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 21 SER OG : rot 115:sc= 0.0431 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0432 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 155:sc= 2.25 (180deg=0.856) USER MOD Set 2.2: A 17 TYR OH : rot 130:sc= 0.859 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.125 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 8 THR OG1 : rot -120:sc= 0.957 USER MOD Single : A 10 SER OG : rot -89:sc= 0.0417 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -17:sc= 0.766 USER MOD Single : A 52 SER OG : rot -160:sc=-0.00247 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 151:sc= 0.682 (180deg=0.443) USER MOD Single : A 66 THR OG1 : rot -69:sc= 0.653 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.227 K(o=0.23,f=-1.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 79 ASN : amide:sc= 1.19 K(o=1.2,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.364 5.966 6.897 1.00 0.00 N ATOM 2 CA ALA A 1 -9.208 5.185 6.398 1.00 0.00 C ATOM 3 C ALA A 1 -9.549 3.699 6.353 1.00 0.00 C ATOM 4 O ALA A 1 -10.604 3.282 6.833 1.00 0.00 O ATOM 5 CB ALA A 1 -7.988 5.422 7.281 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.712 6.592 6.143 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.123 5.316 7.186 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.069 6.539 7.713 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.976 5.518 5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.147 4.842 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.732 6.481 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.212 5.112 8.302 1.00 0.00 H new ATOM 13 N THR A 2 -8.661 2.901 5.783 1.00 0.00 N ATOM 14 CA THR A 2 -8.869 1.471 5.718 1.00 0.00 C ATOM 15 C THR A 2 -8.380 0.808 6.997 1.00 0.00 C ATOM 16 O THR A 2 -7.180 0.597 7.181 1.00 0.00 O ATOM 17 CB THR A 2 -8.130 0.866 4.512 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.560 1.915 3.713 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.068 0.024 3.663 1.00 0.00 C ATOM 0 H THR A 2 -7.791 3.223 5.360 1.00 0.00 H new ATOM 0 HA THR A 2 -9.938 1.291 5.603 1.00 0.00 H new ATOM 0 HB THR A 2 -7.336 0.221 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.089 1.524 2.948 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.519 -0.391 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.474 -0.788 4.266 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.884 0.647 3.296 1.00 0.00 H new ATOM 27 N THR A 3 -9.310 0.503 7.887 1.00 0.00 N ATOM 28 CA THR A 3 -8.974 -0.173 9.127 1.00 0.00 C ATOM 29 C THR A 3 -8.998 -1.684 8.934 1.00 0.00 C ATOM 30 O THR A 3 -10.060 -2.282 8.745 1.00 0.00 O ATOM 31 CB THR A 3 -9.934 0.219 10.265 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.450 1.542 10.045 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.220 0.162 11.607 1.00 0.00 C ATOM 0 H THR A 3 -10.302 0.713 7.773 1.00 0.00 H new ATOM 0 HA THR A 3 -7.968 0.141 9.406 1.00 0.00 H new ATOM 0 HB THR A 3 -10.762 -0.490 10.276 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.061 1.780 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.913 0.442 12.400 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.857 -0.851 11.783 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.378 0.854 11.601 1.00 0.00 H new ATOM 41 N ILE A 4 -7.820 -2.291 8.970 1.00 0.00 N ATOM 42 CA ILE A 4 -7.687 -3.723 8.749 1.00 0.00 C ATOM 43 C ILE A 4 -8.258 -4.504 9.924 1.00 0.00 C ATOM 44 O ILE A 4 -7.860 -4.305 11.066 1.00 0.00 O ATOM 45 CB ILE A 4 -6.212 -4.124 8.528 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.566 -3.218 7.480 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.112 -5.584 8.105 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.184 -2.739 7.862 1.00 0.00 C ATOM 0 H ILE A 4 -6.939 -1.810 9.151 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.250 -3.967 7.848 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.676 -4.002 9.469 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.506 -3.756 6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.208 -2.353 7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.065 -5.848 7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.538 -6.218 8.883 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.661 -5.732 7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.788 -2.101 7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.239 -2.172 8.791 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.526 -3.597 7.999 1.00 0.00 H new ATOM 60 N GLY A 5 -9.219 -5.362 9.640 1.00 0.00 N ATOM 61 CA GLY A 5 -9.800 -6.198 10.666 1.00 0.00 C ATOM 62 C GLY A 5 -10.267 -7.530 10.109 1.00 0.00 C ATOM 63 O GLY A 5 -9.858 -7.923 9.017 1.00 0.00 O ATOM 0 H GLY A 5 -9.612 -5.496 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.066 -6.370 11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.643 -5.680 11.123 1.00 0.00 H new ATOM 67 N PRO A 6 -11.148 -8.234 10.833 1.00 0.00 N ATOM 68 CA PRO A 6 -11.640 -9.561 10.432 1.00 0.00 C ATOM 69 C PRO A 6 -12.492 -9.526 9.161 1.00 0.00 C ATOM 70 O PRO A 6 -12.633 -10.529 8.462 1.00 0.00 O ATOM 71 CB PRO A 6 -12.488 -10.003 11.628 1.00 0.00 C ATOM 72 CG PRO A 6 -12.877 -8.742 12.317 1.00 0.00 C ATOM 73 CD PRO A 6 -11.730 -7.796 12.115 1.00 0.00 C ATOM 0 HA PRO A 6 -10.817 -10.236 10.195 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.366 -10.562 11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.922 -10.656 12.292 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.798 -8.336 11.898 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.059 -8.916 13.378 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.066 -6.760 12.071 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.007 -7.862 12.928 1.00 0.00 H new ATOM 81 N ASN A 7 -13.047 -8.361 8.861 1.00 0.00 N ATOM 82 CA ASN A 7 -13.926 -8.206 7.710 1.00 0.00 C ATOM 83 C ASN A 7 -13.199 -7.541 6.548 1.00 0.00 C ATOM 84 O ASN A 7 -13.803 -7.223 5.526 1.00 0.00 O ATOM 85 CB ASN A 7 -15.164 -7.382 8.087 1.00 0.00 C ATOM 86 CG ASN A 7 -14.851 -6.276 9.079 1.00 0.00 C ATOM 87 OD1 ASN A 7 -14.288 -5.240 8.724 1.00 0.00 O ATOM 88 ND2 ASN A 7 -15.207 -6.490 10.335 1.00 0.00 N ATOM 0 H ASN A 7 -12.904 -7.507 9.400 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.240 -9.201 7.396 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -15.593 -6.945 7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.920 -8.043 8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.017 -5.784 11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.672 -7.361 10.592 1.00 0.00 H new ATOM 95 N THR A 8 -11.904 -7.328 6.708 1.00 0.00 N ATOM 96 CA THR A 8 -11.111 -6.699 5.664 1.00 0.00 C ATOM 97 C THR A 8 -10.484 -7.742 4.744 1.00 0.00 C ATOM 98 O THR A 8 -10.565 -7.634 3.522 1.00 0.00 O ATOM 99 CB THR A 8 -10.005 -5.819 6.270 1.00 0.00 C ATOM 100 OG1 THR A 8 -10.548 -5.048 7.348 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.400 -4.891 5.226 1.00 0.00 C ATOM 0 H THR A 8 -11.381 -7.580 7.547 1.00 0.00 H new ATOM 0 HA THR A 8 -11.784 -6.073 5.078 1.00 0.00 H new ATOM 0 HB THR A 8 -9.213 -6.470 6.640 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.442 -4.093 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.622 -4.283 5.687 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.968 -5.483 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.177 -4.241 4.823 1.00 0.00 H new ATOM 109 N CYS A 9 -9.873 -8.757 5.333 1.00 0.00 N ATOM 110 CA CYS A 9 -9.194 -9.779 4.555 1.00 0.00 C ATOM 111 C CYS A 9 -9.524 -11.167 5.078 1.00 0.00 C ATOM 112 O CYS A 9 -8.827 -11.701 5.940 1.00 0.00 O ATOM 113 CB CYS A 9 -7.684 -9.552 4.583 1.00 0.00 C ATOM 114 SG CYS A 9 -6.769 -10.467 3.302 1.00 0.00 S ATOM 0 H CYS A 9 -9.833 -8.895 6.343 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.543 -9.709 3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.486 -8.487 4.465 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -7.302 -9.840 5.562 1.00 0.00 H new ATOM 119 N SER A 10 -10.607 -11.732 4.578 1.00 0.00 N ATOM 120 CA SER A 10 -10.976 -13.092 4.916 1.00 0.00 C ATOM 121 C SER A 10 -10.737 -14.011 3.717 1.00 0.00 C ATOM 122 O SER A 10 -9.641 -14.554 3.556 1.00 0.00 O ATOM 123 CB SER A 10 -12.440 -13.141 5.357 1.00 0.00 C ATOM 124 OG SER A 10 -12.974 -11.827 5.489 1.00 0.00 O ATOM 0 H SER A 10 -11.248 -11.268 3.934 1.00 0.00 H new ATOM 0 HA SER A 10 -10.356 -13.439 5.743 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.025 -13.704 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.520 -13.668 6.308 1.00 0.00 H new ATOM 0 HG SER A 10 -12.821 -11.502 6.401 1.00 0.00 H new ATOM 130 N ILE A 11 -11.759 -14.147 2.866 1.00 0.00 N ATOM 131 CA ILE A 11 -11.690 -14.982 1.668 1.00 0.00 C ATOM 132 C ILE A 11 -11.272 -16.405 2.027 1.00 0.00 C ATOM 133 O ILE A 11 -12.079 -17.193 2.520 1.00 0.00 O ATOM 134 CB ILE A 11 -10.729 -14.397 0.600 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.859 -12.873 0.543 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.020 -14.999 -0.771 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.528 -12.151 0.556 1.00 0.00 C ATOM 0 H ILE A 11 -12.657 -13.680 2.991 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.690 -15.001 1.235 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.708 -14.652 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.404 -12.597 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.455 -12.535 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.336 -14.576 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.886 -16.080 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.047 -14.772 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.697 -11.075 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.989 -12.398 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.938 -12.460 -0.307 1.00 0.00 H new ATOM 149 N ASP A 12 -10.016 -16.731 1.769 1.00 0.00 N ATOM 150 CA ASP A 12 -9.461 -18.015 2.163 1.00 0.00 C ATOM 151 C ASP A 12 -8.636 -17.836 3.432 1.00 0.00 C ATOM 152 O ASP A 12 -9.177 -17.530 4.495 1.00 0.00 O ATOM 153 CB ASP A 12 -8.600 -18.586 1.036 1.00 0.00 C ATOM 154 CG ASP A 12 -8.526 -20.099 1.078 1.00 0.00 C ATOM 155 OD1 ASP A 12 -9.578 -20.745 1.249 1.00 0.00 O ATOM 156 OD2 ASP A 12 -7.413 -20.645 0.947 1.00 0.00 O ATOM 0 H ASP A 12 -9.358 -16.120 1.285 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.270 -18.718 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.008 -18.271 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.594 -18.173 1.106 1.00 0.00 H new ATOM 161 N ASP A 13 -7.335 -18.032 3.322 1.00 0.00 N ATOM 162 CA ASP A 13 -6.418 -17.640 4.378 1.00 0.00 C ATOM 163 C ASP A 13 -5.422 -16.652 3.804 1.00 0.00 C ATOM 164 O ASP A 13 -4.237 -16.939 3.663 1.00 0.00 O ATOM 165 CB ASP A 13 -5.689 -18.840 4.984 1.00 0.00 C ATOM 166 CG ASP A 13 -4.702 -18.418 6.059 1.00 0.00 C ATOM 167 OD1 ASP A 13 -5.102 -17.663 6.974 1.00 0.00 O ATOM 168 OD2 ASP A 13 -3.520 -18.821 5.982 1.00 0.00 O ATOM 0 H ASP A 13 -6.888 -18.461 2.511 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.990 -17.182 5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.417 -19.530 5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.161 -19.379 4.198 1.00 0.00 H new ATOM 173 N TYR A 14 -5.926 -15.495 3.436 1.00 0.00 N ATOM 174 CA TYR A 14 -5.118 -14.495 2.775 1.00 0.00 C ATOM 175 C TYR A 14 -4.472 -13.568 3.785 1.00 0.00 C ATOM 176 O TYR A 14 -4.994 -13.370 4.883 1.00 0.00 O ATOM 177 CB TYR A 14 -5.974 -13.700 1.796 1.00 0.00 C ATOM 178 CG TYR A 14 -5.845 -14.178 0.372 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.706 -13.902 -0.369 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.862 -14.905 -0.229 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.581 -14.336 -1.671 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.744 -15.346 -1.534 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.602 -15.054 -2.250 1.00 0.00 C ATOM 184 OH TYR A 14 -5.476 -15.484 -3.550 1.00 0.00 O ATOM 0 H TYR A 14 -6.898 -15.223 3.585 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.324 -15.000 2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.018 -13.764 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.691 -12.649 1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.903 -13.337 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.758 -15.130 0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.686 -14.114 -2.234 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.541 -15.915 -1.990 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.281 -15.978 -3.811 1.00 0.00 H new ATOM 194 N LYS A 15 -3.325 -13.025 3.416 1.00 0.00 N ATOM 195 CA LYS A 15 -2.634 -12.077 4.264 1.00 0.00 C ATOM 196 C LYS A 15 -2.871 -10.674 3.741 1.00 0.00 C ATOM 197 O LYS A 15 -2.669 -10.413 2.552 1.00 0.00 O ATOM 198 CB LYS A 15 -1.130 -12.364 4.315 1.00 0.00 C ATOM 199 CG LYS A 15 -0.768 -13.826 4.127 1.00 0.00 C ATOM 200 CD LYS A 15 0.731 -14.005 3.945 1.00 0.00 C ATOM 201 CE LYS A 15 1.124 -13.952 2.478 1.00 0.00 C ATOM 202 NZ LYS A 15 2.582 -13.731 2.303 1.00 0.00 N ATOM 0 H LYS A 15 -2.854 -13.226 2.534 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.027 -12.171 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.633 -11.776 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.739 -12.025 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.103 -14.400 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.292 -14.224 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.261 -13.226 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.039 -14.960 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.837 -14.884 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.574 -13.152 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.882 -14.109 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.786 -12.712 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.100 -14.217 3.062 1.00 0.00 H new ATOM 216 N PRO A 16 -3.329 -9.764 4.605 1.00 0.00 N ATOM 217 CA PRO A 16 -3.545 -8.374 4.236 1.00 0.00 C ATOM 218 C PRO A 16 -2.224 -7.645 4.073 1.00 0.00 C ATOM 219 O PRO A 16 -1.315 -7.816 4.879 1.00 0.00 O ATOM 220 CB PRO A 16 -4.335 -7.784 5.414 1.00 0.00 C ATOM 221 CG PRO A 16 -4.687 -8.940 6.294 1.00 0.00 C ATOM 222 CD PRO A 16 -3.672 -10.010 6.009 1.00 0.00 C ATOM 0 HA PRO A 16 -4.070 -8.279 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.739 -7.049 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.232 -7.272 5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.663 -8.651 7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.696 -9.295 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.801 -9.925 6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.084 -11.008 6.156 1.00 0.00 H new ATOM 230 N TYR A 17 -2.111 -6.855 3.026 1.00 0.00 N ATOM 231 CA TYR A 17 -0.906 -6.081 2.790 1.00 0.00 C ATOM 232 C TYR A 17 -1.257 -4.627 2.536 1.00 0.00 C ATOM 233 O TYR A 17 -2.131 -4.320 1.722 1.00 0.00 O ATOM 234 CB TYR A 17 -0.134 -6.642 1.597 1.00 0.00 C ATOM 235 CG TYR A 17 0.721 -7.837 1.939 1.00 0.00 C ATOM 236 CD1 TYR A 17 0.202 -9.122 1.876 1.00 0.00 C ATOM 237 CD2 TYR A 17 2.042 -7.681 2.337 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.975 -10.218 2.185 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.824 -8.774 2.647 1.00 0.00 C ATOM 240 CZ TYR A 17 2.287 -10.040 2.573 1.00 0.00 C ATOM 241 OH TYR A 17 3.070 -11.129 2.882 1.00 0.00 O ATOM 0 H TYR A 17 -2.839 -6.730 2.323 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.277 -6.146 3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.841 -6.923 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.501 -5.858 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.827 -9.265 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.463 -6.689 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.557 -11.212 2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.853 -8.638 2.946 1.00 0.00 H new ATOM 0 HH TYR A 17 3.918 -11.071 2.395 1.00 0.00 H new ATOM 251 N CYS A 18 -0.582 -3.737 3.237 1.00 0.00 N ATOM 252 CA CYS A 18 -0.801 -2.318 3.054 1.00 0.00 C ATOM 253 C CYS A 18 0.280 -1.741 2.160 1.00 0.00 C ATOM 254 O CYS A 18 1.452 -1.691 2.533 1.00 0.00 O ATOM 255 CB CYS A 18 -0.814 -1.593 4.399 1.00 0.00 C ATOM 256 SG CYS A 18 -2.456 -1.507 5.175 1.00 0.00 S ATOM 0 H CYS A 18 0.121 -3.972 3.937 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.772 -2.176 2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.128 -2.098 5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.436 -0.580 4.258 1.00 0.00 H new ATOM 261 N CYS A 19 -0.116 -1.319 0.978 1.00 0.00 N ATOM 262 CA CYS A 19 0.815 -0.722 0.047 1.00 0.00 C ATOM 263 C CYS A 19 0.448 0.734 -0.185 1.00 0.00 C ATOM 264 O CYS A 19 -0.622 1.041 -0.715 1.00 0.00 O ATOM 265 CB CYS A 19 0.826 -1.494 -1.275 1.00 0.00 C ATOM 266 SG CYS A 19 1.524 -3.176 -1.151 1.00 0.00 S ATOM 0 H CYS A 19 -1.076 -1.379 0.640 1.00 0.00 H new ATOM 0 HA CYS A 19 1.818 -0.769 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.195 -1.563 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.399 -0.928 -2.009 1.00 0.00 H new ATOM 271 N GLN A 20 1.332 1.632 0.215 1.00 0.00 N ATOM 272 CA GLN A 20 1.059 3.054 0.100 1.00 0.00 C ATOM 273 C GLN A 20 1.321 3.533 -1.316 1.00 0.00 C ATOM 274 O GLN A 20 2.439 3.456 -1.826 1.00 0.00 O ATOM 275 CB GLN A 20 1.882 3.863 1.106 1.00 0.00 C ATOM 276 CG GLN A 20 3.335 3.446 1.182 1.00 0.00 C ATOM 277 CD GLN A 20 4.098 4.197 2.254 1.00 0.00 C ATOM 278 OE1 GLN A 20 4.405 3.651 3.313 1.00 0.00 O ATOM 279 NE2 GLN A 20 4.413 5.454 1.991 1.00 0.00 N ATOM 0 H GLN A 20 2.240 1.404 0.620 1.00 0.00 H new ATOM 0 HA GLN A 20 0.006 3.212 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.830 4.918 0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.432 3.762 2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.393 2.376 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.810 3.616 0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.141 5.872 1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.928 6.005 2.678 1.00 0.00 H new ATOM 288 N SER A 21 0.270 4.002 -1.956 1.00 0.00 N ATOM 289 CA SER A 21 0.356 4.495 -3.315 1.00 0.00 C ATOM 290 C SER A 21 -0.159 5.928 -3.378 1.00 0.00 C ATOM 291 O SER A 21 -1.096 6.291 -2.664 1.00 0.00 O ATOM 292 CB SER A 21 -0.448 3.588 -4.249 1.00 0.00 C ATOM 293 OG SER A 21 -0.499 2.261 -3.744 1.00 0.00 O ATOM 0 H SER A 21 -0.665 4.052 -1.551 1.00 0.00 H new ATOM 0 HA SER A 21 1.397 4.487 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.460 3.979 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.004 3.587 -5.241 1.00 0.00 H new ATOM 0 HG SER A 21 -1.425 2.033 -3.517 1.00 0.00 H new ATOM 569 N SER A 42 9.770 -7.410 -7.365 1.00 0.00 N ATOM 570 CA SER A 42 8.713 -7.964 -6.537 1.00 0.00 C ATOM 571 C SER A 42 7.948 -6.842 -5.844 1.00 0.00 C ATOM 572 O SER A 42 8.025 -5.683 -6.256 1.00 0.00 O ATOM 573 CB SER A 42 9.302 -8.907 -5.497 1.00 0.00 C ATOM 574 OG SER A 42 10.705 -8.716 -5.378 1.00 0.00 O ATOM 0 HA SER A 42 8.026 -8.522 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.824 -8.736 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.094 -9.940 -5.777 1.00 0.00 H new ATOM 0 HG SER A 42 11.036 -8.227 -6.160 1.00 0.00 H new ATOM 580 N LEU A 43 7.213 -7.183 -4.792 1.00 0.00 N ATOM 581 CA LEU A 43 6.441 -6.196 -4.059 1.00 0.00 C ATOM 582 C LEU A 43 7.049 -5.932 -2.685 1.00 0.00 C ATOM 583 O LEU A 43 6.910 -6.743 -1.765 1.00 0.00 O ATOM 584 CB LEU A 43 4.994 -6.668 -3.912 1.00 0.00 C ATOM 585 CG LEU A 43 3.972 -5.910 -4.755 1.00 0.00 C ATOM 586 CD1 LEU A 43 3.681 -4.547 -4.145 1.00 0.00 C ATOM 587 CD2 LEU A 43 4.470 -5.773 -6.185 1.00 0.00 C ATOM 0 H LEU A 43 7.138 -8.134 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 43 6.459 -5.263 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.945 -7.725 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.707 -6.587 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 43 3.040 -6.476 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.950 -4.022 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.282 -4.676 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.602 -3.965 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.733 -5.231 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.413 -5.227 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.622 -6.764 -6.614 1.00 0.00 H new ATOM 599 N GLY A 44 7.726 -4.801 -2.554 1.00 0.00 N ATOM 600 CA GLY A 44 8.246 -4.394 -1.267 1.00 0.00 C ATOM 601 C GLY A 44 7.171 -3.759 -0.417 1.00 0.00 C ATOM 602 O GLY A 44 7.049 -2.533 -0.369 1.00 0.00 O ATOM 0 H GLY A 44 7.925 -4.156 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.658 -5.260 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.064 -3.688 -1.410 1.00 0.00 H new ATOM 606 N CYS A 45 6.378 -4.594 0.233 1.00 0.00 N ATOM 607 CA CYS A 45 5.268 -4.125 1.044 1.00 0.00 C ATOM 608 C CYS A 45 5.237 -4.855 2.378 1.00 0.00 C ATOM 609 O CYS A 45 5.947 -5.839 2.567 1.00 0.00 O ATOM 610 CB CYS A 45 3.950 -4.302 0.287 1.00 0.00 C ATOM 611 SG CYS A 45 3.489 -2.868 -0.742 1.00 0.00 S ATOM 0 H CYS A 45 6.484 -5.608 0.214 1.00 0.00 H new ATOM 0 HA CYS A 45 5.404 -3.063 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.023 -5.184 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.153 -4.492 1.005 1.00 0.00 H new ATOM 616 N VAL A 46 4.428 -4.362 3.307 1.00 0.00 N ATOM 617 CA VAL A 46 4.355 -4.948 4.637 1.00 0.00 C ATOM 618 C VAL A 46 2.950 -5.444 4.932 1.00 0.00 C ATOM 619 O VAL A 46 1.975 -4.987 4.328 1.00 0.00 O ATOM 620 CB VAL A 46 4.777 -3.941 5.728 1.00 0.00 C ATOM 621 CG1 VAL A 46 6.290 -3.796 5.768 1.00 0.00 C ATOM 622 CG2 VAL A 46 4.114 -2.589 5.505 1.00 0.00 C ATOM 0 H VAL A 46 3.815 -3.560 3.164 1.00 0.00 H new ATOM 0 HA VAL A 46 5.049 -5.788 4.652 1.00 0.00 H new ATOM 0 HB VAL A 46 4.444 -4.327 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.567 -3.082 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.743 -4.763 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.647 -3.439 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.427 -1.897 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.409 -2.195 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.031 -2.705 5.536 1.00 0.00 H new ATOM 632 N VAL A 47 2.855 -6.382 5.863 1.00 0.00 N ATOM 633 CA VAL A 47 1.574 -6.976 6.220 1.00 0.00 C ATOM 634 C VAL A 47 0.700 -5.982 6.970 1.00 0.00 C ATOM 635 O VAL A 47 1.192 -5.172 7.760 1.00 0.00 O ATOM 636 CB VAL A 47 1.737 -8.247 7.082 1.00 0.00 C ATOM 637 CG1 VAL A 47 1.383 -9.488 6.278 1.00 0.00 C ATOM 638 CG2 VAL A 47 3.147 -8.352 7.642 1.00 0.00 C ATOM 0 H VAL A 47 3.650 -6.749 6.386 1.00 0.00 H new ATOM 0 HA VAL A 47 1.096 -7.254 5.281 1.00 0.00 H new ATOM 0 HB VAL A 47 1.048 -8.174 7.923 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.504 -10.373 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.349 -9.420 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.042 -9.561 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.233 -9.256 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.862 -8.394 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.358 -7.481 8.263 1.00 0.00 H new ATOM 648 N GLY A 48 -0.593 -6.046 6.706 1.00 0.00 N ATOM 649 CA GLY A 48 -1.536 -5.170 7.359 1.00 0.00 C ATOM 650 C GLY A 48 -1.978 -5.715 8.698 1.00 0.00 C ATOM 651 O GLY A 48 -2.725 -6.693 8.765 1.00 0.00 O ATOM 0 H GLY A 48 -1.010 -6.698 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.083 -4.188 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.407 -5.031 6.718 1.00 0.00 H new ATOM 655 N VAL A 49 -1.493 -5.102 9.763 1.00 0.00 N ATOM 656 CA VAL A 49 -1.839 -5.520 11.113 1.00 0.00 C ATOM 657 C VAL A 49 -3.285 -5.154 11.438 1.00 0.00 C ATOM 658 O VAL A 49 -3.729 -4.037 11.164 1.00 0.00 O ATOM 659 CB VAL A 49 -0.899 -4.889 12.159 1.00 0.00 C ATOM 660 CG1 VAL A 49 0.240 -5.837 12.487 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.358 -3.551 11.676 1.00 0.00 C ATOM 0 H VAL A 49 -0.854 -4.308 9.720 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.724 -6.603 11.155 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.476 -4.709 13.066 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.895 -5.377 13.227 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.164 -6.766 12.888 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.809 -6.050 11.582 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.302 -3.130 12.435 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.199 -3.697 10.751 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.187 -2.867 11.496 1.00 0.00 H new ATOM 671 N ILE A 50 -4.017 -6.101 12.013 1.00 0.00 N ATOM 672 CA ILE A 50 -5.423 -5.886 12.323 1.00 0.00 C ATOM 673 C ILE A 50 -5.581 -4.908 13.480 1.00 0.00 C ATOM 674 O ILE A 50 -4.803 -4.918 14.436 1.00 0.00 O ATOM 675 CB ILE A 50 -6.157 -7.205 12.653 1.00 0.00 C ATOM 676 CG1 ILE A 50 -5.427 -7.973 13.755 1.00 0.00 C ATOM 677 CG2 ILE A 50 -6.288 -8.065 11.400 1.00 0.00 C ATOM 678 CD1 ILE A 50 -6.356 -8.573 14.788 1.00 0.00 C ATOM 0 H ILE A 50 -3.661 -7.021 12.273 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.879 -5.463 11.428 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.156 -6.960 13.015 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.837 -8.770 13.302 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.728 -7.302 14.253 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.807 -8.991 11.647 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.855 -7.522 10.644 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.296 -8.297 11.013 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.771 -9.103 15.539 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.928 -7.779 15.268 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.039 -9.270 14.302 1.00 0.00 H new ATOM 690 N GLY A 51 -6.575 -4.046 13.371 1.00 0.00 N ATOM 691 CA GLY A 51 -6.794 -3.035 14.379 1.00 0.00 C ATOM 692 C GLY A 51 -6.093 -1.743 14.032 1.00 0.00 C ATOM 693 O GLY A 51 -6.365 -0.697 14.621 1.00 0.00 O ATOM 0 H GLY A 51 -7.239 -4.028 12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.863 -2.852 14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.435 -3.397 15.342 1.00 0.00 H new ATOM 697 N SER A 52 -5.189 -1.816 13.068 1.00 0.00 N ATOM 698 CA SER A 52 -4.465 -0.650 12.606 1.00 0.00 C ATOM 699 C SER A 52 -5.119 -0.095 11.344 1.00 0.00 C ATOM 700 O SER A 52 -5.843 -0.807 10.645 1.00 0.00 O ATOM 701 CB SER A 52 -3.005 -1.021 12.349 1.00 0.00 C ATOM 702 OG SER A 52 -2.495 -1.807 13.418 1.00 0.00 O ATOM 0 H SER A 52 -4.940 -2.681 12.588 1.00 0.00 H new ATOM 0 HA SER A 52 -4.495 0.125 13.372 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.923 -1.573 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.408 -0.116 12.238 1.00 0.00 H new ATOM 0 HG SER A 52 -1.516 -1.772 13.412 1.00 0.00 H new ATOM 708 N GLN A 53 -4.877 1.175 11.058 1.00 0.00 N ATOM 709 CA GLN A 53 -5.520 1.832 9.930 1.00 0.00 C ATOM 710 C GLN A 53 -4.500 2.260 8.881 1.00 0.00 C ATOM 711 O GLN A 53 -3.424 2.768 9.207 1.00 0.00 O ATOM 712 CB GLN A 53 -6.326 3.044 10.406 1.00 0.00 C ATOM 713 CG GLN A 53 -5.575 3.924 11.394 1.00 0.00 C ATOM 714 CD GLN A 53 -6.458 4.985 12.013 1.00 0.00 C ATOM 715 OE1 GLN A 53 -6.811 5.972 11.371 1.00 0.00 O ATOM 716 NE2 GLN A 53 -6.811 4.796 13.274 1.00 0.00 N ATOM 0 H GLN A 53 -4.242 1.770 11.590 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.197 1.113 9.469 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.610 3.643 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.249 2.697 10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.154 3.301 12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.739 4.403 10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.497 3.963 13.772 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.397 5.483 13.748 1.00 0.00 H new ATOM 725 N CYS A 54 -4.841 2.045 7.625 1.00 0.00 N ATOM 726 CA CYS A 54 -3.992 2.448 6.520 1.00 0.00 C ATOM 727 C CYS A 54 -4.683 3.522 5.691 1.00 0.00 C ATOM 728 O CYS A 54 -5.913 3.586 5.644 1.00 0.00 O ATOM 729 CB CYS A 54 -3.663 1.241 5.643 1.00 0.00 C ATOM 730 SG CYS A 54 -2.361 0.161 6.328 1.00 0.00 S ATOM 0 H CYS A 54 -5.709 1.589 7.343 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.065 2.856 6.922 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.569 0.653 5.497 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.349 1.593 4.660 1.00 0.00 H new ATOM 735 N GLY A 55 -3.893 4.368 5.050 1.00 0.00 N ATOM 736 CA GLY A 55 -4.440 5.401 4.198 1.00 0.00 C ATOM 737 C GLY A 55 -3.953 5.254 2.775 1.00 0.00 C ATOM 738 O GLY A 55 -3.472 6.213 2.167 1.00 0.00 O ATOM 0 H GLY A 55 -2.875 4.357 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.529 5.354 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.156 6.381 4.582 1.00 0.00 H new ATOM 742 N ALA A 56 -4.064 4.045 2.245 1.00 0.00 N ATOM 743 CA ALA A 56 -3.565 3.749 0.914 1.00 0.00 C ATOM 744 C ALA A 56 -4.341 2.597 0.289 1.00 0.00 C ATOM 745 O ALA A 56 -5.569 2.556 0.363 1.00 0.00 O ATOM 746 CB ALA A 56 -2.081 3.426 0.982 1.00 0.00 C ATOM 0 H ALA A 56 -4.497 3.252 2.719 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.706 4.626 0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.711 3.204 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.541 4.281 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.926 2.560 1.626 1.00 0.00 H new ATOM 752 N SER A 57 -3.629 1.664 -0.328 1.00 0.00 N ATOM 753 CA SER A 57 -4.259 0.505 -0.938 1.00 0.00 C ATOM 754 C SER A 57 -3.990 -0.752 -0.117 1.00 0.00 C ATOM 755 O SER A 57 -2.838 -1.116 0.131 1.00 0.00 O ATOM 756 CB SER A 57 -3.748 0.323 -2.367 1.00 0.00 C ATOM 757 OG SER A 57 -3.611 1.576 -3.018 1.00 0.00 O ATOM 0 H SER A 57 -2.613 1.689 -0.419 1.00 0.00 H new ATOM 0 HA SER A 57 -5.336 0.671 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.787 -0.190 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.438 -0.309 -2.927 1.00 0.00 H new ATOM 0 HG SER A 57 -3.281 1.436 -3.930 1.00 0.00 H new ATOM 763 N VAL A 58 -5.058 -1.404 0.312 1.00 0.00 N ATOM 764 CA VAL A 58 -4.944 -2.637 1.067 1.00 0.00 C ATOM 765 C VAL A 58 -5.387 -3.809 0.207 1.00 0.00 C ATOM 766 O VAL A 58 -6.530 -3.863 -0.246 1.00 0.00 O ATOM 767 CB VAL A 58 -5.787 -2.605 2.360 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.500 -3.823 3.225 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.526 -1.327 3.139 1.00 0.00 C ATOM 0 H VAL A 58 -6.017 -1.097 0.148 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.898 -2.751 1.351 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.839 -2.628 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.106 -3.777 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.744 -4.729 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.444 -3.837 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.130 -1.324 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.470 -1.272 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.790 -0.466 2.525 1.00 0.00 H new ATOM 779 N LYS A 59 -4.473 -4.728 -0.031 1.00 0.00 N ATOM 780 CA LYS A 59 -4.763 -5.890 -0.851 1.00 0.00 C ATOM 781 C LYS A 59 -4.481 -7.163 -0.076 1.00 0.00 C ATOM 782 O LYS A 59 -3.805 -7.136 0.952 1.00 0.00 O ATOM 783 CB LYS A 59 -3.935 -5.864 -2.139 1.00 0.00 C ATOM 784 CG LYS A 59 -2.434 -5.868 -1.903 1.00 0.00 C ATOM 785 CD LYS A 59 -1.694 -5.179 -3.034 1.00 0.00 C ATOM 786 CE LYS A 59 -1.439 -6.127 -4.197 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.207 -5.398 -5.474 1.00 0.00 N ATOM 0 H LYS A 59 -3.520 -4.694 0.332 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.819 -5.865 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.200 -6.728 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.201 -4.976 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.211 -5.366 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.082 -6.895 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.274 -4.324 -3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.744 -4.791 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.573 -6.750 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.292 -6.796 -4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.038 -6.082 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.043 -4.823 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.378 -4.778 -5.374 1.00 0.00 H new ATOM 801 N CYS A 60 -5.004 -8.270 -0.563 1.00 0.00 N ATOM 802 CA CYS A 60 -4.777 -9.557 0.068 1.00 0.00 C ATOM 803 C CYS A 60 -3.910 -10.423 -0.827 1.00 0.00 C ATOM 804 O CYS A 60 -4.247 -10.660 -1.988 1.00 0.00 O ATOM 805 CB CYS A 60 -6.104 -10.256 0.352 1.00 0.00 C ATOM 806 SG CYS A 60 -7.133 -9.420 1.602 1.00 0.00 S ATOM 0 H CYS A 60 -5.591 -8.305 -1.396 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.263 -9.397 1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.669 -10.331 -0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.902 -11.274 0.685 1.00 0.00 H new ATOM 811 N CYS A 61 -2.793 -10.886 -0.299 1.00 0.00 N ATOM 812 CA CYS A 61 -1.871 -11.684 -1.088 1.00 0.00 C ATOM 813 C CYS A 61 -1.425 -12.926 -0.325 1.00 0.00 C ATOM 814 O CYS A 61 -1.355 -12.926 0.905 1.00 0.00 O ATOM 815 CB CYS A 61 -0.658 -10.847 -1.505 1.00 0.00 C ATOM 816 SG CYS A 61 -1.052 -9.480 -2.651 1.00 0.00 S ATOM 0 H CYS A 61 -2.502 -10.726 0.666 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.395 -12.011 -1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.191 -10.434 -0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.076 -11.501 -1.975 1.00 0.00 H new ATOM 821 N LYS A 62 -1.169 -13.992 -1.067 1.00 0.00 N ATOM 822 CA LYS A 62 -0.637 -15.218 -0.507 1.00 0.00 C ATOM 823 C LYS A 62 0.561 -15.675 -1.321 1.00 0.00 C ATOM 824 O LYS A 62 0.575 -15.558 -2.552 1.00 0.00 O ATOM 825 CB LYS A 62 -1.702 -16.317 -0.466 1.00 0.00 C ATOM 826 CG LYS A 62 -1.384 -17.435 0.517 1.00 0.00 C ATOM 827 CD LYS A 62 -1.810 -17.073 1.933 1.00 0.00 C ATOM 828 CE LYS A 62 -1.027 -17.855 2.979 1.00 0.00 C ATOM 829 NZ LYS A 62 -1.867 -18.866 3.677 1.00 0.00 N ATOM 0 H LYS A 62 -1.325 -14.029 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.323 -15.020 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.661 -15.873 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.813 -16.742 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.891 -18.349 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.314 -17.642 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.664 -16.005 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.875 -17.271 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.185 -18.354 2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.613 -17.162 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.271 -19.661 3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.316 -18.430 4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.602 -19.214 3.029 1.00 0.00 H new ATOM 843 N ASP A 63 1.564 -16.169 -0.611 1.00 0.00 N ATOM 844 CA ASP A 63 2.816 -16.633 -1.199 1.00 0.00 C ATOM 845 C ASP A 63 3.742 -17.092 -0.085 1.00 0.00 C ATOM 846 O ASP A 63 3.353 -17.084 1.087 1.00 0.00 O ATOM 847 CB ASP A 63 3.505 -15.535 -2.032 1.00 0.00 C ATOM 848 CG ASP A 63 3.421 -14.145 -1.417 1.00 0.00 C ATOM 849 OD1 ASP A 63 3.345 -14.027 -0.172 1.00 0.00 O ATOM 850 OD2 ASP A 63 3.420 -13.164 -2.189 1.00 0.00 O ATOM 0 H ASP A 63 1.533 -16.261 0.404 1.00 0.00 H new ATOM 0 HA ASP A 63 2.591 -17.459 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.554 -15.799 -2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.054 -15.510 -3.024 1.00 0.00 H new ATOM 855 N ASP A 64 4.952 -17.496 -0.439 1.00 0.00 N ATOM 856 CA ASP A 64 5.923 -17.934 0.553 1.00 0.00 C ATOM 857 C ASP A 64 6.832 -16.784 0.969 1.00 0.00 C ATOM 858 O ASP A 64 7.589 -16.242 0.158 1.00 0.00 O ATOM 859 CB ASP A 64 6.773 -19.096 0.025 1.00 0.00 C ATOM 860 CG ASP A 64 8.095 -19.235 0.768 1.00 0.00 C ATOM 861 OD1 ASP A 64 8.077 -19.437 2.002 1.00 0.00 O ATOM 862 OD2 ASP A 64 9.163 -19.140 0.121 1.00 0.00 O ATOM 0 H ASP A 64 5.285 -17.530 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 64 5.364 -18.278 1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.210 -20.025 0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.970 -18.945 -1.036 1.00 0.00 H new ATOM 867 N VAL A 65 6.746 -16.415 2.235 1.00 0.00 N ATOM 868 CA VAL A 65 7.654 -15.440 2.812 1.00 0.00 C ATOM 869 C VAL A 65 8.336 -16.036 4.027 1.00 0.00 C ATOM 870 O VAL A 65 7.797 -16.021 5.134 1.00 0.00 O ATOM 871 CB VAL A 65 6.959 -14.139 3.239 1.00 0.00 C ATOM 872 CG1 VAL A 65 7.973 -13.010 3.338 1.00 0.00 C ATOM 873 CG2 VAL A 65 5.834 -13.770 2.283 1.00 0.00 C ATOM 0 H VAL A 65 6.051 -16.779 2.887 1.00 0.00 H new ATOM 0 HA VAL A 65 8.373 -15.191 2.031 1.00 0.00 H new ATOM 0 HB VAL A 65 6.515 -14.300 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.468 -12.093 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.733 -13.267 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.446 -12.860 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.364 -12.844 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.239 -13.632 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.092 -14.569 2.268 1.00 0.00 H new ATOM 883 N THR A 66 9.505 -16.584 3.808 1.00 0.00 N ATOM 884 CA THR A 66 10.278 -17.173 4.882 1.00 0.00 C ATOM 885 C THR A 66 11.318 -16.180 5.386 1.00 0.00 C ATOM 886 O THR A 66 11.915 -15.443 4.598 1.00 0.00 O ATOM 887 CB THR A 66 10.971 -18.468 4.421 1.00 0.00 C ATOM 888 OG1 THR A 66 10.680 -18.710 3.034 1.00 0.00 O ATOM 889 CG2 THR A 66 10.498 -19.652 5.248 1.00 0.00 C ATOM 0 H THR A 66 9.948 -16.636 2.891 1.00 0.00 H new ATOM 0 HA THR A 66 9.594 -17.421 5.693 1.00 0.00 H new ATOM 0 HB THR A 66 12.046 -18.350 4.556 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.733 -18.941 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.999 -20.558 4.907 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.734 -19.480 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.420 -19.769 5.133 1.00 0.00 H new ATOM 897 N ASN A 67 11.526 -16.158 6.695 1.00 0.00 N ATOM 898 CA ASN A 67 12.449 -15.209 7.308 1.00 0.00 C ATOM 899 C ASN A 67 13.889 -15.666 7.124 1.00 0.00 C ATOM 900 O ASN A 67 14.437 -16.412 7.939 1.00 0.00 O ATOM 901 CB ASN A 67 12.139 -15.056 8.796 1.00 0.00 C ATOM 902 CG ASN A 67 13.000 -14.006 9.480 1.00 0.00 C ATOM 903 OD1 ASN A 67 13.475 -13.058 8.851 1.00 0.00 O ATOM 904 ND2 ASN A 67 13.222 -14.179 10.773 1.00 0.00 N ATOM 0 H ASN A 67 11.068 -16.787 7.355 1.00 0.00 H new ATOM 0 HA ASN A 67 12.324 -14.244 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.089 -14.791 8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.284 -16.016 9.292 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.804 -13.515 11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.811 -14.976 11.259 1.00 0.00 H new ATOM 911 N THR A 68 14.476 -15.231 6.029 1.00 0.00 N ATOM 912 CA THR A 68 15.866 -15.521 5.725 1.00 0.00 C ATOM 913 C THR A 68 16.487 -14.361 4.955 1.00 0.00 C ATOM 914 O THR A 68 16.678 -14.429 3.738 1.00 0.00 O ATOM 915 CB THR A 68 16.012 -16.819 4.910 1.00 0.00 C ATOM 916 OG1 THR A 68 14.719 -17.399 4.664 1.00 0.00 O ATOM 917 CG2 THR A 68 16.890 -17.817 5.645 1.00 0.00 C ATOM 0 H THR A 68 14.005 -14.666 5.323 1.00 0.00 H new ATOM 0 HA THR A 68 16.388 -15.656 6.672 1.00 0.00 H new ATOM 0 HB THR A 68 16.482 -16.573 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.824 -18.223 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.981 -18.727 5.052 1.00 0.00 H new ATOM 0 HG22 THR A 68 17.879 -17.386 5.801 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.441 -18.055 6.610 1.00 0.00 H new ATOM 925 N GLY A 69 16.772 -13.289 5.675 1.00 0.00 N ATOM 926 CA GLY A 69 17.296 -12.088 5.063 1.00 0.00 C ATOM 927 C GLY A 69 16.355 -10.921 5.254 1.00 0.00 C ATOM 928 O GLY A 69 16.602 -10.036 6.076 1.00 0.00 O ATOM 0 H GLY A 69 16.648 -13.230 6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 69 18.267 -11.850 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.456 -12.259 3.998 1.00 0.00 H new ATOM 932 N ASN A 70 15.263 -10.928 4.505 1.00 0.00 N ATOM 933 CA ASN A 70 14.235 -9.910 4.651 1.00 0.00 C ATOM 934 C ASN A 70 13.359 -10.243 5.851 1.00 0.00 C ATOM 935 O ASN A 70 12.726 -11.296 5.892 1.00 0.00 O ATOM 936 CB ASN A 70 13.361 -9.810 3.391 1.00 0.00 C ATOM 937 CG ASN A 70 14.079 -10.218 2.118 1.00 0.00 C ATOM 938 OD1 ASN A 70 14.308 -11.406 1.870 1.00 0.00 O ATOM 939 ND2 ASN A 70 14.421 -9.242 1.293 1.00 0.00 N ATOM 0 H ASN A 70 15.066 -11.628 3.790 1.00 0.00 H new ATOM 0 HA ASN A 70 14.727 -8.949 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.481 -10.440 3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.007 -8.785 3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.892 -9.458 0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.214 -8.273 1.535 1.00 0.00 H new ATOM 946 N SER A 71 13.338 -9.350 6.829 1.00 0.00 N ATOM 947 CA SER A 71 12.548 -9.561 8.033 1.00 0.00 C ATOM 948 C SER A 71 11.163 -8.933 7.886 1.00 0.00 C ATOM 949 O SER A 71 10.321 -9.039 8.776 1.00 0.00 O ATOM 950 CB SER A 71 13.289 -8.989 9.240 1.00 0.00 C ATOM 951 OG SER A 71 14.691 -9.062 9.036 1.00 0.00 O ATOM 0 H SER A 71 13.858 -8.473 6.813 1.00 0.00 H new ATOM 0 HA SER A 71 12.408 -10.631 8.186 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.991 -7.953 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.016 -9.542 10.139 1.00 0.00 H new ATOM 0 HG SER A 71 15.155 -8.691 9.815 1.00 0.00 H new ATOM 957 N PHE A 72 10.946 -8.263 6.764 1.00 0.00 N ATOM 958 CA PHE A 72 9.620 -7.776 6.412 1.00 0.00 C ATOM 959 C PHE A 72 8.992 -8.747 5.425 1.00 0.00 C ATOM 960 O PHE A 72 9.703 -9.385 4.642 1.00 0.00 O ATOM 961 CB PHE A 72 9.681 -6.351 5.827 1.00 0.00 C ATOM 962 CG PHE A 72 10.043 -6.280 4.369 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.346 -6.500 3.948 1.00 0.00 C ATOM 964 CD2 PHE A 72 9.079 -5.978 3.420 1.00 0.00 C ATOM 965 CE1 PHE A 72 11.677 -6.424 2.609 1.00 0.00 C ATOM 966 CE2 PHE A 72 9.405 -5.904 2.081 1.00 0.00 C ATOM 967 CZ PHE A 72 10.705 -6.124 1.676 1.00 0.00 C ATOM 0 H PHE A 72 11.671 -8.044 6.081 1.00 0.00 H new ATOM 0 HA PHE A 72 9.006 -7.720 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.711 -5.874 5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.408 -5.771 6.396 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.110 -6.733 4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.061 -5.798 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.695 -6.599 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.643 -5.674 1.351 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.962 -6.062 0.629 1.00 0.00 H new ATOM 977 N LEU A 73 7.677 -8.886 5.464 1.00 0.00 N ATOM 978 CA LEU A 73 7.014 -9.845 4.600 1.00 0.00 C ATOM 979 C LEU A 73 6.923 -9.313 3.177 1.00 0.00 C ATOM 980 O LEU A 73 5.960 -8.644 2.809 1.00 0.00 O ATOM 981 CB LEU A 73 5.620 -10.186 5.138 1.00 0.00 C ATOM 982 CG LEU A 73 5.546 -11.471 5.962 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.903 -11.194 7.414 1.00 0.00 C ATOM 984 CD2 LEU A 73 4.157 -12.087 5.861 1.00 0.00 C ATOM 0 H LEU A 73 7.056 -8.355 6.075 1.00 0.00 H new ATOM 0 HA LEU A 73 7.608 -10.759 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.271 -9.357 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.932 -10.271 4.297 1.00 0.00 H new ATOM 0 HG LEU A 73 6.269 -12.182 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.845 -12.120 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.916 -10.796 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.204 -10.467 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.121 -13.001 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.417 -11.381 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.937 -12.321 4.819 1.00 0.00 H new ATOM 996 N ILE A 74 7.932 -9.643 2.379 1.00 0.00 N ATOM 997 CA ILE A 74 7.975 -9.251 0.982 1.00 0.00 C ATOM 998 C ILE A 74 7.037 -10.134 0.172 1.00 0.00 C ATOM 999 O ILE A 74 7.028 -11.358 0.325 1.00 0.00 O ATOM 1000 CB ILE A 74 9.417 -9.336 0.416 1.00 0.00 C ATOM 1001 CG1 ILE A 74 9.419 -9.192 -1.109 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.087 -10.641 0.827 1.00 0.00 C ATOM 1003 CD1 ILE A 74 10.179 -7.978 -1.602 1.00 0.00 C ATOM 0 H ILE A 74 8.739 -10.188 2.684 1.00 0.00 H new ATOM 0 HA ILE A 74 7.650 -8.213 0.907 1.00 0.00 H new ATOM 0 HB ILE A 74 9.988 -8.509 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.856 -10.088 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.389 -9.134 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.097 -10.676 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.134 -10.699 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.510 -11.483 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.138 -7.940 -2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.728 -7.075 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 74 11.218 -8.044 -1.280 1.00 0.00 H new ATOM 1015 N ILE A 75 6.237 -9.515 -0.675 1.00 0.00 N ATOM 1016 CA ILE A 75 5.245 -10.246 -1.436 1.00 0.00 C ATOM 1017 C ILE A 75 5.783 -10.634 -2.806 1.00 0.00 C ATOM 1018 O ILE A 75 6.456 -9.845 -3.477 1.00 0.00 O ATOM 1019 CB ILE A 75 3.935 -9.446 -1.610 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.039 -8.059 -0.971 1.00 0.00 C ATOM 1021 CG2 ILE A 75 2.775 -10.206 -0.999 1.00 0.00 C ATOM 1022 CD1 ILE A 75 2.801 -7.209 -1.173 1.00 0.00 C ATOM 0 H ILE A 75 6.255 -8.511 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 75 5.022 -11.147 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 75 3.763 -9.316 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.223 -8.172 0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.900 -7.538 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.857 -9.633 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.672 -11.172 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.961 -10.360 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.943 -6.240 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.628 -7.066 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.940 -7.709 -0.730 1.00 0.00 H new ATOM 1034 N ASN A 76 5.482 -11.858 -3.212 1.00 0.00 N ATOM 1035 CA ASN A 76 5.864 -12.354 -4.528 1.00 0.00 C ATOM 1036 C ASN A 76 4.812 -11.932 -5.538 1.00 0.00 C ATOM 1037 O ASN A 76 5.055 -11.924 -6.746 1.00 0.00 O ATOM 1038 CB ASN A 76 5.989 -13.883 -4.500 1.00 0.00 C ATOM 1039 CG ASN A 76 6.690 -14.447 -5.727 1.00 0.00 C ATOM 1040 OD1 ASN A 76 6.068 -14.693 -6.762 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.987 -14.685 -5.614 1.00 0.00 N ATOM 0 H ASN A 76 4.970 -12.533 -2.644 1.00 0.00 H new ATOM 0 HA ASN A 76 6.830 -11.936 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.538 -14.180 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.994 -14.322 -4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.503 -15.084 -6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.471 -14.469 -4.742 1.00 0.00 H new ATOM 1048 N ALA A 77 3.640 -11.581 -5.006 1.00 0.00 N ATOM 1049 CA ALA A 77 2.494 -11.156 -5.805 1.00 0.00 C ATOM 1050 C ALA A 77 1.972 -12.309 -6.651 1.00 0.00 C ATOM 1051 O ALA A 77 1.328 -12.103 -7.678 1.00 0.00 O ATOM 1052 CB ALA A 77 2.840 -9.950 -6.667 1.00 0.00 C ATOM 0 H ALA A 77 3.460 -11.584 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 77 1.700 -10.852 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.967 -9.657 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.144 -9.121 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.657 -10.207 -7.341 1.00 0.00 H new ATOM 1058 N ALA A 78 2.247 -13.524 -6.196 1.00 0.00 N ATOM 1059 CA ALA A 78 1.798 -14.720 -6.889 1.00 0.00 C ATOM 1060 C ALA A 78 0.285 -14.851 -6.791 1.00 0.00 C ATOM 1061 O ALA A 78 -0.408 -14.952 -7.802 1.00 0.00 O ATOM 1062 CB ALA A 78 2.484 -15.950 -6.314 1.00 0.00 C ATOM 0 H ALA A 78 2.781 -13.706 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 78 2.066 -14.638 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.139 -16.839 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.563 -15.854 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.242 -16.040 -5.255 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.222 -14.843 -5.569 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.657 -14.911 -5.339 1.00 0.00 C ATOM 1070 C ASN A 79 -2.135 -13.618 -4.705 1.00 0.00 C ATOM 1071 O ASN A 79 -2.131 -13.485 -3.485 1.00 0.00 O ATOM 1072 CB ASN A 79 -2.008 -16.085 -4.419 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.283 -17.368 -4.779 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.790 -18.184 -5.548 1.00 0.00 O ATOM 1075 ND2 ASN A 79 -0.099 -17.559 -4.219 1.00 0.00 N ATOM 0 H ASN A 79 0.340 -14.790 -4.719 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.151 -15.059 -6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.767 -15.816 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.083 -16.260 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.429 -18.408 -4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.285 -16.857 -3.587 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.527 -12.659 -5.519 1.00 0.00 N ATOM 1083 CA CYS A 80 -3.001 -11.388 -4.999 1.00 0.00 C ATOM 1084 C CYS A 80 -4.415 -11.104 -5.483 1.00 0.00 C ATOM 1085 O CYS A 80 -4.698 -11.180 -6.679 1.00 0.00 O ATOM 1086 CB CYS A 80 -2.063 -10.252 -5.418 1.00 0.00 C ATOM 1087 SG CYS A 80 -0.502 -10.186 -4.475 1.00 0.00 S ATOM 0 H CYS A 80 -2.528 -12.732 -6.536 1.00 0.00 H new ATOM 0 HA CYS A 80 -3.012 -11.449 -3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.830 -10.360 -6.477 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.585 -9.303 -5.301 1.00 0.00 H new ATOM 1092 N VAL A 81 -5.296 -10.767 -4.552 1.00 0.00 N ATOM 1093 CA VAL A 81 -6.671 -10.443 -4.884 1.00 0.00 C ATOM 1094 C VAL A 81 -7.003 -9.027 -4.441 1.00 0.00 C ATOM 1095 O VAL A 81 -6.708 -8.634 -3.306 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.680 -11.429 -4.254 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.823 -12.671 -5.121 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -7.266 -11.807 -2.838 1.00 0.00 C ATOM 0 H VAL A 81 -5.079 -10.711 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.760 -10.525 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.648 -10.932 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.537 -13.355 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.179 -12.385 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.855 -13.165 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.994 -12.502 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.284 -12.280 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.223 -10.910 -2.220 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.594 -8.269 -5.349 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.983 -6.892 -5.093 1.00 0.00 C ATOM 1110 C ALA A 82 -8.841 -6.393 -6.244 1.00 0.00 C ATOM 1111 O ALA A 82 -8.273 -6.046 -7.298 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.755 -6.003 -4.921 1.00 0.00 C ATOM 1113 OXT ALA A 82 -10.086 -6.390 -6.109 1.00 0.00 O ATOM 0 H ALA A 82 -7.819 -8.593 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.556 -6.851 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.072 -4.978 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.161 -6.361 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.153 -6.034 -5.829 1.00 0.00 H new