USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 415 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 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0.0907 USER MOD Single : A 1 ALA N :NH3+ -126:sc= 0.124 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -93:sc= 1.29 USER MOD Single : A 10 SER OG : rot -80:sc= 1.08 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.296 K(o=-0.3,f=-3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -160:sc= -0.175 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -140:sc= 0.23 USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= 1.22 (180deg=1.08) USER MOD Single : A 62 LYS NZ :NH3+ -141:sc= 1.25 (180deg=-0.0584) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 1.22 K(o=1.2,f=-0.077) USER MOD Single : A 71 SER OG : rot 180:sc= 0.148 USER MOD Single : A 76 ASN : amide:sc= 1.15 K(o=1.1,f=-0.3) USER MOD Single : A 79 ASN : amide:sc= 0.768 K(o=0.77,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.674 6.889 7.306 1.00 0.00 N ATOM 2 CA ALA A 1 -8.629 6.006 6.740 1.00 0.00 C ATOM 3 C ALA A 1 -9.206 4.630 6.431 1.00 0.00 C ATOM 4 O ALA A 1 -10.421 4.434 6.476 1.00 0.00 O ATOM 5 CB ALA A 1 -7.454 5.884 7.706 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.725 7.767 6.751 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.594 6.404 7.272 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.439 7.117 8.293 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.269 6.448 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.695 5.232 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.026 6.870 7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.801 5.463 8.650 1.00 0.00 H new ATOM 13 N THR A 2 -8.342 3.682 6.112 1.00 0.00 N ATOM 14 CA THR A 2 -8.767 2.316 5.879 1.00 0.00 C ATOM 15 C THR A 2 -8.428 1.445 7.083 1.00 0.00 C ATOM 16 O THR A 2 -7.278 1.052 7.275 1.00 0.00 O ATOM 17 CB THR A 2 -8.110 1.733 4.615 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.879 2.778 3.656 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.991 0.658 3.997 1.00 0.00 C ATOM 0 H THR A 2 -7.339 3.836 6.009 1.00 0.00 H new ATOM 0 HA THR A 2 -9.847 2.325 5.731 1.00 0.00 H new ATOM 0 HB THR A 2 -7.158 1.284 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.459 2.400 2.855 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.507 0.260 3.105 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.143 -0.146 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.955 1.089 3.725 1.00 0.00 H new ATOM 27 N THR A 3 -9.426 1.168 7.904 1.00 0.00 N ATOM 28 CA THR A 3 -9.226 0.376 9.103 1.00 0.00 C ATOM 29 C THR A 3 -9.167 -1.108 8.771 1.00 0.00 C ATOM 30 O THR A 3 -10.074 -1.654 8.132 1.00 0.00 O ATOM 31 CB THR A 3 -10.353 0.631 10.117 1.00 0.00 C ATOM 32 OG1 THR A 3 -11.008 1.872 9.804 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.803 0.681 11.535 1.00 0.00 C ATOM 0 H THR A 3 -10.386 1.482 7.761 1.00 0.00 H new ATOM 0 HA THR A 3 -8.275 0.677 9.543 1.00 0.00 H new ATOM 0 HB THR A 3 -11.070 -0.188 10.056 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.728 2.034 10.449 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.618 0.862 12.235 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.325 -0.269 11.773 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.072 1.485 11.613 1.00 0.00 H new ATOM 41 N ILE A 4 -8.090 -1.755 9.189 1.00 0.00 N ATOM 42 CA ILE A 4 -7.921 -3.179 8.955 1.00 0.00 C ATOM 43 C ILE A 4 -8.597 -3.978 10.064 1.00 0.00 C ATOM 44 O ILE A 4 -7.975 -4.319 11.069 1.00 0.00 O ATOM 45 CB ILE A 4 -6.427 -3.566 8.860 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.696 -2.619 7.904 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.277 -5.010 8.396 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.204 -2.529 8.147 1.00 0.00 C ATOM 0 H ILE A 4 -7.320 -1.315 9.692 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.390 -3.417 8.000 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.981 -3.476 9.851 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.868 -2.950 6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.129 -1.623 7.994 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.219 -5.265 8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.769 -5.674 9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.735 -5.126 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.760 -1.839 7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.021 -2.168 9.159 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.756 -3.515 8.027 1.00 0.00 H new ATOM 60 N GLY A 5 -9.887 -4.232 9.886 1.00 0.00 N ATOM 61 CA GLY A 5 -10.628 -5.035 10.837 1.00 0.00 C ATOM 62 C GLY A 5 -10.247 -6.500 10.753 1.00 0.00 C ATOM 63 O GLY A 5 -9.568 -6.903 9.809 1.00 0.00 O ATOM 0 H GLY A 5 -10.435 -3.894 9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.441 -4.668 11.846 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.696 -4.926 10.651 1.00 0.00 H new ATOM 67 N PRO A 6 -10.689 -7.327 11.711 1.00 0.00 N ATOM 68 CA PRO A 6 -10.293 -8.740 11.782 1.00 0.00 C ATOM 69 C PRO A 6 -10.724 -9.544 10.557 1.00 0.00 C ATOM 70 O PRO A 6 -9.956 -10.348 10.031 1.00 0.00 O ATOM 71 CB PRO A 6 -11.010 -9.259 13.033 1.00 0.00 C ATOM 72 CG PRO A 6 -12.118 -8.291 13.272 1.00 0.00 C ATOM 73 CD PRO A 6 -11.608 -6.960 12.803 1.00 0.00 C ATOM 0 HA PRO A 6 -9.208 -8.843 11.818 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.393 -10.268 12.878 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.333 -9.303 13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.015 -8.581 12.725 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.386 -8.257 14.328 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.416 -6.318 12.453 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.095 -6.420 13.599 1.00 0.00 H new ATOM 81 N ASN A 7 -11.947 -9.319 10.094 1.00 0.00 N ATOM 82 CA ASN A 7 -12.493 -10.107 8.996 1.00 0.00 C ATOM 83 C ASN A 7 -12.509 -9.324 7.691 1.00 0.00 C ATOM 84 O ASN A 7 -13.393 -9.517 6.856 1.00 0.00 O ATOM 85 CB ASN A 7 -13.903 -10.595 9.335 1.00 0.00 C ATOM 86 CG ASN A 7 -13.917 -12.048 9.762 1.00 0.00 C ATOM 87 OD1 ASN A 7 -14.554 -12.891 9.131 1.00 0.00 O ATOM 88 ND2 ASN A 7 -13.208 -12.352 10.838 1.00 0.00 N ATOM 0 H ASN A 7 -12.576 -8.603 10.458 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.840 -10.969 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.317 -9.979 10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.549 -10.467 8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.176 -13.315 11.172 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.694 -11.623 11.333 1.00 0.00 H new ATOM 95 N THR A 8 -11.522 -8.453 7.511 1.00 0.00 N ATOM 96 CA THR A 8 -11.403 -7.674 6.285 1.00 0.00 C ATOM 97 C THR A 8 -11.150 -8.595 5.098 1.00 0.00 C ATOM 98 O THR A 8 -11.927 -8.641 4.144 1.00 0.00 O ATOM 99 CB THR A 8 -10.248 -6.665 6.378 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.214 -7.193 7.221 1.00 0.00 O ATOM 101 CG2 THR A 8 -10.730 -5.332 6.923 1.00 0.00 C ATOM 0 H THR A 8 -10.792 -8.269 8.200 1.00 0.00 H new ATOM 0 HA THR A 8 -12.340 -7.134 6.148 1.00 0.00 H new ATOM 0 HB THR A 8 -9.854 -6.499 5.376 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.351 -6.882 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.892 -4.637 6.978 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.496 -4.925 6.263 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.148 -5.476 7.919 1.00 0.00 H new ATOM 109 N CYS A 9 -10.058 -9.339 5.179 1.00 0.00 N ATOM 110 CA CYS A 9 -9.702 -10.287 4.141 1.00 0.00 C ATOM 111 C CYS A 9 -10.421 -11.613 4.372 1.00 0.00 C ATOM 112 O CYS A 9 -9.812 -12.609 4.757 1.00 0.00 O ATOM 113 CB CYS A 9 -8.185 -10.495 4.106 1.00 0.00 C ATOM 114 SG CYS A 9 -7.561 -11.188 2.539 1.00 0.00 S ATOM 0 H CYS A 9 -9.401 -9.302 5.958 1.00 0.00 H new ATOM 0 HA CYS A 9 -10.015 -9.886 3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.694 -9.539 4.288 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -7.902 -11.159 4.922 1.00 0.00 H new ATOM 119 N SER A 10 -11.728 -11.611 4.142 1.00 0.00 N ATOM 120 CA SER A 10 -12.533 -12.814 4.284 1.00 0.00 C ATOM 121 C SER A 10 -12.443 -13.670 3.020 1.00 0.00 C ATOM 122 O SER A 10 -13.164 -14.654 2.861 1.00 0.00 O ATOM 123 CB SER A 10 -13.983 -12.422 4.571 1.00 0.00 C ATOM 124 OG SER A 10 -14.125 -11.007 4.605 1.00 0.00 O ATOM 0 H SER A 10 -12.253 -10.785 3.855 1.00 0.00 H new ATOM 0 HA SER A 10 -12.153 -13.406 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.636 -12.839 3.805 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.298 -12.847 5.524 1.00 0.00 H new ATOM 0 HG SER A 10 -13.834 -10.670 5.478 1.00 0.00 H new ATOM 130 N ILE A 11 -11.536 -13.278 2.129 1.00 0.00 N ATOM 131 CA ILE A 11 -11.297 -13.992 0.883 1.00 0.00 C ATOM 132 C ILE A 11 -10.736 -15.385 1.167 1.00 0.00 C ATOM 133 O ILE A 11 -10.259 -15.639 2.274 1.00 0.00 O ATOM 134 CB ILE A 11 -10.313 -13.209 -0.025 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.540 -11.699 0.119 1.00 0.00 C ATOM 136 CG2 ILE A 11 -10.467 -13.634 -1.484 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.733 -10.861 -0.850 1.00 0.00 C ATOM 0 H ILE A 11 -10.947 -12.455 2.253 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.250 -14.087 0.363 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.296 -13.441 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.599 -11.485 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.291 -11.400 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.767 -13.072 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.258 -14.700 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.486 -13.434 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.949 -9.805 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.670 -11.043 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.998 -11.130 -1.872 1.00 0.00 H new ATOM 149 N ASP A 12 -10.828 -16.260 0.157 1.00 0.00 N ATOM 150 CA ASP A 12 -10.368 -17.662 0.202 1.00 0.00 C ATOM 151 C ASP A 12 -9.371 -17.948 1.323 1.00 0.00 C ATOM 152 O ASP A 12 -9.753 -18.399 2.403 1.00 0.00 O ATOM 153 CB ASP A 12 -9.728 -18.014 -1.140 1.00 0.00 C ATOM 154 CG ASP A 12 -9.954 -19.455 -1.539 1.00 0.00 C ATOM 155 OD1 ASP A 12 -11.099 -19.805 -1.897 1.00 0.00 O ATOM 156 OD2 ASP A 12 -8.985 -20.240 -1.527 1.00 0.00 O ATOM 0 H ASP A 12 -11.236 -16.008 -0.743 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.246 -18.276 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.133 -17.360 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.657 -17.820 -1.088 1.00 0.00 H new ATOM 161 N ASP A 13 -8.101 -17.689 1.057 1.00 0.00 N ATOM 162 CA ASP A 13 -7.048 -17.873 2.047 1.00 0.00 C ATOM 163 C ASP A 13 -5.938 -16.868 1.790 1.00 0.00 C ATOM 164 O ASP A 13 -4.977 -17.153 1.073 1.00 0.00 O ATOM 165 CB ASP A 13 -6.498 -19.301 1.993 1.00 0.00 C ATOM 166 CG ASP A 13 -5.587 -19.623 3.163 1.00 0.00 C ATOM 167 OD1 ASP A 13 -6.096 -20.050 4.219 1.00 0.00 O ATOM 168 OD2 ASP A 13 -4.356 -19.479 3.022 1.00 0.00 O ATOM 0 H ASP A 13 -7.770 -17.347 0.155 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.461 -17.710 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.329 -20.006 1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.949 -19.439 1.062 1.00 0.00 H new ATOM 173 N TYR A 14 -6.089 -15.681 2.355 1.00 0.00 N ATOM 174 CA TYR A 14 -5.180 -14.584 2.069 1.00 0.00 C ATOM 175 C TYR A 14 -4.886 -13.780 3.324 1.00 0.00 C ATOM 176 O TYR A 14 -5.567 -13.922 4.342 1.00 0.00 O ATOM 177 CB TYR A 14 -5.787 -13.666 1.004 1.00 0.00 C ATOM 178 CG TYR A 14 -5.566 -14.148 -0.409 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.315 -14.057 -0.997 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.602 -14.706 -1.149 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.096 -14.510 -2.281 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.393 -15.158 -2.437 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.137 -15.059 -2.998 1.00 0.00 C ATOM 184 OH TYR A 14 -4.918 -15.516 -4.279 1.00 0.00 O ATOM 0 H TYR A 14 -6.833 -15.453 3.015 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.245 -15.006 1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.858 -13.574 1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.359 -12.669 1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.497 -13.624 -0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.585 -14.787 -0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.113 -14.435 -2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.208 -15.586 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.753 -15.874 -4.646 1.00 0.00 H new ATOM 194 N LYS A 15 -3.866 -12.944 3.248 1.00 0.00 N ATOM 195 CA LYS A 15 -3.530 -12.044 4.339 1.00 0.00 C ATOM 196 C LYS A 15 -3.676 -10.605 3.873 1.00 0.00 C ATOM 197 O LYS A 15 -3.359 -10.292 2.723 1.00 0.00 O ATOM 198 CB LYS A 15 -2.096 -12.287 4.825 1.00 0.00 C ATOM 199 CG LYS A 15 -1.733 -13.753 4.975 1.00 0.00 C ATOM 200 CD LYS A 15 -0.246 -13.983 4.750 1.00 0.00 C ATOM 201 CE LYS A 15 0.438 -14.505 6.006 1.00 0.00 C ATOM 202 NZ LYS A 15 0.445 -15.989 6.050 1.00 0.00 N ATOM 0 H LYS A 15 -3.252 -12.869 2.437 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.211 -12.234 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.403 -11.822 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.960 -11.790 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.009 -14.098 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.306 -14.346 4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.107 -14.695 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.224 -13.050 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.463 -14.135 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.073 -14.117 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.919 -16.308 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.533 -16.341 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.955 -16.358 5.222 1.00 0.00 H new ATOM 216 N PRO A 16 -4.165 -9.714 4.744 1.00 0.00 N ATOM 217 CA PRO A 16 -4.292 -8.294 4.428 1.00 0.00 C ATOM 218 C PRO A 16 -2.930 -7.617 4.370 1.00 0.00 C ATOM 219 O PRO A 16 -2.150 -7.697 5.314 1.00 0.00 O ATOM 220 CB PRO A 16 -5.123 -7.721 5.584 1.00 0.00 C ATOM 221 CG PRO A 16 -5.618 -8.901 6.353 1.00 0.00 C ATOM 222 CD PRO A 16 -4.639 -10.009 6.099 1.00 0.00 C ATOM 0 HA PRO A 16 -4.753 -8.133 3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.518 -7.069 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.953 -7.122 5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.680 -8.673 7.417 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.619 -9.185 6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.824 -10.004 6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.112 -10.989 6.158 1.00 0.00 H new ATOM 230 N TYR A 17 -2.642 -6.973 3.255 1.00 0.00 N ATOM 231 CA TYR A 17 -1.366 -6.313 3.062 1.00 0.00 C ATOM 232 C TYR A 17 -1.568 -4.839 2.778 1.00 0.00 C ATOM 233 O TYR A 17 -2.372 -4.465 1.923 1.00 0.00 O ATOM 234 CB TYR A 17 -0.605 -6.945 1.896 1.00 0.00 C ATOM 235 CG TYR A 17 0.209 -8.160 2.271 1.00 0.00 C ATOM 236 CD1 TYR A 17 -0.396 -9.285 2.810 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.581 -8.189 2.067 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.338 -10.401 3.139 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.326 -9.303 2.391 1.00 0.00 C ATOM 240 CZ TYR A 17 1.700 -10.408 2.927 1.00 0.00 C ATOM 241 OH TYR A 17 2.438 -11.524 3.254 1.00 0.00 O ATOM 0 H TYR A 17 -3.281 -6.893 2.464 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.787 -6.430 3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.318 -7.225 1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.059 -6.197 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.463 -9.285 2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.074 -7.324 1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.150 -11.267 3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.393 -9.310 2.226 1.00 0.00 H new ATOM 0 HH TYR A 17 3.382 -11.366 3.041 1.00 0.00 H new ATOM 251 N CYS A 18 -0.839 -4.003 3.489 1.00 0.00 N ATOM 252 CA CYS A 18 -0.866 -2.579 3.225 1.00 0.00 C ATOM 253 C CYS A 18 0.270 -2.224 2.277 1.00 0.00 C ATOM 254 O CYS A 18 1.445 -2.351 2.626 1.00 0.00 O ATOM 255 CB CYS A 18 -0.762 -1.779 4.528 1.00 0.00 C ATOM 256 SG CYS A 18 -2.365 -1.463 5.331 1.00 0.00 S ATOM 0 H CYS A 18 -0.223 -4.284 4.252 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.816 -2.319 2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.119 -2.318 5.223 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.277 -0.825 4.319 1.00 0.00 H new ATOM 261 N CYS A 19 -0.084 -1.817 1.070 1.00 0.00 N ATOM 262 CA CYS A 19 0.898 -1.456 0.063 1.00 0.00 C ATOM 263 C CYS A 19 0.460 -0.192 -0.658 1.00 0.00 C ATOM 264 O CYS A 19 -0.700 0.209 -0.567 1.00 0.00 O ATOM 265 CB CYS A 19 1.068 -2.600 -0.944 1.00 0.00 C ATOM 266 SG CYS A 19 2.779 -2.846 -1.522 1.00 0.00 S ATOM 0 H CYS A 19 -1.052 -1.728 0.762 1.00 0.00 H new ATOM 0 HA CYS A 19 1.854 -1.274 0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.715 -3.525 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.430 -2.406 -1.807 1.00 0.00 H new ATOM 271 N GLN A 20 1.379 0.443 -1.361 1.00 0.00 N ATOM 272 CA GLN A 20 1.044 1.623 -2.131 1.00 0.00 C ATOM 273 C GLN A 20 0.881 1.265 -3.603 1.00 0.00 C ATOM 274 O GLN A 20 1.860 1.009 -4.305 1.00 0.00 O ATOM 275 CB GLN A 20 2.127 2.693 -1.968 1.00 0.00 C ATOM 276 CG GLN A 20 1.958 3.552 -0.723 1.00 0.00 C ATOM 277 CD GLN A 20 3.036 3.304 0.316 1.00 0.00 C ATOM 278 OE1 GLN A 20 3.996 2.567 0.073 1.00 0.00 O ATOM 279 NE2 GLN A 20 2.897 3.921 1.479 1.00 0.00 N ATOM 0 H GLN A 20 2.358 0.162 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 20 0.100 2.021 -1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.102 2.207 -1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.123 3.338 -2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.971 4.604 -1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.982 3.354 -0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.090 4.523 1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.597 3.795 2.210 1.00 0.00 H new ATOM 288 N SER A 21 -0.360 1.232 -4.064 1.00 0.00 N ATOM 289 CA SER A 21 -0.637 0.993 -5.470 1.00 0.00 C ATOM 290 C SER A 21 -0.514 2.302 -6.243 1.00 0.00 C ATOM 291 O SER A 21 -1.446 3.107 -6.284 1.00 0.00 O ATOM 292 CB SER A 21 -2.033 0.385 -5.647 1.00 0.00 C ATOM 293 OG SER A 21 -2.027 -0.998 -5.327 1.00 0.00 O ATOM 0 H SER A 21 -1.189 1.368 -3.485 1.00 0.00 H new ATOM 0 HA SER A 21 0.090 0.282 -5.863 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.745 0.907 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.367 0.523 -6.675 1.00 0.00 H new ATOM 0 HG SER A 21 -2.928 -1.365 -5.445 1.00 0.00 H new ATOM 569 N SER A 42 7.503 -7.356 -8.704 1.00 0.00 N ATOM 570 CA SER A 42 7.705 -6.145 -7.918 1.00 0.00 C ATOM 571 C SER A 42 6.598 -5.976 -6.884 1.00 0.00 C ATOM 572 O SER A 42 5.526 -5.459 -7.200 1.00 0.00 O ATOM 573 CB SER A 42 7.736 -4.918 -8.830 1.00 0.00 C ATOM 574 OG SER A 42 8.942 -4.867 -9.573 1.00 0.00 O ATOM 0 HA SER A 42 8.660 -6.238 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.886 -4.946 -9.512 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.635 -4.013 -8.231 1.00 0.00 H new ATOM 0 HG SER A 42 8.938 -4.075 -10.150 1.00 0.00 H new ATOM 580 N LEU A 43 6.861 -6.408 -5.659 1.00 0.00 N ATOM 581 CA LEU A 43 5.908 -6.249 -4.569 1.00 0.00 C ATOM 582 C LEU A 43 6.616 -6.342 -3.226 1.00 0.00 C ATOM 583 O LEU A 43 7.041 -7.418 -2.804 1.00 0.00 O ATOM 584 CB LEU A 43 4.786 -7.294 -4.644 1.00 0.00 C ATOM 585 CG LEU A 43 3.430 -6.779 -5.154 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.288 -7.473 -4.430 1.00 0.00 C ATOM 587 CD2 LEU A 43 3.322 -5.265 -4.992 1.00 0.00 C ATOM 0 H LEU A 43 7.729 -6.873 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 43 5.457 -5.262 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.113 -8.106 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.643 -7.719 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 43 3.361 -7.012 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.337 -7.095 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.346 -8.547 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.361 -7.275 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.353 -4.928 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.420 -5.004 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.115 -4.781 -5.561 1.00 0.00 H new ATOM 599 N GLY A 44 6.753 -5.207 -2.568 1.00 0.00 N ATOM 600 CA GLY A 44 7.350 -5.180 -1.253 1.00 0.00 C ATOM 601 C GLY A 44 6.426 -4.540 -0.244 1.00 0.00 C ATOM 602 O GLY A 44 6.502 -3.334 0.000 1.00 0.00 O ATOM 0 H GLY A 44 6.460 -4.297 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.588 -6.196 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.290 -4.629 -1.289 1.00 0.00 H new ATOM 606 N CYS A 45 5.553 -5.344 0.341 1.00 0.00 N ATOM 607 CA CYS A 45 4.556 -4.842 1.273 1.00 0.00 C ATOM 608 C CYS A 45 4.582 -5.632 2.570 1.00 0.00 C ATOM 609 O CYS A 45 5.209 -6.683 2.654 1.00 0.00 O ATOM 610 CB CYS A 45 3.164 -4.920 0.656 1.00 0.00 C ATOM 611 SG CYS A 45 3.139 -4.810 -1.165 1.00 0.00 S ATOM 0 H CYS A 45 5.515 -6.351 0.186 1.00 0.00 H new ATOM 0 HA CYS A 45 4.795 -3.801 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.698 -5.858 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.553 -4.115 1.065 1.00 0.00 H new ATOM 616 N VAL A 46 3.886 -5.120 3.574 1.00 0.00 N ATOM 617 CA VAL A 46 3.818 -5.777 4.866 1.00 0.00 C ATOM 618 C VAL A 46 2.381 -6.132 5.210 1.00 0.00 C ATOM 619 O VAL A 46 1.443 -5.551 4.656 1.00 0.00 O ATOM 620 CB VAL A 46 4.394 -4.895 5.995 1.00 0.00 C ATOM 621 CG1 VAL A 46 5.875 -5.174 6.185 1.00 0.00 C ATOM 622 CG2 VAL A 46 4.148 -3.420 5.713 1.00 0.00 C ATOM 0 H VAL A 46 3.359 -4.248 3.516 1.00 0.00 H new ATOM 0 HA VAL A 46 4.420 -6.682 4.789 1.00 0.00 H new ATOM 0 HB VAL A 46 3.878 -5.146 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.264 -4.544 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.017 -6.222 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.408 -4.956 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.563 -2.820 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.628 -3.144 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.076 -3.238 5.639 1.00 0.00 H new ATOM 632 N VAL A 47 2.216 -7.094 6.108 1.00 0.00 N ATOM 633 CA VAL A 47 0.898 -7.486 6.584 1.00 0.00 C ATOM 634 C VAL A 47 0.260 -6.346 7.364 1.00 0.00 C ATOM 635 O VAL A 47 0.941 -5.622 8.090 1.00 0.00 O ATOM 636 CB VAL A 47 0.958 -8.742 7.482 1.00 0.00 C ATOM 637 CG1 VAL A 47 -0.185 -9.683 7.150 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.293 -9.459 7.333 1.00 0.00 C ATOM 0 H VAL A 47 2.985 -7.620 6.523 1.00 0.00 H new ATOM 0 HA VAL A 47 0.296 -7.722 5.706 1.00 0.00 H new ATOM 0 HB VAL A 47 0.860 -8.421 8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.129 -10.563 7.791 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.135 -9.174 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.113 -9.989 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.307 -10.339 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.428 -9.766 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.101 -8.786 7.620 1.00 0.00 H new ATOM 648 N GLY A 48 -1.042 -6.183 7.195 1.00 0.00 N ATOM 649 CA GLY A 48 -1.754 -5.119 7.860 1.00 0.00 C ATOM 650 C GLY A 48 -1.996 -5.414 9.321 1.00 0.00 C ATOM 651 O GLY A 48 -2.175 -6.572 9.709 1.00 0.00 O ATOM 0 H GLY A 48 -1.622 -6.777 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.187 -4.193 7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.710 -4.958 7.361 1.00 0.00 H new ATOM 655 N VAL A 49 -1.996 -4.371 10.135 1.00 0.00 N ATOM 656 CA VAL A 49 -2.212 -4.519 11.565 1.00 0.00 C ATOM 657 C VAL A 49 -3.702 -4.519 11.884 1.00 0.00 C ATOM 658 O VAL A 49 -4.413 -3.554 11.593 1.00 0.00 O ATOM 659 CB VAL A 49 -1.520 -3.400 12.373 1.00 0.00 C ATOM 660 CG1 VAL A 49 -1.294 -3.841 13.810 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.201 -2.993 11.729 1.00 0.00 C ATOM 0 H VAL A 49 -1.848 -3.409 9.828 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.772 -5.473 11.855 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.178 -2.531 12.374 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.805 -3.039 14.364 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.253 -4.071 14.275 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.662 -4.729 13.823 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.264 -2.204 12.320 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.465 -3.855 11.687 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.387 -2.629 10.719 1.00 0.00 H new ATOM 671 N ILE A 50 -4.166 -5.600 12.488 1.00 0.00 N ATOM 672 CA ILE A 50 -5.575 -5.760 12.797 1.00 0.00 C ATOM 673 C ILE A 50 -6.005 -4.773 13.878 1.00 0.00 C ATOM 674 O ILE A 50 -5.430 -4.732 14.967 1.00 0.00 O ATOM 675 CB ILE A 50 -5.892 -7.201 13.251 1.00 0.00 C ATOM 676 CG1 ILE A 50 -5.433 -8.202 12.189 1.00 0.00 C ATOM 677 CG2 ILE A 50 -7.379 -7.361 13.524 1.00 0.00 C ATOM 678 CD1 ILE A 50 -4.814 -9.458 12.764 1.00 0.00 C ATOM 0 H ILE A 50 -3.581 -6.385 12.776 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.134 -5.556 11.884 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.351 -7.400 14.176 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.287 -8.479 11.570 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.709 -7.717 11.534 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.582 -8.383 13.843 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.681 -6.669 14.310 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.941 -7.146 12.615 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.513 -10.120 11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.940 -9.193 13.359 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.543 -9.967 13.395 1.00 0.00 H new ATOM 690 N GLY A 51 -7.006 -3.965 13.556 1.00 0.00 N ATOM 691 CA GLY A 51 -7.501 -2.978 14.491 1.00 0.00 C ATOM 692 C GLY A 51 -6.807 -1.643 14.329 1.00 0.00 C ATOM 693 O GLY A 51 -7.066 -0.703 15.084 1.00 0.00 O ATOM 0 H GLY A 51 -7.486 -3.977 12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.574 -2.848 14.347 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.358 -3.340 15.509 1.00 0.00 H new ATOM 697 N SER A 52 -5.927 -1.552 13.343 1.00 0.00 N ATOM 698 CA SER A 52 -5.202 -0.319 13.085 1.00 0.00 C ATOM 699 C SER A 52 -5.705 0.351 11.809 1.00 0.00 C ATOM 700 O SER A 52 -6.347 -0.284 10.968 1.00 0.00 O ATOM 701 CB SER A 52 -3.705 -0.598 12.988 1.00 0.00 C ATOM 702 OG SER A 52 -3.248 -1.287 14.139 1.00 0.00 O ATOM 0 H SER A 52 -5.698 -2.318 12.709 1.00 0.00 H new ATOM 0 HA SER A 52 -5.378 0.363 13.917 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.498 -1.191 12.097 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.161 0.341 12.880 1.00 0.00 H new ATOM 0 HG SER A 52 -2.277 -1.182 14.219 1.00 0.00 H new ATOM 708 N GLN A 53 -5.427 1.639 11.683 1.00 0.00 N ATOM 709 CA GLN A 53 -5.838 2.401 10.517 1.00 0.00 C ATOM 710 C GLN A 53 -4.699 2.498 9.511 1.00 0.00 C ATOM 711 O GLN A 53 -3.581 2.888 9.853 1.00 0.00 O ATOM 712 CB GLN A 53 -6.295 3.799 10.929 1.00 0.00 C ATOM 713 CG GLN A 53 -7.698 3.831 11.515 1.00 0.00 C ATOM 714 CD GLN A 53 -7.713 4.287 12.961 1.00 0.00 C ATOM 715 OE1 GLN A 53 -7.568 5.473 13.250 1.00 0.00 O ATOM 716 NE2 GLN A 53 -7.890 3.351 13.880 1.00 0.00 N ATOM 0 H GLN A 53 -4.915 2.180 12.379 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.673 1.882 10.047 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.595 4.200 11.662 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.258 4.456 10.060 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.321 4.499 10.920 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.140 2.837 11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.007 2.377 13.600 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.910 3.604 14.868 1.00 0.00 H new ATOM 725 N CYS A 54 -4.987 2.137 8.273 1.00 0.00 N ATOM 726 CA CYS A 54 -4.004 2.192 7.205 1.00 0.00 C ATOM 727 C CYS A 54 -4.333 3.327 6.241 1.00 0.00 C ATOM 728 O CYS A 54 -5.500 3.555 5.913 1.00 0.00 O ATOM 729 CB CYS A 54 -3.968 0.858 6.455 1.00 0.00 C ATOM 730 SG CYS A 54 -2.420 0.555 5.541 1.00 0.00 S ATOM 0 H CYS A 54 -5.904 1.799 7.980 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.023 2.378 7.642 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.119 0.049 7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.803 0.825 5.755 1.00 0.00 H new ATOM 735 N GLY A 55 -3.308 4.050 5.812 1.00 0.00 N ATOM 736 CA GLY A 55 -3.498 5.106 4.835 1.00 0.00 C ATOM 737 C GLY A 55 -3.096 4.668 3.441 1.00 0.00 C ATOM 738 O GLY A 55 -2.961 5.488 2.534 1.00 0.00 O ATOM 0 H GLY A 55 -2.345 3.924 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.544 5.413 4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.911 5.978 5.125 1.00 0.00 H new ATOM 742 N ALA A 56 -2.901 3.368 3.272 1.00 0.00 N ATOM 743 CA ALA A 56 -2.504 2.817 1.988 1.00 0.00 C ATOM 744 C ALA A 56 -3.585 1.892 1.442 1.00 0.00 C ATOM 745 O ALA A 56 -4.602 1.655 2.097 1.00 0.00 O ATOM 746 CB ALA A 56 -1.183 2.075 2.123 1.00 0.00 C ATOM 0 H ALA A 56 -3.012 2.675 4.012 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.373 3.638 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.895 1.666 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.413 2.764 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.294 1.263 2.841 1.00 0.00 H new ATOM 752 N SER A 57 -3.358 1.369 0.245 1.00 0.00 N ATOM 753 CA SER A 57 -4.309 0.479 -0.393 1.00 0.00 C ATOM 754 C SER A 57 -4.167 -0.935 0.166 1.00 0.00 C ATOM 755 O SER A 57 -3.113 -1.566 0.032 1.00 0.00 O ATOM 756 CB SER A 57 -4.078 0.486 -1.905 1.00 0.00 C ATOM 757 OG SER A 57 -3.019 1.370 -2.244 1.00 0.00 O ATOM 0 H SER A 57 -2.517 1.549 -0.304 1.00 0.00 H new ATOM 0 HA SER A 57 -5.322 0.825 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.842 -0.522 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.991 0.790 -2.417 1.00 0.00 H new ATOM 0 HG SER A 57 -3.248 1.855 -3.064 1.00 0.00 H new ATOM 763 N VAL A 58 -5.222 -1.421 0.808 1.00 0.00 N ATOM 764 CA VAL A 58 -5.204 -2.742 1.420 1.00 0.00 C ATOM 765 C VAL A 58 -5.565 -3.822 0.411 1.00 0.00 C ATOM 766 O VAL A 58 -6.696 -3.890 -0.078 1.00 0.00 O ATOM 767 CB VAL A 58 -6.164 -2.835 2.626 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.458 -2.412 3.903 1.00 0.00 C ATOM 769 CG2 VAL A 58 -7.415 -2.001 2.395 1.00 0.00 C ATOM 0 H VAL A 58 -6.103 -0.918 0.918 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.186 -2.902 1.774 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.473 -3.875 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.150 -2.484 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.604 -3.065 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.113 -1.383 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.073 -2.085 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.135 -0.957 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.934 -2.362 1.507 1.00 0.00 H new ATOM 779 N LYS A 59 -4.591 -4.657 0.102 1.00 0.00 N ATOM 780 CA LYS A 59 -4.782 -5.775 -0.806 1.00 0.00 C ATOM 781 C LYS A 59 -4.591 -7.075 -0.044 1.00 0.00 C ATOM 782 O LYS A 59 -4.179 -7.060 1.112 1.00 0.00 O ATOM 783 CB LYS A 59 -3.807 -5.696 -1.983 1.00 0.00 C ATOM 784 CG LYS A 59 -2.346 -5.868 -1.594 1.00 0.00 C ATOM 785 CD LYS A 59 -1.471 -6.105 -2.815 1.00 0.00 C ATOM 786 CE LYS A 59 -1.653 -5.005 -3.849 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.297 -5.457 -5.219 1.00 0.00 N ATOM 0 H LYS A 59 -3.644 -4.580 0.473 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.793 -5.736 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.070 -6.463 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.929 -4.732 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.002 -4.979 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.248 -6.707 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.425 -6.152 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.718 -7.069 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.689 -4.666 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.035 -4.149 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.074 -4.631 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.469 -6.084 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.099 -5.973 -5.634 1.00 0.00 H new ATOM 801 N CYS A 60 -4.897 -8.191 -0.672 1.00 0.00 N ATOM 802 CA CYS A 60 -4.761 -9.475 -0.009 1.00 0.00 C ATOM 803 C CYS A 60 -3.741 -10.330 -0.739 1.00 0.00 C ATOM 804 O CYS A 60 -3.904 -10.637 -1.920 1.00 0.00 O ATOM 805 CB CYS A 60 -6.112 -10.185 0.072 1.00 0.00 C ATOM 806 SG CYS A 60 -7.198 -9.555 1.393 1.00 0.00 S ATOM 0 H CYS A 60 -5.239 -8.238 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.409 -9.310 1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.623 -10.083 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.943 -11.250 0.231 1.00 0.00 H new ATOM 811 N CYS A 61 -2.687 -10.704 -0.040 1.00 0.00 N ATOM 812 CA CYS A 61 -1.609 -11.445 -0.657 1.00 0.00 C ATOM 813 C CYS A 61 -1.288 -12.711 0.122 1.00 0.00 C ATOM 814 O CYS A 61 -1.422 -12.765 1.345 1.00 0.00 O ATOM 815 CB CYS A 61 -0.358 -10.569 -0.773 1.00 0.00 C ATOM 816 SG CYS A 61 0.395 -10.568 -2.434 1.00 0.00 S ATOM 0 H CYS A 61 -2.556 -10.507 0.952 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.936 -11.736 -1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.617 -9.546 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.382 -10.912 -0.050 1.00 0.00 H new ATOM 821 N LYS A 62 -0.903 -13.731 -0.618 1.00 0.00 N ATOM 822 CA LYS A 62 -0.416 -14.972 -0.065 1.00 0.00 C ATOM 823 C LYS A 62 0.784 -15.412 -0.884 1.00 0.00 C ATOM 824 O LYS A 62 0.753 -15.384 -2.119 1.00 0.00 O ATOM 825 CB LYS A 62 -1.502 -16.044 -0.089 1.00 0.00 C ATOM 826 CG LYS A 62 -1.742 -16.699 1.262 1.00 0.00 C ATOM 827 CD LYS A 62 -1.339 -18.167 1.256 1.00 0.00 C ATOM 828 CE LYS A 62 -2.031 -18.935 0.137 1.00 0.00 C ATOM 829 NZ LYS A 62 -3.298 -19.557 0.590 1.00 0.00 N ATOM 0 H LYS A 62 -0.921 -13.717 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.129 -14.825 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.433 -15.598 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.227 -16.812 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.176 -16.170 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.796 -16.612 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.258 -18.248 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.590 -18.618 2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.236 -18.259 -0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.362 -19.709 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.397 -20.498 0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.288 -19.651 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.100 -18.959 0.304 1.00 0.00 H new ATOM 843 N ASP A 63 1.841 -15.799 -0.210 1.00 0.00 N ATOM 844 CA ASP A 63 3.097 -16.070 -0.882 1.00 0.00 C ATOM 845 C ASP A 63 4.003 -16.926 -0.016 1.00 0.00 C ATOM 846 O ASP A 63 3.606 -17.375 1.060 1.00 0.00 O ATOM 847 CB ASP A 63 3.794 -14.751 -1.219 1.00 0.00 C ATOM 848 CG ASP A 63 4.534 -14.807 -2.534 1.00 0.00 C ATOM 849 OD1 ASP A 63 5.557 -15.516 -2.610 1.00 0.00 O ATOM 850 OD2 ASP A 63 4.108 -14.128 -3.487 1.00 0.00 O ATOM 0 H ASP A 63 1.860 -15.934 0.801 1.00 0.00 H new ATOM 0 HA ASP A 63 2.887 -16.618 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.054 -13.952 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.494 -14.500 -0.422 1.00 0.00 H new ATOM 855 N ASP A 64 5.220 -17.133 -0.489 1.00 0.00 N ATOM 856 CA ASP A 64 6.208 -17.910 0.240 1.00 0.00 C ATOM 857 C ASP A 64 6.827 -17.049 1.332 1.00 0.00 C ATOM 858 O ASP A 64 6.515 -17.223 2.509 1.00 0.00 O ATOM 859 CB ASP A 64 7.287 -18.416 -0.722 1.00 0.00 C ATOM 860 CG ASP A 64 8.479 -19.028 -0.012 1.00 0.00 C ATOM 861 OD1 ASP A 64 8.272 -19.836 0.915 1.00 0.00 O ATOM 862 OD2 ASP A 64 9.627 -18.714 -0.396 1.00 0.00 O ATOM 0 H ASP A 64 5.550 -16.770 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 64 5.726 -18.772 0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.850 -19.158 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.628 -17.588 -1.344 1.00 0.00 H new ATOM 867 N VAL A 65 7.667 -16.103 0.908 1.00 0.00 N ATOM 868 CA VAL A 65 8.311 -15.132 1.799 1.00 0.00 C ATOM 869 C VAL A 65 8.933 -15.779 3.030 1.00 0.00 C ATOM 870 O VAL A 65 8.277 -15.977 4.054 1.00 0.00 O ATOM 871 CB VAL A 65 7.345 -14.040 2.281 1.00 0.00 C ATOM 872 CG1 VAL A 65 8.122 -12.799 2.679 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.301 -13.709 1.225 1.00 0.00 C ATOM 0 H VAL A 65 7.923 -15.987 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 65 9.095 -14.686 1.188 1.00 0.00 H new ATOM 0 HB VAL A 65 6.813 -14.419 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.429 -12.030 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.814 -13.046 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.681 -12.429 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.636 -12.932 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.797 -13.354 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.721 -14.603 0.994 1.00 0.00 H new ATOM 883 N THR A 66 10.201 -16.078 2.932 1.00 0.00 N ATOM 884 CA THR A 66 10.933 -16.602 4.062 1.00 0.00 C ATOM 885 C THR A 66 11.414 -15.443 4.937 1.00 0.00 C ATOM 886 O THR A 66 11.832 -14.396 4.436 1.00 0.00 O ATOM 887 CB THR A 66 12.118 -17.478 3.603 1.00 0.00 C ATOM 888 OG1 THR A 66 12.605 -18.275 4.694 1.00 0.00 O ATOM 889 CG2 THR A 66 13.242 -16.630 3.032 1.00 0.00 C ATOM 0 H THR A 66 10.752 -15.969 2.081 1.00 0.00 H new ATOM 0 HA THR A 66 10.270 -17.239 4.647 1.00 0.00 H new ATOM 0 HB THR A 66 11.758 -18.139 2.814 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.355 -18.826 4.387 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.062 -17.276 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.874 -16.068 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.598 -15.937 3.794 1.00 0.00 H new ATOM 897 N ASN A 67 11.321 -15.622 6.241 1.00 0.00 N ATOM 898 CA ASN A 67 11.673 -14.566 7.182 1.00 0.00 C ATOM 899 C ASN A 67 12.802 -15.024 8.091 1.00 0.00 C ATOM 900 O ASN A 67 12.656 -15.078 9.316 1.00 0.00 O ATOM 901 CB ASN A 67 10.450 -14.171 8.011 1.00 0.00 C ATOM 902 CG ASN A 67 10.087 -12.704 7.854 1.00 0.00 C ATOM 903 OD1 ASN A 67 9.243 -12.346 7.035 1.00 0.00 O ATOM 904 ND2 ASN A 67 10.717 -11.846 8.642 1.00 0.00 N ATOM 0 H ASN A 67 11.005 -16.488 6.677 1.00 0.00 H new ATOM 0 HA ASN A 67 12.012 -13.695 6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.600 -14.786 7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.644 -14.383 9.062 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.508 -10.850 8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.411 -12.182 9.309 1.00 0.00 H new ATOM 911 N THR A 68 13.928 -15.358 7.484 1.00 0.00 N ATOM 912 CA THR A 68 15.078 -15.844 8.221 1.00 0.00 C ATOM 913 C THR A 68 15.859 -14.703 8.856 1.00 0.00 C ATOM 914 O THR A 68 16.287 -14.793 10.006 1.00 0.00 O ATOM 915 CB THR A 68 16.000 -16.650 7.294 1.00 0.00 C ATOM 916 OG1 THR A 68 15.488 -16.601 5.953 1.00 0.00 O ATOM 917 CG2 THR A 68 16.100 -18.096 7.752 1.00 0.00 C ATOM 0 H THR A 68 14.069 -15.300 6.475 1.00 0.00 H new ATOM 0 HA THR A 68 14.710 -16.488 9.019 1.00 0.00 H new ATOM 0 HB THR A 68 16.997 -16.211 7.326 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.076 -17.113 5.359 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.758 -18.646 7.080 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.504 -18.130 8.764 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.109 -18.550 7.742 1.00 0.00 H new ATOM 925 N GLY A 69 16.028 -13.633 8.106 1.00 0.00 N ATOM 926 CA GLY A 69 16.756 -12.486 8.610 1.00 0.00 C ATOM 927 C GLY A 69 16.602 -11.263 7.731 1.00 0.00 C ATOM 928 O GLY A 69 17.591 -10.708 7.248 1.00 0.00 O ATOM 0 H GLY A 69 15.675 -13.533 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.406 -12.252 9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.813 -12.739 8.691 1.00 0.00 H new ATOM 932 N ASN A 70 15.363 -10.841 7.516 1.00 0.00 N ATOM 933 CA ASN A 70 15.089 -9.652 6.728 1.00 0.00 C ATOM 934 C ASN A 70 14.171 -8.715 7.496 1.00 0.00 C ATOM 935 O ASN A 70 13.234 -9.165 8.156 1.00 0.00 O ATOM 936 CB ASN A 70 14.460 -10.032 5.390 1.00 0.00 C ATOM 937 CG ASN A 70 14.894 -9.099 4.283 1.00 0.00 C ATOM 938 OD1 ASN A 70 16.071 -9.046 3.928 1.00 0.00 O ATOM 939 ND2 ASN A 70 13.952 -8.352 3.739 1.00 0.00 N ATOM 0 H ASN A 70 14.531 -11.307 7.878 1.00 0.00 H new ATOM 0 HA ASN A 70 16.031 -9.139 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.738 -11.054 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.374 -10.010 5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.187 -7.698 2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.988 -8.429 4.065 1.00 0.00 H new ATOM 946 N SER A 71 14.443 -7.417 7.411 1.00 0.00 N ATOM 947 CA SER A 71 13.709 -6.414 8.178 1.00 0.00 C ATOM 948 C SER A 71 12.216 -6.426 7.842 1.00 0.00 C ATOM 949 O SER A 71 11.369 -6.342 8.733 1.00 0.00 O ATOM 950 CB SER A 71 14.304 -5.035 7.909 1.00 0.00 C ATOM 951 OG SER A 71 15.240 -5.095 6.844 1.00 0.00 O ATOM 0 H SER A 71 15.174 -7.031 6.813 1.00 0.00 H new ATOM 0 HA SER A 71 13.804 -6.655 9.237 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.509 -4.331 7.662 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.792 -4.662 8.809 1.00 0.00 H new ATOM 0 HG SER A 71 15.611 -4.202 6.684 1.00 0.00 H new ATOM 957 N PHE A 72 11.899 -6.539 6.560 1.00 0.00 N ATOM 958 CA PHE A 72 10.513 -6.598 6.126 1.00 0.00 C ATOM 959 C PHE A 72 10.337 -7.679 5.062 1.00 0.00 C ATOM 960 O PHE A 72 11.315 -8.137 4.466 1.00 0.00 O ATOM 961 CB PHE A 72 10.044 -5.213 5.639 1.00 0.00 C ATOM 962 CG PHE A 72 9.920 -5.058 4.152 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.043 -4.924 3.352 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.671 -5.035 3.558 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.918 -4.772 1.987 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.540 -4.883 2.198 1.00 0.00 C ATOM 967 CZ PHE A 72 9.665 -4.751 1.410 1.00 0.00 C ATOM 0 H PHE A 72 12.582 -6.591 5.804 1.00 0.00 H new ATOM 0 HA PHE A 72 9.881 -6.872 6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.076 -4.997 6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.743 -4.462 6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.025 -4.939 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.787 -5.138 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.799 -4.670 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.559 -4.867 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.565 -4.631 0.341 1.00 0.00 H new ATOM 977 N LEU A 73 9.097 -8.090 4.839 1.00 0.00 N ATOM 978 CA LEU A 73 8.803 -9.224 3.972 1.00 0.00 C ATOM 979 C LEU A 73 8.578 -8.790 2.527 1.00 0.00 C ATOM 980 O LEU A 73 7.812 -7.870 2.256 1.00 0.00 O ATOM 981 CB LEU A 73 7.570 -9.972 4.491 1.00 0.00 C ATOM 982 CG LEU A 73 6.521 -9.105 5.192 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.159 -9.292 4.544 1.00 0.00 C ATOM 984 CD2 LEU A 73 6.459 -9.439 6.675 1.00 0.00 C ATOM 0 H LEU A 73 8.272 -7.652 5.249 1.00 0.00 H new ATOM 0 HA LEU A 73 9.668 -9.887 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.095 -10.480 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.901 -10.745 5.185 1.00 0.00 H new ATOM 0 HG LEU A 73 6.811 -8.059 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.425 -8.669 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.213 -9.004 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.861 -10.338 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.708 -8.813 7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.192 -10.488 6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.432 -9.255 7.130 1.00 0.00 H new ATOM 996 N ILE A 74 9.252 -9.460 1.603 1.00 0.00 N ATOM 997 CA ILE A 74 9.072 -9.196 0.184 1.00 0.00 C ATOM 998 C ILE A 74 8.196 -10.279 -0.436 1.00 0.00 C ATOM 999 O ILE A 74 8.456 -11.471 -0.265 1.00 0.00 O ATOM 1000 CB ILE A 74 10.428 -9.124 -0.562 1.00 0.00 C ATOM 1001 CG1 ILE A 74 11.076 -7.759 -0.344 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.261 -9.391 -2.054 1.00 0.00 C ATOM 1003 CD1 ILE A 74 12.251 -7.795 0.602 1.00 0.00 C ATOM 0 H ILE A 74 9.930 -10.192 1.812 1.00 0.00 H new ATOM 0 HA ILE A 74 8.585 -8.226 0.084 1.00 0.00 H new ATOM 0 HB ILE A 74 11.075 -9.900 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.405 -7.364 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.328 -7.068 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.232 -9.332 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.840 -10.386 -2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.591 -8.646 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 74 12.662 -6.791 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 74 11.923 -8.160 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.018 -8.460 0.205 1.00 0.00 H new ATOM 1015 N ILE A 75 7.162 -9.864 -1.150 1.00 0.00 N ATOM 1016 CA ILE A 75 6.230 -10.799 -1.755 1.00 0.00 C ATOM 1017 C ILE A 75 6.588 -11.033 -3.218 1.00 0.00 C ATOM 1018 O ILE A 75 7.143 -10.156 -3.880 1.00 0.00 O ATOM 1019 CB ILE A 75 4.768 -10.302 -1.651 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.718 -8.821 -1.260 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.999 -11.139 -0.640 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.317 -8.284 -1.075 1.00 0.00 C ATOM 0 H ILE A 75 6.947 -8.882 -1.325 1.00 0.00 H new ATOM 0 HA ILE A 75 6.309 -11.737 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 75 4.301 -10.411 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.276 -8.681 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.223 -8.235 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.972 -10.779 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.999 -12.182 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.474 -11.056 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.365 -7.230 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.761 -8.391 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.814 -8.843 -0.286 1.00 0.00 H new ATOM 1034 N ASN A 76 6.277 -12.218 -3.715 1.00 0.00 N ATOM 1035 CA ASN A 76 6.579 -12.574 -5.093 1.00 0.00 C ATOM 1036 C ASN A 76 5.359 -12.331 -5.966 1.00 0.00 C ATOM 1037 O ASN A 76 5.400 -12.534 -7.181 1.00 0.00 O ATOM 1038 CB ASN A 76 7.003 -14.046 -5.185 1.00 0.00 C ATOM 1039 CG ASN A 76 8.246 -14.347 -4.366 1.00 0.00 C ATOM 1040 OD1 ASN A 76 9.366 -14.041 -4.774 1.00 0.00 O ATOM 1041 ND2 ASN A 76 8.056 -14.966 -3.211 1.00 0.00 N ATOM 0 H ASN A 76 5.813 -12.954 -3.183 1.00 0.00 H new ATOM 0 HA ASN A 76 7.402 -11.952 -5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.184 -14.678 -4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.188 -14.303 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.855 -15.206 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.111 -15.202 -2.908 1.00 0.00 H new ATOM 1048 N ALA A 77 4.270 -11.907 -5.319 1.00 0.00 N ATOM 1049 CA ALA A 77 3.000 -11.644 -5.988 1.00 0.00 C ATOM 1050 C ALA A 77 2.467 -12.915 -6.644 1.00 0.00 C ATOM 1051 O ALA A 77 1.790 -12.863 -7.674 1.00 0.00 O ATOM 1052 CB ALA A 77 3.141 -10.519 -7.011 1.00 0.00 C ATOM 0 H ALA A 77 4.248 -11.737 -4.314 1.00 0.00 H new ATOM 0 HA ALA A 77 2.281 -11.320 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.180 -10.344 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.465 -9.608 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.879 -10.801 -7.762 1.00 0.00 H new ATOM 1058 N ALA A 78 2.780 -14.056 -6.035 1.00 0.00 N ATOM 1059 CA ALA A 78 2.341 -15.345 -6.554 1.00 0.00 C ATOM 1060 C ALA A 78 0.835 -15.494 -6.408 1.00 0.00 C ATOM 1061 O ALA A 78 0.145 -15.904 -7.341 1.00 0.00 O ATOM 1062 CB ALA A 78 3.062 -16.480 -5.839 1.00 0.00 C ATOM 0 H ALA A 78 3.336 -14.112 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 78 2.589 -15.392 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.722 -17.436 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.137 -16.383 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.844 -16.435 -4.772 1.00 0.00 H new ATOM 1068 N ASN A 79 0.332 -15.167 -5.226 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.097 -15.180 -4.974 1.00 0.00 C ATOM 1070 C ASN A 79 -1.510 -13.835 -4.397 1.00 0.00 C ATOM 1071 O ASN A 79 -1.346 -13.593 -3.208 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.474 -16.303 -3.992 1.00 0.00 C ATOM 1073 CG ASN A 79 -0.722 -17.598 -4.237 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.229 -18.510 -4.890 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.489 -17.696 -3.711 1.00 0.00 N ATOM 0 H ASN A 79 0.898 -14.888 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.618 -15.362 -5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.279 -15.966 -2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.545 -16.494 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.034 -18.548 -3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.877 -16.919 -3.176 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.020 -12.948 -5.226 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.398 -11.627 -4.748 1.00 0.00 C ATOM 1084 C CYS A 80 -3.685 -11.144 -5.397 1.00 0.00 C ATOM 1085 O CYS A 80 -3.920 -11.358 -6.590 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.268 -10.622 -4.993 1.00 0.00 C ATOM 1087 SG CYS A 80 -0.926 -9.527 -3.574 1.00 0.00 S ATOM 0 H CYS A 80 -2.182 -13.110 -6.220 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.575 -11.704 -3.675 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.359 -11.168 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.522 -10.010 -5.858 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.534 -10.522 -4.594 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.761 -9.923 -5.087 1.00 0.00 C ATOM 1094 C VAL A 81 -5.680 -8.410 -4.978 1.00 0.00 C ATOM 1095 O VAL A 81 -5.366 -7.880 -3.906 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.014 -10.408 -4.325 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -8.123 -10.759 -5.301 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.693 -11.594 -3.433 1.00 0.00 C ATOM 0 H VAL A 81 -4.392 -10.419 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.861 -10.233 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.355 -9.594 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.999 -11.099 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.383 -9.878 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.784 -11.552 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.596 -11.911 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.318 -12.417 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.934 -11.307 -2.705 1.00 0.00 H new ATOM 1108 N ALA A 82 -5.956 -7.740 -6.090 1.00 0.00 N ATOM 1109 CA ALA A 82 -5.923 -6.277 -6.178 1.00 0.00 C ATOM 1110 C ALA A 82 -4.498 -5.744 -6.044 1.00 0.00 C ATOM 1111 O ALA A 82 -4.329 -4.522 -5.836 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.843 -5.648 -5.139 1.00 0.00 C ATOM 1113 OXT ALA A 82 -3.547 -6.546 -6.163 1.00 0.00 O ATOM 0 H ALA A 82 -6.212 -8.196 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.288 -5.996 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.800 -4.562 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.866 -5.986 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.522 -5.946 -4.141 1.00 0.00 H new