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= -0.0582 K(o=1.8,f=0.013) USER MOD Set 1.2: A 6 HIS : no HD1:sc= 0.612 K(o=1.8,f=-1) USER MOD Set 1.3: A 13 THR OG1 : rot -91:sc= 1.25 USER MOD Single : A 1 ARG N :NH3+ -139:sc= 0.531! (180deg=-3.84!) USER MOD Single : A 4 TYR OH : rot 180:sc=-0.00565 USER MOD Single : A 9 THR OG1 : rot 9:sc= 0.206 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 108:sc= 0.664 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 1.58! (180deg=1.27!) USER MOD Single : A 25 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.1!) USER MOD Single : A 28 THR OG1 : rot -97:sc= 1.29 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= 0.00475 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.706! (180deg=-1.06!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.415 25.192 67.288 1.00 0.00 N ATOM 2 CA ARG A 1 40.078 24.751 66.671 1.00 0.00 C ATOM 3 C ARG A 1 40.139 24.939 65.119 1.00 0.00 C ATOM 4 O ARG A 1 41.094 25.516 64.609 1.00 0.00 O ATOM 5 CB ARG A 1 38.860 25.544 67.243 1.00 0.00 C ATOM 6 CG ARG A 1 37.709 24.683 67.819 1.00 0.00 C ATOM 7 CD ARG A 1 38.115 23.823 69.024 1.00 0.00 C ATOM 8 NE ARG A 1 38.813 24.557 70.129 1.00 0.00 N ATOM 9 CZ ARG A 1 38.292 25.572 70.799 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.041 25.566 71.168 1.00 0.00 N ATOM 11 NH2 ARG A 1 39.042 26.601 71.093 1.00 0.00 N ATOM 0 H1 ARG A 1 41.688 24.525 68.037 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.149 25.206 66.552 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.313 26.144 67.693 1.00 0.00 H new ATOM 0 HA ARG A 1 39.930 23.702 66.928 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.219 26.209 68.028 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.456 26.175 66.451 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.890 25.340 68.114 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.328 24.031 67.033 1.00 0.00 H new ATOM 0 HD2 ARG A 1 37.220 23.352 69.431 1.00 0.00 H new ATOM 0 HD3 ARG A 1 38.766 23.022 68.675 1.00 0.00 H new ATOM 0 HE ARG A 1 39.753 24.253 70.382 1.00 0.00 H new ATOM 0 HH11 ARG A 1 36.446 24.769 70.941 1.00 0.00 H new ATOM 0 HH12 ARG A 1 36.658 26.358 71.684 1.00 0.00 H new ATOM 0 HH21 ARG A 1 40.021 26.617 70.806 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.649 27.388 71.609 1.00 0.00 H new ATOM 27 N ILE A 2 39.091 24.414 64.363 1.00 0.00 N ATOM 28 CA ILE A 2 39.063 24.621 62.901 1.00 0.00 C ATOM 29 C ILE A 2 38.626 26.101 62.659 1.00 0.00 C ATOM 30 O ILE A 2 37.572 26.556 63.109 1.00 0.00 O ATOM 31 CB ILE A 2 38.072 23.747 62.085 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.363 22.231 62.210 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.018 24.140 60.582 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.094 21.366 62.183 1.00 0.00 C ATOM 0 H ILE A 2 38.310 23.878 64.742 1.00 0.00 H new ATOM 0 HA ILE A 2 40.061 24.349 62.557 1.00 0.00 H new ATOM 0 HB ILE A 2 37.097 23.948 62.529 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.020 21.926 61.396 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.901 22.046 63.140 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.309 23.495 60.063 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.700 25.178 60.489 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.007 24.022 60.139 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.368 20.315 62.275 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.445 21.646 63.013 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.567 21.523 61.242 1.00 0.00 H new ATOM 46 N CYS A 3 39.475 26.858 61.872 1.00 0.00 N ATOM 47 CA CYS A 3 39.079 28.171 61.384 1.00 0.00 C ATOM 48 C CYS A 3 39.493 28.328 59.878 1.00 0.00 C ATOM 49 O CYS A 3 40.060 27.418 59.281 1.00 0.00 O ATOM 50 CB CYS A 3 39.563 29.339 62.262 1.00 0.00 C ATOM 51 SG CYS A 3 39.522 28.877 64.036 1.00 0.00 S ATOM 0 H CYS A 3 40.408 26.562 61.586 1.00 0.00 H new ATOM 0 HA CYS A 3 37.993 28.226 61.453 1.00 0.00 H new ATOM 0 HB2 CYS A 3 40.577 29.618 61.977 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.933 30.212 62.094 1.00 0.00 H new ATOM 56 N TYR A 4 39.156 29.514 59.259 1.00 0.00 N ATOM 57 CA TYR A 4 39.212 29.647 57.786 1.00 0.00 C ATOM 58 C TYR A 4 40.312 30.605 57.244 1.00 0.00 C ATOM 59 O TYR A 4 40.905 31.365 58.003 1.00 0.00 O ATOM 60 CB TYR A 4 37.884 30.289 57.349 1.00 0.00 C ATOM 61 CG TYR A 4 36.640 29.506 57.714 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.176 29.391 59.023 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.889 28.888 56.721 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.054 28.650 59.339 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.756 28.147 57.011 1.00 0.00 C ATOM 66 CZ TYR A 4 34.312 28.015 58.327 1.00 0.00 C ATOM 67 OH TYR A 4 33.192 27.314 58.659 1.00 0.00 O ATOM 0 H TYR A 4 38.855 30.354 59.752 1.00 0.00 H new ATOM 0 HA TYR A 4 39.418 28.648 57.402 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.814 31.281 57.795 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.903 30.427 56.268 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.710 29.896 59.814 1.00 0.00 H new ATOM 0 HD2 TYR A 4 36.199 28.989 55.691 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.745 28.558 60.370 1.00 0.00 H new ATOM 0 HE2 TYR A 4 34.211 27.667 56.212 1.00 0.00 H new ATOM 0 HH TYR A 4 32.791 26.936 57.849 1.00 0.00 H new ATOM 77 N ASN A 5 40.488 30.606 55.865 1.00 0.00 N ATOM 78 CA ASN A 5 41.322 31.636 55.233 1.00 0.00 C ATOM 79 C ASN A 5 40.884 31.787 53.738 1.00 0.00 C ATOM 80 O ASN A 5 41.700 32.108 52.876 1.00 0.00 O ATOM 81 CB ASN A 5 42.845 31.406 55.396 1.00 0.00 C ATOM 82 CG ASN A 5 43.327 30.068 54.849 1.00 0.00 C ATOM 83 OD1 ASN A 5 42.661 29.330 54.148 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.594 29.754 55.198 1.00 0.00 N ATOM 0 H ASN A 5 40.074 29.929 55.224 1.00 0.00 H new ATOM 0 HA ASN A 5 41.153 32.577 55.757 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.380 32.209 54.890 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.101 31.469 56.454 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.011 28.882 54.873 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.133 30.389 55.787 1.00 0.00 H new ATOM 91 N HIS A 6 39.538 31.615 53.452 1.00 0.00 N ATOM 92 CA HIS A 6 38.944 31.653 52.123 1.00 0.00 C ATOM 93 C HIS A 6 38.821 33.102 51.536 1.00 0.00 C ATOM 94 O HIS A 6 39.313 34.055 52.132 1.00 0.00 O ATOM 95 CB HIS A 6 39.428 30.506 51.146 1.00 0.00 C ATOM 96 CG HIS A 6 40.685 30.715 50.360 1.00 0.00 C ATOM 97 ND1 HIS A 6 41.454 29.642 49.868 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.313 31.806 49.836 1.00 0.00 C ATOM 99 CE1 HIS A 6 42.494 30.047 49.146 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.408 31.382 49.101 1.00 0.00 N ATOM 0 H HIS A 6 38.849 31.444 54.184 1.00 0.00 H new ATOM 0 HA HIS A 6 37.900 31.369 52.253 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.555 29.599 51.738 1.00 0.00 H new ATOM 0 HB3 HIS A 6 38.623 30.314 50.437 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.007 32.833 49.972 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.252 29.427 48.690 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.052 31.995 48.601 1.00 0.00 H new ATOM 109 N LEU A 7 38.058 33.264 50.392 1.00 0.00 N ATOM 110 CA LEU A 7 37.777 34.584 49.831 1.00 0.00 C ATOM 111 C LEU A 7 39.045 35.257 49.206 1.00 0.00 C ATOM 112 O LEU A 7 40.034 34.602 48.883 1.00 0.00 O ATOM 113 CB LEU A 7 36.908 35.430 50.783 1.00 0.00 C ATOM 114 CG LEU A 7 35.542 34.784 51.139 1.00 0.00 C ATOM 115 CD1 LEU A 7 34.960 35.397 52.416 1.00 0.00 C ATOM 116 CD2 LEU A 7 34.538 34.901 49.980 1.00 0.00 C ATOM 0 H LEU A 7 37.646 32.490 49.870 1.00 0.00 H new ATOM 0 HA LEU A 7 37.139 34.474 48.954 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.464 35.608 51.703 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.729 36.403 50.326 1.00 0.00 H new ATOM 0 HG LEU A 7 35.724 33.724 51.316 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.003 34.926 52.642 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.649 35.234 53.245 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.813 36.467 52.271 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.594 34.437 50.268 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.370 35.953 49.749 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.937 34.396 49.100 1.00 0.00 H new ATOM 128 N GLY A 8 38.923 36.596 48.881 1.00 0.00 N ATOM 129 CA GLY A 8 39.928 37.258 48.032 1.00 0.00 C ATOM 130 C GLY A 8 39.422 37.100 46.589 1.00 0.00 C ATOM 131 O GLY A 8 39.067 38.047 45.896 1.00 0.00 O ATOM 0 H GLY A 8 38.161 37.198 49.192 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.033 38.310 48.297 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.909 36.799 48.156 1.00 0.00 H new ATOM 135 N THR A 9 39.413 35.791 46.157 1.00 0.00 N ATOM 136 CA THR A 9 38.884 35.367 44.869 1.00 0.00 C ATOM 137 C THR A 9 38.370 33.911 45.015 1.00 0.00 C ATOM 138 O THR A 9 37.313 33.584 44.475 1.00 0.00 O ATOM 139 CB THR A 9 39.897 35.430 43.692 1.00 0.00 C ATOM 140 OG1 THR A 9 40.193 36.784 43.333 1.00 0.00 O ATOM 141 CG2 THR A 9 39.448 34.738 42.396 1.00 0.00 C ATOM 0 H THR A 9 39.781 35.022 46.717 1.00 0.00 H new ATOM 0 HA THR A 9 38.092 36.070 44.612 1.00 0.00 H new ATOM 0 HB THR A 9 40.762 34.897 44.087 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.800 37.391 43.995 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.227 34.841 41.640 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.269 33.681 42.591 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.529 35.201 42.036 1.00 0.00 H new ATOM 149 N LYS A 10 39.137 33.025 45.754 1.00 0.00 N ATOM 150 CA LYS A 10 38.815 31.576 45.830 1.00 0.00 C ATOM 151 C LYS A 10 38.132 31.184 47.205 1.00 0.00 C ATOM 152 O LYS A 10 38.717 31.434 48.248 1.00 0.00 O ATOM 153 CB LYS A 10 40.074 30.709 45.594 1.00 0.00 C ATOM 154 CG LYS A 10 40.604 30.756 44.129 1.00 0.00 C ATOM 155 CD LYS A 10 39.593 30.238 43.069 1.00 0.00 C ATOM 156 CE LYS A 10 39.924 30.533 41.584 1.00 0.00 C ATOM 157 NZ LYS A 10 38.651 31.005 40.856 1.00 0.00 N ATOM 0 H LYS A 10 39.962 33.299 46.288 1.00 0.00 H new ATOM 0 HA LYS A 10 38.097 31.376 45.035 1.00 0.00 H new ATOM 0 HB2 LYS A 10 40.864 31.041 46.267 1.00 0.00 H new ATOM 0 HB3 LYS A 10 39.846 29.676 45.855 1.00 0.00 H new ATOM 0 HG2 LYS A 10 40.874 31.783 43.885 1.00 0.00 H new ATOM 0 HG3 LYS A 10 41.516 30.163 44.065 1.00 0.00 H new ATOM 0 HD2 LYS A 10 39.499 29.159 43.188 1.00 0.00 H new ATOM 0 HD3 LYS A 10 38.617 30.669 43.291 1.00 0.00 H new ATOM 0 HE2 LYS A 10 40.698 31.298 41.518 1.00 0.00 H new ATOM 0 HE3 LYS A 10 40.319 29.638 41.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 38.874 31.203 39.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 37.926 30.261 40.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 38.293 31.870 41.309 1.00 0.00 H new ATOM 171 N PRO A 11 36.921 30.460 47.211 1.00 0.00 N ATOM 172 CA PRO A 11 36.223 30.159 48.507 1.00 0.00 C ATOM 173 C PRO A 11 36.426 28.804 49.326 1.00 0.00 C ATOM 174 O PRO A 11 35.914 28.806 50.447 1.00 0.00 O ATOM 175 CB PRO A 11 34.712 30.264 48.195 1.00 0.00 C ATOM 176 CG PRO A 11 34.671 31.254 47.034 1.00 0.00 C ATOM 177 CD PRO A 11 35.870 30.777 46.224 1.00 0.00 C ATOM 0 HA PRO A 11 36.696 30.871 49.183 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.289 29.299 47.918 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.146 30.625 49.054 1.00 0.00 H new ATOM 0 HG2 PRO A 11 33.740 31.195 46.471 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.778 32.287 47.365 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.616 29.900 45.628 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.205 31.548 45.530 1.00 0.00 H new ATOM 185 N PRO A 12 37.227 27.729 48.927 1.00 0.00 N ATOM 186 CA PRO A 12 37.192 26.469 49.720 1.00 0.00 C ATOM 187 C PRO A 12 38.137 26.166 50.930 1.00 0.00 C ATOM 188 O PRO A 12 37.801 25.233 51.665 1.00 0.00 O ATOM 189 CB PRO A 12 37.603 25.379 48.703 1.00 0.00 C ATOM 190 CG PRO A 12 37.131 25.910 47.349 1.00 0.00 C ATOM 191 CD PRO A 12 37.330 27.420 47.500 1.00 0.00 C ATOM 0 HA PRO A 12 36.206 26.527 50.180 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.681 25.217 48.711 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.136 24.423 48.938 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.719 25.503 46.526 1.00 0.00 H new ATOM 0 HG3 PRO A 12 36.089 25.655 47.153 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.302 27.721 47.110 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.576 27.966 46.933 1.00 0.00 H new ATOM 199 N THR A 13 39.323 26.855 51.161 1.00 0.00 N ATOM 200 CA THR A 13 40.232 26.352 52.212 1.00 0.00 C ATOM 201 C THR A 13 39.952 26.843 53.671 1.00 0.00 C ATOM 202 O THR A 13 39.647 27.990 53.991 1.00 0.00 O ATOM 203 CB THR A 13 41.743 26.544 51.922 1.00 0.00 C ATOM 204 OG1 THR A 13 42.198 27.889 51.862 1.00 0.00 O ATOM 205 CG2 THR A 13 42.180 25.865 50.613 1.00 0.00 C ATOM 0 H THR A 13 39.632 27.691 50.665 1.00 0.00 H new ATOM 0 HA THR A 13 39.986 25.291 52.165 1.00 0.00 H new ATOM 0 HB THR A 13 42.200 26.074 52.793 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.141 28.213 50.939 1.00 0.00 H new ATOM 0 HG21 THR A 13 43.246 26.029 50.456 1.00 0.00 H new ATOM 0 HG22 THR A 13 41.983 24.795 50.675 1.00 0.00 H new ATOM 0 HG23 THR A 13 41.621 26.289 49.779 1.00 0.00 H new ATOM 213 N THR A 14 40.187 25.833 54.581 1.00 0.00 N ATOM 214 CA THR A 14 40.037 25.889 56.021 1.00 0.00 C ATOM 215 C THR A 14 41.228 25.106 56.667 1.00 0.00 C ATOM 216 O THR A 14 41.749 24.137 56.113 1.00 0.00 O ATOM 217 CB THR A 14 38.692 25.308 56.476 1.00 0.00 C ATOM 218 OG1 THR A 14 38.493 23.915 56.233 1.00 0.00 O ATOM 219 CG2 THR A 14 37.531 26.139 55.906 1.00 0.00 C ATOM 0 H THR A 14 40.505 24.914 54.273 1.00 0.00 H new ATOM 0 HA THR A 14 40.051 26.930 56.344 1.00 0.00 H new ATOM 0 HB THR A 14 38.715 25.381 57.563 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.609 23.649 56.561 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.583 25.715 56.237 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.612 27.167 56.259 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.574 26.125 54.817 1.00 0.00 H new ATOM 227 N GLU A 15 41.652 25.571 57.894 1.00 0.00 N ATOM 228 CA GLU A 15 42.826 25.036 58.600 1.00 0.00 C ATOM 229 C GLU A 15 42.344 24.370 59.932 1.00 0.00 C ATOM 230 O GLU A 15 41.784 25.027 60.810 1.00 0.00 O ATOM 231 CB GLU A 15 43.849 26.135 58.965 1.00 0.00 C ATOM 232 CG GLU A 15 44.412 26.992 57.812 1.00 0.00 C ATOM 233 CD GLU A 15 44.881 26.162 56.631 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.345 26.117 55.534 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.993 25.488 56.909 1.00 0.00 O ATOM 0 H GLU A 15 41.179 26.321 58.399 1.00 0.00 H new ATOM 0 HA GLU A 15 43.313 24.324 57.934 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.380 26.806 59.685 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.688 25.659 59.472 1.00 0.00 H new ATOM 0 HG2 GLU A 15 43.645 27.690 57.477 1.00 0.00 H new ATOM 0 HG3 GLU A 15 45.245 27.589 58.183 1.00 0.00 H new ATOM 243 N THR A 16 42.598 23.011 60.104 1.00 0.00 N ATOM 244 CA THR A 16 42.378 22.389 61.425 1.00 0.00 C ATOM 245 C THR A 16 43.618 22.908 62.239 1.00 0.00 C ATOM 246 O THR A 16 44.738 22.433 62.047 1.00 0.00 O ATOM 247 CB THR A 16 42.290 20.834 61.439 1.00 0.00 C ATOM 248 OG1 THR A 16 41.154 20.331 60.727 1.00 0.00 O ATOM 249 CG2 THR A 16 42.157 20.258 62.856 1.00 0.00 C ATOM 0 H THR A 16 42.934 22.382 59.375 1.00 0.00 H new ATOM 0 HA THR A 16 41.404 22.662 61.831 1.00 0.00 H new ATOM 0 HB THR A 16 43.223 20.526 60.967 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.150 19.352 60.767 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.100 19.171 62.803 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.024 20.547 63.449 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.252 20.646 63.323 1.00 0.00 H new ATOM 257 N CYS A 17 43.412 23.885 63.212 1.00 0.00 N ATOM 258 CA CYS A 17 44.557 24.567 63.856 1.00 0.00 C ATOM 259 C CYS A 17 44.648 24.212 65.379 1.00 0.00 C ATOM 260 O CYS A 17 43.659 24.071 66.100 1.00 0.00 O ATOM 261 CB CYS A 17 44.440 26.084 63.770 1.00 0.00 C ATOM 262 SG CYS A 17 46.003 26.955 64.081 1.00 0.00 S ATOM 0 H CYS A 17 42.494 24.189 63.538 1.00 0.00 H new ATOM 0 HA CYS A 17 45.441 24.223 63.319 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.073 26.356 62.780 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.695 26.424 64.490 1.00 0.00 H new ATOM 267 N GLN A 18 45.945 24.168 65.857 1.00 0.00 N ATOM 268 CA GLN A 18 46.299 23.741 67.214 1.00 0.00 C ATOM 269 C GLN A 18 46.322 24.916 68.238 1.00 0.00 C ATOM 270 O GLN A 18 46.270 24.654 69.441 1.00 0.00 O ATOM 271 CB GLN A 18 47.643 22.977 67.242 1.00 0.00 C ATOM 272 CG GLN A 18 48.909 23.867 67.223 1.00 0.00 C ATOM 273 CD GLN A 18 50.127 23.101 66.706 1.00 0.00 C ATOM 274 OE1 GLN A 18 50.520 23.188 65.558 1.00 0.00 O ATOM 275 NE2 GLN A 18 50.748 22.319 67.618 1.00 0.00 N ATOM 0 H GLN A 18 46.752 24.432 65.292 1.00 0.00 H new ATOM 0 HA GLN A 18 45.506 23.061 67.523 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.670 22.354 68.136 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.678 22.305 66.385 1.00 0.00 H new ATOM 0 HG2 GLN A 18 48.732 24.739 66.593 1.00 0.00 H new ATOM 0 HG3 GLN A 18 49.110 24.236 68.229 1.00 0.00 H new ATOM 0 HE21 GLN A 18 50.393 22.268 68.573 1.00 0.00 H new ATOM 0 HE22 GLN A 18 51.572 21.780 67.351 1.00 0.00 H new ATOM 284 N GLU A 19 46.418 26.227 67.791 1.00 0.00 N ATOM 285 CA GLU A 19 46.380 27.357 68.725 1.00 0.00 C ATOM 286 C GLU A 19 44.873 27.530 69.145 1.00 0.00 C ATOM 287 O GLU A 19 43.978 27.641 68.308 1.00 0.00 O ATOM 288 CB GLU A 19 46.935 28.650 68.092 1.00 0.00 C ATOM 289 CG GLU A 19 48.429 28.632 67.692 1.00 0.00 C ATOM 290 CD GLU A 19 49.322 28.236 68.863 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.653 27.103 69.152 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.735 29.302 69.547 1.00 0.00 O ATOM 0 H GLU A 19 46.519 26.491 66.811 1.00 0.00 H new ATOM 0 HA GLU A 19 47.014 27.160 69.590 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.346 28.876 67.203 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.779 29.469 68.794 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.577 27.933 66.869 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.720 29.618 67.329 1.00 0.00 H new ATOM 300 N ASP A 20 44.623 27.587 70.510 1.00 0.00 N ATOM 301 CA ASP A 20 43.322 27.593 71.189 1.00 0.00 C ATOM 302 C ASP A 20 42.386 28.822 70.894 1.00 0.00 C ATOM 303 O ASP A 20 41.334 28.941 71.532 1.00 0.00 O ATOM 304 CB ASP A 20 42.570 26.247 71.230 1.00 0.00 C ATOM 305 CG ASP A 20 41.809 25.820 69.950 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.312 26.721 69.269 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.687 24.605 69.761 1.00 0.00 O ATOM 0 H ASP A 20 45.392 27.632 71.179 1.00 0.00 H new ATOM 0 HA ASP A 20 43.646 27.750 72.218 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.290 25.465 71.471 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.854 26.285 72.051 1.00 0.00 H new ATOM 312 N SER A 21 42.798 29.800 70.019 1.00 0.00 N ATOM 313 CA SER A 21 41.989 30.956 69.680 1.00 0.00 C ATOM 314 C SER A 21 42.229 31.296 68.189 1.00 0.00 C ATOM 315 O SER A 21 43.289 31.048 67.610 1.00 0.00 O ATOM 316 CB SER A 21 42.322 32.205 70.541 1.00 0.00 C ATOM 317 OG SER A 21 41.870 32.120 71.887 1.00 0.00 O ATOM 0 H SER A 21 43.702 29.781 69.547 1.00 0.00 H new ATOM 0 HA SER A 21 40.948 30.701 69.877 1.00 0.00 H new ATOM 0 HB2 SER A 21 43.401 32.356 70.540 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.877 33.084 70.074 1.00 0.00 H new ATOM 0 HG SER A 21 42.639 32.000 72.483 1.00 0.00 H new ATOM 323 N CYS A 22 41.170 31.917 67.560 1.00 0.00 N ATOM 324 CA CYS A 22 41.301 32.254 66.160 1.00 0.00 C ATOM 325 C CYS A 22 40.424 33.489 65.845 1.00 0.00 C ATOM 326 O CYS A 22 39.329 33.691 66.367 1.00 0.00 O ATOM 327 CB CYS A 22 41.013 31.042 65.239 1.00 0.00 C ATOM 328 SG CYS A 22 39.254 30.655 65.031 1.00 0.00 S ATOM 0 H CYS A 22 40.283 32.167 67.998 1.00 0.00 H new ATOM 0 HA CYS A 22 42.337 32.521 65.951 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.448 31.236 64.258 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.519 30.166 65.644 1.00 0.00 H new ATOM 333 N TYR A 23 40.955 34.336 64.893 1.00 0.00 N ATOM 334 CA TYR A 23 40.475 35.720 64.775 1.00 0.00 C ATOM 335 C TYR A 23 39.800 36.050 63.424 1.00 0.00 C ATOM 336 O TYR A 23 40.203 35.577 62.363 1.00 0.00 O ATOM 337 CB TYR A 23 41.696 36.676 64.960 1.00 0.00 C ATOM 338 CG TYR A 23 42.874 36.350 64.055 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.998 36.922 62.792 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.892 35.494 64.467 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.127 36.741 62.007 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.025 35.284 63.691 1.00 0.00 C ATOM 343 CZ TYR A 23 45.177 35.925 62.462 1.00 0.00 C ATOM 344 OH TYR A 23 46.290 35.782 61.691 1.00 0.00 O ATOM 0 H TYR A 23 41.686 34.076 64.231 1.00 0.00 H new ATOM 0 HA TYR A 23 39.712 35.852 65.542 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.376 37.700 64.769 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.025 36.633 65.998 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.188 37.527 62.411 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.799 34.981 65.413 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.199 37.227 61.045 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.797 34.616 64.044 1.00 0.00 H new ATOM 0 HH TYR A 23 46.926 35.188 62.142 1.00 0.00 H new ATOM 354 N LYS A 24 38.742 36.942 63.523 1.00 0.00 N ATOM 355 CA LYS A 24 37.970 37.455 62.391 1.00 0.00 C ATOM 356 C LYS A 24 38.636 38.833 62.064 1.00 0.00 C ATOM 357 O LYS A 24 38.578 39.818 62.797 1.00 0.00 O ATOM 358 CB LYS A 24 36.470 37.596 62.708 1.00 0.00 C ATOM 359 CG LYS A 24 35.777 36.243 62.986 1.00 0.00 C ATOM 360 CD LYS A 24 34.295 36.348 63.391 1.00 0.00 C ATOM 361 CE LYS A 24 33.315 36.626 62.243 1.00 0.00 C ATOM 362 NZ LYS A 24 32.920 35.280 61.630 1.00 0.00 N ATOM 0 H LYS A 24 38.423 37.310 64.419 1.00 0.00 H new ATOM 0 HA LYS A 24 37.993 36.771 61.543 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.348 38.244 63.576 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.973 38.086 61.871 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.852 35.622 62.093 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.320 35.729 63.779 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.003 35.418 63.878 1.00 0.00 H new ATOM 0 HD3 LYS A 24 34.194 37.141 64.132 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.434 37.151 62.611 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.778 37.267 61.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.155 35.424 60.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.743 34.861 61.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.593 34.639 62.381 1.00 0.00 H new ATOM 376 N ASN A 25 39.291 38.861 60.855 1.00 0.00 N ATOM 377 CA ASN A 25 40.085 39.970 60.304 1.00 0.00 C ATOM 378 C ASN A 25 39.255 40.389 59.024 1.00 0.00 C ATOM 379 O ASN A 25 38.929 39.593 58.144 1.00 0.00 O ATOM 380 CB ASN A 25 41.481 39.442 60.036 1.00 0.00 C ATOM 381 CG ASN A 25 42.453 40.500 59.596 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.257 41.031 60.338 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.353 40.815 58.295 1.00 0.00 N ATOM 0 H ASN A 25 39.266 38.061 60.222 1.00 0.00 H new ATOM 0 HA ASN A 25 40.235 40.842 60.941 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.860 38.967 60.941 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.427 38.670 59.269 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.966 41.525 57.894 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.664 40.345 57.708 1.00 0.00 H new ATOM 390 N ILE A 26 38.913 41.738 58.967 1.00 0.00 N ATOM 391 CA ILE A 26 37.662 42.198 58.292 1.00 0.00 C ATOM 392 C ILE A 26 37.821 43.267 57.158 1.00 0.00 C ATOM 393 O ILE A 26 36.923 43.496 56.351 1.00 0.00 O ATOM 394 CB ILE A 26 36.774 42.792 59.418 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.269 44.116 60.090 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.488 41.738 60.511 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.269 44.008 61.261 1.00 0.00 C ATOM 0 H ILE A 26 39.476 42.487 59.370 1.00 0.00 H new ATOM 0 HA ILE A 26 37.244 41.334 57.775 1.00 0.00 H new ATOM 0 HB ILE A 26 35.865 43.075 58.887 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.727 44.731 59.316 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.393 44.656 60.449 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.864 42.180 61.288 1.00 0.00 H new ATOM 0 HG22 ILE A 26 35.969 40.887 60.069 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.429 41.403 60.948 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.517 45.007 61.621 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.821 43.432 62.070 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.176 43.509 60.920 1.00 0.00 H new ATOM 409 N TRP A 27 39.000 43.961 57.188 1.00 0.00 N ATOM 410 CA TRP A 27 39.589 44.997 56.343 1.00 0.00 C ATOM 411 C TRP A 27 40.310 44.213 55.179 1.00 0.00 C ATOM 412 O TRP A 27 39.670 43.797 54.219 1.00 0.00 O ATOM 413 CB TRP A 27 40.554 45.907 57.204 1.00 0.00 C ATOM 414 CG TRP A 27 41.136 45.210 58.412 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.413 43.820 58.475 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.346 45.647 59.718 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.651 43.384 59.739 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.660 44.534 60.504 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.203 46.891 60.382 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.861 44.545 61.845 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.400 46.946 61.755 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.737 45.785 62.483 1.00 0.00 C ATOM 0 H TRP A 27 39.651 43.751 57.944 1.00 0.00 H new ATOM 0 HA TRP A 27 38.860 45.689 55.920 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.369 46.256 56.570 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.006 46.790 57.535 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.433 43.176 57.608 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.791 42.424 60.053 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.945 47.782 59.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.104 43.646 62.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.294 47.888 62.272 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.902 45.854 63.548 1.00 0.00 H new ATOM 433 N THR A 28 41.682 44.013 55.276 1.00 0.00 N ATOM 434 CA THR A 28 42.487 43.273 54.294 1.00 0.00 C ATOM 435 C THR A 28 42.712 44.132 52.992 1.00 0.00 C ATOM 436 O THR A 28 41.936 45.020 52.645 1.00 0.00 O ATOM 437 CB THR A 28 41.995 41.849 53.901 1.00 0.00 C ATOM 438 OG1 THR A 28 42.997 41.122 53.190 1.00 0.00 O ATOM 439 CG2 THR A 28 41.404 40.952 55.001 1.00 0.00 C ATOM 0 H THR A 28 42.234 44.375 56.053 1.00 0.00 H new ATOM 0 HA THR A 28 43.422 43.099 54.826 1.00 0.00 H new ATOM 0 HB THR A 28 41.141 42.089 53.268 1.00 0.00 H new ATOM 0 HG1 THR A 28 42.836 41.201 52.226 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.108 39.995 54.570 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.152 40.785 55.776 1.00 0.00 H new ATOM 0 HG23 THR A 28 40.532 41.439 55.438 1.00 0.00 H new ATOM 447 N PHE A 29 43.838 43.816 52.244 1.00 0.00 N ATOM 448 CA PHE A 29 44.171 44.525 51.001 1.00 0.00 C ATOM 449 C PHE A 29 42.977 44.482 49.996 1.00 0.00 C ATOM 450 O PHE A 29 42.673 45.478 49.341 1.00 0.00 O ATOM 451 CB PHE A 29 45.385 43.890 50.293 1.00 0.00 C ATOM 452 CG PHE A 29 46.635 43.914 51.150 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.262 45.120 51.480 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.201 42.728 51.628 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.408 45.149 52.274 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.345 42.739 52.425 1.00 0.00 C ATOM 457 CZ PHE A 29 48.956 43.954 52.756 1.00 0.00 C ATOM 0 H PHE A 29 44.501 43.084 52.499 1.00 0.00 H new ATOM 0 HA PHE A 29 44.398 45.552 51.287 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.149 42.859 50.029 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.577 44.422 49.361 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.850 46.048 51.112 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.742 41.784 51.375 1.00 0.00 H new ATOM 0 HE1 PHE A 29 48.873 46.093 52.517 1.00 0.00 H new ATOM 0 HE2 PHE A 29 48.760 41.810 52.787 1.00 0.00 H new ATOM 0 HZ PHE A 29 49.840 43.970 53.376 1.00 0.00 H new ATOM 467 N ASP A 30 42.350 43.267 49.857 1.00 0.00 N ATOM 468 CA ASP A 30 41.255 42.912 48.974 1.00 0.00 C ATOM 469 C ASP A 30 39.843 43.393 49.497 1.00 0.00 C ATOM 470 O ASP A 30 38.858 43.115 48.812 1.00 0.00 O ATOM 471 CB ASP A 30 41.341 41.409 48.600 1.00 0.00 C ATOM 472 CG ASP A 30 41.935 40.394 49.625 1.00 0.00 C ATOM 473 OD1 ASP A 30 41.996 40.739 50.805 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.316 39.323 49.137 1.00 0.00 O ATOM 0 H ASP A 30 42.644 42.468 50.418 1.00 0.00 H new ATOM 0 HA ASP A 30 41.366 43.471 48.045 1.00 0.00 H new ATOM 0 HB2 ASP A 30 40.332 41.075 48.357 1.00 0.00 H new ATOM 0 HB3 ASP A 30 41.931 41.333 47.686 1.00 0.00 H new ATOM 479 N ASN A 31 39.704 44.166 50.649 1.00 0.00 N ATOM 480 CA ASN A 31 38.434 44.691 51.184 1.00 0.00 C ATOM 481 C ASN A 31 37.490 43.459 51.306 1.00 0.00 C ATOM 482 O ASN A 31 36.467 43.354 50.633 1.00 0.00 O ATOM 483 CB ASN A 31 37.866 45.894 50.430 1.00 0.00 C ATOM 484 CG ASN A 31 38.831 47.062 50.580 1.00 0.00 C ATOM 485 OD1 ASN A 31 38.803 47.831 51.523 1.00 0.00 O ATOM 486 ND2 ASN A 31 39.750 47.164 49.595 1.00 0.00 N ATOM 0 H ASN A 31 40.507 44.430 51.221 1.00 0.00 H new ATOM 0 HA ASN A 31 38.581 45.145 52.164 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.729 45.650 49.377 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.886 46.160 50.826 1.00 0.00 H new ATOM 0 HD21 ASN A 31 40.451 47.904 49.626 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.743 46.501 48.820 1.00 0.00 H new ATOM 493 N ILE A 32 37.867 42.535 52.265 1.00 0.00 N ATOM 494 CA ILE A 32 37.229 41.230 52.353 1.00 0.00 C ATOM 495 C ILE A 32 37.298 40.650 53.803 1.00 0.00 C ATOM 496 O ILE A 32 38.094 41.083 54.636 1.00 0.00 O ATOM 497 CB ILE A 32 37.946 40.231 51.396 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.174 38.986 50.928 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.281 39.758 52.005 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.982 39.260 50.001 1.00 0.00 C ATOM 0 H ILE A 32 38.597 42.697 52.959 1.00 0.00 H new ATOM 0 HA ILE A 32 36.184 41.358 52.072 1.00 0.00 H new ATOM 0 HB ILE A 32 38.069 40.836 50.498 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.868 38.322 50.413 1.00 0.00 H new ATOM 0 HG13 ILE A 32 36.814 38.451 51.807 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.766 39.061 51.321 1.00 0.00 H new ATOM 0 HG22 ILE A 32 39.931 40.618 52.169 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.091 39.260 52.956 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.508 38.317 49.730 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.260 39.895 50.515 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.331 39.763 49.099 1.00 0.00 H new ATOM 512 N ILE A 33 36.448 39.592 54.075 1.00 0.00 N ATOM 513 CA ILE A 33 36.527 38.883 55.366 1.00 0.00 C ATOM 514 C ILE A 33 37.520 37.707 55.052 1.00 0.00 C ATOM 515 O ILE A 33 37.155 36.681 54.484 1.00 0.00 O ATOM 516 CB ILE A 33 35.194 38.416 55.965 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.239 39.570 56.383 1.00 0.00 C ATOM 518 CG2 ILE A 33 35.391 37.507 57.199 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.671 40.472 55.274 1.00 0.00 C ATOM 0 H ILE A 33 35.737 39.241 53.433 1.00 0.00 H new ATOM 0 HA ILE A 33 36.864 39.548 56.161 1.00 0.00 H new ATOM 0 HB ILE A 33 34.732 37.863 55.147 1.00 0.00 H new ATOM 0 HG12 ILE A 33 33.398 39.130 56.920 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.772 40.205 57.091 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.418 37.203 57.586 1.00 0.00 H new ATOM 0 HG22 ILE A 33 35.960 36.623 56.912 1.00 0.00 H new ATOM 0 HG23 ILE A 33 35.934 38.053 57.970 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.024 41.229 55.717 1.00 0.00 H new ATOM 0 HD12 ILE A 33 34.491 40.959 54.746 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.096 39.868 54.573 1.00 0.00 H new ATOM 531 N ARG A 34 38.846 37.880 55.418 1.00 0.00 N ATOM 532 CA ARG A 34 39.873 36.862 55.133 1.00 0.00 C ATOM 533 C ARG A 34 40.803 36.917 56.371 1.00 0.00 C ATOM 534 O ARG A 34 41.350 37.947 56.764 1.00 0.00 O ATOM 535 CB ARG A 34 40.668 37.018 53.827 1.00 0.00 C ATOM 536 CG ARG A 34 41.637 35.854 53.540 1.00 0.00 C ATOM 537 CD ARG A 34 42.092 35.793 52.067 1.00 0.00 C ATOM 538 NE ARG A 34 42.746 36.969 51.449 1.00 0.00 N ATOM 539 CZ ARG A 34 43.676 37.760 51.952 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.185 37.566 53.136 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.109 38.742 51.212 1.00 0.00 N ATOM 0 H ARG A 34 39.198 38.707 55.901 1.00 0.00 H new ATOM 0 HA ARG A 34 39.385 35.902 54.968 1.00 0.00 H new ATOM 0 HB2 ARG A 34 39.968 37.108 52.996 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.235 37.948 53.868 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.513 35.953 54.181 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.153 34.913 53.804 1.00 0.00 H new ATOM 0 HD2 ARG A 34 42.780 34.952 51.974 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.215 35.555 51.465 1.00 0.00 H new ATOM 0 HE ARG A 34 42.435 37.200 50.505 1.00 0.00 H new ATOM 0 HH11 ARG A 34 43.866 36.783 53.706 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.902 38.198 53.493 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.730 38.880 50.275 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.827 39.372 51.570 1.00 0.00 H new ATOM 555 N ARG A 35 40.976 35.694 57.004 1.00 0.00 N ATOM 556 CA ARG A 35 41.396 35.697 58.393 1.00 0.00 C ATOM 557 C ARG A 35 42.197 34.443 58.815 1.00 0.00 C ATOM 558 O ARG A 35 42.719 33.734 57.955 1.00 0.00 O ATOM 559 CB ARG A 35 40.131 36.001 59.224 1.00 0.00 C ATOM 560 CG ARG A 35 38.874 35.086 59.175 1.00 0.00 C ATOM 561 CD ARG A 35 38.867 33.629 59.738 1.00 0.00 C ATOM 562 NE ARG A 35 37.895 33.307 60.839 1.00 0.00 N ATOM 563 CZ ARG A 35 38.176 32.822 62.042 1.00 0.00 C ATOM 564 NH1 ARG A 35 39.364 32.903 62.560 1.00 0.00 N ATOM 565 NH2 ARG A 35 37.221 32.232 62.710 1.00 0.00 N ATOM 0 H ARG A 35 40.834 34.777 56.580 1.00 0.00 H new ATOM 0 HA ARG A 35 42.140 36.472 58.577 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.444 36.050 60.267 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.803 37.002 58.943 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.079 35.623 59.692 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.582 35.016 58.127 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.670 32.950 58.908 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.870 33.405 60.101 1.00 0.00 H new ATOM 0 HE ARG A 35 36.910 33.481 60.639 1.00 0.00 H new ATOM 0 HH11 ARG A 35 40.118 33.351 62.039 1.00 0.00 H new ATOM 0 HH12 ARG A 35 39.543 32.519 63.488 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.288 32.154 62.305 1.00 0.00 H new ATOM 0 HH22 ARG A 35 37.408 31.850 63.637 1.00 0.00 H new ATOM 579 N GLY A 36 42.380 34.242 60.181 1.00 0.00 N ATOM 580 CA GLY A 36 43.246 33.099 60.486 1.00 0.00 C ATOM 581 C GLY A 36 43.363 32.620 61.940 1.00 0.00 C ATOM 582 O GLY A 36 42.571 32.973 62.807 1.00 0.00 O ATOM 0 H GLY A 36 41.994 34.780 60.957 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.900 32.255 59.889 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.250 33.345 60.139 1.00 0.00 H new ATOM 586 N CYS A 37 44.381 31.703 62.136 1.00 0.00 N ATOM 587 CA CYS A 37 44.620 31.010 63.412 1.00 0.00 C ATOM 588 C CYS A 37 45.720 31.780 64.223 1.00 0.00 C ATOM 589 O CYS A 37 46.852 31.951 63.768 1.00 0.00 O ATOM 590 CB CYS A 37 45.087 29.567 63.190 1.00 0.00 C ATOM 591 SG CYS A 37 45.191 28.708 64.784 1.00 0.00 S ATOM 0 H CYS A 37 45.041 31.443 61.403 1.00 0.00 H new ATOM 0 HA CYS A 37 43.680 30.987 63.963 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.393 29.047 62.530 1.00 0.00 H new ATOM 0 HB3 CYS A 37 46.060 29.561 62.698 1.00 0.00 H new ATOM 596 N GLY A 38 45.358 32.329 65.453 1.00 0.00 N ATOM 597 CA GLY A 38 46.425 32.922 66.253 1.00 0.00 C ATOM 598 C GLY A 38 45.826 33.226 67.637 1.00 0.00 C ATOM 599 O GLY A 38 45.873 32.420 68.559 1.00 0.00 O ATOM 0 H GLY A 38 44.419 32.357 65.850 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.269 32.238 66.339 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.799 33.833 65.785 1.00 0.00 H new ATOM 603 N CYS A 39 45.212 34.465 67.740 1.00 0.00 N ATOM 604 CA CYS A 39 44.648 34.950 68.994 1.00 0.00 C ATOM 605 C CYS A 39 45.746 35.493 69.965 1.00 0.00 C ATOM 606 O CYS A 39 46.881 35.736 69.562 1.00 0.00 O ATOM 607 CB CYS A 39 43.518 35.957 68.718 1.00 0.00 C ATOM 608 SG CYS A 39 42.574 36.491 70.177 1.00 0.00 S ATOM 0 H CYS A 39 45.113 35.114 66.959 1.00 0.00 H new ATOM 0 HA CYS A 39 44.201 34.107 69.521 1.00 0.00 H new ATOM 0 HB2 CYS A 39 43.948 36.838 68.242 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.827 35.514 68.001 1.00 0.00 H new ATOM 613 N PHE A 40 45.359 35.659 71.288 1.00 0.00 N ATOM 614 CA PHE A 40 46.342 35.828 72.357 1.00 0.00 C ATOM 615 C PHE A 40 47.139 37.178 72.117 1.00 0.00 C ATOM 616 O PHE A 40 48.356 37.139 71.951 1.00 0.00 O ATOM 617 CB PHE A 40 47.242 34.569 72.516 1.00 0.00 C ATOM 618 CG PHE A 40 46.490 33.231 72.489 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.478 32.899 73.401 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.785 32.278 71.502 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.788 31.690 73.323 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.104 31.067 71.413 1.00 0.00 C ATOM 623 CZ PHE A 40 45.108 30.761 72.336 1.00 0.00 C ATOM 0 H PHE A 40 44.388 35.675 71.601 1.00 0.00 H new ATOM 0 HA PHE A 40 45.838 35.919 73.319 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.985 34.568 71.718 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.785 34.645 73.458 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.226 33.598 74.185 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.566 32.491 70.788 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.002 31.473 74.031 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.348 30.366 70.629 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.590 29.815 72.287 1.00 0.00 H new ATOM 633 N THR A 41 46.449 38.389 72.192 1.00 0.00 N ATOM 634 CA THR A 41 47.116 39.707 71.942 1.00 0.00 C ATOM 635 C THR A 41 46.806 40.656 73.176 1.00 0.00 C ATOM 636 O THR A 41 45.813 41.379 73.142 1.00 0.00 O ATOM 637 CB THR A 41 46.760 40.416 70.612 1.00 0.00 C ATOM 638 OG1 THR A 41 47.253 41.758 70.529 1.00 0.00 O ATOM 639 CG2 THR A 41 47.250 39.675 69.361 1.00 0.00 C ATOM 0 H THR A 41 45.457 38.461 72.419 1.00 0.00 H new ATOM 0 HA THR A 41 48.179 39.492 71.838 1.00 0.00 H new ATOM 0 HB THR A 41 45.670 40.420 70.630 1.00 0.00 H new ATOM 0 HG1 THR A 41 46.997 42.148 69.667 1.00 0.00 H new ATOM 0 HG21 THR A 41 46.962 40.234 68.471 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.335 39.581 69.395 1.00 0.00 H new ATOM 0 HG23 THR A 41 46.801 38.682 69.327 1.00 0.00 H new ATOM 647 N PRO A 42 47.740 40.740 74.223 1.00 0.00 N ATOM 648 CA PRO A 42 47.447 41.540 75.450 1.00 0.00 C ATOM 649 C PRO A 42 48.341 42.840 75.445 1.00 0.00 C ATOM 650 O PRO A 42 49.348 42.914 76.148 1.00 0.00 O ATOM 651 CB PRO A 42 47.757 40.568 76.606 1.00 0.00 C ATOM 652 CG PRO A 42 48.932 39.751 76.053 1.00 0.00 C ATOM 653 CD PRO A 42 48.501 39.541 74.599 1.00 0.00 C ATOM 0 HA PRO A 42 46.422 41.904 75.530 1.00 0.00 H new ATOM 0 HB2 PRO A 42 48.027 41.098 77.520 1.00 0.00 H new ATOM 0 HB3 PRO A 42 46.901 39.936 76.845 1.00 0.00 H new ATOM 0 HG2 PRO A 42 49.877 40.290 76.127 1.00 0.00 H new ATOM 0 HG3 PRO A 42 49.061 38.807 76.583 1.00 0.00 H new ATOM 0 HD2 PRO A 42 49.367 39.410 73.951 1.00 0.00 H new ATOM 0 HD3 PRO A 42 47.890 38.644 74.499 1.00 0.00 H new ATOM 661 N ARG A 43 47.932 43.911 74.657 1.00 0.00 N ATOM 662 CA ARG A 43 48.702 45.164 74.661 1.00 0.00 C ATOM 663 C ARG A 43 47.765 46.371 74.253 1.00 0.00 C ATOM 664 O ARG A 43 46.755 46.181 73.578 1.00 0.00 O ATOM 665 CB ARG A 43 50.021 45.175 73.810 1.00 0.00 C ATOM 666 CG ARG A 43 51.271 45.672 74.583 1.00 0.00 C ATOM 667 CD ARG A 43 52.589 45.714 73.761 1.00 0.00 C ATOM 668 NE ARG A 43 52.786 46.696 72.663 1.00 0.00 N ATOM 669 CZ ARG A 43 52.527 47.996 72.645 1.00 0.00 C ATOM 670 NH1 ARG A 43 51.965 48.603 73.649 1.00 0.00 N ATOM 671 NH2 ARG A 43 52.837 48.697 71.585 1.00 0.00 N ATOM 0 H ARG A 43 47.112 43.907 74.050 1.00 0.00 H new ATOM 0 HA ARG A 43 49.054 45.269 75.687 1.00 0.00 H new ATOM 0 HB2 ARG A 43 50.212 44.167 73.443 1.00 0.00 H new ATOM 0 HB3 ARG A 43 49.872 45.810 72.936 1.00 0.00 H new ATOM 0 HG2 ARG A 43 51.068 46.673 74.964 1.00 0.00 H new ATOM 0 HG3 ARG A 43 51.423 45.027 75.448 1.00 0.00 H new ATOM 0 HD2 ARG A 43 53.401 45.866 74.472 1.00 0.00 H new ATOM 0 HD3 ARG A 43 52.725 44.723 73.328 1.00 0.00 H new ATOM 0 HE ARG A 43 53.176 46.316 71.801 1.00 0.00 H new ATOM 0 HH11 ARG A 43 51.709 48.077 74.485 1.00 0.00 H new ATOM 0 HH12 ARG A 43 51.780 49.605 73.601 1.00 0.00 H new ATOM 0 HH21 ARG A 43 53.274 48.243 70.783 1.00 0.00 H new ATOM 0 HH22 ARG A 43 52.642 49.698 71.561 1.00 0.00 H new ATOM 685 N GLY A 44 48.116 47.644 74.701 1.00 0.00 N ATOM 686 CA GLY A 44 47.206 48.792 74.525 1.00 0.00 C ATOM 687 C GLY A 44 47.375 49.651 73.239 1.00 0.00 C ATOM 688 O GLY A 44 46.391 50.273 72.839 1.00 0.00 O ATOM 0 H GLY A 44 48.996 47.866 75.166 1.00 0.00 H new ATOM 0 HA2 GLY A 44 46.183 48.417 74.547 1.00 0.00 H new ATOM 0 HA3 GLY A 44 47.323 49.449 75.387 1.00 0.00 H new ATOM 692 N ASP A 45 48.601 49.741 72.611 1.00 0.00 N ATOM 693 CA ASP A 45 48.847 50.557 71.399 1.00 0.00 C ATOM 694 C ASP A 45 49.258 49.600 70.222 1.00 0.00 C ATOM 695 O ASP A 45 50.092 49.909 69.375 1.00 0.00 O ATOM 696 CB ASP A 45 49.785 51.749 71.673 1.00 0.00 C ATOM 697 CG ASP A 45 51.158 51.383 72.279 1.00 0.00 C ATOM 698 OD1 ASP A 45 51.157 51.150 73.493 1.00 0.00 O ATOM 699 OD2 ASP A 45 52.100 51.285 71.488 1.00 0.00 O ATOM 0 H ASP A 45 49.430 49.247 72.942 1.00 0.00 H new ATOM 0 HA ASP A 45 47.934 51.058 71.079 1.00 0.00 H new ATOM 0 HB2 ASP A 45 49.950 52.283 70.737 1.00 0.00 H new ATOM 0 HB3 ASP A 45 49.280 52.439 72.349 1.00 0.00 H new ATOM 704 N MET A 46 48.549 48.414 70.165 1.00 0.00 N ATOM 705 CA MET A 46 48.774 47.338 69.194 1.00 0.00 C ATOM 706 C MET A 46 47.323 46.753 68.981 1.00 0.00 C ATOM 707 O MET A 46 46.851 45.947 69.783 1.00 0.00 O ATOM 708 CB MET A 46 49.759 46.291 69.735 1.00 0.00 C ATOM 709 CG MET A 46 49.939 44.990 68.933 1.00 0.00 C ATOM 710 SD MET A 46 51.037 45.068 67.467 1.00 0.00 S ATOM 711 CE MET A 46 49.783 45.138 66.170 1.00 0.00 C ATOM 0 H MET A 46 47.795 48.202 70.819 1.00 0.00 H new ATOM 0 HA MET A 46 49.230 47.675 68.263 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.736 46.766 69.825 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.441 46.022 70.742 1.00 0.00 H new ATOM 0 HG2 MET A 46 50.326 44.226 69.607 1.00 0.00 H new ATOM 0 HG3 MET A 46 48.955 44.655 68.603 1.00 0.00 H new ATOM 0 HE1 MET A 46 50.269 45.190 65.196 1.00 0.00 H new ATOM 0 HE2 MET A 46 49.160 44.245 66.217 1.00 0.00 H new ATOM 0 HE3 MET A 46 49.161 46.022 66.312 1.00 0.00 H new ATOM 721 N PRO A 47 46.606 47.151 67.848 1.00 0.00 N ATOM 722 CA PRO A 47 45.175 46.812 67.713 1.00 0.00 C ATOM 723 C PRO A 47 45.074 45.523 66.825 1.00 0.00 C ATOM 724 O PRO A 47 45.244 45.541 65.607 1.00 0.00 O ATOM 725 CB PRO A 47 44.546 48.065 67.077 1.00 0.00 C ATOM 726 CG PRO A 47 45.672 48.634 66.196 1.00 0.00 C ATOM 727 CD PRO A 47 46.956 48.267 66.962 1.00 0.00 C ATOM 0 HA PRO A 47 44.656 46.580 68.643 1.00 0.00 H new ATOM 0 HB2 PRO A 47 43.664 47.814 66.487 1.00 0.00 H new ATOM 0 HB3 PRO A 47 44.230 48.782 67.834 1.00 0.00 H new ATOM 0 HG2 PRO A 47 45.661 48.194 65.199 1.00 0.00 H new ATOM 0 HG3 PRO A 47 45.575 49.712 66.070 1.00 0.00 H new ATOM 0 HD2 PRO A 47 47.751 47.981 66.273 1.00 0.00 H new ATOM 0 HD3 PRO A 47 47.322 49.118 67.536 1.00 0.00 H new ATOM 735 N GLY A 48 44.762 44.338 67.482 1.00 0.00 N ATOM 736 CA GLY A 48 44.596 43.078 66.742 1.00 0.00 C ATOM 737 C GLY A 48 43.123 42.847 66.267 1.00 0.00 C ATOM 738 O GLY A 48 42.185 43.371 66.866 1.00 0.00 O ATOM 0 H GLY A 48 44.630 44.259 68.490 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.257 43.081 65.875 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.904 42.246 67.375 1.00 0.00 H new ATOM 742 N PRO A 49 42.937 42.021 65.161 1.00 0.00 N ATOM 743 CA PRO A 49 41.583 41.564 64.775 1.00 0.00 C ATOM 744 C PRO A 49 40.884 40.964 66.032 1.00 0.00 C ATOM 745 O PRO A 49 41.481 40.404 66.953 1.00 0.00 O ATOM 746 CB PRO A 49 41.790 40.474 63.717 1.00 0.00 C ATOM 747 CG PRO A 49 43.171 39.956 64.088 1.00 0.00 C ATOM 748 CD PRO A 49 43.922 41.244 64.417 1.00 0.00 C ATOM 0 HA PRO A 49 40.965 42.374 64.387 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.030 39.695 63.775 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.760 40.874 62.703 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.136 39.277 64.940 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.636 39.412 63.266 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.815 41.049 65.012 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.247 41.763 63.515 1.00 0.00 H new ATOM 756 N TYR A 50 39.506 41.071 65.999 1.00 0.00 N ATOM 757 CA TYR A 50 38.711 40.579 67.128 1.00 0.00 C ATOM 758 C TYR A 50 38.583 39.024 67.076 1.00 0.00 C ATOM 759 O TYR A 50 38.578 38.421 66.004 1.00 0.00 O ATOM 760 CB TYR A 50 37.309 41.263 67.291 1.00 0.00 C ATOM 761 CG TYR A 50 36.285 40.798 66.285 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.476 39.697 66.558 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.085 41.464 65.080 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.482 39.286 65.686 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.105 41.061 64.185 1.00 0.00 C ATOM 766 CZ TYR A 50 34.268 39.983 64.490 1.00 0.00 C ATOM 767 OH TYR A 50 33.270 39.629 63.613 1.00 0.00 O ATOM 0 H TYR A 50 38.970 41.476 65.232 1.00 0.00 H new ATOM 0 HA TYR A 50 39.265 40.866 68.022 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.934 41.066 68.295 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.429 42.343 67.201 1.00 0.00 H new ATOM 0 HD1 TYR A 50 35.629 39.149 67.476 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.706 42.313 64.836 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.872 38.428 65.928 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.988 41.583 63.247 1.00 0.00 H new ATOM 0 HH TYR A 50 33.282 40.234 62.842 1.00 0.00 H new ATOM 777 N CYS A 51 38.461 38.367 68.296 1.00 0.00 N ATOM 778 CA CYS A 51 38.637 36.905 68.349 1.00 0.00 C ATOM 779 C CYS A 51 37.412 36.071 68.832 1.00 0.00 C ATOM 780 O CYS A 51 36.516 36.530 69.533 1.00 0.00 O ATOM 781 CB CYS A 51 39.808 36.556 69.297 1.00 0.00 C ATOM 782 SG CYS A 51 41.269 37.613 69.037 1.00 0.00 S ATOM 0 H CYS A 51 38.254 38.817 69.187 1.00 0.00 H new ATOM 0 HA CYS A 51 38.811 36.633 67.308 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.474 36.654 70.330 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.089 35.513 69.150 1.00 0.00 H new ATOM 787 N CYS A 52 37.498 34.748 68.448 1.00 0.00 N ATOM 788 CA CYS A 52 36.636 33.674 68.922 1.00 0.00 C ATOM 789 C CYS A 52 37.512 32.546 69.571 1.00 0.00 C ATOM 790 O CYS A 52 38.682 32.372 69.226 1.00 0.00 O ATOM 791 CB CYS A 52 35.853 33.023 67.792 1.00 0.00 C ATOM 792 SG CYS A 52 34.343 32.248 68.434 1.00 0.00 S ATOM 0 H CYS A 52 38.198 34.423 67.781 1.00 0.00 H new ATOM 0 HA CYS A 52 35.943 34.120 69.635 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.595 33.771 67.042 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.471 32.274 67.297 1.00 0.00 H new ATOM 797 N GLU A 53 36.882 31.709 70.474 1.00 0.00 N ATOM 798 CA GLU A 53 37.567 30.512 70.974 1.00 0.00 C ATOM 799 C GLU A 53 36.555 29.327 70.931 1.00 0.00 C ATOM 800 O GLU A 53 36.391 28.587 71.900 1.00 0.00 O ATOM 801 CB GLU A 53 38.312 30.723 72.305 1.00 0.00 C ATOM 802 CG GLU A 53 37.518 31.226 73.526 1.00 0.00 C ATOM 803 CD GLU A 53 38.487 31.450 74.687 1.00 0.00 C ATOM 804 OE1 GLU A 53 39.251 32.388 74.798 1.00 0.00 O ATOM 805 OE2 GLU A 53 38.395 30.482 75.598 1.00 0.00 O ATOM 0 H GLU A 53 35.942 31.854 70.841 1.00 0.00 H new ATOM 0 HA GLU A 53 38.401 30.258 70.320 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.774 29.775 72.579 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.121 31.431 72.122 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.000 32.154 73.283 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.756 30.499 73.806 1.00 0.00 H new ATOM 813 N SER A 54 35.921 29.117 69.716 1.00 0.00 N ATOM 814 CA SER A 54 34.992 28.011 69.498 1.00 0.00 C ATOM 815 C SER A 54 35.136 27.442 68.047 1.00 0.00 C ATOM 816 O SER A 54 35.919 27.951 67.245 1.00 0.00 O ATOM 817 CB SER A 54 33.505 28.318 69.838 1.00 0.00 C ATOM 818 OG SER A 54 32.831 27.100 70.149 1.00 0.00 O ATOM 0 H SER A 54 36.057 29.712 68.899 1.00 0.00 H new ATOM 0 HA SER A 54 35.286 27.249 70.220 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.447 29.005 70.683 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.021 28.810 68.994 1.00 0.00 H new ATOM 0 HG SER A 54 31.894 27.290 70.365 1.00 0.00 H new ATOM 824 N ASP A 55 34.397 26.306 67.754 1.00 0.00 N ATOM 825 CA ASP A 55 34.469 25.728 66.406 1.00 0.00 C ATOM 826 C ASP A 55 33.824 26.773 65.416 1.00 0.00 C ATOM 827 O ASP A 55 32.700 27.243 65.582 1.00 0.00 O ATOM 828 CB ASP A 55 33.763 24.361 66.297 1.00 0.00 C ATOM 829 CG ASP A 55 33.847 23.817 64.852 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.984 23.790 64.360 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.786 23.486 64.318 1.00 0.00 O ATOM 0 H ASP A 55 33.787 25.817 68.409 1.00 0.00 H new ATOM 0 HA ASP A 55 35.512 25.535 66.156 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.224 23.652 66.985 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.719 24.461 66.593 1.00 0.00 H new ATOM 836 N LYS A 56 34.613 27.141 64.335 1.00 0.00 N ATOM 837 CA LYS A 56 34.226 28.022 63.240 1.00 0.00 C ATOM 838 C LYS A 56 34.120 29.513 63.754 1.00 0.00 C ATOM 839 O LYS A 56 35.061 30.294 63.648 1.00 0.00 O ATOM 840 CB LYS A 56 32.988 27.605 62.415 1.00 0.00 C ATOM 841 CG LYS A 56 32.954 26.127 61.973 1.00 0.00 C ATOM 842 CD LYS A 56 34.220 25.520 61.341 1.00 0.00 C ATOM 843 CE LYS A 56 33.990 24.066 60.921 1.00 0.00 C ATOM 844 NZ LYS A 56 33.910 23.193 62.181 1.00 0.00 N ATOM 0 H LYS A 56 35.568 26.799 64.233 1.00 0.00 H new ATOM 0 HA LYS A 56 35.033 27.930 62.514 1.00 0.00 H new ATOM 0 HB2 LYS A 56 32.094 27.811 63.004 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.936 28.234 61.526 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.698 25.526 62.846 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.139 26.014 61.258 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.514 26.109 60.472 1.00 0.00 H new ATOM 0 HD3 LYS A 56 35.044 25.569 62.053 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.069 23.981 60.344 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.802 23.726 60.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.924 22.189 61.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.723 23.397 62.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.028 23.401 62.692 1.00 0.00 H new ATOM 858 N CYS A 57 32.888 29.882 64.269 1.00 0.00 N ATOM 859 CA CYS A 57 32.435 31.198 64.721 1.00 0.00 C ATOM 860 C CYS A 57 31.969 32.041 63.474 1.00 0.00 C ATOM 861 O CYS A 57 32.331 33.208 63.323 1.00 0.00 O ATOM 862 CB CYS A 57 33.347 31.953 65.700 1.00 0.00 C ATOM 863 SG CYS A 57 34.031 30.848 66.970 1.00 0.00 S ATOM 0 H CYS A 57 32.149 29.187 64.374 1.00 0.00 H new ATOM 0 HA CYS A 57 31.580 31.019 65.373 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.162 32.423 65.149 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.783 32.753 66.179 1.00 0.00 H new ATOM 868 N ASN A 58 31.074 31.420 62.611 1.00 0.00 N ATOM 869 CA ASN A 58 30.423 32.053 61.459 1.00 0.00 C ATOM 870 C ASN A 58 31.520 32.666 60.527 1.00 0.00 C ATOM 871 O ASN A 58 31.463 33.857 60.220 1.00 0.00 O ATOM 872 CB ASN A 58 29.327 33.035 61.876 1.00 0.00 C ATOM 873 CG ASN A 58 28.165 32.280 62.511 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.402 31.587 61.864 1.00 0.00 O ATOM 875 ND2 ASN A 58 28.035 32.440 63.847 1.00 0.00 N ATOM 0 H ASN A 58 30.801 30.444 62.727 1.00 0.00 H new ATOM 0 HA ASN A 58 29.887 31.300 60.881 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.728 33.762 62.582 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.978 33.593 61.007 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.278 31.972 64.345 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.694 33.029 64.357 1.00 0.00 H new ATOM 882 N LEU A 59 32.473 31.793 60.031 1.00 0.00 N ATOM 883 CA LEU A 59 33.658 32.162 59.216 1.00 0.00 C ATOM 884 C LEU A 59 34.644 32.767 60.293 1.00 0.00 C ATOM 885 O LEU A 59 34.722 33.998 60.376 1.00 0.00 O ATOM 886 CB LEU A 59 33.426 33.012 57.950 1.00 0.00 C ATOM 887 CG LEU A 59 34.566 32.924 56.900 1.00 0.00 C ATOM 888 CD1 LEU A 59 34.331 33.870 55.715 1.00 0.00 C ATOM 889 CD2 LEU A 59 35.948 33.250 57.483 1.00 0.00 C ATOM 890 OXT LEU A 59 35.266 31.931 60.957 1.00 0.00 O ATOM 0 H LEU A 59 32.419 30.789 60.202 1.00 0.00 H new ATOM 0 HA LEU A 59 34.069 31.295 58.698 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.493 32.698 57.482 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.300 34.054 58.245 1.00 0.00 H new ATOM 0 HG LEU A 59 34.551 31.886 56.567 1.00 0.00 H new ATOM 0 HD11 LEU A 59 35.153 33.775 55.005 1.00 0.00 H new ATOM 0 HD12 LEU A 59 33.394 33.610 55.222 1.00 0.00 H new ATOM 0 HD13 LEU A 59 34.279 34.898 56.075 1.00 0.00 H new ATOM 0 HD21 LEU A 59 36.701 33.171 56.699 1.00 0.00 H new ATOM 0 HD22 LEU A 59 35.945 34.264 57.882 1.00 0.00 H new ATOM 0 HD23 LEU A 59 36.181 32.547 58.282 1.00 0.00 H new TER 902 LEU A 59