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= 0.14 USER MOD Set 1.2: A 70 ASN : amide:sc= 0.952 K(o=1.1,f=-0.082) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 1.05 USER MOD Set 2.2: A 57 SER OG : rot 121:sc= 1.22 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -151:sc= 2.33 (180deg=-0.116) USER MOD Set 3.2: A 17 TYR OH : rot -139:sc= 1.29 USER MOD Set 4.1: A 1 ALA N :NH3+ -179:sc= 1.25 (180deg=0) USER MOD Set 4.2: A 53 GLN : amide:sc= 1.09 K(o=2.3,f=-4.6) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00831 USER MOD Single : A 7 ASN : amide:sc= 0.0774 K(o=0.077,f=-2!) USER MOD Single : A 8 THR OG1 : rot -97:sc= 1.28 USER MOD Single : A 10 SER OG : rot 180:sc= 0.119 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00499 K(o=-0.005,f=-1.7) USER MOD Single : A 42 SER OG : rot 22:sc= 0.766 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -112:sc= 1.2 (180deg=0.506) USER MOD Single : A 67 ASN : amide:sc= 0.0205 X(o=0.02,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 76 ASN : amide:sc= 1.17 K(o=1.2,f=-0.069) USER MOD Single : A 79 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.282 6.456 7.485 1.00 0.00 N ATOM 2 CA ALA A 1 -8.642 5.609 6.452 1.00 0.00 C ATOM 3 C ALA A 1 -9.300 4.236 6.422 1.00 0.00 C ATOM 4 O ALA A 1 -10.334 4.027 7.057 1.00 0.00 O ATOM 5 CB ALA A 1 -7.150 5.482 6.722 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.838 7.396 7.487 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.296 6.552 7.276 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.162 6.015 8.419 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.775 6.080 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.693 4.857 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.692 6.471 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.995 5.027 7.700 1.00 0.00 H new ATOM 13 N THR A 2 -8.712 3.302 5.687 1.00 0.00 N ATOM 14 CA THR A 2 -9.243 1.951 5.609 1.00 0.00 C ATOM 15 C THR A 2 -8.733 1.108 6.773 1.00 0.00 C ATOM 16 O THR A 2 -7.544 0.809 6.858 1.00 0.00 O ATOM 17 CB THR A 2 -8.845 1.288 4.283 1.00 0.00 C ATOM 18 OG1 THR A 2 -8.571 2.302 3.308 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.951 0.375 3.776 1.00 0.00 C ATOM 0 H THR A 2 -7.867 3.457 5.137 1.00 0.00 H new ATOM 0 HA THR A 2 -10.330 2.014 5.662 1.00 0.00 H new ATOM 0 HB THR A 2 -7.954 0.684 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.315 1.881 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.643 -0.082 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.145 -0.405 4.512 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.859 0.957 3.617 1.00 0.00 H new ATOM 27 N THR A 3 -9.630 0.730 7.671 1.00 0.00 N ATOM 28 CA THR A 3 -9.251 -0.037 8.846 1.00 0.00 C ATOM 29 C THR A 3 -9.042 -1.505 8.498 1.00 0.00 C ATOM 30 O THR A 3 -9.925 -2.154 7.933 1.00 0.00 O ATOM 31 CB THR A 3 -10.322 0.076 9.943 1.00 0.00 C ATOM 32 OG1 THR A 3 -11.028 1.318 9.800 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.697 -0.007 11.328 1.00 0.00 C ATOM 0 H THR A 3 -10.626 0.942 7.608 1.00 0.00 H new ATOM 0 HA THR A 3 -8.313 0.378 9.216 1.00 0.00 H new ATOM 0 HB THR A 3 -11.017 -0.756 9.834 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.712 1.388 10.499 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.477 0.076 12.085 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.184 -0.962 11.439 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.982 0.806 11.454 1.00 0.00 H new ATOM 41 N ILE A 4 -7.868 -2.019 8.821 1.00 0.00 N ATOM 42 CA ILE A 4 -7.540 -3.404 8.535 1.00 0.00 C ATOM 43 C ILE A 4 -7.974 -4.298 9.688 1.00 0.00 C ATOM 44 O ILE A 4 -7.257 -4.451 10.672 1.00 0.00 O ATOM 45 CB ILE A 4 -6.029 -3.598 8.271 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.514 -2.536 7.294 1.00 0.00 C ATOM 47 CG2 ILE A 4 -5.762 -4.994 7.726 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.003 -2.439 7.240 1.00 0.00 C ATOM 0 H ILE A 4 -7.124 -1.496 9.283 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.079 -3.683 7.629 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.496 -3.485 9.215 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.891 -2.760 6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.922 -1.566 7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.694 -5.116 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.094 -5.737 8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.306 -5.130 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.713 -1.667 6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.619 -2.184 8.228 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.588 -3.397 6.926 1.00 0.00 H new ATOM 60 N GLY A 5 -9.169 -4.853 9.576 1.00 0.00 N ATOM 61 CA GLY A 5 -9.647 -5.787 10.570 1.00 0.00 C ATOM 62 C GLY A 5 -9.436 -7.221 10.127 1.00 0.00 C ATOM 63 O GLY A 5 -8.995 -7.456 9.003 1.00 0.00 O ATOM 0 H GLY A 5 -9.819 -4.672 8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.127 -5.615 11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.707 -5.614 10.754 1.00 0.00 H new ATOM 67 N PRO A 6 -9.747 -8.205 10.983 1.00 0.00 N ATOM 68 CA PRO A 6 -9.589 -9.625 10.644 1.00 0.00 C ATOM 69 C PRO A 6 -10.601 -10.078 9.596 1.00 0.00 C ATOM 70 O PRO A 6 -10.468 -11.141 8.993 1.00 0.00 O ATOM 71 CB PRO A 6 -9.834 -10.339 11.973 1.00 0.00 C ATOM 72 CG PRO A 6 -10.679 -9.398 12.767 1.00 0.00 C ATOM 73 CD PRO A 6 -10.271 -8.013 12.348 1.00 0.00 C ATOM 0 HA PRO A 6 -8.612 -9.838 10.210 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.340 -11.292 11.821 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.896 -10.554 12.484 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.738 -9.567 12.573 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.524 -9.543 13.836 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.116 -7.325 12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.514 -7.599 13.014 1.00 0.00 H new ATOM 81 N ASN A 7 -11.606 -9.245 9.381 1.00 0.00 N ATOM 82 CA ASN A 7 -12.663 -9.527 8.420 1.00 0.00 C ATOM 83 C ASN A 7 -12.431 -8.750 7.128 1.00 0.00 C ATOM 84 O ASN A 7 -13.362 -8.195 6.538 1.00 0.00 O ATOM 85 CB ASN A 7 -14.038 -9.169 9.009 1.00 0.00 C ATOM 86 CG ASN A 7 -13.986 -7.985 9.964 1.00 0.00 C ATOM 87 OD1 ASN A 7 -13.262 -7.014 9.738 1.00 0.00 O ATOM 88 ND2 ASN A 7 -14.750 -8.062 11.042 1.00 0.00 N ATOM 0 H ASN A 7 -11.713 -8.354 9.867 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.645 -10.594 8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.728 -8.943 8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.439 -10.036 9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.753 -7.301 11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.336 -8.883 11.194 1.00 0.00 H new ATOM 95 N THR A 8 -11.181 -8.704 6.695 1.00 0.00 N ATOM 96 CA THR A 8 -10.820 -7.993 5.483 1.00 0.00 C ATOM 97 C THR A 8 -10.915 -8.910 4.271 1.00 0.00 C ATOM 98 O THR A 8 -11.594 -8.606 3.291 1.00 0.00 O ATOM 99 CB THR A 8 -9.387 -7.448 5.577 1.00 0.00 C ATOM 100 OG1 THR A 8 -8.638 -8.232 6.519 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.387 -5.988 5.998 1.00 0.00 C ATOM 0 H THR A 8 -10.398 -9.154 7.169 1.00 0.00 H new ATOM 0 HA THR A 8 -11.519 -7.164 5.370 1.00 0.00 H new ATOM 0 HB THR A 8 -8.923 -7.516 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.637 -7.783 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.360 -5.626 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.938 -5.398 5.265 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.863 -5.891 6.974 1.00 0.00 H new ATOM 109 N CYS A 9 -10.231 -10.039 4.359 1.00 0.00 N ATOM 110 CA CYS A 9 -10.165 -10.979 3.254 1.00 0.00 C ATOM 111 C CYS A 9 -10.274 -12.410 3.765 1.00 0.00 C ATOM 112 O CYS A 9 -9.331 -13.198 3.656 1.00 0.00 O ATOM 113 CB CYS A 9 -8.857 -10.787 2.482 1.00 0.00 C ATOM 114 SG CYS A 9 -9.076 -10.164 0.783 1.00 0.00 S ATOM 0 H CYS A 9 -9.712 -10.327 5.188 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.002 -10.790 2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.222 -10.093 3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.329 -11.739 2.442 1.00 0.00 H new ATOM 119 N SER A 10 -11.425 -12.740 4.332 1.00 0.00 N ATOM 120 CA SER A 10 -11.679 -14.076 4.842 1.00 0.00 C ATOM 121 C SER A 10 -12.049 -15.027 3.703 1.00 0.00 C ATOM 122 O SER A 10 -13.181 -15.517 3.619 1.00 0.00 O ATOM 123 CB SER A 10 -12.795 -14.018 5.881 1.00 0.00 C ATOM 124 OG SER A 10 -13.273 -12.688 6.023 1.00 0.00 O ATOM 0 H SER A 10 -12.204 -12.092 4.450 1.00 0.00 H new ATOM 0 HA SER A 10 -10.773 -14.457 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.612 -14.675 5.583 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.427 -14.383 6.840 1.00 0.00 H new ATOM 0 HG SER A 10 -13.989 -12.667 6.691 1.00 0.00 H new ATOM 130 N ILE A 11 -11.090 -15.258 2.818 1.00 0.00 N ATOM 131 CA ILE A 11 -11.275 -16.168 1.697 1.00 0.00 C ATOM 132 C ILE A 11 -10.368 -17.388 1.857 1.00 0.00 C ATOM 133 O ILE A 11 -10.286 -17.964 2.943 1.00 0.00 O ATOM 134 CB ILE A 11 -10.990 -15.482 0.337 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.450 -14.058 0.535 1.00 0.00 C ATOM 136 CG2 ILE A 11 -12.252 -15.459 -0.512 1.00 0.00 C ATOM 137 CD1 ILE A 11 -10.083 -13.358 -0.755 1.00 0.00 C ATOM 0 H ILE A 11 -10.168 -14.823 2.856 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.320 -16.480 1.700 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.225 -16.060 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.200 -13.465 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.571 -14.099 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -12.040 -14.975 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.589 -16.480 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.032 -14.906 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.710 -12.358 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.310 -13.928 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.964 -13.283 -1.392 1.00 0.00 H new ATOM 149 N ASP A 12 -9.671 -17.760 0.791 1.00 0.00 N ATOM 150 CA ASP A 12 -8.802 -18.937 0.807 1.00 0.00 C ATOM 151 C ASP A 12 -7.475 -18.633 1.496 1.00 0.00 C ATOM 152 O ASP A 12 -6.428 -18.620 0.850 1.00 0.00 O ATOM 153 CB ASP A 12 -8.539 -19.417 -0.622 1.00 0.00 C ATOM 154 CG ASP A 12 -8.173 -20.887 -0.706 1.00 0.00 C ATOM 155 OD1 ASP A 12 -7.815 -21.488 0.330 1.00 0.00 O ATOM 156 OD2 ASP A 12 -8.239 -21.453 -1.821 1.00 0.00 O ATOM 0 H ASP A 12 -9.689 -17.264 -0.100 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.311 -19.721 1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.427 -19.236 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.733 -18.824 -1.054 1.00 0.00 H new ATOM 161 N ASP A 13 -7.546 -18.381 2.805 1.00 0.00 N ATOM 162 CA ASP A 13 -6.366 -18.105 3.636 1.00 0.00 C ATOM 163 C ASP A 13 -5.438 -17.088 2.974 1.00 0.00 C ATOM 164 O ASP A 13 -4.432 -17.445 2.366 1.00 0.00 O ATOM 165 CB ASP A 13 -5.601 -19.399 3.939 1.00 0.00 C ATOM 166 CG ASP A 13 -4.385 -19.159 4.815 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.478 -18.361 5.768 1.00 0.00 O ATOM 168 OD2 ASP A 13 -3.326 -19.769 4.548 1.00 0.00 O ATOM 0 H ASP A 13 -8.425 -18.362 3.322 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.721 -17.677 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.268 -20.105 4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.286 -19.860 3.003 1.00 0.00 H new ATOM 173 N TYR A 14 -5.781 -15.821 3.091 1.00 0.00 N ATOM 174 CA TYR A 14 -5.007 -14.774 2.448 1.00 0.00 C ATOM 175 C TYR A 14 -4.272 -13.933 3.477 1.00 0.00 C ATOM 176 O TYR A 14 -4.646 -13.902 4.650 1.00 0.00 O ATOM 177 CB TYR A 14 -5.923 -13.889 1.605 1.00 0.00 C ATOM 178 CG TYR A 14 -5.927 -14.263 0.143 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.886 -13.876 -0.688 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.967 -15.001 -0.404 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.877 -14.214 -2.023 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.966 -15.344 -1.741 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.921 -14.949 -2.548 1.00 0.00 C ATOM 184 OH TYR A 14 -5.923 -15.282 -3.881 1.00 0.00 O ATOM 0 H TYR A 14 -6.587 -15.491 3.622 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.267 -15.244 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.939 -13.955 1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.609 -12.850 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.068 -13.300 -0.281 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.788 -15.311 0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.058 -13.906 -2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.781 -15.920 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.728 -15.801 -4.087 1.00 0.00 H new ATOM 194 N LYS A 15 -3.215 -13.268 3.036 1.00 0.00 N ATOM 195 CA LYS A 15 -2.475 -12.363 3.895 1.00 0.00 C ATOM 196 C LYS A 15 -2.776 -10.922 3.507 1.00 0.00 C ATOM 197 O LYS A 15 -2.625 -10.538 2.346 1.00 0.00 O ATOM 198 CB LYS A 15 -0.970 -12.630 3.801 1.00 0.00 C ATOM 199 CG LYS A 15 -0.463 -13.654 4.801 1.00 0.00 C ATOM 200 CD LYS A 15 1.056 -13.695 4.832 1.00 0.00 C ATOM 201 CE LYS A 15 1.609 -14.574 3.722 1.00 0.00 C ATOM 202 NZ LYS A 15 2.921 -14.082 3.227 1.00 0.00 N ATOM 0 H LYS A 15 -2.852 -13.340 2.086 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.787 -12.531 4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.734 -12.973 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.435 -11.693 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.842 -13.413 5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.850 -14.640 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.451 -12.684 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.392 -14.072 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.719 -15.595 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.898 -14.606 2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.037 -14.347 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.960 -13.047 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.686 -14.507 3.789 1.00 0.00 H new ATOM 216 N PRO A 16 -3.232 -10.114 4.467 1.00 0.00 N ATOM 217 CA PRO A 16 -3.543 -8.710 4.244 1.00 0.00 C ATOM 218 C PRO A 16 -2.284 -7.854 4.265 1.00 0.00 C ATOM 219 O PRO A 16 -1.481 -7.943 5.194 1.00 0.00 O ATOM 220 CB PRO A 16 -4.464 -8.345 5.423 1.00 0.00 C ATOM 221 CG PRO A 16 -4.618 -9.597 6.238 1.00 0.00 C ATOM 222 CD PRO A 16 -3.476 -10.495 5.857 1.00 0.00 C ATOM 0 HA PRO A 16 -4.004 -8.537 3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.032 -7.542 6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.431 -7.991 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.595 -9.371 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.575 -10.078 6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.600 -10.328 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.739 -11.549 5.950 1.00 0.00 H new ATOM 230 N TYR A 17 -2.104 -7.042 3.240 1.00 0.00 N ATOM 231 CA TYR A 17 -0.936 -6.184 3.146 1.00 0.00 C ATOM 232 C TYR A 17 -1.348 -4.730 2.995 1.00 0.00 C ATOM 233 O TYR A 17 -2.213 -4.402 2.183 1.00 0.00 O ATOM 234 CB TYR A 17 -0.059 -6.588 1.961 1.00 0.00 C ATOM 235 CG TYR A 17 0.694 -7.884 2.157 1.00 0.00 C ATOM 236 CD1 TYR A 17 1.881 -7.919 2.879 1.00 0.00 C ATOM 237 CD2 TYR A 17 0.227 -9.067 1.602 1.00 0.00 C ATOM 238 CE1 TYR A 17 2.581 -9.099 3.038 1.00 0.00 C ATOM 239 CE2 TYR A 17 0.916 -10.252 1.762 1.00 0.00 C ATOM 240 CZ TYR A 17 2.094 -10.264 2.479 1.00 0.00 C ATOM 241 OH TYR A 17 2.790 -11.444 2.631 1.00 0.00 O ATOM 0 H TYR A 17 -2.754 -6.958 2.458 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.365 -6.300 4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.686 -6.676 1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.658 -5.791 1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.262 -7.011 3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.692 -9.060 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.505 -9.110 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.535 -11.165 1.328 1.00 0.00 H new ATOM 0 HH TYR A 17 2.775 -11.944 1.788 1.00 0.00 H new ATOM 251 N CYS A 18 -0.732 -3.866 3.776 1.00 0.00 N ATOM 252 CA CYS A 18 -0.965 -2.438 3.661 1.00 0.00 C ATOM 253 C CYS A 18 0.210 -1.799 2.947 1.00 0.00 C ATOM 254 O CYS A 18 1.332 -1.791 3.465 1.00 0.00 O ATOM 255 CB CYS A 18 -1.156 -1.807 5.043 1.00 0.00 C ATOM 256 SG CYS A 18 -1.143 0.017 5.045 1.00 0.00 S ATOM 0 H CYS A 18 -0.063 -4.128 4.500 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.876 -2.269 3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.102 -2.152 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.367 -2.165 5.705 1.00 0.00 H new ATOM 261 N CYS A 19 -0.025 -1.290 1.753 1.00 0.00 N ATOM 262 CA CYS A 19 1.041 -0.696 0.980 1.00 0.00 C ATOM 263 C CYS A 19 0.637 0.654 0.419 1.00 0.00 C ATOM 264 O CYS A 19 -0.393 0.789 -0.243 1.00 0.00 O ATOM 265 CB CYS A 19 1.468 -1.631 -0.152 1.00 0.00 C ATOM 266 SG CYS A 19 3.226 -2.106 -0.091 1.00 0.00 S ATOM 0 H CYS A 19 -0.940 -1.277 1.302 1.00 0.00 H new ATOM 0 HA CYS A 19 1.886 -0.541 1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.856 -2.533 -0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.265 -1.146 -1.107 1.00 0.00 H new ATOM 271 N GLN A 20 1.448 1.659 0.689 1.00 0.00 N ATOM 272 CA GLN A 20 1.218 2.981 0.138 1.00 0.00 C ATOM 273 C GLN A 20 1.728 3.027 -1.294 1.00 0.00 C ATOM 274 O GLN A 20 2.845 2.591 -1.578 1.00 0.00 O ATOM 275 CB GLN A 20 1.903 4.050 0.990 1.00 0.00 C ATOM 276 CG GLN A 20 0.998 4.660 2.053 1.00 0.00 C ATOM 277 CD GLN A 20 0.469 3.640 3.044 1.00 0.00 C ATOM 278 OE1 GLN A 20 -0.739 3.525 3.249 1.00 0.00 O ATOM 279 NE2 GLN A 20 1.367 2.893 3.669 1.00 0.00 N ATOM 0 H GLN A 20 2.272 1.585 1.286 1.00 0.00 H new ATOM 0 HA GLN A 20 0.148 3.188 0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.774 3.611 1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.268 4.843 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.550 5.429 2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.157 5.154 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.360 3.018 3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.065 2.193 4.347 1.00 0.00 H new ATOM 288 N SER A 21 0.889 3.500 -2.203 1.00 0.00 N ATOM 289 CA SER A 21 1.245 3.558 -3.614 1.00 0.00 C ATOM 290 C SER A 21 0.604 4.764 -4.296 1.00 0.00 C ATOM 291 O SER A 21 -0.616 4.820 -4.460 1.00 0.00 O ATOM 292 CB SER A 21 0.813 2.266 -4.320 1.00 0.00 C ATOM 293 OG SER A 21 0.426 1.272 -3.381 1.00 0.00 O ATOM 0 H SER A 21 -0.045 3.850 -1.989 1.00 0.00 H new ATOM 0 HA SER A 21 2.328 3.663 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.018 2.477 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.633 1.892 -4.933 1.00 0.00 H new ATOM 0 HG SER A 21 0.154 0.460 -3.858 1.00 0.00 H new ATOM 569 N SER A 42 6.856 -6.844 -8.161 1.00 0.00 N ATOM 570 CA SER A 42 7.287 -5.732 -7.334 1.00 0.00 C ATOM 571 C SER A 42 6.276 -5.463 -6.227 1.00 0.00 C ATOM 572 O SER A 42 5.326 -4.697 -6.409 1.00 0.00 O ATOM 573 CB SER A 42 7.471 -4.485 -8.195 1.00 0.00 C ATOM 574 OG SER A 42 7.443 -4.809 -9.579 1.00 0.00 O ATOM 0 HA SER A 42 8.240 -5.990 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.684 -3.765 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.419 -4.007 -7.950 1.00 0.00 H new ATOM 0 HG SER A 42 6.980 -5.663 -9.706 1.00 0.00 H new ATOM 580 N LEU A 43 6.487 -6.097 -5.083 1.00 0.00 N ATOM 581 CA LEU A 43 5.630 -5.900 -3.926 1.00 0.00 C ATOM 582 C LEU A 43 6.443 -5.996 -2.646 1.00 0.00 C ATOM 583 O LEU A 43 6.801 -7.087 -2.205 1.00 0.00 O ATOM 584 CB LEU A 43 4.505 -6.948 -3.904 1.00 0.00 C ATOM 585 CG LEU A 43 3.085 -6.419 -4.153 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.979 -4.941 -3.805 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.678 -6.656 -5.599 1.00 0.00 C ATOM 0 H LEU A 43 7.250 -6.757 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 43 5.186 -4.907 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.726 -7.705 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.520 -7.448 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 43 2.403 -6.966 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.962 -4.595 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.224 -4.796 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.675 -4.371 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.669 -6.276 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.371 -6.138 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.701 -7.725 -5.813 1.00 0.00 H new ATOM 599 N GLY A 44 6.737 -4.856 -2.058 1.00 0.00 N ATOM 600 CA GLY A 44 7.428 -4.831 -0.790 1.00 0.00 C ATOM 601 C GLY A 44 6.577 -4.183 0.276 1.00 0.00 C ATOM 602 O GLY A 44 6.575 -2.959 0.423 1.00 0.00 O ATOM 0 H GLY A 44 6.508 -3.937 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.682 -5.848 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.366 -4.285 -0.893 1.00 0.00 H new ATOM 606 N CYS A 45 5.849 -4.996 1.018 1.00 0.00 N ATOM 607 CA CYS A 45 4.882 -4.479 1.968 1.00 0.00 C ATOM 608 C CYS A 45 5.040 -5.137 3.330 1.00 0.00 C ATOM 609 O CYS A 45 5.948 -5.935 3.551 1.00 0.00 O ATOM 610 CB CYS A 45 3.465 -4.714 1.443 1.00 0.00 C ATOM 611 SG CYS A 45 3.186 -4.126 -0.261 1.00 0.00 S ATOM 0 H CYS A 45 5.908 -6.014 0.982 1.00 0.00 H new ATOM 0 HA CYS A 45 5.059 -3.410 2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.247 -5.781 1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.758 -4.217 2.106 1.00 0.00 H new ATOM 616 N VAL A 46 4.148 -4.788 4.243 1.00 0.00 N ATOM 617 CA VAL A 46 4.115 -5.396 5.560 1.00 0.00 C ATOM 618 C VAL A 46 2.714 -5.911 5.840 1.00 0.00 C ATOM 619 O VAL A 46 1.751 -5.472 5.197 1.00 0.00 O ATOM 620 CB VAL A 46 4.524 -4.400 6.666 1.00 0.00 C ATOM 621 CG1 VAL A 46 6.040 -4.363 6.826 1.00 0.00 C ATOM 622 CG2 VAL A 46 3.976 -3.007 6.371 1.00 0.00 C ATOM 0 H VAL A 46 3.431 -4.079 4.092 1.00 0.00 H new ATOM 0 HA VAL A 46 4.833 -6.216 5.568 1.00 0.00 H new ATOM 0 HB VAL A 46 4.092 -4.741 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.306 -3.655 7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.402 -5.355 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.498 -4.053 5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.277 -2.322 7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.371 -2.655 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.888 -3.047 6.320 1.00 0.00 H new ATOM 632 N VAL A 47 2.596 -6.833 6.785 1.00 0.00 N ATOM 633 CA VAL A 47 1.308 -7.423 7.113 1.00 0.00 C ATOM 634 C VAL A 47 0.387 -6.370 7.717 1.00 0.00 C ATOM 635 O VAL A 47 0.802 -5.589 8.577 1.00 0.00 O ATOM 636 CB VAL A 47 1.453 -8.609 8.093 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.098 -9.252 8.373 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.430 -9.638 7.544 1.00 0.00 C ATOM 0 H VAL A 47 3.377 -7.188 7.337 1.00 0.00 H new ATOM 0 HA VAL A 47 0.876 -7.802 6.187 1.00 0.00 H new ATOM 0 HB VAL A 47 1.847 -8.226 9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.226 -10.084 9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.571 -8.513 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.330 -9.619 7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.520 -10.466 8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.065 -10.012 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.406 -9.174 7.403 1.00 0.00 H new ATOM 648 N GLY A 48 -0.847 -6.337 7.240 1.00 0.00 N ATOM 649 CA GLY A 48 -1.817 -5.393 7.750 1.00 0.00 C ATOM 650 C GLY A 48 -2.140 -5.648 9.209 1.00 0.00 C ATOM 651 O GLY A 48 -2.844 -6.603 9.533 1.00 0.00 O ATOM 0 H GLY A 48 -1.195 -6.951 6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.433 -4.380 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.731 -5.456 7.159 1.00 0.00 H new ATOM 655 N VAL A 49 -1.604 -4.807 10.083 1.00 0.00 N ATOM 656 CA VAL A 49 -1.833 -4.934 11.517 1.00 0.00 C ATOM 657 C VAL A 49 -3.307 -4.756 11.846 1.00 0.00 C ATOM 658 O VAL A 49 -3.854 -3.656 11.726 1.00 0.00 O ATOM 659 CB VAL A 49 -1.007 -3.914 12.329 1.00 0.00 C ATOM 660 CG1 VAL A 49 0.190 -4.593 12.972 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.555 -2.747 11.460 1.00 0.00 C ATOM 0 H VAL A 49 -1.004 -4.025 9.822 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.512 -5.937 11.797 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.648 -3.515 13.115 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.762 -3.860 13.541 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.155 -5.382 13.640 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.823 -5.025 12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.024 -2.047 12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.063 -3.120 10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.428 -2.238 11.052 1.00 0.00 H new ATOM 671 N ILE A 50 -3.941 -5.846 12.252 1.00 0.00 N ATOM 672 CA ILE A 50 -5.368 -5.845 12.539 1.00 0.00 C ATOM 673 C ILE A 50 -5.714 -4.840 13.632 1.00 0.00 C ATOM 674 O ILE A 50 -5.209 -4.919 14.754 1.00 0.00 O ATOM 675 CB ILE A 50 -5.870 -7.245 12.949 1.00 0.00 C ATOM 676 CG1 ILE A 50 -4.832 -7.966 13.814 1.00 0.00 C ATOM 677 CG2 ILE A 50 -6.186 -8.063 11.707 1.00 0.00 C ATOM 678 CD1 ILE A 50 -5.325 -9.275 14.389 1.00 0.00 C ATOM 0 H ILE A 50 -3.486 -6.748 12.391 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.870 -5.553 11.617 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.778 -7.129 13.540 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.941 -8.155 13.215 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.534 -7.309 14.631 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.540 -9.051 12.002 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.959 -7.559 11.126 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.286 -8.166 11.101 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.537 -9.728 14.990 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.198 -9.091 15.015 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.596 -9.950 13.577 1.00 0.00 H new ATOM 690 N GLY A 51 -6.564 -3.886 13.288 1.00 0.00 N ATOM 691 CA GLY A 51 -6.945 -2.851 14.221 1.00 0.00 C ATOM 692 C GLY A 51 -6.476 -1.489 13.762 1.00 0.00 C ATOM 693 O GLY A 51 -7.085 -0.468 14.087 1.00 0.00 O ATOM 0 H GLY A 51 -7.000 -3.811 12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.029 -2.844 14.335 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.523 -3.071 15.202 1.00 0.00 H new ATOM 697 N SER A 52 -5.404 -1.480 12.982 1.00 0.00 N ATOM 698 CA SER A 52 -4.839 -0.242 12.476 1.00 0.00 C ATOM 699 C SER A 52 -5.391 0.069 11.088 1.00 0.00 C ATOM 700 O SER A 52 -5.981 -0.795 10.436 1.00 0.00 O ATOM 701 CB SER A 52 -3.315 -0.341 12.443 1.00 0.00 C ATOM 702 OG SER A 52 -2.811 -0.818 13.684 1.00 0.00 O ATOM 0 H SER A 52 -4.908 -2.321 12.686 1.00 0.00 H new ATOM 0 HA SER A 52 -5.121 0.574 13.142 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.007 -1.010 11.640 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.888 0.638 12.224 1.00 0.00 H new ATOM 0 HG SER A 52 -1.834 -0.875 13.640 1.00 0.00 H new ATOM 708 N GLN A 53 -5.213 1.303 10.647 1.00 0.00 N ATOM 709 CA GLN A 53 -5.749 1.738 9.369 1.00 0.00 C ATOM 710 C GLN A 53 -4.653 1.879 8.316 1.00 0.00 C ATOM 711 O GLN A 53 -3.502 2.180 8.631 1.00 0.00 O ATOM 712 CB GLN A 53 -6.491 3.064 9.533 1.00 0.00 C ATOM 713 CG GLN A 53 -7.775 2.943 10.336 1.00 0.00 C ATOM 714 CD GLN A 53 -8.379 4.286 10.684 1.00 0.00 C ATOM 715 OE1 GLN A 53 -8.716 5.076 9.800 1.00 0.00 O ATOM 716 NE2 GLN A 53 -8.523 4.554 11.972 1.00 0.00 N ATOM 0 H GLN A 53 -4.700 2.022 11.157 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.445 0.973 9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.832 3.782 10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.725 3.465 8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.500 2.360 9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.573 2.392 11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.230 3.871 12.671 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.927 5.443 12.266 1.00 0.00 H new ATOM 725 N CYS A 54 -5.025 1.645 7.066 1.00 0.00 N ATOM 726 CA CYS A 54 -4.128 1.834 5.941 1.00 0.00 C ATOM 727 C CYS A 54 -4.569 3.054 5.146 1.00 0.00 C ATOM 728 O CYS A 54 -5.762 3.229 4.877 1.00 0.00 O ATOM 729 CB CYS A 54 -4.120 0.591 5.045 1.00 0.00 C ATOM 730 SG CYS A 54 -2.723 0.523 3.876 1.00 0.00 S ATOM 0 H CYS A 54 -5.956 1.319 6.806 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.116 1.991 6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.095 -0.298 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.053 0.557 4.482 1.00 0.00 H new ATOM 735 N GLY A 55 -3.615 3.896 4.778 1.00 0.00 N ATOM 736 CA GLY A 55 -3.949 5.144 4.128 1.00 0.00 C ATOM 737 C GLY A 55 -4.042 5.023 2.621 1.00 0.00 C ATOM 738 O GLY A 55 -4.649 5.872 1.965 1.00 0.00 O ATOM 0 H GLY A 55 -2.617 3.737 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.901 5.506 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.197 5.891 4.381 1.00 0.00 H new ATOM 742 N ALA A 56 -3.445 3.978 2.065 1.00 0.00 N ATOM 743 CA ALA A 56 -3.424 3.809 0.621 1.00 0.00 C ATOM 744 C ALA A 56 -3.981 2.451 0.197 1.00 0.00 C ATOM 745 O ALA A 56 -5.112 2.100 0.540 1.00 0.00 O ATOM 746 CB ALA A 56 -2.014 4.002 0.095 1.00 0.00 C ATOM 0 H ALA A 56 -2.973 3.241 2.588 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.073 4.570 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.009 3.873 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.667 5.005 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.352 3.266 0.551 1.00 0.00 H new ATOM 752 N SER A 57 -3.184 1.690 -0.542 1.00 0.00 N ATOM 753 CA SER A 57 -3.650 0.455 -1.150 1.00 0.00 C ATOM 754 C SER A 57 -3.443 -0.754 -0.238 1.00 0.00 C ATOM 755 O SER A 57 -2.356 -1.334 -0.181 1.00 0.00 O ATOM 756 CB SER A 57 -2.931 0.240 -2.484 1.00 0.00 C ATOM 757 OG SER A 57 -2.264 1.423 -2.901 1.00 0.00 O ATOM 0 H SER A 57 -2.207 1.910 -0.734 1.00 0.00 H new ATOM 0 HA SER A 57 -4.723 0.550 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.211 -0.572 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.651 -0.063 -3.244 1.00 0.00 H new ATOM 0 HG SER A 57 -1.307 1.240 -3.004 1.00 0.00 H new ATOM 763 N VAL A 58 -4.492 -1.122 0.478 1.00 0.00 N ATOM 764 CA VAL A 58 -4.490 -2.352 1.248 1.00 0.00 C ATOM 765 C VAL A 58 -5.091 -3.472 0.395 1.00 0.00 C ATOM 766 O VAL A 58 -6.192 -3.336 -0.140 1.00 0.00 O ATOM 767 CB VAL A 58 -5.269 -2.201 2.579 1.00 0.00 C ATOM 768 CG1 VAL A 58 -6.621 -1.540 2.356 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.434 -3.547 3.271 1.00 0.00 C ATOM 0 H VAL A 58 -5.357 -0.585 0.541 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.461 -2.597 1.511 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.684 -1.553 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.143 -1.448 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.475 -0.549 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.215 -2.148 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.984 -3.412 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.984 -4.226 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.452 -3.968 3.487 1.00 0.00 H new ATOM 779 N LYS A 59 -4.355 -4.562 0.244 1.00 0.00 N ATOM 780 CA LYS A 59 -4.794 -5.655 -0.612 1.00 0.00 C ATOM 781 C LYS A 59 -4.435 -6.999 0.007 1.00 0.00 C ATOM 782 O LYS A 59 -3.703 -7.061 0.996 1.00 0.00 O ATOM 783 CB LYS A 59 -4.191 -5.521 -2.016 1.00 0.00 C ATOM 784 CG LYS A 59 -2.815 -6.149 -2.169 1.00 0.00 C ATOM 785 CD LYS A 59 -2.419 -6.248 -3.630 1.00 0.00 C ATOM 786 CE LYS A 59 -1.722 -4.984 -4.098 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.677 -4.884 -5.582 1.00 0.00 N ATOM 0 H LYS A 59 -3.455 -4.714 0.700 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.879 -5.603 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.869 -5.980 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.125 -4.463 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.078 -5.554 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.813 -7.142 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.760 -7.104 -3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.306 -6.424 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.239 -4.114 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.706 -4.964 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.192 -4.006 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.161 -5.700 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.646 -4.877 -5.959 1.00 0.00 H new ATOM 801 N CYS A 60 -4.954 -8.066 -0.578 1.00 0.00 N ATOM 802 CA CYS A 60 -4.756 -9.404 -0.047 1.00 0.00 C ATOM 803 C CYS A 60 -3.885 -10.225 -0.985 1.00 0.00 C ATOM 804 O CYS A 60 -4.196 -10.371 -2.169 1.00 0.00 O ATOM 805 CB CYS A 60 -6.106 -10.094 0.147 1.00 0.00 C ATOM 806 SG CYS A 60 -7.481 -8.945 0.494 1.00 0.00 S ATOM 0 H CYS A 60 -5.519 -8.030 -1.426 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.253 -9.325 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.342 -10.667 -0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.024 -10.806 0.968 1.00 0.00 H new ATOM 811 N CYS A 61 -2.793 -10.756 -0.463 1.00 0.00 N ATOM 812 CA CYS A 61 -1.899 -11.579 -1.256 1.00 0.00 C ATOM 813 C CYS A 61 -1.513 -12.839 -0.489 1.00 0.00 C ATOM 814 O CYS A 61 -1.178 -12.782 0.692 1.00 0.00 O ATOM 815 CB CYS A 61 -0.645 -10.791 -1.648 1.00 0.00 C ATOM 816 SG CYS A 61 -0.933 -9.495 -2.903 1.00 0.00 S ATOM 0 H CYS A 61 -2.505 -10.631 0.507 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.422 -11.872 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.227 -10.328 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.104 -11.487 -2.027 1.00 0.00 H new ATOM 821 N LYS A 62 -1.603 -13.974 -1.157 1.00 0.00 N ATOM 822 CA LYS A 62 -1.180 -15.233 -0.584 1.00 0.00 C ATOM 823 C LYS A 62 0.149 -15.646 -1.188 1.00 0.00 C ATOM 824 O LYS A 62 0.279 -15.786 -2.410 1.00 0.00 O ATOM 825 CB LYS A 62 -2.227 -16.323 -0.812 1.00 0.00 C ATOM 826 CG LYS A 62 -1.942 -17.609 -0.051 1.00 0.00 C ATOM 827 CD LYS A 62 -1.600 -17.331 1.401 1.00 0.00 C ATOM 828 CE LYS A 62 -1.018 -18.555 2.087 1.00 0.00 C ATOM 829 NZ LYS A 62 -2.011 -19.656 2.216 1.00 0.00 N ATOM 0 H LYS A 62 -1.969 -14.047 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.064 -15.102 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.205 -15.944 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.282 -16.546 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.812 -18.264 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.116 -18.139 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.886 -16.510 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.497 -17.009 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.156 -18.910 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.657 -18.277 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.250 -19.792 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.871 -19.411 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.607 -20.535 1.834 1.00 0.00 H new ATOM 843 N ASP A 63 1.125 -15.821 -0.324 1.00 0.00 N ATOM 844 CA ASP A 63 2.476 -16.171 -0.732 1.00 0.00 C ATOM 845 C ASP A 63 3.267 -16.662 0.473 1.00 0.00 C ATOM 846 O ASP A 63 2.841 -16.480 1.614 1.00 0.00 O ATOM 847 CB ASP A 63 3.166 -14.961 -1.377 1.00 0.00 C ATOM 848 CG ASP A 63 3.884 -14.070 -0.380 1.00 0.00 C ATOM 849 OD1 ASP A 63 3.262 -13.648 0.624 1.00 0.00 O ATOM 850 OD2 ASP A 63 5.074 -13.775 -0.612 1.00 0.00 O ATOM 0 H ASP A 63 1.008 -15.725 0.685 1.00 0.00 H new ATOM 0 HA ASP A 63 2.431 -16.972 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.883 -15.314 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.421 -14.370 -1.910 1.00 0.00 H new ATOM 855 N ASP A 64 4.401 -17.289 0.221 1.00 0.00 N ATOM 856 CA ASP A 64 5.248 -17.783 1.297 1.00 0.00 C ATOM 857 C ASP A 64 6.579 -17.051 1.313 1.00 0.00 C ATOM 858 O ASP A 64 7.453 -17.306 0.482 1.00 0.00 O ATOM 859 CB ASP A 64 5.482 -19.290 1.157 1.00 0.00 C ATOM 860 CG ASP A 64 6.373 -19.843 2.253 1.00 0.00 C ATOM 861 OD1 ASP A 64 6.035 -19.671 3.445 1.00 0.00 O ATOM 862 OD2 ASP A 64 7.410 -20.465 1.929 1.00 0.00 O ATOM 0 H ASP A 64 4.759 -17.469 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 64 4.734 -17.596 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.523 -19.807 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.934 -19.496 0.187 1.00 0.00 H new ATOM 867 N VAL A 65 6.720 -16.117 2.238 1.00 0.00 N ATOM 868 CA VAL A 65 7.984 -15.433 2.440 1.00 0.00 C ATOM 869 C VAL A 65 8.771 -16.161 3.507 1.00 0.00 C ATOM 870 O VAL A 65 8.186 -16.727 4.429 1.00 0.00 O ATOM 871 CB VAL A 65 7.806 -13.966 2.881 1.00 0.00 C ATOM 872 CG1 VAL A 65 8.880 -13.094 2.254 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.419 -13.444 2.533 1.00 0.00 C ATOM 0 H VAL A 65 5.972 -15.815 2.862 1.00 0.00 H new ATOM 0 HA VAL A 65 8.507 -15.432 1.484 1.00 0.00 H new ATOM 0 HB VAL A 65 7.910 -13.926 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.742 -12.061 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.863 -13.444 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.806 -13.151 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.328 -12.408 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.269 -13.501 1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.665 -14.049 3.037 1.00 0.00 H new ATOM 883 N THR A 66 10.081 -16.141 3.399 1.00 0.00 N ATOM 884 CA THR A 66 10.914 -16.836 4.355 1.00 0.00 C ATOM 885 C THR A 66 11.040 -16.033 5.643 1.00 0.00 C ATOM 886 O THR A 66 11.348 -14.840 5.622 1.00 0.00 O ATOM 887 CB THR A 66 12.302 -17.103 3.762 1.00 0.00 C ATOM 888 OG1 THR A 66 12.383 -16.532 2.449 1.00 0.00 O ATOM 889 CG2 THR A 66 12.565 -18.595 3.686 1.00 0.00 C ATOM 0 H THR A 66 10.591 -15.653 2.662 1.00 0.00 H new ATOM 0 HA THR A 66 10.442 -17.791 4.587 1.00 0.00 H new ATOM 0 HB THR A 66 13.053 -16.646 4.406 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.272 -16.702 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.554 -18.769 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.518 -19.024 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.812 -19.065 3.054 1.00 0.00 H new ATOM 897 N ASN A 67 10.781 -16.694 6.765 1.00 0.00 N ATOM 898 CA ASN A 67 10.833 -16.043 8.070 1.00 0.00 C ATOM 899 C ASN A 67 12.272 -15.899 8.539 1.00 0.00 C ATOM 900 O ASN A 67 12.555 -15.248 9.546 1.00 0.00 O ATOM 901 CB ASN A 67 10.030 -16.845 9.096 1.00 0.00 C ATOM 902 CG ASN A 67 9.030 -15.988 9.846 1.00 0.00 C ATOM 903 OD1 ASN A 67 7.822 -16.216 9.772 1.00 0.00 O ATOM 904 ND2 ASN A 67 9.523 -14.997 10.572 1.00 0.00 N ATOM 0 H ASN A 67 10.532 -17.683 6.798 1.00 0.00 H new ATOM 0 HA ASN A 67 10.395 -15.050 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.503 -17.654 8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.714 -17.307 9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.895 -14.388 11.097 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.531 -14.842 10.606 1.00 0.00 H new ATOM 911 N THR A 68 13.171 -16.534 7.809 1.00 0.00 N ATOM 912 CA THR A 68 14.593 -16.408 8.053 1.00 0.00 C ATOM 913 C THR A 68 15.300 -16.045 6.753 1.00 0.00 C ATOM 914 O THR A 68 15.254 -16.800 5.780 1.00 0.00 O ATOM 915 CB THR A 68 15.184 -17.714 8.620 1.00 0.00 C ATOM 916 OG1 THR A 68 14.130 -18.539 9.148 1.00 0.00 O ATOM 917 CG2 THR A 68 16.198 -17.422 9.717 1.00 0.00 C ATOM 0 H THR A 68 12.934 -17.150 7.032 1.00 0.00 H new ATOM 0 HA THR A 68 14.745 -15.621 8.792 1.00 0.00 H new ATOM 0 HB THR A 68 15.690 -18.238 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.511 -19.368 9.505 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.600 -18.360 10.100 1.00 0.00 H new ATOM 0 HG22 THR A 68 17.010 -16.818 9.311 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.712 -16.878 10.527 1.00 0.00 H new ATOM 925 N GLY A 69 15.932 -14.884 6.736 1.00 0.00 N ATOM 926 CA GLY A 69 16.592 -14.408 5.540 1.00 0.00 C ATOM 927 C GLY A 69 16.378 -12.923 5.333 1.00 0.00 C ATOM 928 O GLY A 69 17.332 -12.169 5.142 1.00 0.00 O ATOM 0 H GLY A 69 16.000 -14.257 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.660 -14.616 5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.215 -14.954 4.675 1.00 0.00 H new ATOM 932 N ASN A 70 15.125 -12.502 5.398 1.00 0.00 N ATOM 933 CA ASN A 70 14.771 -11.099 5.216 1.00 0.00 C ATOM 934 C ASN A 70 14.012 -10.593 6.437 1.00 0.00 C ATOM 935 O ASN A 70 13.321 -11.359 7.107 1.00 0.00 O ATOM 936 CB ASN A 70 13.924 -10.903 3.949 1.00 0.00 C ATOM 937 CG ASN A 70 12.830 -11.946 3.801 1.00 0.00 C ATOM 938 OD1 ASN A 70 13.088 -13.076 3.389 1.00 0.00 O ATOM 939 ND2 ASN A 70 11.600 -11.578 4.119 1.00 0.00 N ATOM 0 H ASN A 70 14.329 -13.115 5.577 1.00 0.00 H new ATOM 0 HA ASN A 70 15.691 -10.526 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.473 -9.911 3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.574 -10.939 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.829 -12.240 4.026 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.422 -10.632 4.458 1.00 0.00 H new ATOM 946 N SER A 71 14.151 -9.306 6.727 1.00 0.00 N ATOM 947 CA SER A 71 13.503 -8.703 7.883 1.00 0.00 C ATOM 948 C SER A 71 12.049 -8.365 7.579 1.00 0.00 C ATOM 949 O SER A 71 11.154 -8.664 8.369 1.00 0.00 O ATOM 950 CB SER A 71 14.265 -7.446 8.306 1.00 0.00 C ATOM 951 OG SER A 71 15.571 -7.446 7.750 1.00 0.00 O ATOM 0 H SER A 71 14.710 -8.657 6.174 1.00 0.00 H new ATOM 0 HA SER A 71 13.516 -9.422 8.702 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.724 -6.558 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.326 -7.399 9.393 1.00 0.00 H new ATOM 0 HG SER A 71 16.045 -6.635 8.028 1.00 0.00 H new ATOM 957 N PHE A 72 11.811 -7.752 6.427 1.00 0.00 N ATOM 958 CA PHE A 72 10.459 -7.399 6.026 1.00 0.00 C ATOM 959 C PHE A 72 9.997 -8.315 4.896 1.00 0.00 C ATOM 960 O PHE A 72 10.821 -8.897 4.186 1.00 0.00 O ATOM 961 CB PHE A 72 10.377 -5.910 5.643 1.00 0.00 C ATOM 962 CG PHE A 72 10.359 -5.617 4.167 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.540 -5.505 3.448 1.00 0.00 C ATOM 964 CD2 PHE A 72 9.158 -5.432 3.506 1.00 0.00 C ATOM 965 CE1 PHE A 72 11.518 -5.216 2.098 1.00 0.00 C ATOM 966 CE2 PHE A 72 9.130 -5.148 2.158 1.00 0.00 C ATOM 967 CZ PHE A 72 10.310 -5.038 1.451 1.00 0.00 C ATOM 0 H PHE A 72 12.535 -7.490 5.757 1.00 0.00 H new ATOM 0 HA PHE A 72 9.782 -7.545 6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.477 -5.488 6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.227 -5.392 6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.486 -5.645 3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.230 -5.511 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.444 -5.129 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.184 -5.011 1.655 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.289 -4.813 0.395 1.00 0.00 H new ATOM 977 N LEU A 73 8.689 -8.446 4.732 1.00 0.00 N ATOM 978 CA LEU A 73 8.128 -9.446 3.830 1.00 0.00 C ATOM 979 C LEU A 73 7.893 -8.904 2.426 1.00 0.00 C ATOM 980 O LEU A 73 6.879 -8.259 2.154 1.00 0.00 O ATOM 981 CB LEU A 73 6.812 -9.988 4.388 1.00 0.00 C ATOM 982 CG LEU A 73 6.649 -9.881 5.903 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.711 -8.738 6.256 1.00 0.00 C ATOM 984 CD2 LEU A 73 6.131 -11.190 6.477 1.00 0.00 C ATOM 0 H LEU A 73 7.994 -7.873 5.211 1.00 0.00 H new ATOM 0 HA LEU A 73 8.864 -10.247 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.989 -9.455 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.720 -11.036 4.103 1.00 0.00 H new ATOM 0 HG LEU A 73 7.626 -9.675 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.605 -8.675 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.120 -7.802 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.734 -8.917 5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.021 -11.095 7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.164 -11.424 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.837 -11.990 6.253 1.00 0.00 H new ATOM 996 N ILE A 74 8.841 -9.161 1.540 1.00 0.00 N ATOM 997 CA ILE A 74 8.623 -8.955 0.120 1.00 0.00 C ATOM 998 C ILE A 74 7.625 -9.998 -0.372 1.00 0.00 C ATOM 999 O ILE A 74 7.763 -11.185 -0.068 1.00 0.00 O ATOM 1000 CB ILE A 74 9.940 -9.068 -0.686 1.00 0.00 C ATOM 1001 CG1 ILE A 74 10.962 -8.053 -0.180 1.00 0.00 C ATOM 1002 CG2 ILE A 74 9.688 -8.864 -2.174 1.00 0.00 C ATOM 1003 CD1 ILE A 74 12.128 -8.684 0.551 1.00 0.00 C ATOM 0 H ILE A 74 9.768 -9.512 1.780 1.00 0.00 H new ATOM 0 HA ILE A 74 8.235 -7.948 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 74 10.339 -10.072 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.341 -7.479 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.464 -7.349 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.629 -8.948 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.993 -9.623 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.262 -7.874 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 74 12.814 -7.905 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 74 11.760 -9.235 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.651 -9.367 -0.119 1.00 0.00 H new ATOM 1015 N ILE A 75 6.640 -9.571 -1.135 1.00 0.00 N ATOM 1016 CA ILE A 75 5.569 -10.462 -1.540 1.00 0.00 C ATOM 1017 C ILE A 75 5.905 -11.122 -2.864 1.00 0.00 C ATOM 1018 O ILE A 75 6.280 -10.453 -3.825 1.00 0.00 O ATOM 1019 CB ILE A 75 4.224 -9.718 -1.669 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.047 -8.739 -0.508 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.067 -10.708 -1.717 1.00 0.00 C ATOM 1022 CD1 ILE A 75 2.968 -7.708 -0.749 1.00 0.00 C ATOM 0 H ILE A 75 6.557 -8.617 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 75 5.468 -11.220 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 75 4.228 -9.153 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.808 -9.299 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.993 -8.228 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.127 -10.164 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.189 -11.369 -2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.057 -11.300 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.897 -7.047 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.215 -7.123 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.013 -8.210 -0.901 1.00 0.00 H new ATOM 1034 N ASN A 76 5.770 -12.442 -2.889 1.00 0.00 N ATOM 1035 CA ASN A 76 6.090 -13.241 -4.069 1.00 0.00 C ATOM 1036 C ASN A 76 5.144 -12.921 -5.222 1.00 0.00 C ATOM 1037 O ASN A 76 5.417 -13.267 -6.371 1.00 0.00 O ATOM 1038 CB ASN A 76 6.007 -14.733 -3.735 1.00 0.00 C ATOM 1039 CG ASN A 76 7.225 -15.234 -2.976 1.00 0.00 C ATOM 1040 OD1 ASN A 76 8.164 -15.758 -3.568 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.221 -15.074 -1.660 1.00 0.00 N ATOM 0 H ASN A 76 5.437 -12.989 -2.095 1.00 0.00 H new ATOM 0 HA ASN A 76 7.106 -12.994 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.112 -14.919 -3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.900 -15.302 -4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.016 -15.391 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.423 -14.634 -1.202 1.00 0.00 H new ATOM 1048 N ALA A 77 4.030 -12.266 -4.892 1.00 0.00 N ATOM 1049 CA ALA A 77 3.026 -11.862 -5.876 1.00 0.00 C ATOM 1050 C ALA A 77 2.491 -13.063 -6.648 1.00 0.00 C ATOM 1051 O ALA A 77 2.207 -12.976 -7.844 1.00 0.00 O ATOM 1052 CB ALA A 77 3.596 -10.812 -6.825 1.00 0.00 C ATOM 0 H ALA A 77 3.799 -12.001 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 77 2.188 -11.418 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.834 -10.524 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.904 -9.935 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.458 -11.225 -7.349 1.00 0.00 H new ATOM 1058 N ALA A 78 2.361 -14.188 -5.957 1.00 0.00 N ATOM 1059 CA ALA A 78 1.829 -15.396 -6.570 1.00 0.00 C ATOM 1060 C ALA A 78 0.311 -15.332 -6.639 1.00 0.00 C ATOM 1061 O ALA A 78 -0.280 -15.435 -7.714 1.00 0.00 O ATOM 1062 CB ALA A 78 2.281 -16.623 -5.795 1.00 0.00 C ATOM 0 H ALA A 78 2.616 -14.288 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 78 2.214 -15.471 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.876 -17.519 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.370 -16.673 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.922 -16.557 -4.768 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.315 -15.157 -5.487 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.763 -15.021 -5.415 1.00 0.00 C ATOM 1070 C ASN A 79 -2.119 -13.652 -4.864 1.00 0.00 C ATOM 1071 O ASN A 79 -2.098 -13.449 -3.661 1.00 0.00 O ATOM 1072 CB ASN A 79 -2.375 -16.094 -4.509 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.819 -17.482 -4.754 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -2.316 -18.223 -5.602 1.00 0.00 O ATOM 1075 ND2 ASN A 79 -0.780 -17.847 -4.014 1.00 0.00 N ATOM 0 H ASN A 79 0.158 -15.105 -4.585 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.164 -15.141 -6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.202 -15.821 -3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.454 -16.112 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.365 -18.770 -4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.396 -17.204 -3.321 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.432 -12.710 -5.728 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.765 -11.371 -5.268 1.00 0.00 C ATOM 1084 C CYS A 80 -4.136 -10.948 -5.774 1.00 0.00 C ATOM 1085 O CYS A 80 -4.435 -11.079 -6.959 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.697 -10.374 -5.719 1.00 0.00 C ATOM 1087 SG CYS A 80 -0.234 -10.308 -4.629 1.00 0.00 S ATOM 0 H CYS A 80 -2.464 -12.839 -6.739 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.795 -11.382 -4.178 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.375 -10.634 -6.727 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.142 -9.380 -5.773 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.968 -10.454 -4.864 1.00 0.00 N ATOM 1093 CA VAL A 81 -6.307 -9.989 -5.208 1.00 0.00 C ATOM 1094 C VAL A 81 -6.543 -8.590 -4.641 1.00 0.00 C ATOM 1095 O VAL A 81 -5.935 -8.205 -3.637 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.410 -10.937 -4.681 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.665 -12.068 -5.665 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -7.045 -11.491 -3.313 1.00 0.00 C ATOM 0 H VAL A 81 -4.736 -10.365 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.365 -9.971 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.328 -10.358 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.444 -12.722 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.985 -11.653 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.748 -12.640 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.837 -12.154 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.111 -12.048 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.925 -10.669 -2.608 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.416 -7.834 -5.290 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.724 -6.479 -4.858 1.00 0.00 C ATOM 1110 C ALA A 82 -9.168 -6.129 -5.184 1.00 0.00 C ATOM 1111 O ALA A 82 -9.688 -6.643 -6.195 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.778 -5.485 -5.517 1.00 0.00 C ATOM 1113 OXT ALA A 82 -9.785 -5.360 -4.418 1.00 0.00 O ATOM 0 H ALA A 82 -7.925 -8.137 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.591 -6.424 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.021 -4.476 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.751 -5.721 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.884 -5.545 -6.600 1.00 0.00 H new