USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 5 ASN : amide:sc= 0.567 K(o=-0.051,f=-2.3) USER MOD Set 1.2: A 6 HIS : no HD1:sc= -1.26 K(o=-0.051,f=-2.3!) USER MOD Set 1.3: A 13 THR OG1 : rot 78:sc= 0.646 USER MOD Single : A 1 ARG N :NH3+ -164:sc= 3.25 (180deg=2.35) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 80:sc= 0.382 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 39:sc= 0.763 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= 0.76! (180deg=-2.91!) USER MOD Single : A 25 ASN : amide:sc= -4.22! C(o=-4.2!,f=-4.8!) USER MOD Single : A 28 THR OG1 : rot -109:sc= 1.24 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -140:sc= -0.541! (180deg=-7!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.965 24.805 67.409 1.00 0.00 N ATOM 2 CA ARG A 1 39.527 25.164 66.981 1.00 0.00 C ATOM 3 C ARG A 1 39.516 25.409 65.444 1.00 0.00 C ATOM 4 O ARG A 1 40.585 25.484 64.845 1.00 0.00 O ATOM 5 CB ARG A 1 39.102 26.450 67.720 1.00 0.00 C ATOM 6 CG ARG A 1 37.592 26.760 67.929 1.00 0.00 C ATOM 7 CD ARG A 1 36.584 25.641 68.295 1.00 0.00 C ATOM 8 NE ARG A 1 36.805 24.652 69.371 1.00 0.00 N ATOM 9 CZ ARG A 1 37.712 24.640 70.325 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.227 25.737 70.798 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.097 23.495 70.819 1.00 0.00 N ATOM 0 H1 ARG A 1 40.949 24.379 68.358 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.370 24.127 66.732 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.547 25.666 67.426 1.00 0.00 H new ATOM 0 HA ARG A 1 38.836 24.358 67.227 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.568 26.428 68.705 1.00 0.00 H new ATOM 0 HB3 ARG A 1 39.535 27.293 67.181 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.528 27.514 68.713 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.233 27.224 67.010 1.00 0.00 H new ATOM 0 HD2 ARG A 1 35.645 26.142 68.529 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.421 25.067 67.383 1.00 0.00 H new ATOM 0 HE ARG A 1 36.159 23.862 69.375 1.00 0.00 H new ATOM 0 HH11 ARG A 1 37.930 26.640 70.429 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.928 25.694 71.538 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.696 22.626 70.465 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.799 23.469 71.559 1.00 0.00 H new ATOM 27 N ILE A 2 38.295 25.550 64.802 1.00 0.00 N ATOM 28 CA ILE A 2 38.210 25.760 63.341 1.00 0.00 C ATOM 29 C ILE A 2 37.791 27.236 63.051 1.00 0.00 C ATOM 30 O ILE A 2 36.829 27.769 63.606 1.00 0.00 O ATOM 31 CB ILE A 2 37.183 24.889 62.558 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.228 23.378 62.906 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.276 25.153 61.023 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.413 22.970 64.147 1.00 0.00 C ATOM 0 H ILE A 2 37.393 25.520 65.278 1.00 0.00 H new ATOM 0 HA ILE A 2 39.206 25.481 62.998 1.00 0.00 H new ATOM 0 HB ILE A 2 36.199 25.212 62.896 1.00 0.00 H new ATOM 0 HG12 ILE A 2 36.863 22.812 62.049 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.267 23.087 63.061 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.548 24.531 60.502 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.067 26.204 60.821 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.279 24.909 60.672 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.508 21.896 64.307 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.790 23.502 65.021 1.00 0.00 H new ATOM 0 HD13 ILE A 2 35.364 23.223 63.993 1.00 0.00 H new ATOM 46 N CYS A 3 38.533 27.884 62.077 1.00 0.00 N ATOM 47 CA CYS A 3 38.012 29.107 61.472 1.00 0.00 C ATOM 48 C CYS A 3 38.314 29.087 59.936 1.00 0.00 C ATOM 49 O CYS A 3 39.049 28.249 59.421 1.00 0.00 O ATOM 50 CB CYS A 3 38.510 30.433 62.083 1.00 0.00 C ATOM 51 SG CYS A 3 38.035 30.875 63.800 1.00 0.00 S ATOM 0 H CYS A 3 39.442 27.576 61.730 1.00 0.00 H new ATOM 0 HA CYS A 3 36.942 29.095 61.681 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.599 30.424 62.038 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.171 31.239 61.433 1.00 0.00 H new ATOM 56 N TYR A 4 37.671 30.052 59.193 1.00 0.00 N ATOM 57 CA TYR A 4 37.812 30.123 57.739 1.00 0.00 C ATOM 58 C TYR A 4 39.176 30.798 57.361 1.00 0.00 C ATOM 59 O TYR A 4 39.593 31.756 58.011 1.00 0.00 O ATOM 60 CB TYR A 4 36.719 31.048 57.161 1.00 0.00 C ATOM 61 CG TYR A 4 35.326 30.813 57.715 1.00 0.00 C ATOM 62 CD1 TYR A 4 34.955 31.337 58.955 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.368 30.089 57.016 1.00 0.00 C ATOM 64 CE1 TYR A 4 33.709 31.102 59.506 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.095 29.875 57.531 1.00 0.00 C ATOM 66 CZ TYR A 4 32.744 30.368 58.791 1.00 0.00 C ATOM 67 OH TYR A 4 31.520 30.172 59.354 1.00 0.00 O ATOM 0 H TYR A 4 37.065 30.769 59.593 1.00 0.00 H new ATOM 0 HA TYR A 4 37.744 29.108 57.347 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.001 32.083 57.353 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.690 30.921 56.079 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.663 31.944 59.500 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.619 29.682 56.048 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.475 31.483 60.489 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.370 29.322 56.952 1.00 0.00 H new ATOM 0 HH TYR A 4 30.959 29.649 58.744 1.00 0.00 H new ATOM 77 N ASN A 5 39.842 30.352 56.230 1.00 0.00 N ATOM 78 CA ASN A 5 41.072 31.029 55.767 1.00 0.00 C ATOM 79 C ASN A 5 41.017 31.291 54.229 1.00 0.00 C ATOM 80 O ASN A 5 42.053 31.361 53.571 1.00 0.00 O ATOM 81 CB ASN A 5 42.383 30.332 56.193 1.00 0.00 C ATOM 82 CG ASN A 5 42.642 29.038 55.426 1.00 0.00 C ATOM 83 OD1 ASN A 5 41.773 28.313 54.975 1.00 0.00 O ATOM 84 ND2 ASN A 5 43.956 28.750 55.281 1.00 0.00 N ATOM 0 H ASN A 5 39.546 29.560 55.660 1.00 0.00 H new ATOM 0 HA ASN A 5 41.096 31.990 56.281 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.219 31.014 56.038 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.343 30.114 57.260 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.241 27.907 54.783 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.661 29.376 55.670 1.00 0.00 H new ATOM 91 N HIS A 6 39.770 31.525 53.673 1.00 0.00 N ATOM 92 CA HIS A 6 39.514 31.741 52.259 1.00 0.00 C ATOM 93 C HIS A 6 39.860 33.181 51.757 1.00 0.00 C ATOM 94 O HIS A 6 40.467 33.975 52.471 1.00 0.00 O ATOM 95 CB HIS A 6 39.959 30.575 51.298 1.00 0.00 C ATOM 96 CG HIS A 6 41.341 30.601 50.658 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.095 31.759 50.382 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.082 29.599 50.089 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.213 31.485 49.720 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.222 30.159 49.538 1.00 0.00 N ATOM 0 H HIS A 6 38.922 31.562 54.238 1.00 0.00 H new ATOM 0 HA HIS A 6 38.427 31.690 52.192 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.879 29.644 51.859 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.229 30.524 50.490 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.821 28.551 50.073 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.964 32.190 49.394 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.960 29.638 49.064 1.00 0.00 H new ATOM 109 N LEU A 7 39.399 33.499 50.486 1.00 0.00 N ATOM 110 CA LEU A 7 39.485 34.846 49.929 1.00 0.00 C ATOM 111 C LEU A 7 40.945 35.312 49.587 1.00 0.00 C ATOM 112 O LEU A 7 41.909 34.555 49.672 1.00 0.00 O ATOM 113 CB LEU A 7 38.688 35.857 50.784 1.00 0.00 C ATOM 114 CG LEU A 7 37.165 35.590 50.898 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.530 36.425 52.022 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.453 35.885 49.569 1.00 0.00 C ATOM 0 H LEU A 7 38.971 32.819 49.858 1.00 0.00 H new ATOM 0 HA LEU A 7 39.001 34.807 48.953 1.00 0.00 H new ATOM 0 HB2 LEU A 7 39.112 35.869 51.788 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.833 36.853 50.365 1.00 0.00 H new ATOM 0 HG LEU A 7 37.042 34.534 51.139 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.462 36.213 52.074 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.997 36.170 52.973 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.680 37.485 51.817 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.386 35.690 49.677 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.605 36.930 49.299 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.862 35.245 48.787 1.00 0.00 H new ATOM 128 N GLY A 8 41.054 36.593 49.071 1.00 0.00 N ATOM 129 CA GLY A 8 42.329 37.123 48.587 1.00 0.00 C ATOM 130 C GLY A 8 42.634 36.769 47.099 1.00 0.00 C ATOM 131 O GLY A 8 43.798 36.880 46.723 1.00 0.00 O ATOM 0 H GLY A 8 40.272 37.243 48.993 1.00 0.00 H new ATOM 0 HA2 GLY A 8 42.327 38.207 48.700 1.00 0.00 H new ATOM 0 HA3 GLY A 8 43.133 36.739 49.214 1.00 0.00 H new ATOM 135 N THR A 9 41.595 36.403 46.247 1.00 0.00 N ATOM 136 CA THR A 9 41.602 36.089 44.787 1.00 0.00 C ATOM 137 C THR A 9 41.435 34.556 44.568 1.00 0.00 C ATOM 138 O THR A 9 40.772 34.132 43.623 1.00 0.00 O ATOM 139 CB THR A 9 42.854 36.567 44.013 1.00 0.00 C ATOM 140 OG1 THR A 9 43.156 37.954 44.205 1.00 0.00 O ATOM 141 CG2 THR A 9 42.777 36.410 42.490 1.00 0.00 C ATOM 0 H THR A 9 40.649 36.318 46.620 1.00 0.00 H new ATOM 0 HA THR A 9 40.761 36.650 44.380 1.00 0.00 H new ATOM 0 HB THR A 9 43.616 35.912 44.435 1.00 0.00 H new ATOM 0 HG1 THR A 9 43.625 38.072 45.057 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.701 36.773 42.040 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.639 35.358 42.239 1.00 0.00 H new ATOM 0 HG23 THR A 9 41.936 36.987 42.107 1.00 0.00 H new ATOM 149 N LYS A 10 42.067 33.713 45.464 1.00 0.00 N ATOM 150 CA LYS A 10 42.025 32.244 45.343 1.00 0.00 C ATOM 151 C LYS A 10 40.740 31.606 46.000 1.00 0.00 C ATOM 152 O LYS A 10 40.089 32.231 46.835 1.00 0.00 O ATOM 153 CB LYS A 10 43.318 31.641 45.939 1.00 0.00 C ATOM 154 CG LYS A 10 44.635 32.142 45.263 1.00 0.00 C ATOM 155 CD LYS A 10 44.708 31.999 43.718 1.00 0.00 C ATOM 156 CE LYS A 10 45.986 32.620 43.123 1.00 0.00 C ATOM 157 NZ LYS A 10 46.022 32.499 41.594 1.00 0.00 N ATOM 0 H LYS A 10 42.603 34.046 46.266 1.00 0.00 H new ATOM 0 HA LYS A 10 41.965 32.002 44.282 1.00 0.00 H new ATOM 0 HB2 LYS A 10 43.358 31.876 47.003 1.00 0.00 H new ATOM 0 HB3 LYS A 10 43.271 30.555 45.854 1.00 0.00 H new ATOM 0 HG2 LYS A 10 44.773 33.193 45.517 1.00 0.00 H new ATOM 0 HG3 LYS A 10 45.473 31.597 45.698 1.00 0.00 H new ATOM 0 HD2 LYS A 10 44.665 30.943 43.453 1.00 0.00 H new ATOM 0 HD3 LYS A 10 43.835 32.476 43.271 1.00 0.00 H new ATOM 0 HE2 LYS A 10 46.044 33.671 43.406 1.00 0.00 H new ATOM 0 HE3 LYS A 10 46.861 32.127 43.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 46.897 32.929 41.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 45.992 31.495 41.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 45.201 32.991 41.187 1.00 0.00 H new ATOM 171 N PRO A 11 40.409 30.300 45.618 1.00 0.00 N ATOM 172 CA PRO A 11 39.082 29.764 46.000 1.00 0.00 C ATOM 173 C PRO A 11 38.858 29.429 47.513 1.00 0.00 C ATOM 174 O PRO A 11 39.813 29.246 48.260 1.00 0.00 O ATOM 175 CB PRO A 11 38.926 28.452 45.200 1.00 0.00 C ATOM 176 CG PRO A 11 39.763 28.723 43.945 1.00 0.00 C ATOM 177 CD PRO A 11 40.959 29.478 44.530 1.00 0.00 C ATOM 0 HA PRO A 11 38.354 30.547 45.787 1.00 0.00 H new ATOM 0 HB2 PRO A 11 39.297 27.591 45.757 1.00 0.00 H new ATOM 0 HB3 PRO A 11 37.884 28.248 44.956 1.00 0.00 H new ATOM 0 HG2 PRO A 11 40.064 27.802 43.446 1.00 0.00 H new ATOM 0 HG3 PRO A 11 39.221 29.320 43.212 1.00 0.00 H new ATOM 0 HD2 PRO A 11 41.715 28.787 44.903 1.00 0.00 H new ATOM 0 HD3 PRO A 11 41.440 30.098 43.774 1.00 0.00 H new ATOM 185 N PRO A 12 37.537 29.244 47.922 1.00 0.00 N ATOM 186 CA PRO A 12 37.160 28.922 49.313 1.00 0.00 C ATOM 187 C PRO A 12 37.880 27.679 49.954 1.00 0.00 C ATOM 188 O PRO A 12 38.095 26.647 49.326 1.00 0.00 O ATOM 189 CB PRO A 12 35.651 28.646 49.225 1.00 0.00 C ATOM 190 CG PRO A 12 35.206 29.723 48.226 1.00 0.00 C ATOM 191 CD PRO A 12 36.343 29.695 47.194 1.00 0.00 C ATOM 0 HA PRO A 12 37.455 29.747 49.962 1.00 0.00 H new ATOM 0 HB2 PRO A 12 35.438 27.639 48.866 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.157 28.752 50.191 1.00 0.00 H new ATOM 0 HG2 PRO A 12 34.241 29.488 47.776 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.108 30.701 48.698 1.00 0.00 H new ATOM 0 HD2 PRO A 12 36.108 29.019 46.372 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.500 30.682 46.759 1.00 0.00 H new ATOM 199 N THR A 13 38.199 27.817 51.300 1.00 0.00 N ATOM 200 CA THR A 13 38.862 26.795 52.123 1.00 0.00 C ATOM 201 C THR A 13 38.729 27.222 53.628 1.00 0.00 C ATOM 202 O THR A 13 38.648 28.404 53.968 1.00 0.00 O ATOM 203 CB THR A 13 40.383 26.470 51.971 1.00 0.00 C ATOM 204 OG1 THR A 13 41.276 27.562 52.208 1.00 0.00 O ATOM 205 CG2 THR A 13 40.775 25.812 50.643 1.00 0.00 C ATOM 0 H THR A 13 37.986 28.666 51.823 1.00 0.00 H new ATOM 0 HA THR A 13 38.347 25.902 51.768 1.00 0.00 H new ATOM 0 HB THR A 13 40.508 25.746 52.776 1.00 0.00 H new ATOM 0 HG1 THR A 13 41.370 27.705 53.173 1.00 0.00 H new ATOM 0 HG21 THR A 13 41.849 25.626 50.632 1.00 0.00 H new ATOM 0 HG22 THR A 13 40.242 24.868 50.533 1.00 0.00 H new ATOM 0 HG23 THR A 13 40.513 26.474 49.818 1.00 0.00 H new ATOM 213 N THR A 14 38.797 26.193 54.545 1.00 0.00 N ATOM 214 CA THR A 14 38.672 26.393 55.987 1.00 0.00 C ATOM 215 C THR A 14 39.815 25.611 56.711 1.00 0.00 C ATOM 216 O THR A 14 40.315 24.580 56.261 1.00 0.00 O ATOM 217 CB THR A 14 37.267 26.032 56.472 1.00 0.00 C ATOM 218 OG1 THR A 14 37.042 24.623 56.378 1.00 0.00 O ATOM 219 CG2 THR A 14 36.233 26.868 55.674 1.00 0.00 C ATOM 0 H THR A 14 38.940 25.219 54.279 1.00 0.00 H new ATOM 0 HA THR A 14 38.795 27.447 56.236 1.00 0.00 H new ATOM 0 HB THR A 14 37.156 26.279 57.528 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.138 24.414 56.695 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.227 26.620 56.011 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.419 27.929 55.838 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.326 26.643 54.611 1.00 0.00 H new ATOM 227 N GLU A 15 40.240 26.185 57.890 1.00 0.00 N ATOM 228 CA GLU A 15 41.466 25.791 58.603 1.00 0.00 C ATOM 229 C GLU A 15 40.986 25.112 59.925 1.00 0.00 C ATOM 230 O GLU A 15 40.831 25.740 60.971 1.00 0.00 O ATOM 231 CB GLU A 15 42.346 27.046 58.758 1.00 0.00 C ATOM 232 CG GLU A 15 43.734 26.890 59.406 1.00 0.00 C ATOM 233 CD GLU A 15 44.574 28.158 59.277 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.179 29.257 58.919 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.839 27.944 59.623 1.00 0.00 O ATOM 0 H GLU A 15 39.726 26.933 58.355 1.00 0.00 H new ATOM 0 HA GLU A 15 42.100 25.070 58.088 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.489 27.476 57.767 1.00 0.00 H new ATOM 0 HB3 GLU A 15 41.786 27.774 59.344 1.00 0.00 H new ATOM 0 HG2 GLU A 15 43.615 26.640 60.460 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.260 26.058 58.938 1.00 0.00 H new ATOM 243 N THR A 16 40.725 23.749 59.813 1.00 0.00 N ATOM 244 CA THR A 16 40.295 22.893 60.941 1.00 0.00 C ATOM 245 C THR A 16 41.626 22.594 61.703 1.00 0.00 C ATOM 246 O THR A 16 42.438 21.760 61.309 1.00 0.00 O ATOM 247 CB THR A 16 39.527 21.617 60.483 1.00 0.00 C ATOM 248 OG1 THR A 16 38.264 21.945 59.891 1.00 0.00 O ATOM 249 CG2 THR A 16 39.198 20.575 61.566 1.00 0.00 C ATOM 0 H THR A 16 40.814 23.241 58.933 1.00 0.00 H new ATOM 0 HA THR A 16 39.562 23.381 61.583 1.00 0.00 H new ATOM 0 HB THR A 16 40.243 21.177 59.788 1.00 0.00 H new ATOM 0 HG1 THR A 16 37.809 21.122 59.613 1.00 0.00 H new ATOM 0 HG21 THR A 16 38.664 19.738 61.116 1.00 0.00 H new ATOM 0 HG22 THR A 16 40.123 20.215 62.017 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.574 21.033 62.334 1.00 0.00 H new ATOM 257 N CYS A 17 41.835 23.338 62.858 1.00 0.00 N ATOM 258 CA CYS A 17 43.154 23.422 63.511 1.00 0.00 C ATOM 259 C CYS A 17 43.160 23.035 65.021 1.00 0.00 C ATOM 260 O CYS A 17 42.141 23.005 65.711 1.00 0.00 O ATOM 261 CB CYS A 17 43.611 24.867 63.338 1.00 0.00 C ATOM 262 SG CYS A 17 45.289 25.347 63.827 1.00 0.00 S ATOM 0 H CYS A 17 41.102 23.870 63.328 1.00 0.00 H new ATOM 0 HA CYS A 17 43.822 22.697 63.045 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.495 25.121 62.284 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.917 25.496 63.896 1.00 0.00 H new ATOM 267 N GLN A 18 44.423 22.795 65.524 1.00 0.00 N ATOM 268 CA GLN A 18 44.658 22.352 66.898 1.00 0.00 C ATOM 269 C GLN A 18 44.738 23.522 67.916 1.00 0.00 C ATOM 270 O GLN A 18 44.514 23.284 69.103 1.00 0.00 O ATOM 271 CB GLN A 18 45.935 21.493 67.020 1.00 0.00 C ATOM 272 CG GLN A 18 47.267 22.225 66.742 1.00 0.00 C ATOM 273 CD GLN A 18 48.464 21.366 67.143 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.138 21.583 68.132 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.732 20.336 66.308 1.00 0.00 N ATOM 0 H GLN A 18 45.276 22.909 64.976 1.00 0.00 H new ATOM 0 HA GLN A 18 43.787 21.746 67.146 1.00 0.00 H new ATOM 0 HB2 GLN A 18 45.975 21.076 68.026 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.853 20.653 66.330 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.334 22.474 65.683 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.290 23.165 67.293 1.00 0.00 H new ATOM 0 HE21 GLN A 18 48.148 20.180 65.486 1.00 0.00 H new ATOM 0 HE22 GLN A 18 49.518 19.715 66.500 1.00 0.00 H new ATOM 284 N GLU A 19 45.072 24.799 67.487 1.00 0.00 N ATOM 285 CA GLU A 19 45.233 25.879 68.465 1.00 0.00 C ATOM 286 C GLU A 19 43.823 26.281 69.027 1.00 0.00 C ATOM 287 O GLU A 19 42.834 26.448 68.313 1.00 0.00 O ATOM 288 CB GLU A 19 45.942 27.119 67.880 1.00 0.00 C ATOM 289 CG GLU A 19 47.441 26.921 67.529 1.00 0.00 C ATOM 290 CD GLU A 19 48.284 26.852 68.800 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.381 25.890 69.539 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.935 27.993 69.019 1.00 0.00 O ATOM 0 H GLU A 19 45.222 25.067 66.514 1.00 0.00 H new ATOM 0 HA GLU A 19 45.871 25.504 69.265 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.413 27.429 66.979 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.858 27.937 68.596 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.567 26.005 66.952 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.785 27.743 66.902 1.00 0.00 H new ATOM 300 N ASP A 20 43.829 26.492 70.395 1.00 0.00 N ATOM 301 CA ASP A 20 42.705 26.784 71.287 1.00 0.00 C ATOM 302 C ASP A 20 41.788 27.892 70.688 1.00 0.00 C ATOM 303 O ASP A 20 40.560 27.791 70.697 1.00 0.00 O ATOM 304 CB ASP A 20 41.973 25.605 71.947 1.00 0.00 C ATOM 305 CG ASP A 20 41.166 24.554 71.148 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.180 24.570 69.917 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.530 23.800 71.897 1.00 0.00 O ATOM 0 H ASP A 20 44.705 26.453 70.915 1.00 0.00 H new ATOM 0 HA ASP A 20 43.177 27.189 72.182 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.724 25.053 72.512 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.283 26.037 72.672 1.00 0.00 H new ATOM 312 N SER A 21 42.440 29.034 70.267 1.00 0.00 N ATOM 313 CA SER A 21 41.740 30.240 69.833 1.00 0.00 C ATOM 314 C SER A 21 42.053 30.527 68.336 1.00 0.00 C ATOM 315 O SER A 21 43.165 30.374 67.825 1.00 0.00 O ATOM 316 CB SER A 21 42.122 31.457 70.703 1.00 0.00 C ATOM 317 OG SER A 21 41.570 32.705 70.304 1.00 0.00 O ATOM 0 H SER A 21 43.456 29.115 70.230 1.00 0.00 H new ATOM 0 HA SER A 21 40.670 30.071 69.950 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.813 31.257 71.729 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.208 31.548 70.709 1.00 0.00 H new ATOM 0 HG SER A 21 40.649 32.572 69.998 1.00 0.00 H new ATOM 323 N CYS A 22 40.959 30.970 67.616 1.00 0.00 N ATOM 324 CA CYS A 22 41.068 31.334 66.218 1.00 0.00 C ATOM 325 C CYS A 22 40.329 32.681 65.963 1.00 0.00 C ATOM 326 O CYS A 22 39.346 33.049 66.606 1.00 0.00 O ATOM 327 CB CYS A 22 40.674 30.173 65.272 1.00 0.00 C ATOM 328 SG CYS A 22 38.950 29.606 65.101 1.00 0.00 S ATOM 0 H CYS A 22 40.022 31.070 68.006 1.00 0.00 H new ATOM 0 HA CYS A 22 42.115 31.511 65.970 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.013 30.452 64.274 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.261 29.307 65.577 1.00 0.00 H new ATOM 333 N TYR A 23 40.903 33.452 64.972 1.00 0.00 N ATOM 334 CA TYR A 23 40.626 34.888 64.870 1.00 0.00 C ATOM 335 C TYR A 23 40.027 35.386 63.534 1.00 0.00 C ATOM 336 O TYR A 23 40.048 34.697 62.518 1.00 0.00 O ATOM 337 CB TYR A 23 41.979 35.631 65.138 1.00 0.00 C ATOM 338 CG TYR A 23 43.088 35.242 64.180 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.139 35.719 62.872 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.123 34.409 64.596 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.200 35.421 62.031 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.193 34.092 63.772 1.00 0.00 C ATOM 343 CZ TYR A 23 45.252 34.598 62.473 1.00 0.00 C ATOM 344 OH TYR A 23 46.273 34.321 61.615 1.00 0.00 O ATOM 0 H TYR A 23 41.540 33.091 64.262 1.00 0.00 H new ATOM 0 HA TYR A 23 39.846 35.103 65.601 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.813 36.706 65.070 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.302 35.422 66.158 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.332 36.336 62.504 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.092 33.996 65.593 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.219 35.824 61.029 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.983 33.452 64.137 1.00 0.00 H new ATOM 0 HH TYR A 23 46.926 33.742 62.060 1.00 0.00 H new ATOM 354 N LYS A 24 39.512 36.669 63.621 1.00 0.00 N ATOM 355 CA LYS A 24 38.853 37.416 62.540 1.00 0.00 C ATOM 356 C LYS A 24 39.782 38.645 62.208 1.00 0.00 C ATOM 357 O LYS A 24 40.003 39.561 62.998 1.00 0.00 O ATOM 358 CB LYS A 24 37.432 37.907 62.892 1.00 0.00 C ATOM 359 CG LYS A 24 36.293 36.864 63.031 1.00 0.00 C ATOM 360 CD LYS A 24 36.555 35.712 64.022 1.00 0.00 C ATOM 361 CE LYS A 24 35.288 35.160 64.672 1.00 0.00 C ATOM 362 NZ LYS A 24 34.249 34.745 63.633 1.00 0.00 N ATOM 0 H LYS A 24 39.560 37.206 64.487 1.00 0.00 H new ATOM 0 HA LYS A 24 38.720 36.749 61.688 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.496 38.453 63.833 1.00 0.00 H new ATOM 0 HB3 LYS A 24 37.132 38.623 62.127 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.386 37.384 63.339 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.097 36.435 62.048 1.00 0.00 H new ATOM 0 HD2 LYS A 24 37.066 34.904 63.499 1.00 0.00 H new ATOM 0 HD3 LYS A 24 37.230 36.063 64.803 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.543 34.301 65.293 1.00 0.00 H new ATOM 0 HE3 LYS A 24 34.860 35.915 65.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.757 33.888 63.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.559 35.513 63.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.722 34.551 62.727 1.00 0.00 H new ATOM 376 N ASN A 25 40.317 38.640 60.934 1.00 0.00 N ATOM 377 CA ASN A 25 41.227 39.650 60.360 1.00 0.00 C ATOM 378 C ASN A 25 40.419 40.240 59.142 1.00 0.00 C ATOM 379 O ASN A 25 40.064 39.498 58.228 1.00 0.00 O ATOM 380 CB ASN A 25 42.540 39.010 59.946 1.00 0.00 C ATOM 381 CG ASN A 25 43.620 40.053 59.778 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.376 40.385 60.671 1.00 0.00 O ATOM 383 ND2 ASN A 25 43.643 40.635 58.564 1.00 0.00 N ATOM 0 H ASN A 25 40.105 37.895 60.271 1.00 0.00 H new ATOM 0 HA ASN A 25 41.510 40.433 61.063 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.846 38.281 60.697 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.405 38.467 59.011 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.310 41.381 58.369 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.993 40.330 57.840 1.00 0.00 H new ATOM 390 N ILE A 26 40.161 41.619 59.118 1.00 0.00 N ATOM 391 CA ILE A 26 38.971 42.115 58.358 1.00 0.00 C ATOM 392 C ILE A 26 39.181 43.332 57.389 1.00 0.00 C ATOM 393 O ILE A 26 38.426 43.509 56.435 1.00 0.00 O ATOM 394 CB ILE A 26 37.851 42.446 59.379 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.916 43.804 60.138 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.665 41.290 60.392 1.00 0.00 C ATOM 397 CD1 ILE A 26 39.042 44.032 61.162 1.00 0.00 C ATOM 0 H ILE A 26 40.722 42.334 59.581 1.00 0.00 H new ATOM 0 HA ILE A 26 38.715 41.302 57.679 1.00 0.00 H new ATOM 0 HB ILE A 26 36.985 42.564 58.728 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.984 44.595 59.392 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.967 43.937 60.657 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.874 41.547 61.097 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.394 40.379 59.859 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.596 41.129 60.935 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.941 45.026 61.598 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.975 43.281 61.950 1.00 0.00 H new ATOM 0 HD13 ILE A 26 40.008 43.950 60.664 1.00 0.00 H new ATOM 409 N TRP A 27 40.204 44.189 57.710 1.00 0.00 N ATOM 410 CA TRP A 27 40.801 45.341 57.026 1.00 0.00 C ATOM 411 C TRP A 27 41.586 44.814 55.732 1.00 0.00 C ATOM 412 O TRP A 27 40.988 44.309 54.788 1.00 0.00 O ATOM 413 CB TRP A 27 41.754 46.050 58.071 1.00 0.00 C ATOM 414 CG TRP A 27 42.412 45.074 59.020 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.680 43.712 58.721 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.648 45.160 60.389 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.922 42.962 59.827 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.959 43.880 60.857 1.00 0.00 C ATOM 419 CE3 TRP A 27 42.498 46.188 61.351 1.00 0.00 C ATOM 420 CZ2 TRP A 27 43.173 43.545 62.151 1.00 0.00 C ATOM 421 CZ3 TRP A 27 42.707 45.887 62.689 1.00 0.00 C ATOM 422 CH2 TRP A 27 43.057 44.579 63.086 1.00 0.00 C ATOM 0 H TRP A 27 40.688 44.045 58.596 1.00 0.00 H new ATOM 0 HA TRP A 27 40.060 46.062 56.680 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.525 46.604 57.535 1.00 0.00 H new ATOM 0 HB3 TRP A 27 41.179 46.777 58.645 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.690 43.314 57.717 1.00 0.00 H new ATOM 0 HE1 TRP A 27 43.048 41.951 59.884 1.00 0.00 H new ATOM 0 HE3 TRP A 27 42.226 47.188 61.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 43.420 42.536 62.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 42.601 46.661 63.434 1.00 0.00 H new ATOM 0 HH2 TRP A 27 43.239 44.372 64.130 1.00 0.00 H new ATOM 433 N THR A 28 42.975 44.952 55.698 1.00 0.00 N ATOM 434 CA THR A 28 43.872 44.503 54.615 1.00 0.00 C ATOM 435 C THR A 28 43.934 45.527 53.414 1.00 0.00 C ATOM 436 O THR A 28 42.996 46.281 53.172 1.00 0.00 O ATOM 437 CB THR A 28 43.670 43.071 54.042 1.00 0.00 C ATOM 438 OG1 THR A 28 44.821 42.691 53.291 1.00 0.00 O ATOM 439 CG2 THR A 28 43.287 41.953 55.025 1.00 0.00 C ATOM 0 H THR A 28 43.486 45.396 56.461 1.00 0.00 H new ATOM 0 HA THR A 28 44.820 44.460 55.151 1.00 0.00 H new ATOM 0 HB THR A 28 42.780 43.166 53.420 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.597 42.670 52.337 1.00 0.00 H new ATOM 0 HG21 THR A 28 43.180 41.013 54.483 1.00 0.00 H new ATOM 0 HG22 THR A 28 44.066 41.850 55.781 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.343 42.202 55.509 1.00 0.00 H new ATOM 447 N PHE A 29 45.092 45.525 52.633 1.00 0.00 N ATOM 448 CA PHE A 29 45.198 46.395 51.456 1.00 0.00 C ATOM 449 C PHE A 29 44.236 45.920 50.329 1.00 0.00 C ATOM 450 O PHE A 29 43.734 46.763 49.585 1.00 0.00 O ATOM 451 CB PHE A 29 46.643 46.637 50.884 1.00 0.00 C ATOM 452 CG PHE A 29 47.275 45.446 50.184 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.750 44.339 50.894 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.456 45.457 48.796 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.368 43.269 50.245 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.083 44.402 48.133 1.00 0.00 C ATOM 457 CZ PHE A 29 48.542 43.297 48.857 1.00 0.00 C ATOM 0 H PHE A 29 45.911 44.945 52.815 1.00 0.00 H new ATOM 0 HA PHE A 29 44.898 47.373 51.832 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.603 47.470 50.182 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.293 46.942 51.704 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.636 44.311 51.968 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.102 46.302 48.225 1.00 0.00 H new ATOM 0 HE1 PHE A 29 48.712 42.419 50.815 1.00 0.00 H new ATOM 0 HE2 PHE A 29 48.214 44.438 47.062 1.00 0.00 H new ATOM 0 HZ PHE A 29 49.025 42.475 48.350 1.00 0.00 H new ATOM 467 N ASP A 30 43.961 44.570 50.202 1.00 0.00 N ATOM 468 CA ASP A 30 42.978 44.024 49.277 1.00 0.00 C ATOM 469 C ASP A 30 41.508 44.227 49.816 1.00 0.00 C ATOM 470 O ASP A 30 40.580 43.927 49.064 1.00 0.00 O ATOM 471 CB ASP A 30 43.285 42.575 48.837 1.00 0.00 C ATOM 472 CG ASP A 30 43.619 41.466 49.873 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.085 41.822 50.956 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.439 40.312 49.471 1.00 0.00 O ATOM 0 H ASP A 30 44.435 43.856 50.755 1.00 0.00 H new ATOM 0 HA ASP A 30 43.054 44.602 48.356 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.423 42.227 48.267 1.00 0.00 H new ATOM 0 HB3 ASP A 30 44.125 42.625 48.145 1.00 0.00 H new ATOM 479 N ASN A 31 41.251 44.774 51.075 1.00 0.00 N ATOM 480 CA ASN A 31 39.925 45.066 51.632 1.00 0.00 C ATOM 481 C ASN A 31 39.166 43.706 51.624 1.00 0.00 C ATOM 482 O ASN A 31 38.245 43.487 50.837 1.00 0.00 O ATOM 483 CB ASN A 31 39.183 46.226 50.962 1.00 0.00 C ATOM 484 CG ASN A 31 38.003 46.642 51.829 1.00 0.00 C ATOM 485 OD1 ASN A 31 38.109 47.395 52.779 1.00 0.00 O ATOM 486 ND2 ASN A 31 36.819 46.105 51.465 1.00 0.00 N ATOM 0 H ASN A 31 42.004 45.017 51.718 1.00 0.00 H new ATOM 0 HA ASN A 31 40.009 45.454 52.647 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.858 47.070 50.819 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.834 45.926 49.974 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.975 46.327 51.993 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.769 45.477 50.662 1.00 0.00 H new ATOM 493 N ILE A 32 39.562 42.783 52.583 1.00 0.00 N ATOM 494 CA ILE A 32 39.040 41.426 52.507 1.00 0.00 C ATOM 495 C ILE A 32 39.129 40.697 53.887 1.00 0.00 C ATOM 496 O ILE A 32 39.987 40.987 54.721 1.00 0.00 O ATOM 497 CB ILE A 32 39.818 40.590 51.446 1.00 0.00 C ATOM 498 CG1 ILE A 32 39.086 39.393 50.820 1.00 0.00 C ATOM 499 CG2 ILE A 32 41.165 40.075 51.994 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.860 39.724 49.959 1.00 0.00 C ATOM 0 H ILE A 32 40.201 42.970 53.356 1.00 0.00 H new ATOM 0 HA ILE A 32 37.993 41.507 52.216 1.00 0.00 H new ATOM 0 HB ILE A 32 39.948 41.322 50.649 1.00 0.00 H new ATOM 0 HG12 ILE A 32 39.797 38.840 50.206 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.771 38.726 51.623 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.675 39.498 51.223 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.787 40.922 52.284 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.986 39.442 52.863 1.00 0.00 H new ATOM 0 HD11 ILE A 32 37.428 38.801 49.572 1.00 0.00 H new ATOM 0 HD12 ILE A 32 37.119 40.245 50.566 1.00 0.00 H new ATOM 0 HD13 ILE A 32 38.161 40.361 49.127 1.00 0.00 H new ATOM 512 N ILE A 33 38.204 39.683 54.107 1.00 0.00 N ATOM 513 CA ILE A 33 38.276 38.875 55.341 1.00 0.00 C ATOM 514 C ILE A 33 39.227 37.671 54.999 1.00 0.00 C ATOM 515 O ILE A 33 38.965 36.901 54.077 1.00 0.00 O ATOM 516 CB ILE A 33 36.969 38.308 55.949 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.669 39.121 55.741 1.00 0.00 C ATOM 518 CG2 ILE A 33 37.190 38.021 57.448 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.426 38.211 55.685 1.00 0.00 C ATOM 0 H ILE A 33 37.448 39.435 53.468 1.00 0.00 H new ATOM 0 HA ILE A 33 38.614 39.562 56.117 1.00 0.00 H new ATOM 0 HB ILE A 33 36.780 37.400 55.376 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.557 39.840 56.552 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.742 39.693 54.816 1.00 0.00 H new ATOM 0 HG21 ILE A 33 36.273 37.622 57.881 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.993 37.293 57.565 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.460 38.945 57.959 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.535 38.821 55.538 1.00 0.00 H new ATOM 0 HD12 ILE A 33 34.526 37.509 54.857 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.337 37.658 56.620 1.00 0.00 H new ATOM 531 N ARG A 34 40.372 37.481 55.758 1.00 0.00 N ATOM 532 CA ARG A 34 41.340 36.452 55.364 1.00 0.00 C ATOM 533 C ARG A 34 42.170 36.295 56.666 1.00 0.00 C ATOM 534 O ARG A 34 43.075 37.048 57.016 1.00 0.00 O ATOM 535 CB ARG A 34 42.131 36.872 54.121 1.00 0.00 C ATOM 536 CG ARG A 34 43.234 35.955 53.559 1.00 0.00 C ATOM 537 CD ARG A 34 43.714 36.497 52.194 1.00 0.00 C ATOM 538 NE ARG A 34 44.153 37.911 52.048 1.00 0.00 N ATOM 539 CZ ARG A 34 44.861 38.660 52.879 1.00 0.00 C ATOM 540 NH1 ARG A 34 45.170 38.263 54.084 1.00 0.00 N ATOM 541 NH2 ARG A 34 45.280 39.823 52.462 1.00 0.00 N ATOM 0 H ARG A 34 40.613 38.010 56.596 1.00 0.00 H new ATOM 0 HA ARG A 34 40.915 35.501 55.042 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.410 37.039 53.320 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.592 37.835 54.341 1.00 0.00 H new ATOM 0 HG2 ARG A 34 44.070 35.906 54.256 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.854 34.940 53.445 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.545 35.869 51.874 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.903 36.338 51.483 1.00 0.00 H new ATOM 0 HE ARG A 34 43.867 38.370 51.183 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.864 37.347 54.413 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.717 38.868 54.696 1.00 0.00 H new ATOM 0 HH21 ARG A 34 45.060 40.135 51.516 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.827 40.420 53.082 1.00 0.00 H new ATOM 555 N ARG A 35 41.709 35.249 57.436 1.00 0.00 N ATOM 556 CA ARG A 35 41.943 35.066 58.862 1.00 0.00 C ATOM 557 C ARG A 35 42.249 33.578 59.218 1.00 0.00 C ATOM 558 O ARG A 35 42.503 32.781 58.316 1.00 0.00 O ATOM 559 CB ARG A 35 40.651 35.601 59.521 1.00 0.00 C ATOM 560 CG ARG A 35 39.414 34.696 59.256 1.00 0.00 C ATOM 561 CD ARG A 35 38.051 35.197 59.772 1.00 0.00 C ATOM 562 NE ARG A 35 36.784 34.688 59.183 1.00 0.00 N ATOM 563 CZ ARG A 35 36.365 34.796 57.928 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.177 34.738 56.909 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.083 34.945 57.721 1.00 0.00 N ATOM 0 H ARG A 35 41.146 34.498 57.037 1.00 0.00 H new ATOM 0 HA ARG A 35 42.825 35.597 59.220 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.807 35.688 60.596 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.447 36.604 59.147 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.332 34.543 58.180 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.607 33.721 59.703 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.015 34.987 60.841 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.044 36.281 59.660 1.00 0.00 H new ATOM 0 HE ARG A 35 36.160 34.195 59.822 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.177 34.605 57.061 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.812 34.826 55.961 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.439 34.975 58.511 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.727 35.031 56.769 1.00 0.00 H new ATOM 579 N GLY A 36 42.276 33.222 60.565 1.00 0.00 N ATOM 580 CA GLY A 36 42.567 31.799 60.809 1.00 0.00 C ATOM 581 C GLY A 36 42.963 31.347 62.228 1.00 0.00 C ATOM 582 O GLY A 36 42.743 32.050 63.206 1.00 0.00 O ATOM 0 H GLY A 36 42.120 33.824 61.374 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.685 31.229 60.517 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.373 31.508 60.135 1.00 0.00 H new ATOM 586 N CYS A 37 43.525 30.075 62.313 1.00 0.00 N ATOM 587 CA CYS A 37 43.914 29.533 63.624 1.00 0.00 C ATOM 588 C CYS A 37 45.309 30.071 64.058 1.00 0.00 C ATOM 589 O CYS A 37 46.309 30.016 63.343 1.00 0.00 O ATOM 590 CB CYS A 37 43.942 27.981 63.772 1.00 0.00 C ATOM 591 SG CYS A 37 45.220 27.137 62.786 1.00 0.00 S ATOM 0 H CYS A 37 43.699 29.460 61.518 1.00 0.00 H new ATOM 0 HA CYS A 37 43.107 29.883 64.267 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.093 27.734 64.823 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.966 27.586 63.489 1.00 0.00 H new ATOM 596 N GLY A 38 45.345 30.653 65.317 1.00 0.00 N ATOM 597 CA GLY A 38 46.642 31.002 65.878 1.00 0.00 C ATOM 598 C GLY A 38 46.328 31.382 67.324 1.00 0.00 C ATOM 599 O GLY A 38 46.541 30.642 68.277 1.00 0.00 O ATOM 0 H GLY A 38 44.534 30.864 65.899 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.337 30.164 65.827 1.00 0.00 H new ATOM 0 HA3 GLY A 38 47.101 31.830 65.338 1.00 0.00 H new ATOM 603 N CYS A 39 45.745 32.632 67.420 1.00 0.00 N ATOM 604 CA CYS A 39 45.342 33.245 68.669 1.00 0.00 C ATOM 605 C CYS A 39 46.542 33.712 69.535 1.00 0.00 C ATOM 606 O CYS A 39 47.704 33.681 69.135 1.00 0.00 O ATOM 607 CB CYS A 39 44.394 34.415 68.340 1.00 0.00 C ATOM 608 SG CYS A 39 43.783 35.366 69.761 1.00 0.00 S ATOM 0 H CYS A 39 45.556 33.216 66.605 1.00 0.00 H new ATOM 0 HA CYS A 39 44.830 32.498 69.276 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.912 35.098 67.666 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.536 34.020 67.796 1.00 0.00 H new ATOM 613 N PHE A 40 46.175 34.162 70.784 1.00 0.00 N ATOM 614 CA PHE A 40 47.139 34.463 71.827 1.00 0.00 C ATOM 615 C PHE A 40 48.014 35.704 71.421 1.00 0.00 C ATOM 616 O PHE A 40 49.191 35.784 71.766 1.00 0.00 O ATOM 617 CB PHE A 40 47.898 33.198 72.309 1.00 0.00 C ATOM 618 CG PHE A 40 46.983 31.969 72.312 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.793 31.927 73.056 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.240 30.887 71.458 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.903 30.860 72.950 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.366 29.807 71.351 1.00 0.00 C ATOM 623 CZ PHE A 40 45.202 29.783 72.116 1.00 0.00 C ATOM 0 H PHE A 40 45.206 34.314 71.062 1.00 0.00 H new ATOM 0 HA PHE A 40 46.620 34.779 72.732 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.754 33.015 71.660 1.00 0.00 H new ATOM 0 HB3 PHE A 40 48.289 33.366 73.313 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.562 32.741 73.727 1.00 0.00 H new ATOM 0 HD2 PHE A 40 48.143 30.891 70.865 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.982 30.867 73.514 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.590 28.992 70.678 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.535 28.935 72.064 1.00 0.00 H new ATOM 633 N THR A 41 47.359 36.735 70.759 1.00 0.00 N ATOM 634 CA THR A 41 47.956 38.057 70.460 1.00 0.00 C ATOM 635 C THR A 41 47.221 39.008 71.483 1.00 0.00 C ATOM 636 O THR A 41 46.016 39.241 71.375 1.00 0.00 O ATOM 637 CB THR A 41 47.863 38.609 69.018 1.00 0.00 C ATOM 638 OG1 THR A 41 48.402 39.934 69.025 1.00 0.00 O ATOM 639 CG2 THR A 41 48.554 37.721 67.971 1.00 0.00 C ATOM 0 H THR A 41 46.399 36.648 70.426 1.00 0.00 H new ATOM 0 HA THR A 41 49.039 37.979 70.556 1.00 0.00 H new ATOM 0 HB THR A 41 46.816 38.619 68.716 1.00 0.00 H new ATOM 0 HG1 THR A 41 48.358 40.310 68.121 1.00 0.00 H new ATOM 0 HG21 THR A 41 48.447 38.172 66.984 1.00 0.00 H new ATOM 0 HG22 THR A 41 49.612 37.627 68.215 1.00 0.00 H new ATOM 0 HG23 THR A 41 48.093 36.733 67.970 1.00 0.00 H new ATOM 647 N PRO A 42 47.965 39.567 72.523 1.00 0.00 N ATOM 648 CA PRO A 42 47.337 40.378 73.582 1.00 0.00 C ATOM 649 C PRO A 42 47.019 41.794 72.999 1.00 0.00 C ATOM 650 O PRO A 42 47.872 42.484 72.440 1.00 0.00 O ATOM 651 CB PRO A 42 48.383 40.432 74.714 1.00 0.00 C ATOM 652 CG PRO A 42 49.713 40.308 73.954 1.00 0.00 C ATOM 653 CD PRO A 42 49.369 39.309 72.843 1.00 0.00 C ATOM 0 HA PRO A 42 46.397 39.971 73.955 1.00 0.00 H new ATOM 0 HB2 PRO A 42 48.323 41.364 75.276 1.00 0.00 H new ATOM 0 HB3 PRO A 42 48.248 39.620 75.429 1.00 0.00 H new ATOM 0 HG2 PRO A 42 50.041 41.266 73.551 1.00 0.00 H new ATOM 0 HG3 PRO A 42 50.514 39.941 74.596 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.006 39.454 71.970 1.00 0.00 H new ATOM 0 HD3 PRO A 42 49.515 38.282 73.177 1.00 0.00 H new ATOM 661 N ARG A 43 45.727 42.277 73.200 1.00 0.00 N ATOM 662 CA ARG A 43 45.386 43.568 72.620 1.00 0.00 C ATOM 663 C ARG A 43 44.064 44.154 73.209 1.00 0.00 C ATOM 664 O ARG A 43 43.054 43.478 73.387 1.00 0.00 O ATOM 665 CB ARG A 43 45.194 43.480 71.078 1.00 0.00 C ATOM 666 CG ARG A 43 44.309 42.317 70.578 1.00 0.00 C ATOM 667 CD ARG A 43 44.260 42.159 69.043 1.00 0.00 C ATOM 668 NE ARG A 43 43.412 42.981 68.160 1.00 0.00 N ATOM 669 CZ ARG A 43 42.582 43.976 68.405 1.00 0.00 C ATOM 670 NH1 ARG A 43 41.965 44.115 69.543 1.00 0.00 N ATOM 671 NH2 ARG A 43 42.342 44.836 67.452 1.00 0.00 N ATOM 0 H ARG A 43 44.987 41.807 73.721 1.00 0.00 H new ATOM 0 HA ARG A 43 46.227 44.217 72.866 1.00 0.00 H new ATOM 0 HB2 ARG A 43 44.760 44.418 70.730 1.00 0.00 H new ATOM 0 HB3 ARG A 43 46.176 43.391 70.613 1.00 0.00 H new ATOM 0 HG2 ARG A 43 44.674 41.387 71.014 1.00 0.00 H new ATOM 0 HG3 ARG A 43 43.294 42.466 70.947 1.00 0.00 H new ATOM 0 HD2 ARG A 43 45.283 42.288 68.690 1.00 0.00 H new ATOM 0 HD3 ARG A 43 43.985 41.122 68.851 1.00 0.00 H new ATOM 0 HE ARG A 43 43.480 42.733 67.173 1.00 0.00 H new ATOM 0 HH11 ARG A 43 42.115 43.438 70.291 1.00 0.00 H new ATOM 0 HH12 ARG A 43 41.332 44.901 69.687 1.00 0.00 H new ATOM 0 HH21 ARG A 43 42.793 44.729 66.543 1.00 0.00 H new ATOM 0 HH22 ARG A 43 41.704 45.614 67.616 1.00 0.00 H new ATOM 685 N GLY A 44 44.095 45.522 73.458 1.00 0.00 N ATOM 686 CA GLY A 44 42.875 46.288 73.751 1.00 0.00 C ATOM 687 C GLY A 44 42.330 46.603 72.348 1.00 0.00 C ATOM 688 O GLY A 44 41.387 45.978 71.869 1.00 0.00 O ATOM 0 H GLY A 44 44.949 46.080 73.455 1.00 0.00 H new ATOM 0 HA2 GLY A 44 42.165 45.709 74.341 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.092 47.195 74.315 1.00 0.00 H new ATOM 692 N ASP A 45 43.019 47.598 71.667 1.00 0.00 N ATOM 693 CA ASP A 45 42.823 47.763 70.229 1.00 0.00 C ATOM 694 C ASP A 45 44.247 48.144 69.693 1.00 0.00 C ATOM 695 O ASP A 45 44.509 49.219 69.166 1.00 0.00 O ATOM 696 CB ASP A 45 41.642 48.661 69.786 1.00 0.00 C ATOM 697 CG ASP A 45 40.834 48.110 68.568 1.00 0.00 C ATOM 698 OD1 ASP A 45 40.920 46.898 68.346 1.00 0.00 O ATOM 699 OD2 ASP A 45 40.160 48.957 67.978 1.00 0.00 O ATOM 0 H ASP A 45 43.676 48.251 72.095 1.00 0.00 H new ATOM 0 HA ASP A 45 42.461 46.844 69.767 1.00 0.00 H new ATOM 0 HB2 ASP A 45 40.963 48.789 70.629 1.00 0.00 H new ATOM 0 HB3 ASP A 45 42.027 49.649 69.534 1.00 0.00 H new ATOM 704 N MET A 46 45.183 47.139 69.875 1.00 0.00 N ATOM 705 CA MET A 46 46.588 47.147 69.421 1.00 0.00 C ATOM 706 C MET A 46 46.722 46.258 68.126 1.00 0.00 C ATOM 707 O MET A 46 45.819 45.467 67.843 1.00 0.00 O ATOM 708 CB MET A 46 47.469 46.618 70.585 1.00 0.00 C ATOM 709 CG MET A 46 48.994 46.813 70.493 1.00 0.00 C ATOM 710 SD MET A 46 49.875 46.520 72.092 1.00 0.00 S ATOM 711 CE MET A 46 50.569 48.172 72.346 1.00 0.00 C ATOM 0 H MET A 46 44.945 46.276 70.365 1.00 0.00 H new ATOM 0 HA MET A 46 46.919 48.153 69.161 1.00 0.00 H new ATOM 0 HB2 MET A 46 47.128 47.095 71.504 1.00 0.00 H new ATOM 0 HB3 MET A 46 47.276 45.550 70.689 1.00 0.00 H new ATOM 0 HG2 MET A 46 49.394 46.136 69.738 1.00 0.00 H new ATOM 0 HG3 MET A 46 49.202 47.828 70.153 1.00 0.00 H new ATOM 0 HE1 MET A 46 51.141 48.188 73.274 1.00 0.00 H new ATOM 0 HE2 MET A 46 51.224 48.424 71.512 1.00 0.00 H new ATOM 0 HE3 MET A 46 49.761 48.901 72.406 1.00 0.00 H new ATOM 721 N PRO A 47 47.870 46.356 67.335 1.00 0.00 N ATOM 722 CA PRO A 47 47.903 45.579 66.082 1.00 0.00 C ATOM 723 C PRO A 47 47.732 44.047 66.295 1.00 0.00 C ATOM 724 O PRO A 47 48.115 43.455 67.303 1.00 0.00 O ATOM 725 CB PRO A 47 49.246 45.911 65.416 1.00 0.00 C ATOM 726 CG PRO A 47 49.410 47.383 65.826 1.00 0.00 C ATOM 727 CD PRO A 47 48.948 47.347 67.290 1.00 0.00 C ATOM 0 HA PRO A 47 47.057 45.854 65.452 1.00 0.00 H new ATOM 0 HB2 PRO A 47 50.058 45.285 65.787 1.00 0.00 H new ATOM 0 HB3 PRO A 47 49.214 45.784 64.334 1.00 0.00 H new ATOM 0 HG2 PRO A 47 50.441 47.723 65.730 1.00 0.00 H new ATOM 0 HG3 PRO A 47 48.797 48.049 65.219 1.00 0.00 H new ATOM 0 HD2 PRO A 47 49.766 47.067 67.953 1.00 0.00 H new ATOM 0 HD3 PRO A 47 48.595 48.326 67.615 1.00 0.00 H new ATOM 735 N GLY A 48 47.173 43.397 65.210 1.00 0.00 N ATOM 736 CA GLY A 48 46.823 41.970 65.220 1.00 0.00 C ATOM 737 C GLY A 48 45.277 41.805 65.198 1.00 0.00 C ATOM 738 O GLY A 48 44.528 42.716 65.550 1.00 0.00 O ATOM 0 H GLY A 48 46.965 43.863 64.327 1.00 0.00 H new ATOM 0 HA2 GLY A 48 47.263 41.472 64.356 1.00 0.00 H new ATOM 0 HA3 GLY A 48 47.236 41.491 66.108 1.00 0.00 H new ATOM 742 N PRO A 49 44.800 40.562 64.834 1.00 0.00 N ATOM 743 CA PRO A 49 43.355 40.335 64.683 1.00 0.00 C ATOM 744 C PRO A 49 42.622 40.098 66.030 1.00 0.00 C ATOM 745 O PRO A 49 43.194 39.713 67.045 1.00 0.00 O ATOM 746 CB PRO A 49 43.268 39.062 63.830 1.00 0.00 C ATOM 747 CG PRO A 49 44.532 38.321 64.266 1.00 0.00 C ATOM 748 CD PRO A 49 45.557 39.449 64.278 1.00 0.00 C ATOM 0 HA PRO A 49 42.875 41.210 64.244 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.364 38.489 64.037 1.00 0.00 H new ATOM 0 HB3 PRO A 49 43.268 39.282 62.762 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.419 37.859 65.247 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.803 37.528 63.569 1.00 0.00 H new ATOM 0 HD2 PRO A 49 46.424 39.202 64.891 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.927 39.671 63.277 1.00 0.00 H new ATOM 756 N TYR A 50 41.255 40.334 65.972 1.00 0.00 N ATOM 757 CA TYR A 50 40.407 40.125 67.156 1.00 0.00 C ATOM 758 C TYR A 50 40.065 38.606 67.247 1.00 0.00 C ATOM 759 O TYR A 50 39.835 37.960 66.224 1.00 0.00 O ATOM 760 CB TYR A 50 39.076 40.974 67.246 1.00 0.00 C ATOM 761 CG TYR A 50 37.872 40.483 66.453 1.00 0.00 C ATOM 762 CD1 TYR A 50 37.114 39.387 66.877 1.00 0.00 C ATOM 763 CD2 TYR A 50 37.402 41.184 65.344 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.950 39.004 66.229 1.00 0.00 C ATOM 765 CE2 TYR A 50 36.224 40.835 64.692 1.00 0.00 C ATOM 766 CZ TYR A 50 35.467 39.746 65.134 1.00 0.00 C ATOM 767 OH TYR A 50 34.293 39.367 64.555 1.00 0.00 O ATOM 0 H TYR A 50 40.760 40.656 65.140 1.00 0.00 H new ATOM 0 HA TYR A 50 40.999 40.485 67.998 1.00 0.00 H new ATOM 0 HB2 TYR A 50 38.786 41.034 68.295 1.00 0.00 H new ATOM 0 HB3 TYR A 50 39.302 41.989 66.920 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.446 38.822 67.735 1.00 0.00 H new ATOM 0 HD2 TYR A 50 37.971 42.026 64.979 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.410 38.131 66.566 1.00 0.00 H new ATOM 0 HE2 TYR A 50 35.892 41.409 63.839 1.00 0.00 H new ATOM 0 HH TYR A 50 34.084 39.972 63.813 1.00 0.00 H new ATOM 777 N CYS A 51 40.004 38.024 68.507 1.00 0.00 N ATOM 778 CA CYS A 51 39.849 36.567 68.611 1.00 0.00 C ATOM 779 C CYS A 51 38.683 36.079 69.521 1.00 0.00 C ATOM 780 O CYS A 51 38.297 36.680 70.519 1.00 0.00 O ATOM 781 CB CYS A 51 41.123 35.919 69.179 1.00 0.00 C ATOM 782 SG CYS A 51 42.676 36.642 68.586 1.00 0.00 S ATOM 0 H CYS A 51 40.058 38.527 69.393 1.00 0.00 H new ATOM 0 HA CYS A 51 39.634 36.268 67.585 1.00 0.00 H new ATOM 0 HB2 CYS A 51 41.097 35.992 70.266 1.00 0.00 H new ATOM 0 HB3 CYS A 51 41.115 34.858 68.931 1.00 0.00 H new ATOM 787 N CYS A 52 38.205 34.847 69.135 1.00 0.00 N ATOM 788 CA CYS A 52 37.258 34.029 69.882 1.00 0.00 C ATOM 789 C CYS A 52 37.883 32.607 70.084 1.00 0.00 C ATOM 790 O CYS A 52 38.851 32.239 69.417 1.00 0.00 O ATOM 791 CB CYS A 52 35.942 33.975 69.123 1.00 0.00 C ATOM 792 SG CYS A 52 34.520 33.429 70.111 1.00 0.00 S ATOM 0 H CYS A 52 38.496 34.407 68.262 1.00 0.00 H new ATOM 0 HA CYS A 52 37.054 34.454 70.865 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.729 34.965 68.721 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.056 33.303 68.272 1.00 0.00 H new ATOM 797 N GLU A 53 37.312 31.788 71.032 1.00 0.00 N ATOM 798 CA GLU A 53 37.856 30.433 71.280 1.00 0.00 C ATOM 799 C GLU A 53 36.728 29.369 71.183 1.00 0.00 C ATOM 800 O GLU A 53 36.774 28.320 71.823 1.00 0.00 O ATOM 801 CB GLU A 53 38.695 30.350 72.569 1.00 0.00 C ATOM 802 CG GLU A 53 37.953 30.729 73.870 1.00 0.00 C ATOM 803 CD GLU A 53 37.671 32.231 73.921 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.497 33.114 73.779 1.00 0.00 O ATOM 805 OE2 GLU A 53 36.384 32.482 74.154 1.00 0.00 O ATOM 0 H GLU A 53 36.509 32.042 71.608 1.00 0.00 H new ATOM 0 HA GLU A 53 38.570 30.204 70.489 1.00 0.00 H new ATOM 0 HB2 GLU A 53 39.074 29.333 72.670 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.561 31.004 72.461 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.015 30.177 73.932 1.00 0.00 H new ATOM 0 HG3 GLU A 53 38.552 30.438 74.733 1.00 0.00 H new ATOM 813 N SER A 54 35.742 29.632 70.257 1.00 0.00 N ATOM 814 CA SER A 54 34.616 28.744 69.979 1.00 0.00 C ATOM 815 C SER A 54 34.493 28.493 68.440 1.00 0.00 C ATOM 816 O SER A 54 35.217 29.102 67.651 1.00 0.00 O ATOM 817 CB SER A 54 33.294 29.235 70.618 1.00 0.00 C ATOM 818 OG SER A 54 32.368 28.157 70.709 1.00 0.00 O ATOM 0 H SER A 54 35.732 30.481 69.692 1.00 0.00 H new ATOM 0 HA SER A 54 34.819 27.785 70.457 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.489 29.642 71.610 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.869 30.041 70.020 1.00 0.00 H new ATOM 0 HG SER A 54 31.535 28.475 71.116 1.00 0.00 H new ATOM 824 N ASP A 55 33.598 27.512 68.027 1.00 0.00 N ATOM 825 CA ASP A 55 33.635 27.099 66.614 1.00 0.00 C ATOM 826 C ASP A 55 32.931 28.208 65.767 1.00 0.00 C ATOM 827 O ASP A 55 31.767 28.547 65.975 1.00 0.00 O ATOM 828 CB ASP A 55 33.006 25.726 66.277 1.00 0.00 C ATOM 829 CG ASP A 55 33.389 25.280 64.838 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.398 25.815 64.366 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.664 24.447 64.289 1.00 0.00 O ATOM 0 H ASP A 55 32.909 27.044 68.616 1.00 0.00 H new ATOM 0 HA ASP A 55 34.691 26.976 66.375 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.345 24.980 66.996 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.921 25.786 66.367 1.00 0.00 H new ATOM 836 N LYS A 56 33.703 28.786 64.764 1.00 0.00 N ATOM 837 CA LYS A 56 33.274 29.818 63.826 1.00 0.00 C ATOM 838 C LYS A 56 33.185 31.188 64.575 1.00 0.00 C ATOM 839 O LYS A 56 33.799 32.162 64.146 1.00 0.00 O ATOM 840 CB LYS A 56 32.004 29.507 63.011 1.00 0.00 C ATOM 841 CG LYS A 56 31.928 28.071 62.430 1.00 0.00 C ATOM 842 CD LYS A 56 33.098 27.579 61.554 1.00 0.00 C ATOM 843 CE LYS A 56 32.907 26.124 61.073 1.00 0.00 C ATOM 844 NZ LYS A 56 33.516 25.161 62.109 1.00 0.00 N ATOM 0 H LYS A 56 34.673 28.509 64.613 1.00 0.00 H new ATOM 0 HA LYS A 56 34.040 29.861 63.052 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.134 29.671 63.647 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.936 30.219 62.188 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.823 27.379 63.265 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.015 27.998 61.839 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.200 28.234 60.689 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.027 27.652 62.120 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.847 25.909 60.939 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.385 25.984 60.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.004 24.385 61.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.196 25.676 62.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.760 24.770 62.706 1.00 0.00 H new ATOM 858 N CYS A 57 32.368 31.239 65.689 1.00 0.00 N ATOM 859 CA CYS A 57 32.143 32.353 66.609 1.00 0.00 C ATOM 860 C CYS A 57 31.879 33.615 65.729 1.00 0.00 C ATOM 861 O CYS A 57 32.533 34.645 65.864 1.00 0.00 O ATOM 862 CB CYS A 57 33.204 32.464 67.720 1.00 0.00 C ATOM 863 SG CYS A 57 33.062 33.958 68.747 1.00 0.00 S ATOM 0 H CYS A 57 31.820 30.423 65.962 1.00 0.00 H new ATOM 0 HA CYS A 57 31.259 32.197 67.228 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.132 31.587 68.364 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.194 32.444 67.264 1.00 0.00 H new ATOM 868 N ASN A 58 30.822 33.507 64.836 1.00 0.00 N ATOM 869 CA ASN A 58 30.280 34.608 64.049 1.00 0.00 C ATOM 870 C ASN A 58 31.328 35.023 62.963 1.00 0.00 C ATOM 871 O ASN A 58 31.952 36.079 63.034 1.00 0.00 O ATOM 872 CB ASN A 58 29.709 35.746 64.914 1.00 0.00 C ATOM 873 CG ASN A 58 28.749 35.140 65.940 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.695 34.616 65.629 1.00 0.00 O ATOM 875 ND2 ASN A 58 29.173 35.199 67.223 1.00 0.00 N ATOM 0 H ASN A 58 30.340 32.624 64.666 1.00 0.00 H new ATOM 0 HA ASN A 58 29.393 34.278 63.509 1.00 0.00 H new ATOM 0 HB2 ASN A 58 30.515 36.280 65.418 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.188 36.472 64.290 1.00 0.00 H new ATOM 0 HD21 ASN A 58 28.604 34.796 67.967 1.00 0.00 H new ATOM 0 HD22 ASN A 58 30.062 35.646 67.446 1.00 0.00 H new ATOM 882 N LEU A 59 31.490 34.105 61.934 1.00 0.00 N ATOM 883 CA LEU A 59 32.152 34.349 60.632 1.00 0.00 C ATOM 884 C LEU A 59 33.715 34.725 60.726 1.00 0.00 C ATOM 885 O LEU A 59 34.088 35.760 60.168 1.00 0.00 O ATOM 886 CB LEU A 59 31.421 35.438 59.807 1.00 0.00 C ATOM 887 CG LEU A 59 29.889 35.484 59.596 1.00 0.00 C ATOM 888 CD1 LEU A 59 29.541 36.747 58.789 1.00 0.00 C ATOM 889 CD2 LEU A 59 29.328 34.234 58.904 1.00 0.00 C ATOM 890 OXT LEU A 59 34.437 33.918 61.323 1.00 0.00 O ATOM 0 H LEU A 59 31.143 33.149 62.015 1.00 0.00 H new ATOM 0 HA LEU A 59 32.087 33.386 60.126 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.695 36.393 60.255 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.864 35.414 58.811 1.00 0.00 H new ATOM 0 HG LEU A 59 29.421 35.511 60.580 1.00 0.00 H new ATOM 0 HD11 LEU A 59 28.463 36.793 58.632 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.866 37.631 59.338 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.047 36.713 57.824 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.249 34.335 58.789 1.00 0.00 H new ATOM 0 HD22 LEU A 59 29.789 34.124 57.922 1.00 0.00 H new ATOM 0 HD23 LEU A 59 29.547 33.354 59.509 1.00 0.00 H new TER 902 LEU A 59