USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 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 6 HIS : no HE2:sc= 0.341 K(o=3.5,f=0.19!) USER MOD Set 1.2: A 10 LYS NZ :NH3+ 167:sc= 2.1 (180deg=0.349) USER MOD Set 1.3: A 13 THR OG1 : rot 140:sc= 1.08 USER MOD Single : A 1 ARG N :NH3+ -145:sc= 0.167! (180deg=-4.14!) USER MOD Single : A 4 TYR OH : rot 44:sc= 0.0489 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 9 THR OG1 : rot 180:sc= 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=-0.00718 X(o=-0.0072,f=-0.0072) USER MOD Single : A 21 SER OG : rot -134:sc= 0.51 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= 2.13 (180deg=1.55) USER MOD Single : A 25 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3.7!) USER MOD Single : A 28 THR OG1 : rot -89:sc= 0.399 USER MOD Single : A 31 ASN : amide:sc=-0.00707 X(o=-0.0071,f=-0.026) 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= 0.00149 USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.22! (180deg=-1.96!) USER MOD Single : A 58 ASN : amide:sc= -0.0864 X(o=-0.086,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.054 24.817 67.022 1.00 0.00 N ATOM 2 CA ARG A 1 39.773 24.327 66.345 1.00 0.00 C ATOM 3 C ARG A 1 39.809 24.837 64.866 1.00 0.00 C ATOM 4 O ARG A 1 40.795 25.425 64.427 1.00 0.00 O ATOM 5 CB ARG A 1 38.490 24.758 67.123 1.00 0.00 C ATOM 6 CG ARG A 1 37.559 23.591 67.551 1.00 0.00 C ATOM 7 CD ARG A 1 36.506 23.981 68.614 1.00 0.00 C ATOM 8 NE ARG A 1 36.966 24.405 69.967 1.00 0.00 N ATOM 9 CZ ARG A 1 38.207 24.342 70.414 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.897 23.236 70.325 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.747 25.398 70.958 1.00 0.00 N ATOM 0 H1 ARG A 1 41.381 24.103 67.704 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.789 24.972 66.303 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.864 25.710 67.520 1.00 0.00 H new ATOM 0 HA ARG A 1 39.727 23.238 66.350 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.791 25.308 68.014 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.920 25.448 66.500 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.045 23.208 66.669 1.00 0.00 H new ATOM 0 HG3 ARG A 1 38.170 22.777 67.942 1.00 0.00 H new ATOM 0 HD2 ARG A 1 35.907 24.793 68.201 1.00 0.00 H new ATOM 0 HD3 ARG A 1 35.840 23.128 68.745 1.00 0.00 H new ATOM 0 HE ARG A 1 36.260 24.776 70.603 1.00 0.00 H new ATOM 0 HH11 ARG A 1 38.478 22.406 69.906 1.00 0.00 H new ATOM 0 HH12 ARG A 1 39.855 23.203 70.675 1.00 0.00 H new ATOM 0 HH21 ARG A 1 38.211 26.262 71.035 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.705 25.359 71.306 1.00 0.00 H new ATOM 27 N ILE A 2 38.707 24.536 64.080 1.00 0.00 N ATOM 28 CA ILE A 2 38.661 24.965 62.669 1.00 0.00 C ATOM 29 C ILE A 2 38.124 26.445 62.649 1.00 0.00 C ATOM 30 O ILE A 2 37.018 26.748 63.100 1.00 0.00 O ATOM 31 CB ILE A 2 37.751 24.145 61.710 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.094 22.640 61.540 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.738 24.763 60.283 1.00 0.00 C ATOM 34 CD1 ILE A 2 38.174 21.742 62.786 1.00 0.00 C ATOM 0 H ILE A 2 37.887 24.022 64.402 1.00 0.00 H new ATOM 0 HA ILE A 2 39.676 24.826 62.298 1.00 0.00 H new ATOM 0 HB ILE A 2 36.783 24.199 62.208 1.00 0.00 H new ATOM 0 HG12 ILE A 2 37.349 22.208 60.872 1.00 0.00 H new ATOM 0 HG13 ILE A 2 39.055 22.578 61.029 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.094 24.169 59.635 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.360 25.784 60.332 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.751 24.770 59.880 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.423 20.724 62.486 1.00 0.00 H new ATOM 0 HD12 ILE A 2 38.944 22.121 63.458 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.212 21.744 63.298 1.00 0.00 H new ATOM 46 N CYS A 3 38.957 27.390 62.060 1.00 0.00 N ATOM 47 CA CYS A 3 38.437 28.695 61.642 1.00 0.00 C ATOM 48 C CYS A 3 38.836 28.905 60.137 1.00 0.00 C ATOM 49 O CYS A 3 39.711 28.234 59.596 1.00 0.00 O ATOM 50 CB CYS A 3 38.832 29.944 62.458 1.00 0.00 C ATOM 51 SG CYS A 3 38.411 30.037 64.239 1.00 0.00 S ATOM 0 H CYS A 3 39.952 27.250 61.883 1.00 0.00 H new ATOM 0 HA CYS A 3 37.364 28.630 61.821 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.912 30.060 62.373 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.379 30.808 61.971 1.00 0.00 H new ATOM 56 N TYR A 4 38.132 29.865 59.437 1.00 0.00 N ATOM 57 CA TYR A 4 38.277 29.972 57.984 1.00 0.00 C ATOM 58 C TYR A 4 39.601 30.642 57.498 1.00 0.00 C ATOM 59 O TYR A 4 40.258 31.356 58.248 1.00 0.00 O ATOM 60 CB TYR A 4 37.162 30.896 57.454 1.00 0.00 C ATOM 61 CG TYR A 4 35.770 30.575 57.955 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.335 31.064 59.185 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.865 29.837 57.202 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.048 30.854 59.642 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.565 29.627 57.635 1.00 0.00 C ATOM 66 CZ TYR A 4 33.120 30.176 58.844 1.00 0.00 C ATOM 67 OH TYR A 4 31.806 30.029 59.208 1.00 0.00 O ATOM 0 H TYR A 4 37.491 30.537 59.858 1.00 0.00 H new ATOM 0 HA TYR A 4 38.249 28.945 57.621 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.402 31.923 57.728 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.159 30.849 56.365 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.024 31.624 59.800 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.181 29.418 56.258 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.758 31.214 60.618 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.890 29.035 57.035 1.00 0.00 H new ATOM 0 HH TYR A 4 31.465 30.881 59.552 1.00 0.00 H new ATOM 77 N ASN A 5 39.915 30.471 56.153 1.00 0.00 N ATOM 78 CA ASN A 5 41.004 31.264 55.559 1.00 0.00 C ATOM 79 C ASN A 5 40.646 31.672 54.090 1.00 0.00 C ATOM 80 O ASN A 5 41.541 32.033 53.330 1.00 0.00 O ATOM 81 CB ASN A 5 42.429 30.671 55.683 1.00 0.00 C ATOM 82 CG ASN A 5 42.672 29.414 54.865 1.00 0.00 C ATOM 83 OD1 ASN A 5 41.807 28.773 54.297 1.00 0.00 O ATOM 84 ND2 ASN A 5 43.976 29.055 54.810 1.00 0.00 N ATOM 0 H ASN A 5 39.445 29.825 55.518 1.00 0.00 H new ATOM 0 HA ASN A 5 41.069 32.161 56.175 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.150 31.430 55.379 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.624 30.448 56.732 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.255 28.228 54.282 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.679 29.612 55.296 1.00 0.00 H new ATOM 91 N HIS A 6 39.305 31.704 53.722 1.00 0.00 N ATOM 92 CA HIS A 6 38.785 31.983 52.393 1.00 0.00 C ATOM 93 C HIS A 6 39.094 33.429 51.872 1.00 0.00 C ATOM 94 O HIS A 6 39.640 34.275 52.574 1.00 0.00 O ATOM 95 CB HIS A 6 39.000 30.834 51.333 1.00 0.00 C ATOM 96 CG HIS A 6 40.429 30.663 50.896 1.00 0.00 C ATOM 97 ND1 HIS A 6 41.195 31.650 50.245 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.312 29.652 51.134 1.00 0.00 C ATOM 99 CE1 HIS A 6 42.468 31.281 50.130 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.548 30.047 50.654 1.00 0.00 N ATOM 0 H HIS A 6 38.562 31.524 54.397 1.00 0.00 H new ATOM 0 HA HIS A 6 37.704 31.979 52.534 1.00 0.00 H new ATOM 0 HB2 HIS A 6 38.645 29.894 51.755 1.00 0.00 H new ATOM 0 HB3 HIS A 6 38.386 31.042 50.457 1.00 0.00 H new ATOM 0 HD1 HIS A 6 40.821 32.536 49.905 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.087 28.710 51.612 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.275 31.858 49.702 1.00 0.00 H new ATOM 109 N LEU A 7 38.610 33.689 50.605 1.00 0.00 N ATOM 110 CA LEU A 7 38.698 34.968 49.915 1.00 0.00 C ATOM 111 C LEU A 7 40.117 35.289 49.350 1.00 0.00 C ATOM 112 O LEU A 7 40.998 34.435 49.252 1.00 0.00 O ATOM 113 CB LEU A 7 38.009 36.120 50.674 1.00 0.00 C ATOM 114 CG LEU A 7 36.526 35.876 51.039 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.962 37.126 51.726 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.688 35.529 49.796 1.00 0.00 C ATOM 0 H LEU A 7 38.141 32.974 50.048 1.00 0.00 H new ATOM 0 HA LEU A 7 38.097 34.857 49.012 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.565 36.313 51.591 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.073 37.023 50.067 1.00 0.00 H new ATOM 0 HG LEU A 7 36.473 35.025 51.718 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.917 36.958 51.985 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.532 37.332 52.632 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.036 37.978 51.050 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.652 35.364 50.090 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.736 36.352 49.083 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.082 34.624 49.333 1.00 0.00 H new ATOM 128 N GLY A 8 40.244 36.571 48.846 1.00 0.00 N ATOM 129 CA GLY A 8 41.378 36.951 48.013 1.00 0.00 C ATOM 130 C GLY A 8 41.112 36.301 46.619 1.00 0.00 C ATOM 131 O GLY A 8 40.171 36.646 45.906 1.00 0.00 O ATOM 0 H GLY A 8 39.573 37.321 49.016 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.458 38.035 47.931 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.315 36.593 48.440 1.00 0.00 H new ATOM 135 N THR A 9 41.984 35.299 46.237 1.00 0.00 N ATOM 136 CA THR A 9 41.841 34.622 44.941 1.00 0.00 C ATOM 137 C THR A 9 40.769 33.502 45.023 1.00 0.00 C ATOM 138 O THR A 9 39.974 33.356 44.096 1.00 0.00 O ATOM 139 CB THR A 9 43.171 33.976 44.455 1.00 0.00 C ATOM 140 OG1 THR A 9 44.239 34.921 44.340 1.00 0.00 O ATOM 141 CG2 THR A 9 43.054 33.168 43.152 1.00 0.00 C ATOM 0 H THR A 9 42.763 34.968 46.807 1.00 0.00 H new ATOM 0 HA THR A 9 41.543 35.393 44.230 1.00 0.00 H new ATOM 0 HB THR A 9 43.408 33.267 45.248 1.00 0.00 H new ATOM 0 HG1 THR A 9 45.049 34.463 44.034 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.029 32.756 42.891 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.341 32.355 43.291 1.00 0.00 H new ATOM 0 HG23 THR A 9 42.709 33.820 42.349 1.00 0.00 H new ATOM 149 N LYS A 10 40.788 32.668 46.133 1.00 0.00 N ATOM 150 CA LYS A 10 39.949 31.457 46.169 1.00 0.00 C ATOM 151 C LYS A 10 38.599 31.651 46.963 1.00 0.00 C ATOM 152 O LYS A 10 38.581 32.170 48.075 1.00 0.00 O ATOM 153 CB LYS A 10 40.604 30.190 46.809 1.00 0.00 C ATOM 154 CG LYS A 10 40.023 28.870 46.248 1.00 0.00 C ATOM 155 CD LYS A 10 40.352 27.609 47.072 1.00 0.00 C ATOM 156 CE LYS A 10 39.288 26.514 46.895 1.00 0.00 C ATOM 157 NZ LYS A 10 38.068 26.849 47.780 1.00 0.00 N ATOM 0 H LYS A 10 41.356 32.824 46.965 1.00 0.00 H new ATOM 0 HA LYS A 10 39.789 31.296 45.103 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.679 30.213 46.632 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.458 30.217 47.889 1.00 0.00 H new ATOM 0 HG2 LYS A 10 38.940 28.968 46.179 1.00 0.00 H new ATOM 0 HG3 LYS A 10 40.395 28.729 45.233 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.325 27.222 46.770 1.00 0.00 H new ATOM 0 HD3 LYS A 10 40.428 27.874 48.127 1.00 0.00 H new ATOM 0 HE2 LYS A 10 38.987 26.447 45.849 1.00 0.00 H new ATOM 0 HE3 LYS A 10 39.698 25.543 47.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 37.265 26.247 47.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 38.306 26.678 48.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 37.810 27.848 47.652 1.00 0.00 H new ATOM 171 N PRO A 11 37.461 31.033 46.426 1.00 0.00 N ATOM 172 CA PRO A 11 36.218 30.897 47.202 1.00 0.00 C ATOM 173 C PRO A 11 36.358 29.993 48.476 1.00 0.00 C ATOM 174 O PRO A 11 37.369 29.312 48.653 1.00 0.00 O ATOM 175 CB PRO A 11 35.259 30.276 46.175 1.00 0.00 C ATOM 176 CG PRO A 11 35.601 31.131 44.951 1.00 0.00 C ATOM 177 CD PRO A 11 37.129 31.090 44.995 1.00 0.00 C ATOM 0 HA PRO A 11 35.886 31.850 47.614 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.452 29.216 46.011 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.214 30.368 46.470 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.202 30.710 44.028 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.212 32.146 45.033 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.517 30.221 44.464 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.562 31.972 44.523 1.00 0.00 H new ATOM 185 N PRO A 12 35.294 30.024 49.371 1.00 0.00 N ATOM 186 CA PRO A 12 35.233 29.301 50.675 1.00 0.00 C ATOM 187 C PRO A 12 35.991 27.928 50.728 1.00 0.00 C ATOM 188 O PRO A 12 35.892 27.036 49.891 1.00 0.00 O ATOM 189 CB PRO A 12 33.735 29.182 50.990 1.00 0.00 C ATOM 190 CG PRO A 12 33.255 30.560 50.511 1.00 0.00 C ATOM 191 CD PRO A 12 34.001 30.693 49.177 1.00 0.00 C ATOM 0 HA PRO A 12 35.775 29.862 51.436 1.00 0.00 H new ATOM 0 HB2 PRO A 12 33.259 28.363 50.450 1.00 0.00 H new ATOM 0 HB3 PRO A 12 33.543 29.019 52.051 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.173 30.596 50.382 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.519 31.353 51.210 1.00 0.00 H new ATOM 0 HD2 PRO A 12 33.439 30.229 48.367 1.00 0.00 H new ATOM 0 HD3 PRO A 12 34.139 31.741 48.909 1.00 0.00 H new ATOM 199 N THR A 13 36.786 27.830 51.860 1.00 0.00 N ATOM 200 CA THR A 13 37.666 26.736 52.285 1.00 0.00 C ATOM 201 C THR A 13 38.418 27.274 53.575 1.00 0.00 C ATOM 202 O THR A 13 38.551 28.478 53.811 1.00 0.00 O ATOM 203 CB THR A 13 38.708 26.136 51.284 1.00 0.00 C ATOM 204 OG1 THR A 13 39.089 27.021 50.232 1.00 0.00 O ATOM 205 CG2 THR A 13 38.241 24.817 50.645 1.00 0.00 C ATOM 0 H THR A 13 36.808 28.594 52.535 1.00 0.00 H new ATOM 0 HA THR A 13 37.007 25.880 52.428 1.00 0.00 H new ATOM 0 HB THR A 13 39.576 25.955 51.918 1.00 0.00 H new ATOM 0 HG1 THR A 13 40.051 26.937 50.067 1.00 0.00 H new ATOM 0 HG21 THR A 13 39.008 24.453 49.961 1.00 0.00 H new ATOM 0 HG22 THR A 13 38.069 24.076 51.425 1.00 0.00 H new ATOM 0 HG23 THR A 13 37.315 24.987 50.095 1.00 0.00 H new ATOM 213 N THR A 14 38.914 26.292 54.424 1.00 0.00 N ATOM 214 CA THR A 14 39.203 26.650 55.824 1.00 0.00 C ATOM 215 C THR A 14 40.526 26.072 56.403 1.00 0.00 C ATOM 216 O THR A 14 41.168 25.224 55.790 1.00 0.00 O ATOM 217 CB THR A 14 37.977 26.221 56.655 1.00 0.00 C ATOM 218 OG1 THR A 14 37.753 24.808 56.699 1.00 0.00 O ATOM 219 CG2 THR A 14 36.691 26.883 56.099 1.00 0.00 C ATOM 0 H THR A 14 39.102 25.324 54.164 1.00 0.00 H new ATOM 0 HA THR A 14 39.373 27.726 55.871 1.00 0.00 H new ATOM 0 HB THR A 14 38.201 26.551 57.670 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.961 24.619 57.245 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.834 26.571 56.696 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.790 27.967 56.146 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.543 26.577 55.063 1.00 0.00 H new ATOM 227 N GLU A 15 40.919 26.586 57.627 1.00 0.00 N ATOM 228 CA GLU A 15 42.210 26.247 58.251 1.00 0.00 C ATOM 229 C GLU A 15 41.919 25.376 59.520 1.00 0.00 C ATOM 230 O GLU A 15 41.477 25.853 60.566 1.00 0.00 O ATOM 231 CB GLU A 15 43.043 27.494 58.609 1.00 0.00 C ATOM 232 CG GLU A 15 44.491 27.165 59.024 1.00 0.00 C ATOM 233 CD GLU A 15 45.298 28.454 59.100 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.349 29.206 60.045 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.967 28.677 57.968 1.00 0.00 O ATOM 0 H GLU A 15 40.349 27.228 58.177 1.00 0.00 H new ATOM 0 HA GLU A 15 42.813 25.689 57.535 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.063 28.167 57.752 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.552 28.028 59.423 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.499 26.660 59.990 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.942 26.482 58.304 1.00 0.00 H new ATOM 243 N THR A 16 42.194 24.018 59.408 1.00 0.00 N ATOM 244 CA THR A 16 42.028 23.116 60.565 1.00 0.00 C ATOM 245 C THR A 16 43.302 23.328 61.444 1.00 0.00 C ATOM 246 O THR A 16 44.424 23.078 60.998 1.00 0.00 O ATOM 247 CB THR A 16 41.906 21.601 60.245 1.00 0.00 C ATOM 248 OG1 THR A 16 40.751 21.390 59.430 1.00 0.00 O ATOM 249 CG2 THR A 16 41.831 20.741 61.521 1.00 0.00 C ATOM 0 H THR A 16 42.517 23.564 58.554 1.00 0.00 H new ATOM 0 HA THR A 16 41.081 23.371 61.041 1.00 0.00 H new ATOM 0 HB THR A 16 42.803 21.290 59.710 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.667 20.436 59.222 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.747 19.689 61.247 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.734 20.890 62.114 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.960 21.034 62.107 1.00 0.00 H new ATOM 257 N CYS A 17 43.124 23.753 62.759 1.00 0.00 N ATOM 258 CA CYS A 17 44.305 24.098 63.547 1.00 0.00 C ATOM 259 C CYS A 17 44.122 23.767 65.056 1.00 0.00 C ATOM 260 O CYS A 17 43.051 23.878 65.650 1.00 0.00 O ATOM 261 CB CYS A 17 44.562 25.583 63.387 1.00 0.00 C ATOM 262 SG CYS A 17 46.179 26.213 63.897 1.00 0.00 S ATOM 0 H CYS A 17 42.227 23.849 63.235 1.00 0.00 H new ATOM 0 HA CYS A 17 45.147 23.507 63.185 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.418 25.838 62.337 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.799 26.119 63.952 1.00 0.00 H new ATOM 267 N GLN A 18 45.296 23.410 65.679 1.00 0.00 N ATOM 268 CA GLN A 18 45.403 23.049 67.089 1.00 0.00 C ATOM 269 C GLN A 18 45.892 24.268 67.951 1.00 0.00 C ATOM 270 O GLN A 18 45.959 24.127 69.171 1.00 0.00 O ATOM 271 CB GLN A 18 46.156 21.711 67.336 1.00 0.00 C ATOM 272 CG GLN A 18 45.235 20.460 67.329 1.00 0.00 C ATOM 273 CD GLN A 18 44.352 20.357 66.084 1.00 0.00 C ATOM 274 OE1 GLN A 18 43.204 20.761 66.044 1.00 0.00 O ATOM 275 NE2 GLN A 18 44.927 19.744 65.025 1.00 0.00 N ATOM 0 H GLN A 18 46.189 23.373 65.187 1.00 0.00 H new ATOM 0 HA GLN A 18 44.399 22.823 67.448 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.922 21.590 66.570 1.00 0.00 H new ATOM 0 HB3 GLN A 18 46.670 21.766 68.296 1.00 0.00 H new ATOM 0 HG2 GLN A 18 45.852 19.564 67.402 1.00 0.00 H new ATOM 0 HG3 GLN A 18 44.599 20.482 68.214 1.00 0.00 H new ATOM 0 HE21 GLN A 18 45.891 19.416 65.087 1.00 0.00 H new ATOM 0 HE22 GLN A 18 44.397 19.610 64.164 1.00 0.00 H new ATOM 284 N GLU A 19 46.224 25.494 67.353 1.00 0.00 N ATOM 285 CA GLU A 19 46.331 26.697 68.191 1.00 0.00 C ATOM 286 C GLU A 19 44.842 26.910 68.683 1.00 0.00 C ATOM 287 O GLU A 19 43.915 27.130 67.905 1.00 0.00 O ATOM 288 CB GLU A 19 46.861 27.959 67.469 1.00 0.00 C ATOM 289 CG GLU A 19 48.402 28.031 67.300 1.00 0.00 C ATOM 290 CD GLU A 19 49.074 28.517 68.584 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.988 29.640 69.043 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.811 27.565 69.151 1.00 0.00 O ATOM 0 H GLU A 19 46.404 25.633 66.359 1.00 0.00 H new ATOM 0 HA GLU A 19 47.065 26.553 68.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.401 28.012 66.482 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.532 28.839 68.022 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.788 27.047 67.034 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.650 28.704 66.479 1.00 0.00 H new ATOM 300 N ASP A 20 44.662 26.853 70.058 1.00 0.00 N ATOM 301 CA ASP A 20 43.420 26.855 70.841 1.00 0.00 C ATOM 302 C ASP A 20 42.572 28.177 70.777 1.00 0.00 C ATOM 303 O ASP A 20 41.613 28.316 71.543 1.00 0.00 O ATOM 304 CB ASP A 20 42.571 25.567 70.854 1.00 0.00 C ATOM 305 CG ASP A 20 41.688 25.243 69.629 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.155 26.191 69.047 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.542 24.039 69.380 1.00 0.00 O ATOM 0 H ASP A 20 45.474 26.801 70.674 1.00 0.00 H new ATOM 0 HA ASP A 20 43.852 26.847 71.842 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.249 24.727 71.003 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.920 25.610 71.727 1.00 0.00 H new ATOM 312 N SER A 21 42.963 29.196 69.940 1.00 0.00 N ATOM 313 CA SER A 21 42.239 30.448 69.798 1.00 0.00 C ATOM 314 C SER A 21 42.459 30.829 68.307 1.00 0.00 C ATOM 315 O SER A 21 43.572 30.819 67.774 1.00 0.00 O ATOM 316 CB SER A 21 42.698 31.599 70.721 1.00 0.00 C ATOM 317 OG SER A 21 42.076 32.860 70.496 1.00 0.00 O ATOM 0 H SER A 21 43.797 29.142 69.355 1.00 0.00 H new ATOM 0 HA SER A 21 41.199 30.305 70.091 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.516 31.305 71.755 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.775 31.721 70.609 1.00 0.00 H new ATOM 0 HG SER A 21 42.757 33.565 70.493 1.00 0.00 H new ATOM 323 N CYS A 22 41.323 31.152 67.593 1.00 0.00 N ATOM 324 CA CYS A 22 41.419 31.479 66.187 1.00 0.00 C ATOM 325 C CYS A 22 40.469 32.652 65.838 1.00 0.00 C ATOM 326 O CYS A 22 39.412 32.875 66.429 1.00 0.00 O ATOM 327 CB CYS A 22 41.312 30.218 65.292 1.00 0.00 C ATOM 328 SG CYS A 22 39.869 29.101 65.300 1.00 0.00 S ATOM 0 H CYS A 22 40.381 31.183 67.982 1.00 0.00 H new ATOM 0 HA CYS A 22 42.417 31.855 65.962 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.431 30.560 64.264 1.00 0.00 H new ATOM 0 HB3 CYS A 22 42.180 29.601 65.525 1.00 0.00 H new ATOM 333 N TYR A 23 40.959 33.462 64.830 1.00 0.00 N ATOM 334 CA TYR A 23 40.485 34.833 64.677 1.00 0.00 C ATOM 335 C TYR A 23 40.048 35.261 63.263 1.00 0.00 C ATOM 336 O TYR A 23 40.339 34.641 62.241 1.00 0.00 O ATOM 337 CB TYR A 23 41.641 35.798 65.116 1.00 0.00 C ATOM 338 CG TYR A 23 42.890 35.638 64.267 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.034 36.238 63.017 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.950 34.861 64.721 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.185 36.081 62.259 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.118 34.707 63.990 1.00 0.00 C ATOM 343 CZ TYR A 23 45.257 35.311 62.742 1.00 0.00 C ATOM 344 OH TYR A 23 46.375 35.181 61.976 1.00 0.00 O ATOM 0 H TYR A 23 41.659 33.172 64.147 1.00 0.00 H new ATOM 0 HA TYR A 23 39.587 34.887 65.292 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.293 36.829 65.052 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.890 35.610 66.160 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.227 36.842 62.628 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.861 34.361 65.674 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.258 36.554 61.291 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.927 34.114 64.391 1.00 0.00 H new ATOM 0 HH TYR A 23 47.029 34.621 62.444 1.00 0.00 H new ATOM 354 N LYS A 24 39.355 36.453 63.311 1.00 0.00 N ATOM 355 CA LYS A 24 38.800 37.165 62.166 1.00 0.00 C ATOM 356 C LYS A 24 39.717 38.414 61.922 1.00 0.00 C ATOM 357 O LYS A 24 39.995 39.233 62.796 1.00 0.00 O ATOM 358 CB LYS A 24 37.331 37.525 62.431 1.00 0.00 C ATOM 359 CG LYS A 24 36.423 36.291 62.701 1.00 0.00 C ATOM 360 CD LYS A 24 36.201 35.975 64.200 1.00 0.00 C ATOM 361 CE LYS A 24 35.913 34.502 64.480 1.00 0.00 C ATOM 362 NZ LYS A 24 34.623 34.078 63.779 1.00 0.00 N ATOM 0 H LYS A 24 39.178 36.936 64.192 1.00 0.00 H new ATOM 0 HA LYS A 24 38.790 36.555 61.263 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.280 38.197 63.288 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.940 38.072 61.573 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.454 36.458 62.230 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.865 35.418 62.220 1.00 0.00 H new ATOM 0 HD2 LYS A 24 37.086 36.276 64.761 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.370 36.575 64.570 1.00 0.00 H new ATOM 0 HE2 LYS A 24 36.744 33.888 64.132 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.823 34.338 65.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.565 33.040 63.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.805 34.460 64.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.620 34.445 62.806 1.00 0.00 H new ATOM 376 N ASN A 25 40.216 38.519 60.638 1.00 0.00 N ATOM 377 CA ASN A 25 41.264 39.458 60.205 1.00 0.00 C ATOM 378 C ASN A 25 40.729 40.104 58.872 1.00 0.00 C ATOM 379 O ASN A 25 40.444 39.387 57.915 1.00 0.00 O ATOM 380 CB ASN A 25 42.535 38.657 60.003 1.00 0.00 C ATOM 381 CG ASN A 25 43.703 39.532 59.659 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.502 39.940 60.479 1.00 0.00 O ATOM 383 ND2 ASN A 25 43.765 39.856 58.355 1.00 0.00 N ATOM 0 H ASN A 25 39.878 37.930 59.877 1.00 0.00 H new ATOM 0 HA ASN A 25 41.487 40.248 60.922 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.758 38.096 60.910 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.381 37.928 59.207 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.506 40.469 58.017 1.00 0.00 H new ATOM 0 HD22 ASN A 25 43.071 39.488 57.705 1.00 0.00 H new ATOM 390 N ILE A 26 40.635 41.500 58.801 1.00 0.00 N ATOM 391 CA ILE A 26 39.624 42.119 57.890 1.00 0.00 C ATOM 392 C ILE A 26 40.105 43.266 56.913 1.00 0.00 C ATOM 393 O ILE A 26 39.362 43.745 56.058 1.00 0.00 O ATOM 394 CB ILE A 26 38.442 42.601 58.765 1.00 0.00 C ATOM 395 CG1 ILE A 26 38.578 43.985 59.457 1.00 0.00 C ATOM 396 CG2 ILE A 26 38.021 41.525 59.799 1.00 0.00 C ATOM 397 CD1 ILE A 26 39.604 44.154 60.592 1.00 0.00 C ATOM 0 H ILE A 26 41.210 42.155 59.330 1.00 0.00 H new ATOM 0 HA ILE A 26 39.350 41.333 57.187 1.00 0.00 H new ATOM 0 HB ILE A 26 37.657 42.756 58.025 1.00 0.00 H new ATOM 0 HG12 ILE A 26 38.817 44.717 58.685 1.00 0.00 H new ATOM 0 HG13 ILE A 26 37.599 44.251 59.856 1.00 0.00 H new ATOM 0 HG21 ILE A 26 37.189 41.899 60.395 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.715 40.619 59.277 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.863 41.300 60.453 1.00 0.00 H new ATOM 0 HD11 ILE A 26 39.570 45.178 60.964 1.00 0.00 H new ATOM 0 HD12 ILE A 26 39.366 43.465 61.403 1.00 0.00 H new ATOM 0 HD13 ILE A 26 40.603 43.938 60.214 1.00 0.00 H new ATOM 409 N TRP A 27 41.398 43.673 57.081 1.00 0.00 N ATOM 410 CA TRP A 27 42.295 44.647 56.449 1.00 0.00 C ATOM 411 C TRP A 27 43.157 43.853 55.394 1.00 0.00 C ATOM 412 O TRP A 27 42.786 43.764 54.229 1.00 0.00 O ATOM 413 CB TRP A 27 43.182 45.315 57.567 1.00 0.00 C ATOM 414 CG TRP A 27 43.466 44.415 58.749 1.00 0.00 C ATOM 415 CD1 TRP A 27 43.440 42.995 58.747 1.00 0.00 C ATOM 416 CD2 TRP A 27 43.588 44.735 60.097 1.00 0.00 C ATOM 417 NE1 TRP A 27 43.419 42.462 59.994 1.00 0.00 N ATOM 418 CE2 TRP A 27 43.550 43.549 60.835 1.00 0.00 C ATOM 419 CE3 TRP A 27 43.601 45.957 60.812 1.00 0.00 C ATOM 420 CZ2 TRP A 27 43.540 43.467 62.186 1.00 0.00 C ATOM 421 CZ3 TRP A 27 43.586 45.917 62.197 1.00 0.00 C ATOM 422 CH2 TRP A 27 43.564 44.683 62.880 1.00 0.00 C ATOM 0 H TRP A 27 41.923 43.214 57.825 1.00 0.00 H new ATOM 0 HA TRP A 27 41.758 45.448 55.941 1.00 0.00 H new ATOM 0 HB2 TRP A 27 44.129 45.628 57.126 1.00 0.00 H new ATOM 0 HB3 TRP A 27 42.682 46.216 57.922 1.00 0.00 H new ATOM 0 HD1 TRP A 27 43.437 42.401 57.845 1.00 0.00 H new ATOM 0 HE1 TRP A 27 43.327 41.480 60.252 1.00 0.00 H new ATOM 0 HE3 TRP A 27 43.622 46.901 60.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 43.515 42.517 62.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 43.591 46.839 62.759 1.00 0.00 H new ATOM 0 HH2 TRP A 27 43.566 44.676 63.960 1.00 0.00 H new ATOM 433 N THR A 28 44.344 43.283 55.840 1.00 0.00 N ATOM 434 CA THR A 28 45.290 42.455 55.064 1.00 0.00 C ATOM 435 C THR A 28 46.275 43.417 54.344 1.00 0.00 C ATOM 436 O THR A 28 47.463 43.423 54.652 1.00 0.00 O ATOM 437 CB THR A 28 44.728 41.400 54.085 1.00 0.00 C ATOM 438 OG1 THR A 28 45.741 40.717 53.343 1.00 0.00 O ATOM 439 CG2 THR A 28 43.795 40.380 54.751 1.00 0.00 C ATOM 0 H THR A 28 44.658 43.411 56.802 1.00 0.00 H new ATOM 0 HA THR A 28 45.769 41.813 55.803 1.00 0.00 H new ATOM 0 HB THR A 28 44.135 41.987 53.384 1.00 0.00 H new ATOM 0 HG1 THR A 28 45.931 41.211 52.518 1.00 0.00 H new ATOM 0 HG21 THR A 28 43.439 39.671 54.004 1.00 0.00 H new ATOM 0 HG22 THR A 28 44.338 39.845 55.530 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.945 40.899 55.193 1.00 0.00 H new ATOM 447 N PHE A 29 45.714 44.217 53.365 1.00 0.00 N ATOM 448 CA PHE A 29 46.393 45.216 52.525 1.00 0.00 C ATOM 449 C PHE A 29 45.439 45.425 51.301 1.00 0.00 C ATOM 450 O PHE A 29 45.131 46.561 50.946 1.00 0.00 O ATOM 451 CB PHE A 29 47.833 44.949 52.049 1.00 0.00 C ATOM 452 CG PHE A 29 48.398 46.198 51.407 1.00 0.00 C ATOM 453 CD1 PHE A 29 48.756 47.299 52.197 1.00 0.00 C ATOM 454 CD2 PHE A 29 48.560 46.301 50.026 1.00 0.00 C ATOM 455 CE1 PHE A 29 49.215 48.485 51.625 1.00 0.00 C ATOM 456 CE2 PHE A 29 49.026 47.478 49.437 1.00 0.00 C ATOM 457 CZ PHE A 29 49.343 48.583 50.235 1.00 0.00 C ATOM 0 H PHE A 29 44.719 44.159 53.149 1.00 0.00 H new ATOM 0 HA PHE A 29 46.558 46.089 53.156 1.00 0.00 H new ATOM 0 HB2 PHE A 29 48.455 44.649 52.892 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.844 44.125 51.335 1.00 0.00 H new ATOM 0 HD1 PHE A 29 48.675 47.227 53.272 1.00 0.00 H new ATOM 0 HD2 PHE A 29 48.320 45.454 49.400 1.00 0.00 H new ATOM 0 HE1 PHE A 29 49.471 49.326 52.253 1.00 0.00 H new ATOM 0 HE2 PHE A 29 49.142 47.536 48.365 1.00 0.00 H new ATOM 0 HZ PHE A 29 49.683 49.503 49.782 1.00 0.00 H new ATOM 467 N ASP A 30 44.929 44.291 50.692 1.00 0.00 N ATOM 468 CA ASP A 30 43.945 44.259 49.614 1.00 0.00 C ATOM 469 C ASP A 30 42.497 44.668 50.081 1.00 0.00 C ATOM 470 O ASP A 30 41.691 44.996 49.209 1.00 0.00 O ATOM 471 CB ASP A 30 43.917 42.893 48.891 1.00 0.00 C ATOM 472 CG ASP A 30 43.803 41.596 49.746 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.363 41.614 50.849 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.211 40.652 49.210 1.00 0.00 O ATOM 0 H ASP A 30 45.224 43.356 50.973 1.00 0.00 H new ATOM 0 HA ASP A 30 44.276 45.015 48.902 1.00 0.00 H new ATOM 0 HB2 ASP A 30 43.078 42.905 48.195 1.00 0.00 H new ATOM 0 HB3 ASP A 30 44.826 42.816 48.294 1.00 0.00 H new ATOM 479 N ASN A 31 42.147 44.698 51.426 1.00 0.00 N ATOM 480 CA ASN A 31 40.851 45.121 51.993 1.00 0.00 C ATOM 481 C ASN A 31 39.871 43.922 51.829 1.00 0.00 C ATOM 482 O ASN A 31 39.062 43.874 50.904 1.00 0.00 O ATOM 483 CB ASN A 31 40.300 46.458 51.485 1.00 0.00 C ATOM 484 CG ASN A 31 41.290 47.579 51.781 1.00 0.00 C ATOM 485 OD1 ASN A 31 41.608 47.901 52.912 1.00 0.00 O ATOM 486 ND2 ASN A 31 41.777 48.205 50.688 1.00 0.00 N ATOM 0 H ASN A 31 42.805 44.412 52.151 1.00 0.00 H new ATOM 0 HA ASN A 31 40.994 45.358 53.047 1.00 0.00 H new ATOM 0 HB2 ASN A 31 40.115 46.400 50.412 1.00 0.00 H new ATOM 0 HB3 ASN A 31 39.344 46.671 51.963 1.00 0.00 H new ATOM 0 HD21 ASN A 31 42.435 48.977 50.793 1.00 0.00 H new ATOM 0 HD22 ASN A 31 41.486 47.906 49.757 1.00 0.00 H new ATOM 493 N ILE A 32 39.939 42.940 52.811 1.00 0.00 N ATOM 494 CA ILE A 32 39.126 41.737 52.680 1.00 0.00 C ATOM 495 C ILE A 32 39.194 40.867 53.981 1.00 0.00 C ATOM 496 O ILE A 32 40.109 41.017 54.792 1.00 0.00 O ATOM 497 CB ILE A 32 39.587 40.823 51.500 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.476 39.978 50.835 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.787 39.953 51.941 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.359 40.805 50.173 1.00 0.00 C ATOM 0 H ILE A 32 40.525 42.984 53.644 1.00 0.00 H new ATOM 0 HA ILE A 32 38.113 42.093 52.494 1.00 0.00 H new ATOM 0 HB ILE A 32 39.896 41.504 50.707 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.929 39.333 50.082 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.032 39.327 51.588 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.101 39.319 51.112 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.614 40.598 52.239 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.493 39.328 52.784 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.622 40.134 49.732 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.876 41.431 50.924 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.787 41.437 49.395 1.00 0.00 H new ATOM 512 N ILE A 33 38.222 39.885 54.134 1.00 0.00 N ATOM 513 CA ILE A 33 38.211 39.038 55.344 1.00 0.00 C ATOM 514 C ILE A 33 38.922 37.698 54.960 1.00 0.00 C ATOM 515 O ILE A 33 38.343 36.762 54.414 1.00 0.00 O ATOM 516 CB ILE A 33 36.877 38.833 56.075 1.00 0.00 C ATOM 517 CG1 ILE A 33 36.068 40.133 56.320 1.00 0.00 C ATOM 518 CG2 ILE A 33 37.164 38.157 57.434 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.403 40.783 55.091 1.00 0.00 C ATOM 0 H ILE A 33 37.484 39.687 53.459 1.00 0.00 H new ATOM 0 HA ILE A 33 38.747 39.586 56.119 1.00 0.00 H new ATOM 0 HB ILE A 33 36.259 38.214 55.424 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.290 39.915 57.051 1.00 0.00 H new ATOM 0 HG13 ILE A 33 36.735 40.867 56.773 1.00 0.00 H new ATOM 0 HG21 ILE A 33 36.227 38.003 57.969 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.649 37.195 57.267 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.819 38.795 58.027 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.870 41.682 55.399 1.00 0.00 H new ATOM 0 HD12 ILE A 33 36.168 41.047 54.360 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.700 40.080 54.643 1.00 0.00 H new ATOM 531 N ARG A 34 40.266 37.640 55.282 1.00 0.00 N ATOM 532 CA ARG A 34 41.150 36.516 54.959 1.00 0.00 C ATOM 533 C ARG A 34 42.020 36.374 56.242 1.00 0.00 C ATOM 534 O ARG A 34 42.808 37.228 56.641 1.00 0.00 O ATOM 535 CB ARG A 34 41.973 36.740 53.692 1.00 0.00 C ATOM 536 CG ARG A 34 42.888 35.572 53.285 1.00 0.00 C ATOM 537 CD ARG A 34 43.242 35.615 51.785 1.00 0.00 C ATOM 538 NE ARG A 34 44.089 36.700 51.246 1.00 0.00 N ATOM 539 CZ ARG A 34 44.403 37.827 51.858 1.00 0.00 C ATOM 540 NH1 ARG A 34 45.031 37.827 53.005 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.073 38.955 51.309 1.00 0.00 N ATOM 0 H ARG A 34 40.743 38.393 55.777 1.00 0.00 H new ATOM 0 HA ARG A 34 40.602 35.605 54.721 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.291 36.949 52.868 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.587 37.630 53.831 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.804 35.605 53.875 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.395 34.627 53.515 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.733 34.673 51.543 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.302 35.636 51.233 1.00 0.00 H new ATOM 0 HE ARG A 34 44.468 36.565 50.309 1.00 0.00 H new ATOM 0 HH11 ARG A 34 45.289 36.944 53.445 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.263 38.710 53.459 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.578 38.963 50.417 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.308 39.834 51.769 1.00 0.00 H new ATOM 555 N ARG A 35 41.801 35.182 56.912 1.00 0.00 N ATOM 556 CA ARG A 35 42.061 35.050 58.342 1.00 0.00 C ATOM 557 C ARG A 35 42.576 33.640 58.769 1.00 0.00 C ATOM 558 O ARG A 35 43.012 32.864 57.920 1.00 0.00 O ATOM 559 CB ARG A 35 40.734 35.494 59.008 1.00 0.00 C ATOM 560 CG ARG A 35 39.453 34.789 58.474 1.00 0.00 C ATOM 561 CD ARG A 35 38.172 34.890 59.311 1.00 0.00 C ATOM 562 NE ARG A 35 36.899 34.372 58.747 1.00 0.00 N ATOM 563 CZ ARG A 35 36.457 34.630 57.523 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.165 34.346 56.462 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.281 35.177 57.393 1.00 0.00 N ATOM 0 H ARG A 35 41.452 34.334 56.467 1.00 0.00 H new ATOM 0 HA ARG A 35 42.894 35.673 58.669 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.807 35.314 60.081 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.620 36.569 58.872 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.238 35.193 57.485 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.684 33.732 58.344 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.351 34.368 60.251 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.020 35.942 59.554 1.00 0.00 H new ATOM 0 HE ARG A 35 36.324 33.776 59.343 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.084 33.914 56.562 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.799 34.556 55.533 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.726 35.396 58.220 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.916 35.386 56.464 1.00 0.00 H new ATOM 579 N GLY A 36 42.620 33.366 60.135 1.00 0.00 N ATOM 580 CA GLY A 36 43.234 32.077 60.492 1.00 0.00 C ATOM 581 C GLY A 36 43.443 31.786 61.996 1.00 0.00 C ATOM 582 O GLY A 36 42.871 32.448 62.855 1.00 0.00 O ATOM 0 H GLY A 36 42.278 33.953 60.896 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.615 31.282 60.077 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.204 32.017 59.998 1.00 0.00 H new ATOM 586 N CYS A 37 44.281 30.718 62.293 1.00 0.00 N ATOM 587 CA CYS A 37 44.577 30.319 63.679 1.00 0.00 C ATOM 588 C CYS A 37 45.876 31.004 64.222 1.00 0.00 C ATOM 589 O CYS A 37 46.940 31.032 63.608 1.00 0.00 O ATOM 590 CB CYS A 37 44.719 28.783 63.909 1.00 0.00 C ATOM 591 SG CYS A 37 46.003 28.003 62.881 1.00 0.00 S ATOM 0 H CYS A 37 44.742 30.146 61.585 1.00 0.00 H new ATOM 0 HA CYS A 37 43.697 30.657 64.226 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.948 28.602 64.959 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.762 28.304 63.704 1.00 0.00 H new ATOM 596 N GLY A 38 45.730 31.620 65.458 1.00 0.00 N ATOM 597 CA GLY A 38 46.893 32.141 66.165 1.00 0.00 C ATOM 598 C GLY A 38 46.337 32.510 67.547 1.00 0.00 C ATOM 599 O GLY A 38 46.502 31.797 68.530 1.00 0.00 O ATOM 0 H GLY A 38 44.840 31.747 65.940 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.686 31.396 66.237 1.00 0.00 H new ATOM 0 HA3 GLY A 38 47.316 33.008 65.658 1.00 0.00 H new ATOM 603 N CYS A 39 45.609 33.691 67.574 1.00 0.00 N ATOM 604 CA CYS A 39 44.926 34.134 68.781 1.00 0.00 C ATOM 605 C CYS A 39 45.899 34.605 69.897 1.00 0.00 C ATOM 606 O CYS A 39 47.038 34.998 69.655 1.00 0.00 O ATOM 607 CB CYS A 39 43.877 35.214 68.451 1.00 0.00 C ATOM 608 SG CYS A 39 43.011 35.906 69.891 1.00 0.00 S ATOM 0 H CYS A 39 45.503 34.315 66.774 1.00 0.00 H new ATOM 0 HA CYS A 39 44.410 33.263 69.185 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.369 36.026 67.917 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.139 34.787 67.772 1.00 0.00 H new ATOM 613 N PHE A 40 45.357 34.562 71.170 1.00 0.00 N ATOM 614 CA PHE A 40 46.128 34.800 72.383 1.00 0.00 C ATOM 615 C PHE A 40 46.782 36.227 72.253 1.00 0.00 C ATOM 616 O PHE A 40 47.998 36.347 72.386 1.00 0.00 O ATOM 617 CB PHE A 40 47.122 33.650 72.683 1.00 0.00 C ATOM 618 CG PHE A 40 46.488 32.262 72.587 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.417 31.866 73.399 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.946 31.339 71.636 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.830 30.609 73.268 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.366 30.081 71.487 1.00 0.00 C ATOM 623 CZ PHE A 40 45.315 29.706 72.322 1.00 0.00 C ATOM 0 H PHE A 40 44.373 34.359 71.347 1.00 0.00 H new ATOM 0 HA PHE A 40 45.485 34.800 73.263 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.957 33.709 71.985 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.533 33.786 73.683 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.038 32.551 74.143 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.774 31.612 70.999 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.998 30.334 73.900 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.728 29.401 70.730 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.879 28.722 72.237 1.00 0.00 H new ATOM 633 N THR A 41 45.942 37.327 72.072 1.00 0.00 N ATOM 634 CA THR A 41 46.483 38.698 71.844 1.00 0.00 C ATOM 635 C THR A 41 45.874 39.673 72.928 1.00 0.00 C ATOM 636 O THR A 41 44.723 40.094 72.821 1.00 0.00 O ATOM 637 CB THR A 41 46.335 39.284 70.418 1.00 0.00 C ATOM 638 OG1 THR A 41 46.820 40.622 70.303 1.00 0.00 O ATOM 639 CG2 THR A 41 46.930 38.358 69.338 1.00 0.00 C ATOM 0 H THR A 41 44.923 37.273 72.083 1.00 0.00 H new ATOM 0 HA THR A 41 47.564 38.600 71.949 1.00 0.00 H new ATOM 0 HB THR A 41 45.262 39.339 70.235 1.00 0.00 H new ATOM 0 HG1 THR A 41 46.701 40.935 69.382 1.00 0.00 H new ATOM 0 HG21 THR A 41 46.801 38.814 68.356 1.00 0.00 H new ATOM 0 HG22 THR A 41 47.992 38.209 69.532 1.00 0.00 H new ATOM 0 HG23 THR A 41 46.418 37.396 69.361 1.00 0.00 H new ATOM 647 N PRO A 42 46.710 40.114 73.959 1.00 0.00 N ATOM 648 CA PRO A 42 46.238 41.068 74.988 1.00 0.00 C ATOM 649 C PRO A 42 46.524 42.497 74.385 1.00 0.00 C ATOM 650 O PRO A 42 47.656 42.980 74.385 1.00 0.00 O ATOM 651 CB PRO A 42 47.053 40.775 76.275 1.00 0.00 C ATOM 652 CG PRO A 42 47.687 39.400 76.001 1.00 0.00 C ATOM 653 CD PRO A 42 47.887 39.417 74.485 1.00 0.00 C ATOM 0 HA PRO A 42 45.181 40.993 75.243 1.00 0.00 H new ATOM 0 HB2 PRO A 42 47.812 41.538 76.451 1.00 0.00 H new ATOM 0 HB3 PRO A 42 46.413 40.752 77.157 1.00 0.00 H new ATOM 0 HG2 PRO A 42 48.631 39.276 76.532 1.00 0.00 H new ATOM 0 HG3 PRO A 42 47.035 38.584 76.314 1.00 0.00 H new ATOM 0 HD2 PRO A 42 48.807 39.934 74.213 1.00 0.00 H new ATOM 0 HD3 PRO A 42 47.960 38.406 74.084 1.00 0.00 H new ATOM 661 N ARG A 43 45.446 43.196 73.863 1.00 0.00 N ATOM 662 CA ARG A 43 45.579 44.541 73.271 1.00 0.00 C ATOM 663 C ARG A 43 44.537 45.556 73.854 1.00 0.00 C ATOM 664 O ARG A 43 43.491 45.181 74.377 1.00 0.00 O ATOM 665 CB ARG A 43 45.510 44.527 71.711 1.00 0.00 C ATOM 666 CG ARG A 43 44.387 43.737 70.984 1.00 0.00 C ATOM 667 CD ARG A 43 42.896 44.065 71.248 1.00 0.00 C ATOM 668 NE ARG A 43 42.254 45.353 70.882 1.00 0.00 N ATOM 669 CZ ARG A 43 42.372 46.129 69.810 1.00 0.00 C ATOM 670 NH1 ARG A 43 43.255 45.904 68.883 1.00 0.00 N ATOM 671 NH2 ARG A 43 41.547 47.141 69.673 1.00 0.00 N ATOM 0 H ARG A 43 44.493 42.832 73.852 1.00 0.00 H new ATOM 0 HA ARG A 43 46.576 44.881 73.552 1.00 0.00 H new ATOM 0 HB2 ARG A 43 45.441 45.564 71.382 1.00 0.00 H new ATOM 0 HB3 ARG A 43 46.463 44.141 71.349 1.00 0.00 H new ATOM 0 HG2 ARG A 43 44.556 43.850 69.913 1.00 0.00 H new ATOM 0 HG3 ARG A 43 44.531 42.683 71.220 1.00 0.00 H new ATOM 0 HD2 ARG A 43 42.320 43.285 70.751 1.00 0.00 H new ATOM 0 HD3 ARG A 43 42.742 43.941 72.320 1.00 0.00 H new ATOM 0 HE ARG A 43 41.603 45.707 71.582 1.00 0.00 H new ATOM 0 HH11 ARG A 43 43.888 45.108 68.964 1.00 0.00 H new ATOM 0 HH12 ARG A 43 43.315 46.523 68.074 1.00 0.00 H new ATOM 0 HH21 ARG A 43 40.835 47.318 70.381 1.00 0.00 H new ATOM 0 HH22 ARG A 43 41.618 47.751 68.858 1.00 0.00 H new ATOM 685 N GLY A 44 44.881 46.898 73.741 1.00 0.00 N ATOM 686 CA GLY A 44 43.975 47.992 74.146 1.00 0.00 C ATOM 687 C GLY A 44 43.424 48.559 72.828 1.00 0.00 C ATOM 688 O GLY A 44 42.303 48.251 72.427 1.00 0.00 O ATOM 0 H GLY A 44 45.777 47.219 73.373 1.00 0.00 H new ATOM 0 HA2 GLY A 44 43.172 47.624 74.784 1.00 0.00 H new ATOM 0 HA3 GLY A 44 44.507 48.756 74.713 1.00 0.00 H new ATOM 692 N ASP A 45 44.283 49.405 72.141 1.00 0.00 N ATOM 693 CA ASP A 45 44.000 49.739 70.746 1.00 0.00 C ATOM 694 C ASP A 45 45.391 49.748 70.038 1.00 0.00 C ATOM 695 O ASP A 45 45.882 50.747 69.524 1.00 0.00 O ATOM 696 CB ASP A 45 43.095 50.952 70.428 1.00 0.00 C ATOM 697 CG ASP A 45 42.593 50.798 68.956 1.00 0.00 C ATOM 698 OD1 ASP A 45 42.006 49.727 68.734 1.00 0.00 O ATOM 699 OD2 ASP A 45 42.855 51.715 68.180 1.00 0.00 O ATOM 0 H ASP A 45 45.123 49.831 72.532 1.00 0.00 H new ATOM 0 HA ASP A 45 43.326 48.981 70.348 1.00 0.00 H new ATOM 0 HB2 ASP A 45 42.252 50.991 71.117 1.00 0.00 H new ATOM 0 HB3 ASP A 45 43.648 51.884 70.548 1.00 0.00 H new ATOM 704 N MET A 46 46.013 48.509 70.038 1.00 0.00 N ATOM 705 CA MET A 46 47.224 48.196 69.257 1.00 0.00 C ATOM 706 C MET A 46 46.753 47.125 68.207 1.00 0.00 C ATOM 707 O MET A 46 46.215 46.082 68.583 1.00 0.00 O ATOM 708 CB MET A 46 48.427 47.643 70.051 1.00 0.00 C ATOM 709 CG MET A 46 49.599 47.171 69.150 1.00 0.00 C ATOM 710 SD MET A 46 51.189 47.136 70.018 1.00 0.00 S ATOM 711 CE MET A 46 52.273 46.903 68.588 1.00 0.00 C ATOM 0 H MET A 46 45.671 47.719 70.586 1.00 0.00 H new ATOM 0 HA MET A 46 47.608 49.125 68.835 1.00 0.00 H new ATOM 0 HB2 MET A 46 48.789 48.415 70.730 1.00 0.00 H new ATOM 0 HB3 MET A 46 48.093 46.808 70.666 1.00 0.00 H new ATOM 0 HG2 MET A 46 49.378 46.174 68.768 1.00 0.00 H new ATOM 0 HG3 MET A 46 49.677 47.833 68.288 1.00 0.00 H new ATOM 0 HE1 MET A 46 53.310 46.856 68.921 1.00 0.00 H new ATOM 0 HE2 MET A 46 52.012 45.974 68.081 1.00 0.00 H new ATOM 0 HE3 MET A 46 52.151 47.739 67.899 1.00 0.00 H new ATOM 721 N PRO A 47 46.953 47.391 66.853 1.00 0.00 N ATOM 722 CA PRO A 47 46.594 46.471 65.743 1.00 0.00 C ATOM 723 C PRO A 47 46.740 44.959 66.145 1.00 0.00 C ATOM 724 O PRO A 47 47.806 44.415 66.420 1.00 0.00 O ATOM 725 CB PRO A 47 47.538 46.899 64.617 1.00 0.00 C ATOM 726 CG PRO A 47 47.443 48.428 64.744 1.00 0.00 C ATOM 727 CD PRO A 47 47.479 48.633 66.269 1.00 0.00 C ATOM 0 HA PRO A 47 45.547 46.541 65.449 1.00 0.00 H new ATOM 0 HB2 PRO A 47 48.554 46.532 64.765 1.00 0.00 H new ATOM 0 HB3 PRO A 47 47.209 46.542 63.641 1.00 0.00 H new ATOM 0 HG2 PRO A 47 48.273 48.930 64.246 1.00 0.00 H new ATOM 0 HG3 PRO A 47 46.525 48.817 64.303 1.00 0.00 H new ATOM 0 HD2 PRO A 47 48.495 48.827 66.613 1.00 0.00 H new ATOM 0 HD3 PRO A 47 46.873 49.490 66.563 1.00 0.00 H new ATOM 735 N GLY A 48 45.537 44.268 66.166 1.00 0.00 N ATOM 736 CA GLY A 48 45.416 42.854 66.508 1.00 0.00 C ATOM 737 C GLY A 48 43.997 42.398 66.038 1.00 0.00 C ATOM 738 O GLY A 48 43.024 43.148 66.149 1.00 0.00 O ATOM 0 H GLY A 48 44.644 44.707 65.941 1.00 0.00 H new ATOM 0 HA2 GLY A 48 46.193 42.269 66.016 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.535 42.704 67.581 1.00 0.00 H new ATOM 742 N PRO A 49 43.885 41.132 65.493 1.00 0.00 N ATOM 743 CA PRO A 49 42.575 40.616 65.091 1.00 0.00 C ATOM 744 C PRO A 49 41.656 40.399 66.337 1.00 0.00 C ATOM 745 O PRO A 49 42.093 40.382 67.487 1.00 0.00 O ATOM 746 CB PRO A 49 42.910 39.263 64.447 1.00 0.00 C ATOM 747 CG PRO A 49 44.101 38.796 65.286 1.00 0.00 C ATOM 748 CD PRO A 49 44.908 40.089 65.410 1.00 0.00 C ATOM 0 HA PRO A 49 42.041 41.296 64.427 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.074 38.566 64.503 1.00 0.00 H new ATOM 0 HB3 PRO A 49 43.169 39.366 63.393 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.793 38.409 66.257 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.666 38.005 64.793 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.544 40.081 66.296 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.561 40.237 64.550 1.00 0.00 H new ATOM 756 N TYR A 50 40.317 40.211 66.041 1.00 0.00 N ATOM 757 CA TYR A 50 39.311 39.955 67.094 1.00 0.00 C ATOM 758 C TYR A 50 39.012 38.415 67.085 1.00 0.00 C ATOM 759 O TYR A 50 38.894 37.799 66.024 1.00 0.00 O ATOM 760 CB TYR A 50 37.996 40.813 67.022 1.00 0.00 C ATOM 761 CG TYR A 50 37.065 40.453 65.886 1.00 0.00 C ATOM 762 CD1 TYR A 50 37.166 41.049 64.631 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.035 39.535 66.081 1.00 0.00 C ATOM 764 CE1 TYR A 50 36.290 40.738 63.598 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.145 39.215 65.070 1.00 0.00 C ATOM 766 CZ TYR A 50 35.260 39.814 63.803 1.00 0.00 C ATOM 767 OH TYR A 50 34.375 39.454 62.828 1.00 0.00 O ATOM 0 H TYR A 50 39.936 40.235 65.095 1.00 0.00 H new ATOM 0 HA TYR A 50 39.741 40.281 68.041 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.457 40.705 67.963 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.269 41.864 66.930 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.947 41.774 64.456 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.928 39.061 67.046 1.00 0.00 H new ATOM 0 HE1 TYR A 50 36.405 41.211 62.634 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.357 38.500 65.256 1.00 0.00 H new ATOM 0 HH TYR A 50 33.742 38.797 63.187 1.00 0.00 H new ATOM 777 N CYS A 51 38.897 37.775 68.319 1.00 0.00 N ATOM 778 CA CYS A 51 38.981 36.306 68.374 1.00 0.00 C ATOM 779 C CYS A 51 37.850 35.549 69.125 1.00 0.00 C ATOM 780 O CYS A 51 37.108 36.078 69.947 1.00 0.00 O ATOM 781 CB CYS A 51 40.295 35.892 69.077 1.00 0.00 C ATOM 782 SG CYS A 51 41.702 36.996 68.736 1.00 0.00 S ATOM 0 H CYS A 51 38.756 38.243 69.214 1.00 0.00 H new ATOM 0 HA CYS A 51 38.905 36.023 67.324 1.00 0.00 H new ATOM 0 HB2 CYS A 51 40.124 35.861 70.153 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.557 34.881 68.766 1.00 0.00 H new ATOM 787 N CYS A 52 37.846 34.205 68.822 1.00 0.00 N ATOM 788 CA CYS A 52 37.004 33.209 69.460 1.00 0.00 C ATOM 789 C CYS A 52 37.868 31.980 69.893 1.00 0.00 C ATOM 790 O CYS A 52 38.969 31.761 69.386 1.00 0.00 O ATOM 791 CB CYS A 52 35.936 32.728 68.491 1.00 0.00 C ATOM 792 SG CYS A 52 34.437 32.137 69.319 1.00 0.00 S ATOM 0 H CYS A 52 38.454 33.808 68.106 1.00 0.00 H new ATOM 0 HA CYS A 52 36.535 33.663 70.333 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.674 33.542 67.816 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.345 31.925 67.878 1.00 0.00 H new ATOM 797 N GLU A 53 37.302 31.132 70.823 1.00 0.00 N ATOM 798 CA GLU A 53 37.953 29.854 71.168 1.00 0.00 C ATOM 799 C GLU A 53 36.924 28.693 70.973 1.00 0.00 C ATOM 800 O GLU A 53 36.924 27.694 71.690 1.00 0.00 O ATOM 801 CB GLU A 53 38.669 29.921 72.526 1.00 0.00 C ATOM 802 CG GLU A 53 37.796 30.168 73.770 1.00 0.00 C ATOM 803 CD GLU A 53 38.704 30.375 74.972 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.999 31.448 75.463 1.00 0.00 O ATOM 805 OE2 GLU A 53 39.174 29.218 75.436 1.00 0.00 O ATOM 0 H GLU A 53 36.430 31.318 71.319 1.00 0.00 H new ATOM 0 HA GLU A 53 38.775 29.637 70.486 1.00 0.00 H new ATOM 0 HB2 GLU A 53 39.207 28.984 72.671 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.416 30.713 72.475 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.163 31.043 73.620 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.132 29.320 73.940 1.00 0.00 H new ATOM 813 N SER A 54 36.084 28.830 69.880 1.00 0.00 N ATOM 814 CA SER A 54 35.017 27.901 69.502 1.00 0.00 C ATOM 815 C SER A 54 35.107 27.521 67.979 1.00 0.00 C ATOM 816 O SER A 54 36.075 27.838 67.290 1.00 0.00 O ATOM 817 CB SER A 54 33.587 28.393 69.901 1.00 0.00 C ATOM 818 OG SER A 54 32.784 27.274 70.268 1.00 0.00 O ATOM 0 H SER A 54 36.157 29.621 69.240 1.00 0.00 H new ATOM 0 HA SER A 54 35.182 26.995 70.085 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.651 29.096 70.732 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.128 28.925 69.068 1.00 0.00 H new ATOM 0 HG SER A 54 31.889 27.582 70.520 1.00 0.00 H new ATOM 824 N ASP A 55 34.053 26.769 67.497 1.00 0.00 N ATOM 825 CA ASP A 55 34.021 26.263 66.114 1.00 0.00 C ATOM 826 C ASP A 55 33.454 27.425 65.212 1.00 0.00 C ATOM 827 O ASP A 55 32.266 27.739 65.249 1.00 0.00 O ATOM 828 CB ASP A 55 33.154 24.988 66.007 1.00 0.00 C ATOM 829 CG ASP A 55 33.262 24.367 64.595 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.414 24.113 64.217 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.214 24.215 63.961 1.00 0.00 O ATOM 0 H ASP A 55 33.237 26.515 68.054 1.00 0.00 H new ATOM 0 HA ASP A 55 35.020 25.979 65.783 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.474 24.262 66.754 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.114 25.231 66.224 1.00 0.00 H new ATOM 836 N LYS A 56 34.358 28.100 64.389 1.00 0.00 N ATOM 837 CA LYS A 56 34.030 29.150 63.427 1.00 0.00 C ATOM 838 C LYS A 56 33.678 30.488 64.139 1.00 0.00 C ATOM 839 O LYS A 56 34.321 31.500 63.868 1.00 0.00 O ATOM 840 CB LYS A 56 32.999 28.822 62.323 1.00 0.00 C ATOM 841 CG LYS A 56 33.522 27.783 61.300 1.00 0.00 C ATOM 842 CD LYS A 56 33.293 26.364 61.823 1.00 0.00 C ATOM 843 CE LYS A 56 33.656 25.172 60.950 1.00 0.00 C ATOM 844 NZ LYS A 56 33.455 23.950 61.872 1.00 0.00 N ATOM 0 H LYS A 56 35.356 27.892 64.408 1.00 0.00 H new ATOM 0 HA LYS A 56 34.961 29.249 62.868 1.00 0.00 H new ATOM 0 HB2 LYS A 56 32.088 28.443 62.785 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.732 29.739 61.798 1.00 0.00 H new ATOM 0 HG2 LYS A 56 33.012 27.913 60.346 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.585 27.944 61.118 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.849 26.267 62.755 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.236 26.275 62.072 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.017 25.115 60.069 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.684 25.238 60.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.365 23.090 61.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.273 23.856 62.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.591 24.079 62.437 1.00 0.00 H new ATOM 858 N CYS A 57 32.608 30.492 65.001 1.00 0.00 N ATOM 859 CA CYS A 57 32.048 31.637 65.709 1.00 0.00 C ATOM 860 C CYS A 57 31.582 32.628 64.591 1.00 0.00 C ATOM 861 O CYS A 57 32.092 33.737 64.448 1.00 0.00 O ATOM 862 CB CYS A 57 32.882 32.277 66.835 1.00 0.00 C ATOM 863 SG CYS A 57 33.752 30.988 67.764 1.00 0.00 S ATOM 0 H CYS A 57 32.102 29.632 65.215 1.00 0.00 H new ATOM 0 HA CYS A 57 31.220 31.290 66.327 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.599 32.981 66.413 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.234 32.844 67.503 1.00 0.00 H new ATOM 868 N ASN A 58 30.547 32.141 63.806 1.00 0.00 N ATOM 869 CA ASN A 58 29.748 32.868 62.816 1.00 0.00 C ATOM 870 C ASN A 58 30.462 32.913 61.433 1.00 0.00 C ATOM 871 O ASN A 58 29.966 32.336 60.468 1.00 0.00 O ATOM 872 CB ASN A 58 29.249 34.254 63.274 1.00 0.00 C ATOM 873 CG ASN A 58 28.713 34.252 64.705 1.00 0.00 C ATOM 874 OD1 ASN A 58 29.307 34.754 65.642 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.508 33.660 64.867 1.00 0.00 N ATOM 0 H ASN A 58 30.255 31.166 63.876 1.00 0.00 H new ATOM 0 HA ASN A 58 28.832 32.288 62.702 1.00 0.00 H new ATOM 0 HB2 ASN A 58 30.066 34.971 63.199 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.464 34.593 62.598 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.076 33.627 65.790 1.00 0.00 H new ATOM 0 HD22 ASN A 58 27.031 33.247 64.066 1.00 0.00 H new ATOM 882 N LEU A 59 31.635 33.635 61.362 1.00 0.00 N ATOM 883 CA LEU A 59 32.402 33.820 60.121 1.00 0.00 C ATOM 884 C LEU A 59 33.892 34.361 60.492 1.00 0.00 C ATOM 885 O LEU A 59 34.536 33.668 61.286 1.00 0.00 O ATOM 886 CB LEU A 59 31.795 34.862 59.134 1.00 0.00 C ATOM 887 CG LEU A 59 30.465 34.842 58.342 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.371 36.211 57.634 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.384 33.702 57.313 1.00 0.00 C ATOM 890 OXT LEU A 59 34.280 35.401 59.947 1.00 0.00 O ATOM 0 H LEU A 59 32.054 34.093 62.171 1.00 0.00 H new ATOM 0 HA LEU A 59 32.397 32.845 59.633 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.755 35.788 59.708 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.563 34.993 58.371 1.00 0.00 H new ATOM 0 HG LEU A 59 29.636 34.666 59.027 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.449 36.259 57.055 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.374 37.007 58.379 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.224 36.335 56.967 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.426 33.747 56.794 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.193 33.806 56.590 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.475 32.743 57.824 1.00 0.00 H new TER 902 LEU A 59