.377 -5.713 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.094 -6.796 7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.365 -5.390 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.882 -7.037 8.533 1.00 0.00 H new ATOM 1442 N ILE A 110 4.512 -8.040 4.952 1.00 0.00 N ATOM 1443 CA ILE A 110 4.393 -9.333 4.286 1.00 0.00 C ATOM 1444 C ILE A 110 5.772 -9.928 4.022 1.00 0.00 C ATOM 1445 O ILE A 110 6.652 -9.273 3.461 1.00 0.00 O ATOM 1446 CB ILE A 110 3.614 -9.234 2.952 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.221 -8.164 2.044 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.150 -8.933 3.217 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.662 -8.173 0.639 1.00 0.00 C ATOM 0 H ILE A 110 5.139 -7.384 4.486 1.00 0.00 H new ATOM 0 HA ILE A 110 3.833 -9.983 4.958 1.00 0.00 H new ATOM 0 HB ILE A 110 3.688 -10.195 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.050 -7.183 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.300 -8.309 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.615 -8.866 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.718 -9.730 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.064 -7.986 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.139 -7.388 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.857 -9.140 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.587 -7.997 0.674 1.00 0.00 H new ATOM 1461 N SER A 111 5.965 -11.161 4.451 1.00 0.00 N ATOM 1462 CA SER A 111 7.229 -11.844 4.251 1.00 0.00 C ATOM 1463 C SER A 111 7.091 -12.885 3.148 1.00 0.00 C ATOM 1464 O SER A 111 6.102 -13.621 3.098 1.00 0.00 O ATOM 1465 CB SER A 111 7.685 -12.498 5.554 1.00 0.00 C ATOM 1466 OG SER A 111 7.525 -11.600 6.641 1.00 0.00 O ATOM 0 H SER A 111 5.260 -11.711 4.942 1.00 0.00 H new ATOM 0 HA SER A 111 7.982 -11.117 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.107 -13.404 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.730 -12.797 5.472 1.00 0.00 H new ATOM 0 HG SER A 111 7.820 -12.033 7.469 1.00 0.00 H new ATOM 1472 N PHE A 112 8.073 -12.926 2.260 1.00 0.00 N ATOM 1473 CA PHE A 112 8.070 -13.871 1.153 1.00 0.00 C ATOM 1474 C PHE A 112 8.466 -15.258 1.645 1.00 0.00 C ATOM 1475 O PHE A 112 8.890 -15.419 2.791 1.00 0.00 O ATOM 1476 CB PHE A 112 9.026 -13.404 0.050 1.00 0.00 C ATOM 1477 CG PHE A 112 8.625 -12.097 -0.582 1.00 0.00 C ATOM 1478 CD1 PHE A 112 8.989 -10.889 -0.010 1.00 0.00 C ATOM 1479 CD2 PHE A 112 7.886 -12.078 -1.754 1.00 0.00 C ATOM 1480 CE1 PHE A 112 8.623 -9.690 -0.589 1.00 0.00 C ATOM 1481 CE2 PHE A 112 7.519 -10.882 -2.341 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.888 -9.686 -1.757 1.00 0.00 C ATOM 0 H PHE A 112 8.887 -12.312 2.285 1.00 0.00 H new ATOM 0 HA PHE A 112 7.063 -13.921 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.028 -13.304 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.078 -14.171 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.567 -10.885 0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.593 -13.010 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 112 8.912 -8.757 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.944 -10.882 -3.255 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.602 -8.750 -2.213 1.00 0.00 H new ATOM 1492 N ASN A 113 8.329 -16.257 0.787 1.00 0.00 N ATOM 1493 CA ASN A 113 8.670 -17.627 1.158 1.00 0.00 C ATOM 1494 C ASN A 113 10.149 -17.902 0.929 1.00 0.00 C ATOM 1495 O ASN A 113 10.644 -18.939 1.418 1.00 0.00 O ATOM 1496 CB ASN A 113 7.816 -18.643 0.383 1.00 0.00 C ATOM 1497 CG ASN A 113 7.827 -18.417 -1.120 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.869 -18.176 -1.729 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.657 -18.493 -1.733 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.819 -17.069 0.275 1.00 0.00 O ATOM 0 H ASN A 113 7.986 -16.149 -0.167 1.00 0.00 H new ATOM 0 HA ASN A 113 8.456 -17.740 2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.179 -19.649 0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.788 -18.593 0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.599 -18.350 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.813 -18.695 -1.197 1.00 0.00 H new