USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -11:sc= 0.91 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.281) USER MOD Single : A 13 TYR OH : rot -93:sc= -5.37! USER MOD Single : A 14 TYR OH : rot -39:sc= -2.03! USER MOD Single : A 15 ASN :FLIP amide:sc= -1 F(o=-2.5!,f=-1) USER MOD Single : A 17 ASN :FLIP amide:sc= -2.47! C(o=-5.9!,f=-2.5!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.391 USER MOD Single : A 24 ASN : amide:sc= -1.8 K(o=-1.8,f=-4.7!) USER MOD Single : A 29 ASN : amide:sc= -1.66! C(o=-1.7!,f=-5.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= -0.832 (180deg=-1.48) USER MOD Single : A 33 GLN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 38 THR OG1 : rot 96:sc= 0.362 USER MOD Single : A 39 SER OG : rot -121:sc= 0.936 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.458 F(o=-2.1,f=-0.46) USER MOD Single : A 57 THR OG1 : rot -56:sc= -5.16! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -173:sc= -5.91! (180deg=-6.21!) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= -0.0499 (180deg=-0.319) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.681 -15.527 -3.500 1.00 0.00 N ATOM 2 CA SER A 1 11.379 -14.273 -2.761 1.00 0.00 C ATOM 3 C SER A 1 11.241 -14.535 -1.264 1.00 0.00 C ATOM 4 O SER A 1 10.182 -14.946 -0.791 1.00 0.00 O ATOM 5 CB SER A 1 10.081 -13.682 -3.314 1.00 0.00 C ATOM 6 OG SER A 1 8.949 -14.252 -2.680 1.00 0.00 O ATOM 0 H1 SER A 1 11.769 -15.319 -4.515 1.00 0.00 H new ATOM 0 H2 SER A 1 12.574 -15.930 -3.150 1.00 0.00 H new ATOM 0 H3 SER A 1 10.911 -16.211 -3.353 1.00 0.00 H new ATOM 0 HA SER A 1 12.201 -13.570 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.078 -12.602 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.027 -13.858 -4.388 1.00 0.00 H new ATOM 0 HG SER A 1 9.228 -15.025 -2.146 1.00 0.00 H new ATOM 14 N ALA A 2 12.319 -14.295 -0.526 1.00 0.00 N ATOM 15 CA ALA A 2 12.318 -14.504 0.918 1.00 0.00 C ATOM 16 C ALA A 2 12.022 -13.205 1.660 1.00 0.00 C ATOM 17 O ALA A 2 12.566 -12.955 2.735 1.00 0.00 O ATOM 18 CB ALA A 2 13.653 -15.077 1.368 1.00 0.00 C ATOM 0 H ALA A 2 13.204 -13.956 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 2 11.529 -15.217 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.639 -15.228 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.826 -16.031 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.453 -14.383 1.109 1.00 0.00 H new ATOM 24 N ASP A 3 11.156 -12.381 1.078 1.00 0.00 N ATOM 25 CA ASP A 3 10.787 -11.107 1.686 1.00 0.00 C ATOM 26 C ASP A 3 9.850 -11.319 2.870 1.00 0.00 C ATOM 27 O ASP A 3 9.367 -12.428 3.101 1.00 0.00 O ATOM 28 CB ASP A 3 10.122 -10.199 0.650 1.00 0.00 C ATOM 29 CG ASP A 3 11.115 -9.642 -0.352 1.00 0.00 C ATOM 30 OD1 ASP A 3 11.825 -10.444 -0.993 1.00 0.00 O ATOM 31 OD2 ASP A 3 11.181 -8.403 -0.496 1.00 0.00 O ATOM 0 H ASP A 3 10.697 -12.572 0.187 1.00 0.00 H new ATOM 0 HA ASP A 3 11.697 -10.629 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.351 -10.760 0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.623 -9.375 1.160 1.00 0.00 H new ATOM 36 N GLN A 4 9.599 -10.250 3.618 1.00 0.00 N ATOM 37 CA GLN A 4 8.720 -10.321 4.780 1.00 0.00 C ATOM 38 C GLN A 4 8.758 -9.019 5.574 1.00 0.00 C ATOM 39 O GLN A 4 9.526 -8.883 6.527 1.00 0.00 O ATOM 40 CB GLN A 4 9.121 -11.493 5.678 1.00 0.00 C ATOM 41 CG GLN A 4 8.391 -11.515 7.011 1.00 0.00 C ATOM 42 CD GLN A 4 8.989 -12.510 7.987 1.00 0.00 C ATOM 43 OE1 GLN A 4 8.862 -13.722 7.813 1.00 0.00 O ATOM 44 NE2 GLN A 4 9.649 -12.001 9.020 1.00 0.00 N ATOM 0 H GLN A 4 9.991 -9.325 3.441 1.00 0.00 H new ATOM 0 HA GLN A 4 7.702 -10.477 4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.926 -12.427 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.194 -11.449 5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.417 -10.519 7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.343 -11.762 6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.730 -10.990 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.075 -12.621 9.708 1.00 0.00 H new ATOM 53 N PRO A 5 7.923 -8.044 5.189 1.00 0.00 N ATOM 54 CA PRO A 5 7.855 -6.744 5.864 1.00 0.00 C ATOM 55 C PRO A 5 7.636 -6.883 7.367 1.00 0.00 C ATOM 56 O PRO A 5 7.324 -7.967 7.860 1.00 0.00 O ATOM 57 CB PRO A 5 6.648 -6.067 5.209 1.00 0.00 C ATOM 58 CG PRO A 5 6.535 -6.710 3.871 1.00 0.00 C ATOM 59 CD PRO A 5 6.977 -8.134 4.063 1.00 0.00 C ATOM 0 HA PRO A 5 8.784 -6.182 5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.743 -6.216 5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.797 -4.991 5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.511 -6.665 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.162 -6.201 3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.137 -8.789 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.454 -8.532 3.167 1.00 0.00 H new ATOM 67 N LYS A 6 7.802 -5.780 8.088 1.00 0.00 N ATOM 68 CA LYS A 6 7.623 -5.780 9.536 1.00 0.00 C ATOM 69 C LYS A 6 6.452 -4.888 9.940 1.00 0.00 C ATOM 70 O LYS A 6 5.636 -4.502 9.103 1.00 0.00 O ATOM 71 CB LYS A 6 8.902 -5.306 10.228 1.00 0.00 C ATOM 72 CG LYS A 6 9.322 -6.184 11.396 1.00 0.00 C ATOM 73 CD LYS A 6 10.825 -6.130 11.621 1.00 0.00 C ATOM 74 CE LYS A 6 11.466 -7.493 11.430 1.00 0.00 C ATOM 75 NZ LYS A 6 12.863 -7.387 10.925 1.00 0.00 N ATOM 0 H LYS A 6 8.060 -4.875 7.695 1.00 0.00 H new ATOM 0 HA LYS A 6 7.404 -6.801 9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.711 -5.276 9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.756 -4.286 10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.806 -5.860 12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.018 -7.213 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.272 -5.416 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.030 -5.768 12.629 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.463 -8.031 12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.871 -8.079 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.263 -8.340 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.864 -6.897 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.438 -6.851 11.605 1.00 0.00 H new ATOM 89 N GLU A 7 6.376 -4.567 11.227 1.00 0.00 N ATOM 90 CA GLU A 7 5.305 -3.720 11.741 1.00 0.00 C ATOM 91 C GLU A 7 5.485 -2.277 11.281 1.00 0.00 C ATOM 92 O GLU A 7 5.585 -1.362 12.099 1.00 0.00 O ATOM 93 CB GLU A 7 5.265 -3.781 13.269 1.00 0.00 C ATOM 94 CG GLU A 7 6.590 -3.431 13.927 1.00 0.00 C ATOM 95 CD GLU A 7 6.920 -4.342 15.093 1.00 0.00 C ATOM 96 OE1 GLU A 7 6.753 -5.572 14.952 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.347 -3.825 16.148 1.00 0.00 O ATOM 0 H GLU A 7 7.042 -4.880 11.933 1.00 0.00 H new ATOM 0 HA GLU A 7 4.360 -4.093 11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.497 -3.098 13.632 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.970 -4.784 13.577 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.387 -3.492 13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.557 -2.399 14.275 1.00 0.00 H new ATOM 104 N GLU A 8 5.527 -2.081 9.968 1.00 0.00 N ATOM 105 CA GLU A 8 5.696 -0.751 9.395 1.00 0.00 C ATOM 106 C GLU A 8 4.363 -0.195 8.905 1.00 0.00 C ATOM 107 O GLU A 8 3.883 -0.567 7.834 1.00 0.00 O ATOM 108 CB GLU A 8 6.697 -0.795 8.240 1.00 0.00 C ATOM 109 CG GLU A 8 7.960 -1.580 8.559 1.00 0.00 C ATOM 110 CD GLU A 8 9.189 -1.007 7.881 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.792 -0.068 8.441 1.00 0.00 O ATOM 112 OE2 GLU A 8 9.548 -1.499 6.790 1.00 0.00 O ATOM 0 H GLU A 8 5.446 -2.829 9.279 1.00 0.00 H new ATOM 0 HA GLU A 8 6.079 -0.093 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.214 -1.238 7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.971 0.224 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.115 -1.588 9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.828 -2.616 8.248 1.00 0.00 H new ATOM 119 N LYS A 9 3.770 0.696 9.692 1.00 0.00 N ATOM 120 CA LYS A 9 2.493 1.301 9.332 1.00 0.00 C ATOM 121 C LYS A 9 2.674 2.756 8.919 1.00 0.00 C ATOM 122 O LYS A 9 3.252 3.559 9.652 1.00 0.00 O ATOM 123 CB LYS A 9 1.499 1.200 10.497 1.00 0.00 C ATOM 124 CG LYS A 9 0.157 1.877 10.237 1.00 0.00 C ATOM 125 CD LYS A 9 0.237 3.399 10.290 1.00 0.00 C ATOM 126 CE LYS A 9 1.103 3.893 11.438 1.00 0.00 C ATOM 127 NZ LYS A 9 0.529 3.533 12.763 1.00 0.00 N ATOM 0 H LYS A 9 4.153 1.015 10.582 1.00 0.00 H new ATOM 0 HA LYS A 9 2.091 0.751 8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.325 0.147 10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.951 1.644 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.214 1.572 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.567 1.531 10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.639 3.772 9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.767 3.810 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.102 3.467 11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.211 4.976 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.150 3.888 13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.414 3.960 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.450 2.499 12.838 1.00 0.00 H new ATOM 141 N LYS A 10 2.158 3.088 7.746 1.00 0.00 N ATOM 142 CA LYS A 10 2.229 4.444 7.226 1.00 0.00 C ATOM 143 C LYS A 10 0.894 4.814 6.602 1.00 0.00 C ATOM 144 O LYS A 10 -0.008 3.981 6.513 1.00 0.00 O ATOM 145 CB LYS A 10 3.348 4.589 6.188 1.00 0.00 C ATOM 146 CG LYS A 10 4.546 5.364 6.701 1.00 0.00 C ATOM 147 CD LYS A 10 4.891 4.974 8.130 1.00 0.00 C ATOM 148 CE LYS A 10 6.284 5.447 8.516 1.00 0.00 C ATOM 149 NZ LYS A 10 6.619 6.758 7.895 1.00 0.00 N ATOM 0 H LYS A 10 1.681 2.429 7.131 1.00 0.00 H new ATOM 0 HA LYS A 10 2.453 5.118 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.673 3.597 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.952 5.089 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.404 5.179 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.336 6.433 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.158 5.403 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.831 3.891 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.351 5.532 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.018 4.702 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.439 7.173 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.847 6.618 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.805 7.400 7.979 1.00 0.00 H new ATOM 163 N GLU A 11 0.766 6.054 6.161 1.00 0.00 N ATOM 164 CA GLU A 11 -0.472 6.494 5.540 1.00 0.00 C ATOM 165 C GLU A 11 -0.587 5.909 4.144 1.00 0.00 C ATOM 166 O GLU A 11 0.254 6.171 3.283 1.00 0.00 O ATOM 167 CB GLU A 11 -0.549 8.015 5.478 1.00 0.00 C ATOM 168 CG GLU A 11 -0.177 8.700 6.782 1.00 0.00 C ATOM 169 CD GLU A 11 1.285 9.095 6.836 1.00 0.00 C ATOM 170 OE1 GLU A 11 1.731 9.843 5.941 1.00 0.00 O ATOM 171 OE2 GLU A 11 1.984 8.657 7.773 1.00 0.00 O ATOM 0 H GLU A 11 1.494 6.766 6.220 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.303 6.139 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.113 8.371 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.562 8.307 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.795 9.589 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.401 8.033 7.615 1.00 0.00 H new ATOM 178 N CYS A 12 -1.627 5.122 3.917 1.00 0.00 N ATOM 179 CA CYS A 12 -1.831 4.516 2.616 1.00 0.00 C ATOM 180 C CYS A 12 -2.029 5.606 1.580 1.00 0.00 C ATOM 181 O CYS A 12 -2.246 6.767 1.927 1.00 0.00 O ATOM 182 CB CYS A 12 -3.030 3.569 2.646 1.00 0.00 C ATOM 183 SG CYS A 12 -3.235 2.572 1.137 1.00 0.00 S ATOM 0 H CYS A 12 -2.336 4.891 4.612 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.952 3.929 2.350 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.927 2.899 3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.936 4.153 2.807 1.00 0.00 H new ATOM 188 N TYR A 13 -1.950 5.244 0.313 1.00 0.00 N ATOM 189 CA TYR A 13 -2.117 6.218 -0.748 1.00 0.00 C ATOM 190 C TYR A 13 -3.109 5.733 -1.796 1.00 0.00 C ATOM 191 O TYR A 13 -3.114 4.562 -2.176 1.00 0.00 O ATOM 192 CB TYR A 13 -0.773 6.528 -1.403 1.00 0.00 C ATOM 193 CG TYR A 13 0.090 7.475 -0.599 1.00 0.00 C ATOM 194 CD1 TYR A 13 0.552 7.090 0.648 1.00 0.00 C ATOM 195 CD2 TYR A 13 0.430 8.754 -1.061 1.00 0.00 C ATOM 196 CE1 TYR A 13 1.326 7.929 1.413 1.00 0.00 C ATOM 197 CE2 TYR A 13 1.199 9.602 -0.294 1.00 0.00 C ATOM 198 CZ TYR A 13 1.648 9.183 0.943 1.00 0.00 C ATOM 199 OH TYR A 13 2.411 10.023 1.718 1.00 0.00 O ATOM 0 H TYR A 13 -1.773 4.291 -0.004 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.515 7.129 -0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.229 5.596 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.950 6.959 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.299 6.111 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.085 9.079 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.681 7.606 2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.449 10.588 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 13 1.824 10.598 2.252 1.00 0.00 H new ATOM 209 N TYR A 14 -3.944 6.653 -2.252 1.00 0.00 N ATOM 210 CA TYR A 14 -4.953 6.358 -3.258 1.00 0.00 C ATOM 211 C TYR A 14 -4.922 7.432 -4.347 1.00 0.00 C ATOM 212 O TYR A 14 -4.989 7.129 -5.539 1.00 0.00 O ATOM 213 CB TYR A 14 -6.326 6.301 -2.597 1.00 0.00 C ATOM 214 CG TYR A 14 -7.048 4.981 -2.752 1.00 0.00 C ATOM 215 CD1 TYR A 14 -7.530 4.573 -3.983 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.263 4.156 -1.657 1.00 0.00 C ATOM 217 CE1 TYR A 14 -8.204 3.374 -4.126 1.00 0.00 C ATOM 218 CE2 TYR A 14 -7.938 2.960 -1.787 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.406 2.571 -3.024 1.00 0.00 C ATOM 220 OH TYR A 14 -9.080 1.379 -3.159 1.00 0.00 O ATOM 0 H TYR A 14 -3.942 7.623 -1.936 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.745 5.392 -3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.212 6.514 -1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.949 7.092 -3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.377 5.202 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.896 4.455 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.570 3.069 -5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.099 2.331 -0.924 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.824 1.493 -3.787 1.00 0.00 H new ATOM 230 N ASN A 15 -4.788 8.689 -3.919 1.00 0.00 N ATOM 231 CA ASN A 15 -4.709 9.824 -4.839 1.00 0.00 C ATOM 232 C ASN A 15 -3.263 10.304 -4.926 1.00 0.00 C ATOM 233 O ASN A 15 -2.985 11.497 -5.003 1.00 0.00 O ATOM 234 CB ASN A 15 -5.617 10.962 -4.370 1.00 0.00 C ATOM 235 CG ASN A 15 -6.680 11.312 -5.393 1.00 0.00 C ATOM 236 OD1 ASN A 15 -7.257 10.294 -6.019 1.00 0.00 O flip ATOM 237 ND2 ASN A 15 -6.981 12.485 -5.615 1.00 0.00 N flip ATOM 0 H ASN A 15 -4.732 8.947 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.046 9.506 -5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.097 10.678 -3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.012 11.844 -4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.511 13.236 -5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.700 12.705 -6.304 1.00 0.00 H new ATOM 244 N LEU A 16 -2.358 9.336 -4.846 1.00 0.00 N ATOM 245 CA LEU A 16 -0.914 9.545 -4.834 1.00 0.00 C ATOM 246 C LEU A 16 -0.349 9.694 -6.238 1.00 0.00 C ATOM 247 O LEU A 16 -0.980 10.333 -7.070 1.00 0.00 O ATOM 248 CB LEU A 16 -0.299 8.330 -4.143 1.00 0.00 C ATOM 249 CG LEU A 16 -0.673 6.945 -4.699 1.00 0.00 C ATOM 250 CD1 LEU A 16 -0.493 6.851 -6.200 1.00 0.00 C ATOM 251 CD2 LEU A 16 0.170 5.884 -4.032 1.00 0.00 C ATOM 0 H LEU A 16 -2.617 8.351 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.677 10.470 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.786 8.430 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.582 8.360 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.730 6.789 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.771 5.853 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.127 7.590 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.550 7.043 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.098 4.904 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.224 6.080 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.007 5.901 -2.957 1.00 0.00 H new ATOM 263 N ASN A 17 0.830 9.109 -6.484 1.00 0.00 N ATOM 264 CA ASN A 17 1.478 9.144 -7.790 1.00 0.00 C ATOM 265 C ASN A 17 2.998 9.233 -7.678 1.00 0.00 C ATOM 266 O ASN A 17 3.601 10.246 -8.028 1.00 0.00 O ATOM 267 CB ASN A 17 0.948 10.278 -8.667 1.00 0.00 C ATOM 268 CG ASN A 17 -0.271 9.867 -9.481 1.00 0.00 C ATOM 269 OD1 ASN A 17 -0.934 8.789 -9.067 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -0.613 10.514 -10.472 1.00 0.00 N flip ATOM 0 H ASN A 17 1.359 8.598 -5.777 1.00 0.00 H new ATOM 0 HA ASN A 17 1.229 8.198 -8.271 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.690 11.129 -8.037 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.737 10.609 -9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.077 11.334 -10.755 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.432 10.229 -11.009 1.00 0.00 H new ATOM 277 N ASP A 18 3.615 8.152 -7.212 1.00 0.00 N ATOM 278 CA ASP A 18 5.064 8.095 -7.080 1.00 0.00 C ATOM 279 C ASP A 18 5.560 8.903 -5.884 1.00 0.00 C ATOM 280 O ASP A 18 5.326 10.105 -5.807 1.00 0.00 O ATOM 281 CB ASP A 18 5.716 8.609 -8.360 1.00 0.00 C ATOM 282 CG ASP A 18 6.963 7.829 -8.731 1.00 0.00 C ATOM 283 OD1 ASP A 18 6.836 6.808 -9.438 1.00 0.00 O ATOM 284 OD2 ASP A 18 8.066 8.242 -8.314 1.00 0.00 O ATOM 0 H ASP A 18 3.132 7.303 -6.919 1.00 0.00 H new ATOM 0 HA ASP A 18 5.343 7.055 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.998 8.551 -9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.973 9.661 -8.236 1.00 0.00 H new ATOM 289 N ALA A 19 6.239 8.221 -4.956 1.00 0.00 N ATOM 290 CA ALA A 19 6.780 8.852 -3.749 1.00 0.00 C ATOM 291 C ALA A 19 7.625 10.094 -4.060 1.00 0.00 C ATOM 292 O ALA A 19 8.843 10.084 -3.882 1.00 0.00 O ATOM 293 CB ALA A 19 7.615 7.846 -2.972 1.00 0.00 C ATOM 0 H ALA A 19 6.428 7.221 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 19 5.931 9.180 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.015 8.320 -2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.991 6.999 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.438 7.497 -3.596 1.00 0.00 H new ATOM 299 N SER A 20 6.973 11.163 -4.509 1.00 0.00 N ATOM 300 CA SER A 20 7.661 12.412 -4.827 1.00 0.00 C ATOM 301 C SER A 20 6.663 13.535 -5.088 1.00 0.00 C ATOM 302 O SER A 20 6.767 14.628 -4.532 1.00 0.00 O ATOM 303 CB SER A 20 8.573 12.225 -6.040 1.00 0.00 C ATOM 304 OG SER A 20 7.882 12.498 -7.246 1.00 0.00 O ATOM 0 H SER A 20 5.965 11.190 -4.662 1.00 0.00 H new ATOM 0 HA SER A 20 8.270 12.689 -3.967 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.436 12.885 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.953 11.204 -6.059 1.00 0.00 H new ATOM 0 HG SER A 20 8.488 12.373 -8.006 1.00 0.00 H new ATOM 310 N LEU A 21 5.701 13.239 -5.939 1.00 0.00 N ATOM 311 CA LEU A 21 4.649 14.180 -6.316 1.00 0.00 C ATOM 312 C LEU A 21 3.319 13.702 -5.750 1.00 0.00 C ATOM 313 O LEU A 21 2.458 14.484 -5.346 1.00 0.00 O ATOM 314 CB LEU A 21 4.551 14.205 -7.831 1.00 0.00 C ATOM 315 CG LEU A 21 4.233 12.833 -8.417 1.00 0.00 C ATOM 316 CD1 LEU A 21 2.725 12.624 -8.474 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.859 12.660 -9.791 1.00 0.00 C ATOM 0 H LEU A 21 5.621 12.331 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 21 4.879 15.172 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.778 14.913 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.492 14.565 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 21 4.665 12.074 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.509 11.642 -8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.311 12.687 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.274 13.393 -9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.614 11.672 -10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.472 13.423 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.942 12.761 -9.713 1.00 0.00 H new ATOM 329 N CYS A 22 3.196 12.385 -5.738 1.00 0.00 N ATOM 330 CA CYS A 22 2.031 11.672 -5.248 1.00 0.00 C ATOM 331 C CYS A 22 1.205 12.419 -4.216 1.00 0.00 C ATOM 332 O CYS A 22 1.730 13.002 -3.270 1.00 0.00 O ATOM 333 CB CYS A 22 2.470 10.349 -4.635 1.00 0.00 C ATOM 334 SG CYS A 22 3.896 10.443 -3.494 1.00 0.00 S ATOM 0 H CYS A 22 3.929 11.764 -6.081 1.00 0.00 H new ATOM 0 HA CYS A 22 1.390 11.538 -6.120 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.625 9.920 -4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.718 9.659 -5.442 1.00 0.00 H new ATOM 339 N ASP A 23 -0.113 12.336 -4.381 1.00 0.00 N ATOM 340 CA ASP A 23 -1.027 12.945 -3.424 1.00 0.00 C ATOM 341 C ASP A 23 -1.647 11.880 -2.493 1.00 0.00 C ATOM 342 O ASP A 23 -2.031 10.770 -2.918 1.00 0.00 O ATOM 343 CB ASP A 23 -2.128 13.722 -4.138 1.00 0.00 C ATOM 344 CG ASP A 23 -2.036 15.216 -3.894 1.00 0.00 C ATOM 345 OD1 ASP A 23 -1.451 15.613 -2.864 1.00 0.00 O ATOM 346 OD2 ASP A 23 -2.551 15.987 -4.729 1.00 0.00 O ATOM 0 H ASP A 23 -0.566 11.858 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.450 13.641 -2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.069 13.528 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.100 13.361 -3.801 1.00 0.00 H new ATOM 351 N ASN A 24 -1.739 12.227 -1.213 1.00 0.00 N ATOM 352 CA ASN A 24 -2.300 11.329 -0.210 1.00 0.00 C ATOM 353 C ASN A 24 -3.824 11.332 -0.271 1.00 0.00 C ATOM 354 O ASN A 24 -4.412 11.565 -1.326 1.00 0.00 O ATOM 355 CB ASN A 24 -1.829 11.737 1.187 1.00 0.00 C ATOM 356 CG ASN A 24 -2.512 12.996 1.682 1.00 0.00 C ATOM 357 OD1 ASN A 24 -2.568 14.004 0.978 1.00 0.00 O ATOM 358 ND2 ASN A 24 -3.035 12.945 2.903 1.00 0.00 N ATOM 0 H ASN A 24 -1.431 13.127 -0.845 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.950 10.319 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.023 10.923 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.750 11.894 1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.506 13.763 3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.966 12.088 3.452 1.00 0.00 H new ATOM 365 N VAL A 25 -4.462 11.070 0.868 1.00 0.00 N ATOM 366 CA VAL A 25 -5.917 11.041 0.937 1.00 0.00 C ATOM 367 C VAL A 25 -6.472 9.831 0.196 1.00 0.00 C ATOM 368 O VAL A 25 -5.761 9.187 -0.574 1.00 0.00 O ATOM 369 CB VAL A 25 -6.534 12.321 0.344 1.00 0.00 C ATOM 370 CG1 VAL A 25 -7.992 12.452 0.755 1.00 0.00 C ATOM 371 CG2 VAL A 25 -5.739 13.545 0.773 1.00 0.00 C ATOM 0 H VAL A 25 -3.993 10.875 1.753 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.185 10.976 1.991 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.493 12.252 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.410 13.363 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.551 11.590 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.061 12.498 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.190 14.440 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.746 13.620 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.711 13.453 0.422 1.00 0.00 H new ATOM 381 N LEU A 26 -7.745 9.524 0.437 1.00 0.00 N ATOM 382 CA LEU A 26 -8.393 8.387 -0.208 1.00 0.00 C ATOM 383 C LEU A 26 -7.815 7.064 0.284 1.00 0.00 C ATOM 384 O LEU A 26 -8.207 6.002 -0.191 1.00 0.00 O ATOM 385 CB LEU A 26 -8.254 8.485 -1.729 1.00 0.00 C ATOM 386 CG LEU A 26 -9.121 9.557 -2.392 1.00 0.00 C ATOM 387 CD1 LEU A 26 -8.503 10.935 -2.213 1.00 0.00 C ATOM 388 CD2 LEU A 26 -9.313 9.246 -3.868 1.00 0.00 C ATOM 0 H LEU A 26 -8.347 10.047 1.074 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.450 8.415 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.210 8.683 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.504 7.517 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.098 9.556 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.135 11.682 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.417 11.160 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.513 10.952 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.932 10.018 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.342 9.219 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.802 8.278 -3.975 1.00 0.00 H new ATOM 400 N ALA A 27 -6.884 7.125 1.237 1.00 0.00 N ATOM 401 CA ALA A 27 -6.266 5.922 1.769 1.00 0.00 C ATOM 402 C ALA A 27 -5.975 6.053 3.264 1.00 0.00 C ATOM 403 O ALA A 27 -5.509 7.095 3.726 1.00 0.00 O ATOM 404 CB ALA A 27 -4.988 5.629 1.005 1.00 0.00 C ATOM 0 H ALA A 27 -6.546 7.994 1.651 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.964 5.094 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.524 4.727 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.220 5.482 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.300 6.468 1.111 1.00 0.00 H new ATOM 410 N PRO A 28 -6.247 4.989 4.037 1.00 0.00 N ATOM 411 CA PRO A 28 -6.018 4.971 5.484 1.00 0.00 C ATOM 412 C PRO A 28 -4.575 4.623 5.839 1.00 0.00 C ATOM 413 O PRO A 28 -3.821 4.147 4.995 1.00 0.00 O ATOM 414 CB PRO A 28 -6.959 3.863 5.947 1.00 0.00 C ATOM 415 CG PRO A 28 -6.962 2.893 4.814 1.00 0.00 C ATOM 416 CD PRO A 28 -6.805 3.711 3.555 1.00 0.00 C ATOM 0 HA PRO A 28 -6.195 5.941 5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.606 3.399 6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.960 4.247 6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.148 2.175 4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.890 2.322 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.138 3.226 2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.760 3.856 3.050 1.00 0.00 H new ATOM 424 N ASN A 29 -4.194 4.855 7.092 1.00 0.00 N ATOM 425 CA ASN A 29 -2.836 4.554 7.538 1.00 0.00 C ATOM 426 C ASN A 29 -2.742 3.131 8.072 1.00 0.00 C ATOM 427 O ASN A 29 -3.334 2.801 9.100 1.00 0.00 O ATOM 428 CB ASN A 29 -2.386 5.545 8.612 1.00 0.00 C ATOM 429 CG ASN A 29 -3.097 6.881 8.503 1.00 0.00 C ATOM 430 OD1 ASN A 29 -3.683 7.203 7.470 1.00 0.00 O ATOM 431 ND2 ASN A 29 -3.046 7.667 9.572 1.00 0.00 N ATOM 0 H ASN A 29 -4.801 5.247 7.812 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.175 4.647 6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.572 5.117 9.597 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.310 5.701 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.504 8.578 9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.549 7.360 10.408 1.00 0.00 H new ATOM 438 N VAL A 30 -1.996 2.293 7.363 1.00 0.00 N ATOM 439 CA VAL A 30 -1.825 0.902 7.759 1.00 0.00 C ATOM 440 C VAL A 30 -0.473 0.360 7.307 1.00 0.00 C ATOM 441 O VAL A 30 0.492 1.109 7.185 1.00 0.00 O ATOM 442 CB VAL A 30 -2.942 0.030 7.176 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.296 0.681 7.409 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.708 -0.208 5.691 1.00 0.00 C ATOM 0 H VAL A 30 -1.500 2.553 6.511 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.871 0.867 8.847 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.933 -0.935 7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.080 0.050 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.462 0.803 8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.318 1.658 6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.510 -0.829 5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.694 0.748 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.753 -0.713 5.550 1.00 0.00 H new ATOM 454 N THR A 31 -0.409 -0.947 7.059 1.00 0.00 N ATOM 455 CA THR A 31 0.829 -1.578 6.617 1.00 0.00 C ATOM 456 C THR A 31 0.808 -1.805 5.108 1.00 0.00 C ATOM 457 O THR A 31 -0.233 -2.118 4.529 1.00 0.00 O ATOM 458 CB THR A 31 1.043 -2.904 7.348 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.114 -3.263 8.083 1.00 0.00 O ATOM 460 CG2 THR A 31 2.208 -2.870 8.314 1.00 0.00 C ATOM 0 H THR A 31 -1.198 -1.586 7.157 1.00 0.00 H new ATOM 0 HA THR A 31 1.657 -0.910 6.855 1.00 0.00 H new ATOM 0 HB THR A 31 1.258 -3.635 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.041 -4.115 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.306 -3.841 8.800 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.125 -2.642 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.033 -2.103 9.068 1.00 0.00 H new ATOM 468 N LYS A 32 1.963 -1.633 4.475 1.00 0.00 N ATOM 469 CA LYS A 32 2.085 -1.806 3.032 1.00 0.00 C ATOM 470 C LYS A 32 1.270 -2.998 2.538 1.00 0.00 C ATOM 471 O LYS A 32 0.653 -2.939 1.474 1.00 0.00 O ATOM 472 CB LYS A 32 3.555 -1.974 2.643 1.00 0.00 C ATOM 473 CG LYS A 32 4.123 -3.350 2.945 1.00 0.00 C ATOM 474 CD LYS A 32 4.544 -3.471 4.400 1.00 0.00 C ATOM 475 CE LYS A 32 5.491 -2.351 4.800 1.00 0.00 C ATOM 476 NZ LYS A 32 6.454 -2.025 3.712 1.00 0.00 N ATOM 0 H LYS A 32 2.832 -1.373 4.941 1.00 0.00 H new ATOM 0 HA LYS A 32 1.687 -0.910 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.663 -1.774 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.147 -1.225 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.377 -4.111 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.981 -3.540 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.661 -3.448 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.029 -4.434 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.915 -1.461 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.040 -2.642 5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.317 -1.617 4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.695 -2.892 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.023 -1.338 3.061 1.00 0.00 H new ATOM 490 N GLN A 33 1.273 -4.080 3.306 1.00 0.00 N ATOM 491 CA GLN A 33 0.534 -5.280 2.930 1.00 0.00 C ATOM 492 C GLN A 33 -0.967 -5.026 2.952 1.00 0.00 C ATOM 493 O GLN A 33 -1.672 -5.325 1.987 1.00 0.00 O ATOM 494 CB GLN A 33 0.882 -6.433 3.872 1.00 0.00 C ATOM 495 CG GLN A 33 2.373 -6.700 3.969 1.00 0.00 C ATOM 496 CD GLN A 33 2.693 -8.173 4.140 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.023 -8.625 5.237 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.598 -8.930 3.054 1.00 0.00 N ATOM 0 H GLN A 33 1.777 -4.152 4.190 1.00 0.00 H new ATOM 0 HA GLN A 33 0.822 -5.549 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.494 -6.210 4.866 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.380 -7.337 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.864 -6.327 3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.784 -6.143 4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.321 -8.514 2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.802 -9.928 3.108 1.00 0.00 H new ATOM 507 N GLU A 34 -1.451 -4.471 4.055 1.00 0.00 N ATOM 508 CA GLU A 34 -2.871 -4.177 4.199 1.00 0.00 C ATOM 509 C GLU A 34 -3.297 -3.089 3.220 1.00 0.00 C ATOM 510 O GLU A 34 -4.274 -3.246 2.490 1.00 0.00 O ATOM 511 CB GLU A 34 -3.183 -3.739 5.631 1.00 0.00 C ATOM 512 CG GLU A 34 -2.410 -4.514 6.685 1.00 0.00 C ATOM 513 CD GLU A 34 -2.429 -6.010 6.441 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.474 -6.642 6.706 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.400 -6.551 5.986 1.00 0.00 O ATOM 0 H GLU A 34 -0.882 -4.215 4.862 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.430 -5.086 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.958 -2.677 5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.251 -3.858 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.377 -4.166 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.833 -4.305 7.667 1.00 0.00 H new ATOM 522 N CYS A 35 -2.555 -1.988 3.212 1.00 0.00 N ATOM 523 CA CYS A 35 -2.854 -0.871 2.326 1.00 0.00 C ATOM 524 C CYS A 35 -2.811 -1.302 0.862 1.00 0.00 C ATOM 525 O CYS A 35 -3.848 -1.432 0.215 1.00 0.00 O ATOM 526 CB CYS A 35 -1.864 0.275 2.570 1.00 0.00 C ATOM 527 SG CYS A 35 -1.601 1.371 1.135 1.00 0.00 S ATOM 0 H CYS A 35 -1.741 -1.845 3.810 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.864 -0.524 2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.222 0.874 3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.905 -0.148 2.868 1.00 0.00 H new ATOM 532 N CYS A 36 -1.607 -1.510 0.346 1.00 0.00 N ATOM 533 CA CYS A 36 -1.433 -1.912 -1.045 1.00 0.00 C ATOM 534 C CYS A 36 -2.512 -2.900 -1.479 1.00 0.00 C ATOM 535 O CYS A 36 -3.137 -2.726 -2.524 1.00 0.00 O ATOM 536 CB CYS A 36 -0.048 -2.525 -1.251 1.00 0.00 C ATOM 537 SG CYS A 36 1.329 -1.452 -0.722 1.00 0.00 S ATOM 0 H CYS A 36 -0.737 -1.407 0.868 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.525 -1.019 -1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.007 -3.465 -0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.078 -2.765 -2.307 1.00 0.00 H new ATOM 542 N CYS A 37 -2.723 -3.939 -0.678 1.00 0.00 N ATOM 543 CA CYS A 37 -3.724 -4.953 -0.994 1.00 0.00 C ATOM 544 C CYS A 37 -5.138 -4.433 -0.750 1.00 0.00 C ATOM 545 O CYS A 37 -6.102 -4.944 -1.321 1.00 0.00 O ATOM 546 CB CYS A 37 -3.483 -6.213 -0.162 1.00 0.00 C ATOM 547 SG CYS A 37 -4.770 -7.488 -0.349 1.00 0.00 S ATOM 0 H CYS A 37 -2.216 -4.101 0.192 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.629 -5.196 -2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.520 -6.641 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.414 -5.933 0.889 1.00 0.00 H new ATOM 552 N THR A 38 -5.258 -3.417 0.098 1.00 0.00 N ATOM 553 CA THR A 38 -6.558 -2.835 0.411 1.00 0.00 C ATOM 554 C THR A 38 -6.882 -1.689 -0.538 1.00 0.00 C ATOM 555 O THR A 38 -7.890 -1.715 -1.244 1.00 0.00 O ATOM 556 CB THR A 38 -6.586 -2.336 1.856 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.612 -3.423 2.763 1.00 0.00 O ATOM 558 CG2 THR A 38 -7.776 -1.452 2.163 1.00 0.00 C ATOM 0 H THR A 38 -4.472 -2.980 0.580 1.00 0.00 H new ATOM 0 HA THR A 38 -7.313 -3.612 0.288 1.00 0.00 H new ATOM 0 HB THR A 38 -5.677 -1.746 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.700 -3.620 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.734 -1.133 3.205 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.755 -0.576 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.697 -2.009 1.991 1.00 0.00 H new ATOM 566 N SER A 39 -6.019 -0.681 -0.537 1.00 0.00 N ATOM 567 CA SER A 39 -6.203 0.488 -1.384 1.00 0.00 C ATOM 568 C SER A 39 -5.930 0.156 -2.852 1.00 0.00 C ATOM 569 O SER A 39 -6.389 -0.869 -3.355 1.00 0.00 O ATOM 570 CB SER A 39 -5.298 1.625 -0.905 1.00 0.00 C ATOM 571 OG SER A 39 -3.941 1.361 -1.218 1.00 0.00 O ATOM 0 H SER A 39 -5.181 -0.651 0.044 1.00 0.00 H new ATOM 0 HA SER A 39 -7.242 0.809 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.607 2.561 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.408 1.753 0.172 1.00 0.00 H new ATOM 0 HG SER A 39 -3.410 1.355 -0.394 1.00 0.00 H new ATOM 577 N GLY A 40 -5.190 1.025 -3.542 1.00 0.00 N ATOM 578 CA GLY A 40 -4.895 0.784 -4.941 1.00 0.00 C ATOM 579 C GLY A 40 -4.065 1.882 -5.579 1.00 0.00 C ATOM 580 O GLY A 40 -4.336 2.291 -6.707 1.00 0.00 O ATOM 0 H GLY A 40 -4.794 1.883 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.364 -0.164 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.831 0.681 -5.490 1.00 0.00 H new ATOM 584 N ALA A 41 -3.050 2.361 -4.865 1.00 0.00 N ATOM 585 CA ALA A 41 -2.191 3.413 -5.392 1.00 0.00 C ATOM 586 C ALA A 41 -0.774 3.314 -4.831 1.00 0.00 C ATOM 587 O ALA A 41 0.199 3.326 -5.586 1.00 0.00 O ATOM 588 CB ALA A 41 -2.792 4.776 -5.092 1.00 0.00 C ATOM 0 H ALA A 41 -2.805 2.040 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.124 3.285 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.142 5.556 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.775 4.850 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.890 4.901 -4.014 1.00 0.00 H new ATOM 594 N GLY A 42 -0.657 3.235 -3.506 1.00 0.00 N ATOM 595 CA GLY A 42 0.646 3.158 -2.884 1.00 0.00 C ATOM 596 C GLY A 42 0.580 3.271 -1.376 1.00 0.00 C ATOM 597 O GLY A 42 -0.455 3.626 -0.819 1.00 0.00 O ATOM 0 H GLY A 42 -1.444 3.223 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.118 2.213 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.279 3.953 -3.277 1.00 0.00 H new ATOM 601 N TRP A 43 1.690 2.966 -0.718 1.00 0.00 N ATOM 602 CA TRP A 43 1.760 3.032 0.739 1.00 0.00 C ATOM 603 C TRP A 43 2.996 3.801 1.195 1.00 0.00 C ATOM 604 O TRP A 43 4.100 3.562 0.705 1.00 0.00 O ATOM 605 CB TRP A 43 1.781 1.620 1.322 1.00 0.00 C ATOM 606 CG TRP A 43 1.844 1.593 2.816 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.811 1.802 3.682 1.00 0.00 C ATOM 608 CD2 TRP A 43 3.001 1.340 3.621 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.253 1.693 4.976 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.594 1.410 4.966 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.340 1.061 3.336 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.479 1.208 6.023 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.217 0.860 4.387 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.783 0.935 5.714 1.00 0.00 C ATOM 0 H TRP A 43 2.556 2.670 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 43 0.878 3.561 1.100 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.889 1.087 0.994 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.640 1.082 0.920 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.206 2.021 3.391 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.677 1.804 5.810 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.684 1.003 2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.147 1.265 7.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.254 0.642 4.179 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.493 0.774 6.512 1.00 0.00 H new ATOM 625 N GLY A 44 2.810 4.721 2.141 1.00 0.00 N ATOM 626 CA GLY A 44 3.928 5.497 2.640 1.00 0.00 C ATOM 627 C GLY A 44 3.507 6.684 3.483 1.00 0.00 C ATOM 628 O GLY A 44 2.442 6.683 4.104 1.00 0.00 O ATOM 0 H GLY A 44 1.909 4.940 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.574 4.850 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.520 5.851 1.796 1.00 0.00 H new ATOM 632 N ASP A 45 4.360 7.696 3.498 1.00 0.00 N ATOM 633 CA ASP A 45 4.105 8.918 4.270 1.00 0.00 C ATOM 634 C ASP A 45 4.412 10.170 3.449 1.00 0.00 C ATOM 635 O ASP A 45 5.343 10.177 2.653 1.00 0.00 O ATOM 636 CB ASP A 45 4.948 8.921 5.549 1.00 0.00 C ATOM 637 CG ASP A 45 6.349 9.458 5.326 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.206 8.693 4.836 1.00 0.00 O ATOM 639 OD2 ASP A 45 6.588 10.642 5.641 1.00 0.00 O ATOM 0 H ASP A 45 5.241 7.702 2.984 1.00 0.00 H new ATOM 0 HA ASP A 45 3.047 8.931 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.449 9.524 6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.011 7.906 5.940 1.00 0.00 H new ATOM 644 N ASN A 46 3.624 11.227 3.658 1.00 0.00 N ATOM 645 CA ASN A 46 3.811 12.489 2.935 1.00 0.00 C ATOM 646 C ASN A 46 4.397 12.241 1.552 1.00 0.00 C ATOM 647 O ASN A 46 5.597 12.399 1.330 1.00 0.00 O ATOM 648 CB ASN A 46 4.715 13.439 3.719 1.00 0.00 C ATOM 649 CG ASN A 46 5.020 14.714 2.951 1.00 0.00 C ATOM 650 OD1 ASN A 46 4.191 15.036 1.959 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 5.994 15.407 3.247 1.00 0.00 N flip ATOM 0 H ASN A 46 2.850 11.235 4.322 1.00 0.00 H new ATOM 0 HA ASN A 46 2.831 12.953 2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.237 13.693 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.649 12.931 3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.605 15.126 4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.189 16.262 2.726 1.00 0.00 H new ATOM 658 N CYS A 47 3.538 11.834 0.636 1.00 0.00 N ATOM 659 CA CYS A 47 3.936 11.531 -0.728 1.00 0.00 C ATOM 660 C CYS A 47 5.261 10.770 -0.788 1.00 0.00 C ATOM 661 O CYS A 47 5.990 10.841 -1.777 1.00 0.00 O ATOM 662 CB CYS A 47 4.001 12.784 -1.587 1.00 0.00 C ATOM 663 SG CYS A 47 4.371 12.416 -3.318 1.00 0.00 S ATOM 0 H CYS A 47 2.543 11.704 0.816 1.00 0.00 H new ATOM 0 HA CYS A 47 3.163 10.880 -1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.050 13.312 -1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.764 13.454 -1.190 1.00 0.00 H new ATOM 668 N GLU A 48 5.525 9.989 0.249 1.00 0.00 N ATOM 669 CA GLU A 48 6.711 9.143 0.301 1.00 0.00 C ATOM 670 C GLU A 48 6.202 7.719 0.278 1.00 0.00 C ATOM 671 O GLU A 48 6.493 6.904 1.154 1.00 0.00 O ATOM 672 CB GLU A 48 7.552 9.400 1.557 1.00 0.00 C ATOM 673 CG GLU A 48 7.870 10.868 1.794 1.00 0.00 C ATOM 674 CD GLU A 48 8.046 11.644 0.503 1.00 0.00 C ATOM 675 OE1 GLU A 48 8.507 11.045 -0.492 1.00 0.00 O ATOM 676 OE2 GLU A 48 7.725 12.850 0.486 1.00 0.00 O ATOM 0 H GLU A 48 4.928 9.923 1.074 1.00 0.00 H new ATOM 0 HA GLU A 48 7.370 9.355 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.021 9.008 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.486 8.844 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.068 11.320 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.781 10.947 2.388 1.00 0.00 H new ATOM 683 N ILE A 49 5.364 7.478 -0.718 1.00 0.00 N ATOM 684 CA ILE A 49 4.689 6.206 -0.896 1.00 0.00 C ATOM 685 C ILE A 49 5.360 5.315 -1.943 1.00 0.00 C ATOM 686 O ILE A 49 6.101 5.785 -2.804 1.00 0.00 O ATOM 687 CB ILE A 49 3.200 6.463 -1.282 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.638 5.337 -2.120 1.00 0.00 C ATOM 689 CG2 ILE A 49 3.046 7.757 -2.058 1.00 0.00 C ATOM 690 CD1 ILE A 49 3.102 5.383 -3.563 1.00 0.00 C ATOM 0 H ILE A 49 5.132 8.169 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 49 4.749 5.669 0.051 1.00 0.00 H new ATOM 0 HB ILE A 49 2.648 6.528 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.931 4.383 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.549 5.380 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.997 7.906 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.394 8.591 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.637 7.705 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.665 4.549 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.786 6.322 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.189 5.310 -3.598 1.00 0.00 H new ATOM 702 N PHE A 50 5.043 4.017 -1.872 1.00 0.00 N ATOM 703 CA PHE A 50 5.555 3.033 -2.818 1.00 0.00 C ATOM 704 C PHE A 50 4.405 2.526 -3.690 1.00 0.00 C ATOM 705 O PHE A 50 3.514 1.821 -3.212 1.00 0.00 O ATOM 706 CB PHE A 50 6.209 1.865 -2.077 1.00 0.00 C ATOM 707 CG PHE A 50 6.879 2.265 -0.794 1.00 0.00 C ATOM 708 CD1 PHE A 50 7.886 3.216 -0.790 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.503 1.687 0.408 1.00 0.00 C ATOM 710 CE1 PHE A 50 8.504 3.586 0.390 1.00 0.00 C ATOM 711 CE2 PHE A 50 7.118 2.052 1.590 1.00 0.00 C ATOM 712 CZ PHE A 50 8.119 3.003 1.582 1.00 0.00 C ATOM 0 H PHE A 50 4.427 3.626 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 50 6.311 3.503 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.451 1.112 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.945 1.398 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.192 3.674 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.720 0.943 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.287 4.330 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.816 1.594 2.520 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.600 3.290 2.505 1.00 0.00 H new ATOM 722 N PRO A 51 4.401 2.915 -4.976 1.00 0.00 N ATOM 723 CA PRO A 51 3.354 2.538 -5.933 1.00 0.00 C ATOM 724 C PRO A 51 2.898 1.088 -5.799 1.00 0.00 C ATOM 725 O PRO A 51 3.572 0.167 -6.260 1.00 0.00 O ATOM 726 CB PRO A 51 4.039 2.769 -7.276 1.00 0.00 C ATOM 727 CG PRO A 51 4.949 3.922 -7.025 1.00 0.00 C ATOM 728 CD PRO A 51 5.418 3.786 -5.598 1.00 0.00 C ATOM 0 HA PRO A 51 2.439 3.112 -5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.592 1.887 -7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.315 2.995 -8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.793 3.909 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.429 4.868 -7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.412 3.342 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.474 4.754 -5.101 1.00 0.00 H new ATOM 736 N CYS A 52 1.740 0.898 -5.172 1.00 0.00 N ATOM 737 CA CYS A 52 1.174 -0.433 -4.982 1.00 0.00 C ATOM 738 C CYS A 52 -0.347 -0.382 -4.913 1.00 0.00 C ATOM 739 O CYS A 52 -0.933 0.607 -4.453 1.00 0.00 O ATOM 740 CB CYS A 52 1.722 -1.073 -3.711 1.00 0.00 C ATOM 741 SG CYS A 52 1.477 -0.074 -2.206 1.00 0.00 S ATOM 0 H CYS A 52 1.174 1.653 -4.786 1.00 0.00 H new ATOM 0 HA CYS A 52 1.462 -1.038 -5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.245 -2.043 -3.571 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.788 -1.258 -3.841 1.00 0.00 H new ATOM 746 N PRO A 53 -1.011 -1.455 -5.358 1.00 0.00 N ATOM 747 CA PRO A 53 -0.360 -2.641 -5.907 1.00 0.00 C ATOM 748 C PRO A 53 -0.163 -2.537 -7.416 1.00 0.00 C ATOM 749 O PRO A 53 -0.284 -1.455 -7.993 1.00 0.00 O ATOM 750 CB PRO A 53 -1.369 -3.735 -5.580 1.00 0.00 C ATOM 751 CG PRO A 53 -2.699 -3.059 -5.668 1.00 0.00 C ATOM 752 CD PRO A 53 -2.471 -1.593 -5.370 1.00 0.00 C ATOM 0 HA PRO A 53 0.638 -2.807 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.298 -4.563 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.199 -4.147 -4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.132 -3.188 -6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.400 -3.493 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.926 -0.956 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.907 -1.308 -4.412 1.00 0.00 H new ATOM 760 N VAL A 54 0.130 -3.665 -8.050 1.00 0.00 N ATOM 761 CA VAL A 54 0.329 -3.696 -9.493 1.00 0.00 C ATOM 762 C VAL A 54 -0.684 -4.617 -10.166 1.00 0.00 C ATOM 763 O VAL A 54 -0.760 -4.683 -11.393 1.00 0.00 O ATOM 764 CB VAL A 54 1.753 -4.155 -9.854 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.065 -3.831 -11.307 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.771 -3.512 -8.927 1.00 0.00 C ATOM 0 H VAL A 54 0.235 -4.569 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 54 0.185 -2.679 -9.857 1.00 0.00 H new ATOM 0 HB VAL A 54 1.811 -5.236 -9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.076 -4.162 -11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.353 -4.343 -11.955 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.990 -2.755 -11.464 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.772 -3.848 -9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.715 -2.428 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.557 -3.799 -7.897 1.00 0.00 H new ATOM 776 N LEU A 55 -1.466 -5.324 -9.354 1.00 0.00 N ATOM 777 CA LEU A 55 -2.482 -6.238 -9.867 1.00 0.00 C ATOM 778 C LEU A 55 -1.860 -7.317 -10.747 1.00 0.00 C ATOM 779 O LEU A 55 -1.170 -7.017 -11.721 1.00 0.00 O ATOM 780 CB LEU A 55 -3.541 -5.468 -10.656 1.00 0.00 C ATOM 781 CG LEU A 55 -4.931 -5.437 -10.018 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.821 -5.315 -8.506 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.753 -4.290 -10.588 1.00 0.00 C ATOM 0 H LEU A 55 -1.415 -5.281 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.955 -6.724 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.197 -4.442 -10.791 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.624 -5.909 -11.649 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.438 -6.373 -10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.819 -5.294 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.270 -6.168 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.295 -4.395 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.739 -4.283 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.249 -3.345 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.861 -4.420 -11.665 1.00 0.00 H new ATOM 795 N GLY A 56 -2.115 -8.575 -10.400 1.00 0.00 N ATOM 796 CA GLY A 56 -1.579 -9.681 -11.169 1.00 0.00 C ATOM 797 C GLY A 56 -0.147 -9.446 -11.607 1.00 0.00 C ATOM 798 O GLY A 56 0.223 -9.758 -12.739 1.00 0.00 O ATOM 0 H GLY A 56 -2.684 -8.847 -9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.628 -10.591 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.202 -9.843 -12.048 1.00 0.00 H new ATOM 802 N THR A 57 0.662 -8.895 -10.707 1.00 0.00 N ATOM 803 CA THR A 57 2.062 -8.618 -11.007 1.00 0.00 C ATOM 804 C THR A 57 2.967 -9.098 -9.881 1.00 0.00 C ATOM 805 O THR A 57 2.600 -9.981 -9.106 1.00 0.00 O ATOM 806 CB THR A 57 2.275 -7.122 -11.242 1.00 0.00 C ATOM 807 OG1 THR A 57 1.037 -6.436 -11.251 1.00 0.00 O ATOM 808 CG2 THR A 57 2.978 -6.818 -12.548 1.00 0.00 C ATOM 0 H THR A 57 0.372 -8.632 -9.765 1.00 0.00 H new ATOM 0 HA THR A 57 2.322 -9.161 -11.916 1.00 0.00 H new ATOM 0 HB THR A 57 2.907 -6.785 -10.420 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.445 -6.838 -11.921 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.098 -5.740 -12.654 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.958 -7.295 -12.553 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.384 -7.200 -13.378 1.00 0.00 H new ATOM 816 N ALA A 58 4.155 -8.516 -9.809 1.00 0.00 N ATOM 817 CA ALA A 58 5.132 -8.880 -8.791 1.00 0.00 C ATOM 818 C ALA A 58 4.731 -8.375 -7.408 1.00 0.00 C ATOM 819 O ALA A 58 4.465 -9.163 -6.502 1.00 0.00 O ATOM 820 CB ALA A 58 6.500 -8.335 -9.170 1.00 0.00 C ATOM 0 H ALA A 58 4.468 -7.785 -10.448 1.00 0.00 H new ATOM 0 HA ALA A 58 5.171 -9.968 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.226 -8.610 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.806 -8.754 -10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.450 -7.249 -9.249 1.00 0.00 H new ATOM 826 N GLU A 59 4.706 -7.057 -7.243 1.00 0.00 N ATOM 827 CA GLU A 59 4.356 -6.454 -5.960 1.00 0.00 C ATOM 828 C GLU A 59 3.141 -7.132 -5.330 1.00 0.00 C ATOM 829 O GLU A 59 3.286 -7.972 -4.441 1.00 0.00 O ATOM 830 CB GLU A 59 4.104 -4.955 -6.124 1.00 0.00 C ATOM 831 CG GLU A 59 4.828 -4.108 -5.094 1.00 0.00 C ATOM 832 CD GLU A 59 5.822 -3.148 -5.718 1.00 0.00 C ATOM 833 OE1 GLU A 59 6.192 -3.358 -6.892 1.00 0.00 O ATOM 834 OE2 GLU A 59 6.228 -2.185 -5.034 1.00 0.00 O ATOM 0 H GLU A 59 4.923 -6.386 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 59 5.201 -6.599 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.418 -4.648 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.033 -4.764 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.097 -3.542 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.350 -4.761 -4.395 1.00 0.00 H new ATOM 841 N PHE A 60 1.945 -6.756 -5.777 1.00 0.00 N ATOM 842 CA PHE A 60 0.713 -7.323 -5.237 1.00 0.00 C ATOM 843 C PHE A 60 0.886 -8.782 -4.823 1.00 0.00 C ATOM 844 O PHE A 60 1.019 -9.087 -3.641 1.00 0.00 O ATOM 845 CB PHE A 60 -0.421 -7.206 -6.254 1.00 0.00 C ATOM 846 CG PHE A 60 -1.756 -7.597 -5.689 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.064 -7.328 -4.366 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.698 -8.236 -6.478 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.288 -7.686 -3.837 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.926 -8.598 -5.955 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.222 -8.321 -4.633 1.00 0.00 C ATOM 0 H PHE A 60 1.803 -6.062 -6.511 1.00 0.00 H new ATOM 0 HA PHE A 60 0.462 -6.750 -4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.472 -6.179 -6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.197 -7.837 -7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.337 -6.832 -3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.471 -8.454 -7.511 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.515 -7.470 -2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.653 -9.097 -6.579 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.181 -8.600 -4.223 1.00 0.00 H new ATOM 861 N THR A 61 0.865 -9.682 -5.798 1.00 0.00 N ATOM 862 CA THR A 61 1.000 -11.112 -5.525 1.00 0.00 C ATOM 863 C THR A 61 1.996 -11.384 -4.397 1.00 0.00 C ATOM 864 O THR A 61 1.881 -12.386 -3.692 1.00 0.00 O ATOM 865 CB THR A 61 1.432 -11.855 -6.790 1.00 0.00 C ATOM 866 OG1 THR A 61 1.234 -13.249 -6.644 1.00 0.00 O ATOM 867 CG2 THR A 61 2.883 -11.632 -7.147 1.00 0.00 C ATOM 0 H THR A 61 0.756 -9.450 -6.785 1.00 0.00 H new ATOM 0 HA THR A 61 0.024 -11.477 -5.205 1.00 0.00 H new ATOM 0 HB THR A 61 0.812 -11.450 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.515 -13.707 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.124 -12.187 -8.054 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.057 -10.569 -7.315 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.516 -11.979 -6.330 1.00 0.00 H new ATOM 875 N GLU A 62 2.974 -10.499 -4.232 1.00 0.00 N ATOM 876 CA GLU A 62 3.984 -10.667 -3.190 1.00 0.00 C ATOM 877 C GLU A 62 3.484 -10.167 -1.837 1.00 0.00 C ATOM 878 O GLU A 62 3.856 -10.702 -0.792 1.00 0.00 O ATOM 879 CB GLU A 62 5.269 -9.925 -3.567 1.00 0.00 C ATOM 880 CG GLU A 62 5.926 -10.445 -4.835 1.00 0.00 C ATOM 881 CD GLU A 62 7.113 -11.346 -4.551 1.00 0.00 C ATOM 882 OE1 GLU A 62 6.950 -12.315 -3.781 1.00 0.00 O ATOM 883 OE2 GLU A 62 8.202 -11.082 -5.101 1.00 0.00 O ATOM 0 H GLU A 62 3.090 -9.662 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 62 4.191 -11.734 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.043 -8.866 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.978 -10.003 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.190 -10.994 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.253 -9.601 -5.443 1.00 0.00 H new ATOM 890 N MET A 63 2.654 -9.130 -1.861 1.00 0.00 N ATOM 891 CA MET A 63 2.120 -8.551 -0.634 1.00 0.00 C ATOM 892 C MET A 63 0.818 -9.227 -0.206 1.00 0.00 C ATOM 893 O MET A 63 0.586 -9.440 0.985 1.00 0.00 O ATOM 894 CB MET A 63 1.894 -7.049 -0.821 1.00 0.00 C ATOM 895 CG MET A 63 0.600 -6.709 -1.540 1.00 0.00 C ATOM 896 SD MET A 63 0.694 -5.157 -2.458 1.00 0.00 S ATOM 897 CE MET A 63 2.159 -4.412 -1.745 1.00 0.00 C ATOM 0 H MET A 63 2.337 -8.673 -2.716 1.00 0.00 H new ATOM 0 HA MET A 63 2.852 -8.715 0.156 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.893 -6.567 0.156 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.731 -6.632 -1.382 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.349 -7.517 -2.227 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.209 -6.646 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.272 -3.396 -2.124 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.062 -4.386 -0.660 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.035 -5.000 -2.017 1.00 0.00 H new ATOM 907 N CYS A 64 -0.030 -9.554 -1.175 1.00 0.00 N ATOM 908 CA CYS A 64 -1.307 -10.197 -0.884 1.00 0.00 C ATOM 909 C CYS A 64 -1.460 -11.498 -1.665 1.00 0.00 C ATOM 910 O CYS A 64 -1.640 -11.487 -2.884 1.00 0.00 O ATOM 911 CB CYS A 64 -2.461 -9.251 -1.219 1.00 0.00 C ATOM 912 SG CYS A 64 -3.789 -9.225 0.027 1.00 0.00 S ATOM 0 H CYS A 64 0.143 -9.385 -2.166 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.330 -10.433 0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.067 -8.241 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.886 -9.540 -2.181 1.00 0.00 H new ATOM 917 N PRO A 65 -1.396 -12.641 -0.966 1.00 0.00 N ATOM 918 CA PRO A 65 -1.532 -13.960 -1.587 1.00 0.00 C ATOM 919 C PRO A 65 -2.981 -14.293 -1.927 1.00 0.00 C ATOM 920 O PRO A 65 -3.258 -14.955 -2.927 1.00 0.00 O ATOM 921 CB PRO A 65 -1.005 -14.904 -0.508 1.00 0.00 C ATOM 922 CG PRO A 65 -1.307 -14.209 0.774 1.00 0.00 C ATOM 923 CD PRO A 65 -1.188 -12.734 0.491 1.00 0.00 C ATOM 0 HA PRO A 65 -0.997 -14.027 -2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.495 -15.876 -0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.065 -15.080 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.308 -14.458 1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.610 -14.513 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.934 -12.159 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.211 -12.348 0.782 1.00 0.00 H new ATOM 931 N LYS A 66 -3.901 -13.829 -1.087 1.00 0.00 N ATOM 932 CA LYS A 66 -5.323 -14.076 -1.296 1.00 0.00 C ATOM 933 C LYS A 66 -5.806 -13.413 -2.583 1.00 0.00 C ATOM 934 O LYS A 66 -6.022 -14.081 -3.594 1.00 0.00 O ATOM 935 CB LYS A 66 -6.135 -13.556 -0.108 1.00 0.00 C ATOM 936 CG LYS A 66 -7.162 -14.551 0.408 1.00 0.00 C ATOM 937 CD LYS A 66 -6.870 -14.960 1.844 1.00 0.00 C ATOM 938 CE LYS A 66 -8.119 -15.472 2.541 1.00 0.00 C ATOM 939 NZ LYS A 66 -9.108 -14.385 2.781 1.00 0.00 N ATOM 0 H LYS A 66 -3.687 -13.280 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.469 -15.153 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.453 -13.297 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.645 -12.638 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.158 -14.111 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.166 -15.435 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.103 -15.734 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.470 -14.107 2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.578 -16.253 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.843 -15.928 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.747 -14.661 3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.607 -13.511 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.662 -14.222 1.916 1.00 0.00 H new ATOM 953 N GLY A 67 -5.974 -12.096 -2.535 1.00 0.00 N ATOM 954 CA GLY A 67 -6.432 -11.363 -3.700 1.00 0.00 C ATOM 955 C GLY A 67 -6.884 -9.957 -3.359 1.00 0.00 C ATOM 956 O GLY A 67 -6.811 -9.538 -2.204 1.00 0.00 O ATOM 0 H GLY A 67 -5.801 -11.523 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.628 -11.315 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.256 -11.904 -4.165 1.00 0.00 H new ATOM 960 N LYS A 68 -7.350 -9.227 -4.366 1.00 0.00 N ATOM 961 CA LYS A 68 -7.816 -7.859 -4.166 1.00 0.00 C ATOM 962 C LYS A 68 -8.727 -7.767 -2.946 1.00 0.00 C ATOM 963 O LYS A 68 -9.343 -8.755 -2.543 1.00 0.00 O ATOM 964 CB LYS A 68 -8.557 -7.364 -5.410 1.00 0.00 C ATOM 965 CG LYS A 68 -8.993 -5.911 -5.321 1.00 0.00 C ATOM 966 CD LYS A 68 -10.125 -5.609 -6.288 1.00 0.00 C ATOM 967 CE LYS A 68 -9.805 -6.102 -7.691 1.00 0.00 C ATOM 968 NZ LYS A 68 -8.898 -5.167 -8.413 1.00 0.00 N ATOM 0 H LYS A 68 -7.415 -9.559 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.945 -7.226 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.912 -7.488 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.435 -7.989 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.313 -5.688 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.145 -5.262 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.042 -6.081 -5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.308 -4.535 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.341 -7.086 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.730 -6.219 -8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.704 -5.538 -9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.351 -4.234 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.005 -5.075 -7.888 1.00 0.00 H new ATOM 982 N GLY A 69 -8.809 -6.576 -2.362 1.00 0.00 N ATOM 983 CA GLY A 69 -9.648 -6.379 -1.195 1.00 0.00 C ATOM 984 C GLY A 69 -9.535 -7.520 -0.205 1.00 0.00 C ATOM 985 O GLY A 69 -10.321 -8.466 -0.246 1.00 0.00 O ATOM 0 H GLY A 69 -8.309 -5.744 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.370 -5.446 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.686 -6.276 -1.510 1.00 0.00 H new ATOM 989 N PHE A 70 -8.553 -7.434 0.685 1.00 0.00 N ATOM 990 CA PHE A 70 -8.338 -8.469 1.687 1.00 0.00 C ATOM 991 C PHE A 70 -9.191 -8.217 2.925 1.00 0.00 C ATOM 992 O PHE A 70 -9.881 -9.116 3.409 1.00 0.00 O ATOM 993 CB PHE A 70 -6.856 -8.539 2.070 1.00 0.00 C ATOM 994 CG PHE A 70 -6.606 -9.134 3.428 1.00 0.00 C ATOM 995 CD1 PHE A 70 -7.393 -10.173 3.899 1.00 0.00 C ATOM 996 CD2 PHE A 70 -5.587 -8.652 4.233 1.00 0.00 C ATOM 997 CE1 PHE A 70 -7.167 -10.721 5.149 1.00 0.00 C ATOM 998 CE2 PHE A 70 -5.356 -9.196 5.483 1.00 0.00 C ATOM 999 CZ PHE A 70 -6.147 -10.230 5.941 1.00 0.00 C ATOM 0 H PHE A 70 -7.893 -6.658 0.732 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.637 -9.425 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.325 -9.128 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.435 -7.534 2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.192 -10.559 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.966 -7.842 3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.787 -11.531 5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.557 -8.812 6.100 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.969 -10.655 6.918 1.00 0.00 H new ATOM 1009 N VAL A 71 -9.135 -6.996 3.438 1.00 0.00 N ATOM 1010 CA VAL A 71 -9.899 -6.631 4.624 1.00 0.00 C ATOM 1011 C VAL A 71 -11.247 -6.017 4.246 1.00 0.00 C ATOM 1012 O VAL A 71 -12.288 -6.398 4.781 1.00 0.00 O ATOM 1013 CB VAL A 71 -9.090 -5.675 5.553 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -7.678 -5.460 5.023 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -9.789 -4.330 5.758 1.00 0.00 C ATOM 0 H VAL A 71 -8.569 -6.241 3.052 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.092 -7.547 5.182 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.031 -6.164 6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.137 -4.789 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.159 -6.417 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.726 -5.019 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.185 -3.702 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.915 -3.835 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.766 -4.493 6.213 1.00 0.00 H new ATOM 1025 N PRO A 72 -11.235 -5.048 3.324 1.00 0.00 N ATOM 1026 CA PRO A 72 -12.425 -4.356 2.866 1.00 0.00 C ATOM 1027 C PRO A 72 -12.967 -4.928 1.557 1.00 0.00 C ATOM 1028 O PRO A 72 -13.838 -5.797 1.563 1.00 0.00 O ATOM 1029 CB PRO A 72 -11.896 -2.936 2.660 1.00 0.00 C ATOM 1030 CG PRO A 72 -10.428 -3.092 2.362 1.00 0.00 C ATOM 1031 CD PRO A 72 -10.050 -4.526 2.653 1.00 0.00 C ATOM 0 HA PRO A 72 -13.260 -4.435 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.413 -2.440 1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.053 -2.326 3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.221 -2.846 1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.839 -2.409 2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.827 -5.078 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.166 -4.590 3.288 1.00 0.00 H new ATOM 1039 N ALA A 73 -12.444 -4.433 0.438 1.00 0.00 N ATOM 1040 CA ALA A 73 -12.871 -4.890 -0.878 1.00 0.00 C ATOM 1041 C ALA A 73 -12.252 -4.032 -1.976 1.00 0.00 C ATOM 1042 O ALA A 73 -12.887 -3.756 -2.995 1.00 0.00 O ATOM 1043 CB ALA A 73 -14.388 -4.869 -0.980 1.00 0.00 C ATOM 0 H ALA A 73 -11.722 -3.713 0.419 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.527 -5.916 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.691 -5.213 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.813 -5.526 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.749 -3.853 -0.823 1.00 0.00 H new ATOM 1049 N GLY A 74 -11.010 -3.611 -1.760 1.00 0.00 N ATOM 1050 CA GLY A 74 -10.325 -2.786 -2.738 1.00 0.00 C ATOM 1051 C GLY A 74 -10.619 -1.310 -2.557 1.00 0.00 C ATOM 1052 O GLY A 74 -10.789 -0.579 -3.533 1.00 0.00 O ATOM 0 H GLY A 74 -10.466 -3.827 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.250 -2.952 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.623 -3.093 -3.741 1.00 0.00 H new ATOM 1056 N GLU A 75 -10.679 -0.870 -1.304 1.00 0.00 N ATOM 1057 CA GLU A 75 -10.954 0.529 -0.997 1.00 0.00 C ATOM 1058 C GLU A 75 -10.049 1.028 0.125 1.00 0.00 C ATOM 1059 O GLU A 75 -9.478 0.181 0.844 1.00 0.00 O ATOM 1060 CB GLU A 75 -12.421 0.709 -0.602 1.00 0.00 C ATOM 1061 CG GLU A 75 -12.803 -0.026 0.672 1.00 0.00 C ATOM 1062 CD GLU A 75 -14.171 0.372 1.187 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -15.180 -0.074 0.602 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -14.234 1.132 2.176 1.00 0.00 O ATOM 1065 OXT GLU A 75 -9.919 2.261 0.276 1.00 0.00 O ATOM 0 H GLU A 75 -10.541 -1.462 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.752 1.117 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.626 1.772 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.054 0.358 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.787 -1.100 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.057 0.175 1.441 1.00 0.00 H new TER 1072 GLU A 75