USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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 Single : A 1 MET CE :methyl -167:sc= -0.219 (180deg=-0.308) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0481 (180deg=-0.633) USER MOD Single : A 2 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.034) USER MOD Single : A 6 LYS NZ :NH3+ -125:sc= -0.289 (180deg=-2.97!) USER MOD Single : A 7 THR OG1 : rot -74:sc= 0.297 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00276 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.694 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0.0685 (180deg=0.0399) USER MOD Single : A 31 GLN : amide:sc= -0.96 K(o=-0.96,f=-6!) USER MOD Single : A 33 LYS NZ :NH3+ -147:sc= -0.152 (180deg=-0.917) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 41 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.00948) USER MOD Single : A 49 GLN : amide:sc= -0.0905 K(o=-0.09,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -156:sc= 1.02 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.7! C(o=-1.7!,f=-8.1!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 114:sc= 0.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 50.350 -11.166 -0.398 1.00 0.00 N ATOM 2 CA MET A 1 51.693 -11.374 0.212 1.00 0.00 C ATOM 3 C MET A 1 52.364 -10.021 0.430 1.00 0.00 C ATOM 4 O MET A 1 52.373 -9.170 -0.459 1.00 0.00 O ATOM 5 CB MET A 1 52.546 -12.235 -0.723 1.00 0.00 C ATOM 6 CG MET A 1 51.741 -13.460 -1.164 1.00 0.00 C ATOM 7 SD MET A 1 52.843 -14.644 -1.975 1.00 0.00 S ATOM 8 CE MET A 1 52.257 -14.377 -3.667 1.00 0.00 C ATOM 0 H1 MET A 1 49.769 -12.017 -0.256 1.00 0.00 H new ATOM 0 H2 MET A 1 49.887 -10.351 0.052 1.00 0.00 H new ATOM 0 H3 MET A 1 50.456 -10.985 -1.417 1.00 0.00 H new ATOM 0 HA MET A 1 51.589 -11.881 1.171 1.00 0.00 H new ATOM 0 HB2 MET A 1 52.850 -11.654 -1.593 1.00 0.00 H new ATOM 0 HB3 MET A 1 53.458 -12.549 -0.215 1.00 0.00 H new ATOM 0 HG2 MET A 1 51.262 -13.924 -0.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.946 -13.160 -1.847 1.00 0.00 H new ATOM 0 HE1 MET A 1 52.637 -15.169 -4.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.167 -14.389 -3.681 1.00 0.00 H new ATOM 0 HE3 MET A 1 52.614 -13.412 -4.028 1.00 0.00 H new ATOM 20 N GLN A 2 52.926 -9.830 1.620 1.00 0.00 N ATOM 21 CA GLN A 2 53.598 -8.577 1.945 1.00 0.00 C ATOM 22 C GLN A 2 54.892 -8.845 2.705 1.00 0.00 C ATOM 23 O GLN A 2 55.042 -9.884 3.346 1.00 0.00 O ATOM 24 CB GLN A 2 52.678 -7.697 2.793 1.00 0.00 C ATOM 25 CG GLN A 2 52.309 -8.435 4.080 1.00 0.00 C ATOM 26 CD GLN A 2 50.793 -8.492 4.231 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.242 -9.536 4.583 1.00 0.00 O ATOM 28 NE2 GLN A 2 50.082 -7.428 3.982 1.00 0.00 N ATOM 0 H GLN A 2 52.930 -10.521 2.370 1.00 0.00 H new ATOM 0 HA GLN A 2 53.837 -8.062 1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 2 53.175 -6.756 3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 2 51.777 -7.449 2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 2 52.719 -9.445 4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 2 52.750 -7.928 4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 2 50.541 -6.565 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 2 49.067 -7.459 4.079 1.00 0.00 H new ATOM 37 N ILE A 3 55.824 -7.899 2.625 1.00 0.00 N ATOM 38 CA ILE A 3 57.106 -8.036 3.307 1.00 0.00 C ATOM 39 C ILE A 3 57.436 -6.771 4.092 1.00 0.00 C ATOM 40 O ILE A 3 56.912 -5.696 3.800 1.00 0.00 O ATOM 41 CB ILE A 3 58.212 -8.311 2.288 1.00 0.00 C ATOM 42 CG1 ILE A 3 58.129 -7.282 1.157 1.00 0.00 C ATOM 43 CG2 ILE A 3 58.036 -9.716 1.710 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.540 -6.918 0.701 1.00 0.00 C ATOM 0 H ILE A 3 55.716 -7.033 2.097 1.00 0.00 H new ATOM 0 HA ILE A 3 57.038 -8.872 4.003 1.00 0.00 H new ATOM 0 HB ILE A 3 59.183 -8.238 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.558 -7.688 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.604 -6.390 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.825 -9.912 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 3 58.093 -10.450 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 3 57.065 -9.789 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.485 -6.186 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.095 -6.495 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 3 60.049 -7.813 0.343 1.00 0.00 H new ATOM 56 N PHE A 4 58.307 -6.908 5.087 1.00 0.00 N ATOM 57 CA PHE A 4 58.702 -5.770 5.912 1.00 0.00 C ATOM 58 C PHE A 4 60.125 -5.334 5.580 1.00 0.00 C ATOM 59 O PHE A 4 60.994 -6.167 5.331 1.00 0.00 O ATOM 60 CB PHE A 4 58.617 -6.148 7.392 1.00 0.00 C ATOM 61 CG PHE A 4 57.167 -6.219 7.809 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.431 -5.042 7.987 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.559 -7.463 8.015 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.086 -5.108 8.370 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.214 -7.530 8.398 1.00 0.00 C ATOM 66 CZ PHE A 4 54.477 -6.353 8.576 1.00 0.00 C ATOM 0 H PHE A 4 58.751 -7.790 5.341 1.00 0.00 H new ATOM 0 HA PHE A 4 58.023 -4.942 5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.103 -7.109 7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.145 -5.412 7.998 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.901 -4.082 7.829 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.127 -8.371 7.878 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.518 -4.200 8.507 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.745 -8.490 8.556 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.440 -6.405 8.872 1.00 0.00 H new ATOM 76 N VAL A 5 60.351 -4.022 5.583 1.00 0.00 N ATOM 77 CA VAL A 5 61.672 -3.476 5.287 1.00 0.00 C ATOM 78 C VAL A 5 62.159 -2.604 6.440 1.00 0.00 C ATOM 79 O VAL A 5 61.459 -1.690 6.877 1.00 0.00 O ATOM 80 CB VAL A 5 61.620 -2.644 4.004 1.00 0.00 C ATOM 81 CG1 VAL A 5 62.984 -1.998 3.756 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.264 -3.549 2.823 1.00 0.00 C ATOM 0 H VAL A 5 59.639 -3.320 5.786 1.00 0.00 H new ATOM 0 HA VAL A 5 62.366 -4.306 5.153 1.00 0.00 H new ATOM 0 HB VAL A 5 60.864 -1.866 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.945 -1.406 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.239 -1.352 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.741 -2.775 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.227 -2.957 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.020 -4.328 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.291 -4.009 2.997 1.00 0.00 H new ATOM 92 N LYS A 6 63.361 -2.893 6.932 1.00 0.00 N ATOM 93 CA LYS A 6 63.932 -2.129 8.036 1.00 0.00 C ATOM 94 C LYS A 6 65.014 -1.181 7.532 1.00 0.00 C ATOM 95 O LYS A 6 65.819 -1.543 6.674 1.00 0.00 O ATOM 96 CB LYS A 6 64.528 -3.082 9.075 1.00 0.00 C ATOM 97 CG LYS A 6 65.101 -2.272 10.240 1.00 0.00 C ATOM 98 CD LYS A 6 64.560 -2.821 11.562 1.00 0.00 C ATOM 99 CE LYS A 6 63.071 -2.488 11.684 1.00 0.00 C ATOM 100 NZ LYS A 6 62.877 -1.467 12.752 1.00 0.00 N ATOM 0 H LYS A 6 63.955 -3.646 6.586 1.00 0.00 H new ATOM 0 HA LYS A 6 63.137 -1.540 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.762 -3.768 9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.311 -3.689 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 6 66.190 -2.324 10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.831 -1.221 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 6 64.707 -3.900 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 6 65.109 -2.390 12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 6 62.692 -2.112 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 6 62.504 -3.389 11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 62.191 -1.820 13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 63.785 -1.280 13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 62.519 -0.587 12.330 1.00 0.00 H new ATOM 114 N THR A 7 65.027 0.034 8.072 1.00 0.00 N ATOM 115 CA THR A 7 66.016 1.030 7.673 1.00 0.00 C ATOM 116 C THR A 7 67.085 1.185 8.750 1.00 0.00 C ATOM 117 O THR A 7 67.132 0.411 9.707 1.00 0.00 O ATOM 118 CB THR A 7 65.332 2.379 7.434 1.00 0.00 C ATOM 119 OG1 THR A 7 65.212 3.071 8.669 1.00 0.00 O ATOM 120 CG2 THR A 7 63.944 2.152 6.836 1.00 0.00 C ATOM 0 H THR A 7 64.368 0.351 8.783 1.00 0.00 H new ATOM 0 HA THR A 7 66.490 0.694 6.751 1.00 0.00 H new ATOM 0 HB THR A 7 65.929 2.972 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 7 64.501 2.662 9.206 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.459 3.113 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.038 1.621 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.343 1.559 7.526 1.00 0.00 H new ATOM 128 N LEU A 8 67.942 2.187 8.585 1.00 0.00 N ATOM 129 CA LEU A 8 69.007 2.433 9.550 1.00 0.00 C ATOM 130 C LEU A 8 68.435 2.992 10.848 1.00 0.00 C ATOM 131 O LEU A 8 68.965 2.744 11.930 1.00 0.00 O ATOM 132 CB LEU A 8 70.020 3.425 8.967 1.00 0.00 C ATOM 133 CG LEU A 8 71.214 2.667 8.378 1.00 0.00 C ATOM 134 CD1 LEU A 8 72.088 3.638 7.582 1.00 0.00 C ATOM 135 CD2 LEU A 8 72.048 2.042 9.502 1.00 0.00 C ATOM 0 H LEU A 8 67.921 2.837 7.799 1.00 0.00 H new ATOM 0 HA LEU A 8 69.505 1.487 9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.546 4.030 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.360 4.109 9.744 1.00 0.00 H new ATOM 0 HG LEU A 8 70.846 1.877 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 8 72.938 3.101 7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.502 4.078 6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 8 72.447 4.428 8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 8 72.894 1.506 9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 8 72.414 2.827 10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 8 71.430 1.348 10.071 1.00 0.00 H new ATOM 147 N THR A 9 67.346 3.747 10.731 1.00 0.00 N ATOM 148 CA THR A 9 66.706 4.336 11.901 1.00 0.00 C ATOM 149 C THR A 9 65.459 3.548 12.284 1.00 0.00 C ATOM 150 O THR A 9 64.631 4.016 13.066 1.00 0.00 O ATOM 151 CB THR A 9 66.327 5.790 11.612 1.00 0.00 C ATOM 152 OG1 THR A 9 65.003 5.839 11.098 1.00 0.00 O ATOM 153 CG2 THR A 9 67.297 6.378 10.586 1.00 0.00 C ATOM 0 H THR A 9 66.892 3.964 9.844 1.00 0.00 H new ATOM 0 HA THR A 9 67.410 4.303 12.732 1.00 0.00 H new ATOM 0 HB THR A 9 66.381 6.370 12.533 1.00 0.00 H new ATOM 0 HG1 THR A 9 64.758 6.770 10.914 1.00 0.00 H new ATOM 0 HG21 THR A 9 67.026 7.414 10.381 1.00 0.00 H new ATOM 0 HG22 THR A 9 68.312 6.340 10.981 1.00 0.00 H new ATOM 0 HG23 THR A 9 67.245 5.800 9.663 1.00 0.00 H new ATOM 161 N GLY A 10 65.332 2.346 11.727 1.00 0.00 N ATOM 162 CA GLY A 10 64.181 1.498 12.018 1.00 0.00 C ATOM 163 C GLY A 10 63.080 1.698 10.981 1.00 0.00 C ATOM 164 O GLY A 10 63.212 1.273 9.834 1.00 0.00 O ATOM 0 H GLY A 10 66.006 1.941 11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.489 0.452 12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 10 63.796 1.729 13.011 1.00 0.00 H new ATOM 168 N LYS A 11 61.996 2.347 11.396 1.00 0.00 N ATOM 169 CA LYS A 11 60.873 2.602 10.499 1.00 0.00 C ATOM 170 C LYS A 11 60.610 1.392 9.607 1.00 0.00 C ATOM 171 O LYS A 11 61.211 1.253 8.542 1.00 0.00 O ATOM 172 CB LYS A 11 61.164 3.827 9.632 1.00 0.00 C ATOM 173 CG LYS A 11 59.845 4.419 9.126 1.00 0.00 C ATOM 174 CD LYS A 11 60.135 5.638 8.251 1.00 0.00 C ATOM 175 CE LYS A 11 58.815 6.285 7.823 1.00 0.00 C ATOM 176 NZ LYS A 11 58.388 7.270 8.856 1.00 0.00 N ATOM 0 H LYS A 11 61.871 2.705 12.343 1.00 0.00 H new ATOM 0 HA LYS A 11 59.986 2.789 11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.712 4.572 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.797 3.548 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.294 3.671 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 11 59.215 4.705 9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.743 6.357 8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 11 60.708 5.341 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 11 58.936 6.781 6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 11 58.048 5.521 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 57.491 7.710 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 58.257 6.784 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 59.117 8.004 8.958 1.00 0.00 H new ATOM 190 N THR A 12 59.710 0.520 10.049 1.00 0.00 N ATOM 191 CA THR A 12 59.376 -0.674 9.282 1.00 0.00 C ATOM 192 C THR A 12 58.354 -0.346 8.198 1.00 0.00 C ATOM 193 O THR A 12 57.253 0.121 8.492 1.00 0.00 O ATOM 194 CB THR A 12 58.812 -1.752 10.208 1.00 0.00 C ATOM 195 OG1 THR A 12 59.536 -1.751 11.430 1.00 0.00 O ATOM 196 CG2 THR A 12 58.939 -3.122 9.539 1.00 0.00 C ATOM 0 H THR A 12 59.202 0.616 10.928 1.00 0.00 H new ATOM 0 HA THR A 12 60.286 -1.044 8.809 1.00 0.00 H new ATOM 0 HB THR A 12 57.761 -1.545 10.408 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.174 -2.440 12.025 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.536 -3.889 10.201 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.382 -3.122 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 12 59.989 -3.332 9.337 1.00 0.00 H new ATOM 204 N ILE A 13 58.728 -0.594 6.947 1.00 0.00 N ATOM 205 CA ILE A 13 57.839 -0.325 5.821 1.00 0.00 C ATOM 206 C ILE A 13 57.287 -1.627 5.254 1.00 0.00 C ATOM 207 O ILE A 13 57.984 -2.641 5.212 1.00 0.00 O ATOM 208 CB ILE A 13 58.596 0.429 4.725 1.00 0.00 C ATOM 209 CG1 ILE A 13 59.969 0.853 5.254 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.801 1.670 4.313 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.692 1.687 4.195 1.00 0.00 C ATOM 0 H ILE A 13 59.636 -0.979 6.687 1.00 0.00 H new ATOM 0 HA ILE A 13 57.009 0.286 6.176 1.00 0.00 H new ATOM 0 HB ILE A 13 58.724 -0.221 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.854 1.431 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.561 -0.027 5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.341 2.206 3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 13 56.824 1.368 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.670 2.322 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.669 1.988 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.820 1.094 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 13 60.102 2.575 3.966 1.00 0.00 H new ATOM 223 N THR A 14 56.032 -1.590 4.815 1.00 0.00 N ATOM 224 CA THR A 14 55.395 -2.773 4.249 1.00 0.00 C ATOM 225 C THR A 14 55.295 -2.647 2.732 1.00 0.00 C ATOM 226 O THR A 14 54.668 -1.720 2.218 1.00 0.00 O ATOM 227 CB THR A 14 53.994 -2.947 4.841 1.00 0.00 C ATOM 228 OG1 THR A 14 54.082 -2.973 6.258 1.00 0.00 O ATOM 229 CG2 THR A 14 53.385 -4.259 4.342 1.00 0.00 C ATOM 0 H THR A 14 55.440 -0.760 4.840 1.00 0.00 H new ATOM 0 HA THR A 14 56.002 -3.644 4.494 1.00 0.00 H new ATOM 0 HB THR A 14 53.362 -2.115 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.469 -3.826 6.546 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.388 -4.381 4.765 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.318 -4.239 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.015 -5.093 4.651 1.00 0.00 H new ATOM 237 N LEU A 15 55.921 -3.585 2.026 1.00 0.00 N ATOM 238 CA LEU A 15 55.904 -3.577 0.566 1.00 0.00 C ATOM 239 C LEU A 15 55.258 -4.851 0.032 1.00 0.00 C ATOM 240 O LEU A 15 55.411 -5.926 0.611 1.00 0.00 O ATOM 241 CB LEU A 15 57.334 -3.466 0.032 1.00 0.00 C ATOM 242 CG LEU A 15 57.640 -2.009 -0.315 1.00 0.00 C ATOM 243 CD1 LEU A 15 57.423 -1.133 0.920 1.00 0.00 C ATOM 244 CD2 LEU A 15 59.095 -1.890 -0.772 1.00 0.00 C ATOM 0 H LEU A 15 56.444 -4.357 2.439 1.00 0.00 H new ATOM 0 HA LEU A 15 55.321 -2.719 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.041 -3.829 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 15 57.453 -4.093 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 15 56.977 -1.680 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 15 57.641 -0.094 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 15 56.387 -1.218 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 58.086 -1.462 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.315 -0.852 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 15 59.756 -2.220 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.252 -2.514 -1.652 1.00 0.00 H new ATOM 256 N GLU A 16 54.538 -4.721 -1.077 1.00 0.00 N ATOM 257 CA GLU A 16 53.874 -5.869 -1.684 1.00 0.00 C ATOM 258 C GLU A 16 54.648 -6.350 -2.907 1.00 0.00 C ATOM 259 O GLU A 16 54.954 -5.567 -3.807 1.00 0.00 O ATOM 260 CB GLU A 16 52.450 -5.493 -2.097 1.00 0.00 C ATOM 261 CG GLU A 16 51.847 -4.545 -1.057 1.00 0.00 C ATOM 262 CD GLU A 16 50.334 -4.469 -1.236 1.00 0.00 C ATOM 263 OE1 GLU A 16 49.818 -5.201 -2.065 1.00 0.00 O ATOM 264 OE2 GLU A 16 49.713 -3.685 -0.538 1.00 0.00 O ATOM 0 H GLU A 16 54.400 -3.839 -1.571 1.00 0.00 H new ATOM 0 HA GLU A 16 53.838 -6.673 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 16 52.459 -5.016 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 16 51.837 -6.390 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.086 -4.895 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.284 -3.552 -1.161 1.00 0.00 H new ATOM 271 N VAL A 17 54.962 -7.640 -2.933 1.00 0.00 N ATOM 272 CA VAL A 17 55.703 -8.214 -4.051 1.00 0.00 C ATOM 273 C VAL A 17 55.259 -9.650 -4.308 1.00 0.00 C ATOM 274 O VAL A 17 54.486 -10.217 -3.536 1.00 0.00 O ATOM 275 CB VAL A 17 57.203 -8.186 -3.754 1.00 0.00 C ATOM 276 CG1 VAL A 17 57.622 -6.765 -3.370 1.00 0.00 C ATOM 277 CG2 VAL A 17 57.510 -9.136 -2.595 1.00 0.00 C ATOM 0 H VAL A 17 54.717 -8.305 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 17 55.499 -7.619 -4.941 1.00 0.00 H new ATOM 0 HB VAL A 17 57.754 -8.501 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 17 58.691 -6.746 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 17 57.403 -6.086 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 17 57.071 -6.450 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 17 58.579 -9.117 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 17 56.958 -8.820 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.212 -10.149 -2.866 1.00 0.00 H new ATOM 287 N GLU A 18 55.754 -10.229 -5.398 1.00 0.00 N ATOM 288 CA GLU A 18 55.406 -11.601 -5.756 1.00 0.00 C ATOM 289 C GLU A 18 56.671 -12.408 -6.053 1.00 0.00 C ATOM 290 O GLU A 18 57.705 -11.838 -6.399 1.00 0.00 O ATOM 291 CB GLU A 18 54.496 -11.597 -6.986 1.00 0.00 C ATOM 292 CG GLU A 18 53.034 -11.682 -6.545 1.00 0.00 C ATOM 293 CD GLU A 18 52.745 -10.620 -5.491 1.00 0.00 C ATOM 294 OE1 GLU A 18 52.864 -9.448 -5.813 1.00 0.00 O ATOM 295 OE2 GLU A 18 52.411 -10.990 -4.379 1.00 0.00 O ATOM 0 H GLU A 18 56.395 -9.772 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 18 54.883 -12.062 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.658 -10.690 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.740 -12.439 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.378 -11.542 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.824 -12.673 -6.142 1.00 0.00 H new ATOM 302 N PRO A 19 56.614 -13.711 -5.927 1.00 0.00 N ATOM 303 CA PRO A 19 57.791 -14.590 -6.192 1.00 0.00 C ATOM 304 C PRO A 19 58.173 -14.607 -7.670 1.00 0.00 C ATOM 305 O PRO A 19 58.942 -15.461 -8.113 1.00 0.00 O ATOM 306 CB PRO A 19 57.332 -15.977 -5.732 1.00 0.00 C ATOM 307 CG PRO A 19 55.842 -15.941 -5.767 1.00 0.00 C ATOM 308 CD PRO A 19 55.432 -14.490 -5.521 1.00 0.00 C ATOM 0 HA PRO A 19 58.682 -14.241 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 19 57.720 -16.756 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 19 57.695 -16.196 -4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 19 55.469 -16.291 -6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 19 55.421 -16.597 -5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 19 54.554 -14.218 -6.108 1.00 0.00 H new ATOM 0 HD3 PRO A 19 55.181 -14.318 -4.474 1.00 0.00 H new ATOM 316 N SER A 20 57.630 -13.659 -8.426 1.00 0.00 N ATOM 317 CA SER A 20 57.918 -13.570 -9.854 1.00 0.00 C ATOM 318 C SER A 20 58.208 -12.126 -10.253 1.00 0.00 C ATOM 319 O SER A 20 58.401 -11.826 -11.431 1.00 0.00 O ATOM 320 CB SER A 20 56.730 -14.095 -10.660 1.00 0.00 C ATOM 321 OG SER A 20 55.831 -13.024 -10.920 1.00 0.00 O ATOM 0 H SER A 20 56.991 -12.945 -8.077 1.00 0.00 H new ATOM 0 HA SER A 20 58.798 -14.178 -10.067 1.00 0.00 H new ATOM 0 HB2 SER A 20 57.075 -14.531 -11.597 1.00 0.00 H new ATOM 0 HB3 SER A 20 56.222 -14.886 -10.108 1.00 0.00 H new ATOM 0 HG SER A 20 55.068 -13.356 -11.438 1.00 0.00 H new ATOM 327 N ASP A 21 58.240 -11.238 -9.265 1.00 0.00 N ATOM 328 CA ASP A 21 58.508 -9.828 -9.526 1.00 0.00 C ATOM 329 C ASP A 21 59.998 -9.532 -9.392 1.00 0.00 C ATOM 330 O ASP A 21 60.726 -10.256 -8.712 1.00 0.00 O ATOM 331 CB ASP A 21 57.723 -8.955 -8.547 1.00 0.00 C ATOM 332 CG ASP A 21 57.966 -7.481 -8.857 1.00 0.00 C ATOM 333 OD1 ASP A 21 58.649 -6.837 -8.076 1.00 0.00 O ATOM 334 OD2 ASP A 21 57.473 -7.021 -9.872 1.00 0.00 O ATOM 0 H ASP A 21 58.085 -11.467 -8.283 1.00 0.00 H new ATOM 0 HA ASP A 21 58.194 -9.602 -10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.659 -9.180 -8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 21 58.028 -9.176 -7.524 1.00 0.00 H new ATOM 339 N THR A 22 60.442 -8.463 -10.042 1.00 0.00 N ATOM 340 CA THR A 22 61.849 -8.078 -9.989 1.00 0.00 C ATOM 341 C THR A 22 62.111 -7.183 -8.783 1.00 0.00 C ATOM 342 O THR A 22 61.179 -6.693 -8.146 1.00 0.00 O ATOM 343 CB THR A 22 62.238 -7.338 -11.270 1.00 0.00 C ATOM 344 OG1 THR A 22 61.607 -6.066 -11.291 1.00 0.00 O ATOM 345 CG2 THR A 22 61.792 -8.152 -12.487 1.00 0.00 C ATOM 0 H THR A 22 59.854 -7.851 -10.608 1.00 0.00 H new ATOM 0 HA THR A 22 62.451 -8.982 -9.896 1.00 0.00 H new ATOM 0 HB THR A 22 63.320 -7.207 -11.300 1.00 0.00 H new ATOM 0 HG1 THR A 22 61.857 -5.590 -12.111 1.00 0.00 H new ATOM 0 HG21 THR A 22 62.069 -7.624 -13.399 1.00 0.00 H new ATOM 0 HG22 THR A 22 62.278 -9.128 -12.470 1.00 0.00 H new ATOM 0 HG23 THR A 22 60.710 -8.285 -12.459 1.00 0.00 H new ATOM 353 N ILE A 23 63.387 -6.974 -8.474 1.00 0.00 N ATOM 354 CA ILE A 23 63.761 -6.136 -7.340 1.00 0.00 C ATOM 355 C ILE A 23 63.566 -4.661 -7.677 1.00 0.00 C ATOM 356 O ILE A 23 63.367 -3.833 -6.788 1.00 0.00 O ATOM 357 CB ILE A 23 65.224 -6.386 -6.965 1.00 0.00 C ATOM 358 CG1 ILE A 23 65.508 -7.891 -6.991 1.00 0.00 C ATOM 359 CG2 ILE A 23 65.492 -5.840 -5.562 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.431 -8.634 -6.197 1.00 0.00 C ATOM 0 H ILE A 23 64.174 -7.370 -8.988 1.00 0.00 H new ATOM 0 HA ILE A 23 63.121 -6.393 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 23 65.873 -5.882 -7.680 1.00 0.00 H new ATOM 0 HG12 ILE A 23 65.527 -8.249 -8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 23 66.491 -8.093 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 23 66.534 -6.018 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.291 -4.769 -5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.843 -6.343 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.637 -9.704 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.434 -8.284 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.454 -8.443 -6.642 1.00 0.00 H new ATOM 372 N GLU A 24 63.625 -4.341 -8.966 1.00 0.00 N ATOM 373 CA GLU A 24 63.453 -2.963 -9.408 1.00 0.00 C ATOM 374 C GLU A 24 62.093 -2.424 -8.973 1.00 0.00 C ATOM 375 O GLU A 24 61.977 -1.276 -8.546 1.00 0.00 O ATOM 376 CB GLU A 24 63.573 -2.883 -10.931 1.00 0.00 C ATOM 377 CG GLU A 24 65.040 -3.030 -11.336 1.00 0.00 C ATOM 378 CD GLU A 24 65.762 -1.696 -11.178 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.804 -1.681 -10.545 1.00 0.00 O ATOM 380 OE2 GLU A 24 65.260 -0.710 -11.690 1.00 0.00 O ATOM 0 H GLU A 24 63.789 -5.012 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 24 64.234 -2.356 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 24 62.976 -3.668 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.180 -1.931 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.522 -3.789 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.108 -3.369 -12.370 1.00 0.00 H new ATOM 387 N ASN A 25 61.067 -3.262 -9.088 1.00 0.00 N ATOM 388 CA ASN A 25 59.720 -2.858 -8.704 1.00 0.00 C ATOM 389 C ASN A 25 59.651 -2.568 -7.209 1.00 0.00 C ATOM 390 O ASN A 25 58.998 -1.617 -6.779 1.00 0.00 O ATOM 391 CB ASN A 25 58.723 -3.964 -9.059 1.00 0.00 C ATOM 392 CG ASN A 25 57.589 -3.393 -9.904 1.00 0.00 C ATOM 393 OD1 ASN A 25 56.516 -3.090 -9.380 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.763 -3.227 -11.186 1.00 0.00 N ATOM 0 H ASN A 25 61.142 -4.216 -9.441 1.00 0.00 H new ATOM 0 HA ASN A 25 59.465 -1.949 -9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 25 59.229 -4.760 -9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 25 58.321 -4.408 -8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 25 57.009 -2.845 -11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 25 58.653 -3.479 -11.617 1.00 0.00 H new ATOM 401 N ALA A 26 60.328 -3.395 -6.419 1.00 0.00 N ATOM 402 CA ALA A 26 60.336 -3.219 -4.971 1.00 0.00 C ATOM 403 C ALA A 26 61.149 -1.986 -4.586 1.00 0.00 C ATOM 404 O ALA A 26 60.751 -1.217 -3.711 1.00 0.00 O ATOM 405 CB ALA A 26 60.932 -4.457 -4.297 1.00 0.00 C ATOM 0 H ALA A 26 60.875 -4.188 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 26 59.308 -3.083 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 26 60.934 -4.317 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.333 -5.332 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 26 61.954 -4.605 -4.646 1.00 0.00 H new ATOM 411 N LYS A 27 62.288 -1.804 -5.247 1.00 0.00 N ATOM 412 CA LYS A 27 63.149 -0.661 -4.964 1.00 0.00 C ATOM 413 C LYS A 27 62.473 0.638 -5.391 1.00 0.00 C ATOM 414 O LYS A 27 62.550 1.648 -4.692 1.00 0.00 O ATOM 415 CB LYS A 27 64.479 -0.813 -5.704 1.00 0.00 C ATOM 416 CG LYS A 27 65.420 -1.700 -4.887 1.00 0.00 C ATOM 417 CD LYS A 27 66.482 -2.304 -5.809 1.00 0.00 C ATOM 418 CE LYS A 27 67.156 -1.188 -6.609 1.00 0.00 C ATOM 419 NZ LYS A 27 68.462 -1.677 -7.139 1.00 0.00 N ATOM 0 H LYS A 27 62.634 -2.428 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 27 63.333 -0.626 -3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.312 -1.252 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 64.932 0.165 -5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.896 -1.115 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 27 64.855 -2.493 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 27 67.224 -2.844 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.024 -3.026 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.512 -0.875 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.312 -0.315 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 68.921 -0.919 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 69.076 -1.955 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 68.300 -2.498 -7.757 1.00 0.00 H new ATOM 433 N ALA A 28 61.811 0.602 -6.542 1.00 0.00 N ATOM 434 CA ALA A 28 61.124 1.784 -7.052 1.00 0.00 C ATOM 435 C ALA A 28 60.070 2.258 -6.059 1.00 0.00 C ATOM 436 O ALA A 28 59.795 3.454 -5.954 1.00 0.00 O ATOM 437 CB ALA A 28 60.459 1.464 -8.392 1.00 0.00 C ATOM 0 H ALA A 28 61.735 -0.224 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 28 61.858 2.577 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 28 59.948 2.351 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.218 1.153 -9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.736 0.660 -8.257 1.00 0.00 H new ATOM 443 N LYS A 29 59.484 1.315 -5.330 1.00 0.00 N ATOM 444 CA LYS A 29 58.460 1.647 -4.345 1.00 0.00 C ATOM 445 C LYS A 29 59.065 2.443 -3.191 1.00 0.00 C ATOM 446 O LYS A 29 58.537 3.482 -2.799 1.00 0.00 O ATOM 447 CB LYS A 29 57.819 0.368 -3.806 1.00 0.00 C ATOM 448 CG LYS A 29 56.480 0.133 -4.507 1.00 0.00 C ATOM 449 CD LYS A 29 55.862 -1.173 -4.008 1.00 0.00 C ATOM 450 CE LYS A 29 54.692 -1.562 -4.911 1.00 0.00 C ATOM 451 NZ LYS A 29 53.797 -2.510 -4.188 1.00 0.00 N ATOM 0 H LYS A 29 59.698 0.320 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 29 57.698 2.256 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.482 -0.481 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.668 0.450 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.804 0.965 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 29 56.626 0.089 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.612 -1.964 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.518 -1.056 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.135 -0.672 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 29 55.063 -2.023 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.893 -2.590 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 54.250 -3.445 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.623 -2.157 -3.225 1.00 0.00 H new ATOM 465 N ILE A 30 60.174 1.947 -2.654 1.00 0.00 N ATOM 466 CA ILE A 30 60.841 2.620 -1.545 1.00 0.00 C ATOM 467 C ILE A 30 61.289 4.017 -1.961 1.00 0.00 C ATOM 468 O ILE A 30 61.295 4.944 -1.152 1.00 0.00 O ATOM 469 CB ILE A 30 62.053 1.802 -1.091 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.592 0.728 -0.104 1.00 0.00 C ATOM 471 CG2 ILE A 30 63.071 2.718 -0.403 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.501 -0.493 -0.222 1.00 0.00 C ATOM 0 H ILE A 30 60.628 1.088 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 30 60.136 2.709 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 30 62.519 1.335 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.619 1.118 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.559 0.448 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.931 2.130 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.398 3.488 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.609 3.188 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.174 -1.259 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.452 -0.887 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.527 -0.206 0.006 1.00 0.00 H new ATOM 484 N GLN A 31 61.665 4.159 -3.227 1.00 0.00 N ATOM 485 CA GLN A 31 62.118 5.446 -3.740 1.00 0.00 C ATOM 486 C GLN A 31 60.991 6.474 -3.700 1.00 0.00 C ATOM 487 O GLN A 31 61.202 7.623 -3.319 1.00 0.00 O ATOM 488 CB GLN A 31 62.613 5.283 -5.179 1.00 0.00 C ATOM 489 CG GLN A 31 62.589 6.639 -5.892 1.00 0.00 C ATOM 490 CD GLN A 31 63.492 6.597 -7.120 1.00 0.00 C ATOM 491 OE1 GLN A 31 64.171 5.599 -7.359 1.00 0.00 O ATOM 492 NE2 GLN A 31 63.534 7.626 -7.922 1.00 0.00 N ATOM 0 H GLN A 31 61.665 3.404 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 31 62.933 5.800 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.625 4.878 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.983 4.570 -5.712 1.00 0.00 H new ATOM 0 HG2 GLN A 31 61.569 6.886 -6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 31 62.922 7.423 -5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 31 62.970 8.452 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.131 7.604 -8.749 1.00 0.00 H new ATOM 501 N ASP A 32 59.797 6.057 -4.107 1.00 0.00 N ATOM 502 CA ASP A 32 58.648 6.957 -4.124 1.00 0.00 C ATOM 503 C ASP A 32 58.083 7.170 -2.720 1.00 0.00 C ATOM 504 O ASP A 32 57.357 8.134 -2.478 1.00 0.00 O ATOM 505 CB ASP A 32 57.558 6.388 -5.032 1.00 0.00 C ATOM 506 CG ASP A 32 57.994 6.482 -6.490 1.00 0.00 C ATOM 507 OD1 ASP A 32 58.916 5.773 -6.859 1.00 0.00 O ATOM 508 OD2 ASP A 32 57.406 7.267 -7.216 1.00 0.00 O ATOM 0 H ASP A 32 59.599 5.109 -4.427 1.00 0.00 H new ATOM 0 HA ASP A 32 58.984 7.921 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.360 5.349 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.628 6.937 -4.886 1.00 0.00 H new ATOM 513 N LYS A 33 58.406 6.266 -1.803 1.00 0.00 N ATOM 514 CA LYS A 33 57.906 6.374 -0.435 1.00 0.00 C ATOM 515 C LYS A 33 58.895 7.115 0.461 1.00 0.00 C ATOM 516 O LYS A 33 58.497 7.922 1.301 1.00 0.00 O ATOM 517 CB LYS A 33 57.649 4.980 0.140 1.00 0.00 C ATOM 518 CG LYS A 33 56.569 4.276 -0.686 1.00 0.00 C ATOM 519 CD LYS A 33 55.350 4.003 0.196 1.00 0.00 C ATOM 520 CE LYS A 33 54.265 3.312 -0.633 1.00 0.00 C ATOM 521 NZ LYS A 33 53.950 4.145 -1.830 1.00 0.00 N ATOM 0 H LYS A 33 59.005 5.459 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 33 56.975 6.940 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.569 4.395 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.333 5.057 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.285 4.896 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.956 3.340 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.632 3.375 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.969 4.938 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.603 2.323 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.368 3.168 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.944 4.041 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 54.155 5.143 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.532 3.832 -2.633 1.00 0.00 H new ATOM 535 N GLU A 34 60.181 6.829 0.290 1.00 0.00 N ATOM 536 CA GLU A 34 61.208 7.472 1.105 1.00 0.00 C ATOM 537 C GLU A 34 61.839 8.652 0.371 1.00 0.00 C ATOM 538 O GLU A 34 62.517 9.479 0.981 1.00 0.00 O ATOM 539 CB GLU A 34 62.294 6.458 1.470 1.00 0.00 C ATOM 540 CG GLU A 34 61.647 5.214 2.081 1.00 0.00 C ATOM 541 CD GLU A 34 60.901 5.587 3.359 1.00 0.00 C ATOM 542 OE1 GLU A 34 59.908 4.942 3.650 1.00 0.00 O ATOM 543 OE2 GLU A 34 61.335 6.511 4.027 1.00 0.00 O ATOM 0 H GLU A 34 60.536 6.164 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 34 60.732 7.846 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.865 6.185 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.996 6.900 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.958 4.764 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 34 62.410 4.468 2.301 1.00 0.00 H new ATOM 550 N GLY A 35 61.618 8.726 -0.936 1.00 0.00 N ATOM 551 CA GLY A 35 62.181 9.814 -1.729 1.00 0.00 C ATOM 552 C GLY A 35 63.688 9.647 -1.885 1.00 0.00 C ATOM 553 O GLY A 35 64.390 10.585 -2.259 1.00 0.00 O ATOM 0 H GLY A 35 61.060 8.055 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.709 9.836 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 35 61.964 10.769 -1.250 1.00 0.00 H new ATOM 557 N ILE A 36 64.178 8.447 -1.591 1.00 0.00 N ATOM 558 CA ILE A 36 65.605 8.168 -1.698 1.00 0.00 C ATOM 559 C ILE A 36 65.947 7.663 -3.110 1.00 0.00 C ATOM 560 O ILE A 36 65.319 6.719 -3.588 1.00 0.00 O ATOM 561 CB ILE A 36 65.998 7.104 -0.672 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.573 7.562 0.725 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.515 6.903 -0.699 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.776 6.418 1.721 1.00 0.00 C ATOM 0 H ILE A 36 63.613 7.658 -1.279 1.00 0.00 H new ATOM 0 HA ILE A 36 66.157 9.088 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 36 65.502 6.165 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 36 66.158 8.430 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.527 7.869 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.795 6.145 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.821 6.579 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 36 68.011 7.843 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.473 6.744 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.172 5.562 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 66.828 6.132 1.737 1.00 0.00 H new ATOM 576 N PRO A 37 66.916 8.247 -3.791 1.00 0.00 N ATOM 577 CA PRO A 37 67.294 7.797 -5.161 1.00 0.00 C ATOM 578 C PRO A 37 67.334 6.269 -5.266 1.00 0.00 C ATOM 579 O PRO A 37 67.477 5.580 -4.254 1.00 0.00 O ATOM 580 CB PRO A 37 68.688 8.393 -5.365 1.00 0.00 C ATOM 581 CG PRO A 37 68.737 9.607 -4.498 1.00 0.00 C ATOM 582 CD PRO A 37 67.750 9.384 -3.349 1.00 0.00 C ATOM 0 HA PRO A 37 66.575 8.118 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.464 7.680 -5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 37 68.855 8.651 -6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.745 9.765 -4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 37 68.470 10.497 -5.067 1.00 0.00 H new ATOM 0 HD2 PRO A 37 68.270 9.156 -2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 37 67.145 10.273 -3.167 1.00 0.00 H new ATOM 590 N PRO A 38 67.213 5.727 -6.454 1.00 0.00 N ATOM 591 CA PRO A 38 67.242 4.249 -6.663 1.00 0.00 C ATOM 592 C PRO A 38 68.640 3.666 -6.471 1.00 0.00 C ATOM 593 O PRO A 38 68.791 2.519 -6.049 1.00 0.00 O ATOM 594 CB PRO A 38 66.773 4.077 -8.109 1.00 0.00 C ATOM 595 CG PRO A 38 67.115 5.359 -8.790 1.00 0.00 C ATOM 596 CD PRO A 38 67.037 6.454 -7.724 1.00 0.00 C ATOM 0 HA PRO A 38 66.616 3.723 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.271 3.233 -8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 38 65.702 3.881 -8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.113 5.312 -9.225 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.421 5.562 -9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.814 7.205 -7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.080 6.975 -7.756 1.00 0.00 H new ATOM 604 N ASP A 39 69.657 4.460 -6.787 1.00 0.00 N ATOM 605 CA ASP A 39 71.038 4.010 -6.648 1.00 0.00 C ATOM 606 C ASP A 39 71.447 3.961 -5.179 1.00 0.00 C ATOM 607 O ASP A 39 72.302 3.166 -4.790 1.00 0.00 O ATOM 608 CB ASP A 39 71.973 4.954 -7.406 1.00 0.00 C ATOM 609 CG ASP A 39 72.996 5.554 -6.448 1.00 0.00 C ATOM 610 OD1 ASP A 39 73.979 4.887 -6.167 1.00 0.00 O ATOM 611 OD2 ASP A 39 72.781 6.670 -6.005 1.00 0.00 O ATOM 0 H ASP A 39 69.553 5.412 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 39 71.113 3.006 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 39 72.483 4.412 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.396 5.748 -7.879 1.00 0.00 H new ATOM 616 N GLN A 40 70.837 4.819 -4.368 1.00 0.00 N ATOM 617 CA GLN A 40 71.152 4.866 -2.944 1.00 0.00 C ATOM 618 C GLN A 40 70.351 3.819 -2.175 1.00 0.00 C ATOM 619 O GLN A 40 70.282 3.859 -0.945 1.00 0.00 O ATOM 620 CB GLN A 40 70.844 6.257 -2.388 1.00 0.00 C ATOM 621 CG GLN A 40 72.127 7.091 -2.360 1.00 0.00 C ATOM 622 CD GLN A 40 71.786 8.574 -2.255 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.770 8.938 -1.664 1.00 0.00 O ATOM 624 NE2 GLN A 40 72.581 9.456 -2.795 1.00 0.00 N ATOM 0 H GLN A 40 70.127 5.487 -4.669 1.00 0.00 H new ATOM 0 HA GLN A 40 72.213 4.650 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.092 6.748 -3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.429 6.175 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.746 6.792 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.709 6.907 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 40 73.423 9.152 -3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 40 72.361 10.450 -2.728 1.00 0.00 H new ATOM 633 N GLN A 41 69.750 2.882 -2.905 1.00 0.00 N ATOM 634 CA GLN A 41 68.956 1.829 -2.277 1.00 0.00 C ATOM 635 C GLN A 41 69.693 0.493 -2.338 1.00 0.00 C ATOM 636 O GLN A 41 70.172 0.084 -3.396 1.00 0.00 O ATOM 637 CB GLN A 41 67.606 1.696 -2.985 1.00 0.00 C ATOM 638 CG GLN A 41 66.603 2.678 -2.372 1.00 0.00 C ATOM 639 CD GLN A 41 65.258 2.553 -3.079 1.00 0.00 C ATOM 640 OE1 GLN A 41 64.735 3.538 -3.600 1.00 0.00 O ATOM 641 NE2 GLN A 41 64.664 1.393 -3.131 1.00 0.00 N ATOM 0 H GLN A 41 69.797 2.830 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 41 68.795 2.099 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.722 1.897 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.234 0.676 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.485 2.474 -1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 41 66.978 3.698 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.099 0.578 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 41 63.765 1.301 -3.604 1.00 0.00 H new ATOM 650 N ARG A 42 69.776 -0.182 -1.195 1.00 0.00 N ATOM 651 CA ARG A 42 70.453 -1.474 -1.124 1.00 0.00 C ATOM 652 C ARG A 42 69.609 -2.476 -0.344 1.00 0.00 C ATOM 653 O ARG A 42 69.529 -2.414 0.882 1.00 0.00 O ATOM 654 CB ARG A 42 71.812 -1.313 -0.444 1.00 0.00 C ATOM 655 CG ARG A 42 72.897 -1.925 -1.330 1.00 0.00 C ATOM 656 CD ARG A 42 74.247 -1.809 -0.626 1.00 0.00 C ATOM 657 NE ARG A 42 75.327 -1.770 -1.604 1.00 0.00 N ATOM 658 CZ ARG A 42 75.845 -2.889 -2.101 1.00 0.00 C ATOM 659 NH1 ARG A 42 76.815 -2.828 -2.972 1.00 0.00 N ATOM 660 NH2 ARG A 42 75.384 -4.048 -1.718 1.00 0.00 N ATOM 0 H ARG A 42 69.386 0.141 -0.310 1.00 0.00 H new ATOM 0 HA ARG A 42 70.596 -1.846 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.021 -0.258 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 42 71.804 -1.801 0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.669 -2.971 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 42 72.930 -1.412 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.269 -0.907 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.387 -2.655 0.047 1.00 0.00 H new ATOM 0 HE ARG A 42 75.692 -0.869 -1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 42 77.176 -1.922 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 42 77.213 -3.686 -3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 42 74.626 -4.096 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 42 75.782 -4.906 -2.099 1.00 0.00 H new ATOM 674 N LEU A 43 68.979 -3.399 -1.063 1.00 0.00 N ATOM 675 CA LEU A 43 68.141 -4.410 -0.424 1.00 0.00 C ATOM 676 C LEU A 43 68.937 -5.688 -0.173 1.00 0.00 C ATOM 677 O LEU A 43 69.498 -6.272 -1.100 1.00 0.00 O ATOM 678 CB LEU A 43 66.936 -4.724 -1.313 1.00 0.00 C ATOM 679 CG LEU A 43 65.644 -4.330 -0.591 1.00 0.00 C ATOM 680 CD1 LEU A 43 65.638 -2.822 -0.336 1.00 0.00 C ATOM 681 CD2 LEU A 43 64.441 -4.702 -1.464 1.00 0.00 C ATOM 0 H LEU A 43 69.031 -3.469 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 43 67.796 -4.018 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.017 -4.183 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.918 -5.786 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 43 65.585 -4.859 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.718 -2.544 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.494 -2.554 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 43 65.697 -2.292 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 63.520 -4.423 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 43 64.503 -4.172 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 43 64.443 -5.777 -1.647 1.00 0.00 H new ATOM 693 N ILE A 44 68.976 -6.115 1.086 1.00 0.00 N ATOM 694 CA ILE A 44 69.701 -7.327 1.454 1.00 0.00 C ATOM 695 C ILE A 44 68.825 -8.230 2.317 1.00 0.00 C ATOM 696 O ILE A 44 67.886 -7.767 2.964 1.00 0.00 O ATOM 697 CB ILE A 44 70.977 -6.969 2.224 1.00 0.00 C ATOM 698 CG1 ILE A 44 71.932 -6.180 1.320 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.668 -8.253 2.688 1.00 0.00 C ATOM 700 CD1 ILE A 44 71.698 -4.680 1.510 1.00 0.00 C ATOM 0 H ILE A 44 68.517 -5.643 1.865 1.00 0.00 H new ATOM 0 HA ILE A 44 69.968 -7.856 0.539 1.00 0.00 H new ATOM 0 HB ILE A 44 70.712 -6.358 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 44 72.965 -6.430 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 44 71.771 -6.454 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.576 -8.000 3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 44 70.996 -8.813 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 44 71.925 -8.862 1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 44 72.378 -4.121 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 44 70.668 -4.436 1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 44 71.881 -4.412 2.551 1.00 0.00 H new ATOM 712 N PHE A 45 69.139 -9.521 2.320 1.00 0.00 N ATOM 713 CA PHE A 45 68.376 -10.483 3.105 1.00 0.00 C ATOM 714 C PHE A 45 69.222 -11.718 3.401 1.00 0.00 C ATOM 715 O PHE A 45 70.361 -11.823 2.948 1.00 0.00 O ATOM 716 CB PHE A 45 67.111 -10.890 2.342 1.00 0.00 C ATOM 717 CG PHE A 45 66.306 -11.857 3.174 1.00 0.00 C ATOM 718 CD1 PHE A 45 65.541 -11.389 4.250 1.00 0.00 C ATOM 719 CD2 PHE A 45 66.321 -13.223 2.869 1.00 0.00 C ATOM 720 CE1 PHE A 45 64.793 -12.287 5.021 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.573 -14.122 3.641 1.00 0.00 C ATOM 722 CZ PHE A 45 64.809 -13.653 4.716 1.00 0.00 C ATOM 0 H PHE A 45 69.912 -9.923 1.791 1.00 0.00 H new ATOM 0 HA PHE A 45 68.093 -10.018 4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 45 66.513 -10.008 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 45 67.380 -11.350 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 45 65.528 -10.335 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.909 -13.584 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 45 64.204 -11.926 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 45 65.586 -15.176 3.407 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.232 -14.346 5.310 1.00 0.00 H new ATOM 732 N ALA A 46 68.659 -12.651 4.166 1.00 0.00 N ATOM 733 CA ALA A 46 69.377 -13.873 4.515 1.00 0.00 C ATOM 734 C ALA A 46 69.747 -14.661 3.263 1.00 0.00 C ATOM 735 O ALA A 46 70.358 -15.727 3.348 1.00 0.00 O ATOM 736 CB ALA A 46 68.513 -14.741 5.432 1.00 0.00 C ATOM 0 H ALA A 46 67.717 -12.585 4.552 1.00 0.00 H new ATOM 0 HA ALA A 46 70.294 -13.595 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 46 69.055 -15.651 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 46 68.280 -14.189 6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 46 67.587 -15.002 4.919 1.00 0.00 H new ATOM 742 N GLY A 47 69.374 -14.131 2.105 1.00 0.00 N ATOM 743 CA GLY A 47 69.674 -14.794 0.841 1.00 0.00 C ATOM 744 C GLY A 47 70.955 -14.240 0.228 1.00 0.00 C ATOM 745 O GLY A 47 71.088 -14.163 -0.993 1.00 0.00 O ATOM 0 H GLY A 47 68.867 -13.251 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 47 69.778 -15.867 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 47 68.845 -14.656 0.147 1.00 0.00 H new ATOM 749 N LYS A 48 71.896 -13.855 1.084 1.00 0.00 N ATOM 750 CA LYS A 48 73.165 -13.307 0.616 1.00 0.00 C ATOM 751 C LYS A 48 73.679 -14.095 -0.586 1.00 0.00 C ATOM 752 O LYS A 48 74.374 -15.100 -0.430 1.00 0.00 O ATOM 753 CB LYS A 48 74.206 -13.347 1.737 1.00 0.00 C ATOM 754 CG LYS A 48 73.697 -14.221 2.886 1.00 0.00 C ATOM 755 CD LYS A 48 74.841 -14.483 3.867 1.00 0.00 C ATOM 756 CE LYS A 48 74.265 -14.861 5.234 1.00 0.00 C ATOM 757 NZ LYS A 48 73.876 -13.624 5.968 1.00 0.00 N ATOM 0 H LYS A 48 71.806 -13.911 2.098 1.00 0.00 H new ATOM 0 HA LYS A 48 72.999 -12.272 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.148 -13.742 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.406 -12.338 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 48 72.871 -13.726 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 48 73.312 -15.164 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.477 -15.286 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.467 -13.595 3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 48 73.398 -15.510 5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 48 75.002 -15.421 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 73.122 -13.847 6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 74.701 -13.248 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 73.533 -12.912 5.292 1.00 0.00 H new ATOM 771 N GLN A 49 73.331 -13.633 -1.781 1.00 0.00 N ATOM 772 CA GLN A 49 73.761 -14.303 -3.003 1.00 0.00 C ATOM 773 C GLN A 49 73.989 -13.287 -4.118 1.00 0.00 C ATOM 774 O GLN A 49 73.213 -13.213 -5.072 1.00 0.00 O ATOM 775 CB GLN A 49 72.702 -15.315 -3.441 1.00 0.00 C ATOM 776 CG GLN A 49 73.315 -16.296 -4.443 1.00 0.00 C ATOM 777 CD GLN A 49 74.093 -17.378 -3.702 1.00 0.00 C ATOM 778 OE1 GLN A 49 74.177 -17.353 -2.475 1.00 0.00 O ATOM 779 NE2 GLN A 49 74.670 -18.334 -4.379 1.00 0.00 N ATOM 0 H GLN A 49 72.757 -12.803 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 49 74.699 -14.821 -2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 49 72.320 -15.855 -2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 49 71.855 -14.798 -3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 49 72.530 -16.750 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 49 73.976 -15.764 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 49 74.599 -18.353 -5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 49 75.192 -19.062 -3.890 1.00 0.00 H new ATOM 788 N LEU A 50 75.058 -12.506 -3.993 1.00 0.00 N ATOM 789 CA LEU A 50 75.377 -11.499 -4.997 1.00 0.00 C ATOM 790 C LEU A 50 75.960 -12.150 -6.245 1.00 0.00 C ATOM 791 O LEU A 50 77.073 -11.830 -6.665 1.00 0.00 O ATOM 792 CB LEU A 50 76.379 -10.493 -4.434 1.00 0.00 C ATOM 793 CG LEU A 50 75.846 -9.909 -3.124 1.00 0.00 C ATOM 794 CD1 LEU A 50 76.870 -8.931 -2.548 1.00 0.00 C ATOM 795 CD2 LEU A 50 74.529 -9.172 -3.386 1.00 0.00 C ATOM 0 H LEU A 50 75.713 -12.551 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 50 74.455 -10.982 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 50 77.339 -10.979 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 50 76.551 -9.694 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 50 75.673 -10.717 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 50 76.491 -8.515 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 50 77.807 -9.455 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 50 77.044 -8.125 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 50 74.152 -8.757 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 50 74.699 -8.365 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 50 73.797 -9.869 -3.795 1.00 0.00 H new ATOM 807 N GLU A 51 75.200 -13.064 -6.835 1.00 0.00 N ATOM 808 CA GLU A 51 75.647 -13.756 -8.038 1.00 0.00 C ATOM 809 C GLU A 51 75.025 -13.128 -9.279 1.00 0.00 C ATOM 810 O GLU A 51 73.920 -12.587 -9.228 1.00 0.00 O ATOM 811 CB GLU A 51 75.262 -15.235 -7.964 1.00 0.00 C ATOM 812 CG GLU A 51 76.094 -15.925 -6.883 1.00 0.00 C ATOM 813 CD GLU A 51 77.522 -16.134 -7.377 1.00 0.00 C ATOM 814 OE1 GLU A 51 78.431 -15.979 -6.578 1.00 0.00 O ATOM 815 OE2 GLU A 51 77.685 -16.442 -8.546 1.00 0.00 O ATOM 0 H GLU A 51 74.277 -13.342 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 51 76.731 -13.666 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 51 74.200 -15.334 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 51 75.430 -15.714 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.099 -15.321 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 51 75.646 -16.884 -6.625 1.00 0.00 H new ATOM 822 N ASP A 52 75.743 -13.203 -10.393 1.00 0.00 N ATOM 823 CA ASP A 52 75.255 -12.641 -11.646 1.00 0.00 C ATOM 824 C ASP A 52 74.190 -13.545 -12.259 1.00 0.00 C ATOM 825 O ASP A 52 73.252 -13.071 -12.900 1.00 0.00 O ATOM 826 CB ASP A 52 76.410 -12.469 -12.631 1.00 0.00 C ATOM 827 CG ASP A 52 77.683 -12.083 -11.886 1.00 0.00 C ATOM 828 OD1 ASP A 52 78.637 -12.840 -11.953 1.00 0.00 O ATOM 829 OD2 ASP A 52 77.687 -11.032 -11.266 1.00 0.00 O ATOM 0 H ASP A 52 76.660 -13.645 -10.455 1.00 0.00 H new ATOM 0 HA ASP A 52 74.813 -11.667 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 52 76.569 -13.396 -13.182 1.00 0.00 H new ATOM 0 HB3 ASP A 52 76.162 -11.701 -13.364 1.00 0.00 H new ATOM 834 N GLY A 53 74.345 -14.850 -12.061 1.00 0.00 N ATOM 835 CA GLY A 53 73.394 -15.815 -12.601 1.00 0.00 C ATOM 836 C GLY A 53 72.081 -15.776 -11.828 1.00 0.00 C ATOM 837 O GLY A 53 71.014 -15.565 -12.407 1.00 0.00 O ATOM 0 H GLY A 53 75.115 -15.262 -11.534 1.00 0.00 H new ATOM 0 HA2 GLY A 53 73.208 -15.598 -13.653 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.820 -16.817 -12.552 1.00 0.00 H new ATOM 841 N ARG A 54 72.164 -15.984 -10.517 1.00 0.00 N ATOM 842 CA ARG A 54 70.972 -15.974 -9.676 1.00 0.00 C ATOM 843 C ARG A 54 70.731 -14.581 -9.103 1.00 0.00 C ATOM 844 O ARG A 54 71.667 -13.800 -8.930 1.00 0.00 O ATOM 845 CB ARG A 54 71.134 -16.976 -8.532 1.00 0.00 C ATOM 846 CG ARG A 54 71.424 -18.364 -9.106 1.00 0.00 C ATOM 847 CD ARG A 54 72.928 -18.635 -9.053 1.00 0.00 C ATOM 848 NE ARG A 54 73.252 -19.836 -9.814 1.00 0.00 N ATOM 849 CZ ARG A 54 74.413 -20.461 -9.651 1.00 0.00 C ATOM 850 NH1 ARG A 54 74.679 -21.536 -10.342 1.00 0.00 N ATOM 851 NH2 ARG A 54 75.290 -19.999 -8.801 1.00 0.00 N ATOM 0 H ARG A 54 73.036 -16.160 -10.018 1.00 0.00 H new ATOM 0 HA ARG A 54 70.115 -16.255 -10.289 1.00 0.00 H new ATOM 0 HB2 ARG A 54 71.946 -16.666 -7.875 1.00 0.00 H new ATOM 0 HB3 ARG A 54 70.228 -17.003 -7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 54 70.887 -19.123 -8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 54 71.069 -18.425 -10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 54 73.473 -17.782 -9.457 1.00 0.00 H new ATOM 0 HD3 ARG A 54 73.247 -18.755 -8.018 1.00 0.00 H new ATOM 0 HE ARG A 54 72.575 -20.203 -10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 54 73.995 -21.897 -11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 54 75.571 -22.015 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 54 75.084 -19.158 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 54 76.181 -20.479 -8.676 1.00 0.00 H new ATOM 865 N THR A 55 69.468 -14.280 -8.810 1.00 0.00 N ATOM 866 CA THR A 55 69.101 -12.981 -8.255 1.00 0.00 C ATOM 867 C THR A 55 68.424 -13.153 -6.900 1.00 0.00 C ATOM 868 O THR A 55 68.146 -14.274 -6.472 1.00 0.00 O ATOM 869 CB THR A 55 68.154 -12.255 -9.212 1.00 0.00 C ATOM 870 OG1 THR A 55 67.161 -13.160 -9.671 1.00 0.00 O ATOM 871 CG2 THR A 55 68.944 -11.713 -10.404 1.00 0.00 C ATOM 0 H THR A 55 68.683 -14.917 -8.948 1.00 0.00 H new ATOM 0 HA THR A 55 70.008 -12.391 -8.124 1.00 0.00 H new ATOM 0 HB THR A 55 67.677 -11.426 -8.690 1.00 0.00 H new ATOM 0 HG1 THR A 55 66.553 -12.695 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 55 68.267 -11.196 -11.084 1.00 0.00 H new ATOM 0 HG22 THR A 55 69.704 -11.017 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 55 69.424 -12.539 -10.928 1.00 0.00 H new ATOM 879 N LEU A 56 68.160 -12.036 -6.228 1.00 0.00 N ATOM 880 CA LEU A 56 67.517 -12.072 -4.925 1.00 0.00 C ATOM 881 C LEU A 56 66.154 -12.752 -5.021 1.00 0.00 C ATOM 882 O LEU A 56 65.741 -13.467 -4.108 1.00 0.00 O ATOM 883 CB LEU A 56 67.341 -10.641 -4.413 1.00 0.00 C ATOM 884 CG LEU A 56 68.680 -10.061 -3.920 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.014 -10.598 -2.522 1.00 0.00 C ATOM 886 CD2 LEU A 56 69.826 -10.405 -4.881 1.00 0.00 C ATOM 0 H LEU A 56 68.382 -11.099 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 56 68.141 -12.640 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.940 -10.013 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.614 -10.629 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 56 68.572 -8.977 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.963 -10.179 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.226 -10.313 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.090 -11.685 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.757 -9.981 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.925 -11.488 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 56 69.611 -9.991 -5.866 1.00 0.00 H new ATOM 898 N SER A 57 65.462 -12.525 -6.132 1.00 0.00 N ATOM 899 CA SER A 57 64.147 -13.119 -6.338 1.00 0.00 C ATOM 900 C SER A 57 64.255 -14.637 -6.439 1.00 0.00 C ATOM 901 O SER A 57 63.331 -15.361 -6.069 1.00 0.00 O ATOM 902 CB SER A 57 63.517 -12.564 -7.615 1.00 0.00 C ATOM 903 OG SER A 57 62.827 -11.359 -7.314 1.00 0.00 O ATOM 0 H SER A 57 65.788 -11.937 -6.900 1.00 0.00 H new ATOM 0 HA SER A 57 63.518 -12.867 -5.485 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.288 -12.378 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 57 62.829 -13.294 -8.041 1.00 0.00 H new ATOM 0 HG SER A 57 62.135 -11.201 -7.990 1.00 0.00 H new ATOM 909 N ASP A 58 65.390 -15.113 -6.944 1.00 0.00 N ATOM 910 CA ASP A 58 65.607 -16.547 -7.091 1.00 0.00 C ATOM 911 C ASP A 58 65.545 -17.241 -5.733 1.00 0.00 C ATOM 912 O ASP A 58 65.470 -18.467 -5.655 1.00 0.00 O ATOM 913 CB ASP A 58 66.970 -16.806 -7.736 1.00 0.00 C ATOM 914 CG ASP A 58 66.810 -17.738 -8.932 1.00 0.00 C ATOM 915 OD1 ASP A 58 67.248 -18.872 -8.837 1.00 0.00 O ATOM 916 OD2 ASP A 58 66.249 -17.304 -9.925 1.00 0.00 O ATOM 0 H ASP A 58 66.167 -14.531 -7.256 1.00 0.00 H new ATOM 0 HA ASP A 58 64.821 -16.950 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.416 -15.864 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 58 67.649 -17.249 -7.007 1.00 0.00 H new ATOM 921 N TYR A 59 65.576 -16.449 -4.666 1.00 0.00 N ATOM 922 CA TYR A 59 65.522 -17.000 -3.316 1.00 0.00 C ATOM 923 C TYR A 59 64.075 -17.204 -2.882 1.00 0.00 C ATOM 924 O TYR A 59 63.806 -17.669 -1.774 1.00 0.00 O ATOM 925 CB TYR A 59 66.222 -16.056 -2.337 1.00 0.00 C ATOM 926 CG TYR A 59 66.960 -16.865 -1.298 1.00 0.00 C ATOM 927 CD1 TYR A 59 68.110 -17.578 -1.655 1.00 0.00 C ATOM 928 CD2 TYR A 59 66.495 -16.903 0.022 1.00 0.00 C ATOM 929 CE1 TYR A 59 68.796 -18.329 -0.692 1.00 0.00 C ATOM 930 CE2 TYR A 59 67.179 -17.653 0.984 1.00 0.00 C ATOM 931 CZ TYR A 59 68.330 -18.366 0.628 1.00 0.00 C ATOM 932 OH TYR A 59 69.006 -19.106 1.577 1.00 0.00 O ATOM 0 H TYR A 59 65.638 -15.432 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 59 66.031 -17.964 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 59 66.918 -15.410 -2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.491 -15.407 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 59 68.469 -17.549 -2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 59 65.607 -16.353 0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 59 69.684 -18.879 -0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 59 66.819 -17.682 2.002 1.00 0.00 H new ATOM 0 HH TYR A 59 68.551 -19.023 2.441 1.00 0.00 H new ATOM 942 N ASN A 60 63.144 -16.853 -3.765 1.00 0.00 N ATOM 943 CA ASN A 60 61.725 -17.000 -3.465 1.00 0.00 C ATOM 944 C ASN A 60 61.395 -16.393 -2.106 1.00 0.00 C ATOM 945 O ASN A 60 60.767 -17.034 -1.264 1.00 0.00 O ATOM 946 CB ASN A 60 61.342 -18.482 -3.470 1.00 0.00 C ATOM 947 CG ASN A 60 61.808 -19.137 -4.766 1.00 0.00 C ATOM 948 OD1 ASN A 60 62.858 -18.784 -5.298 1.00 0.00 O ATOM 949 ND2 ASN A 60 61.082 -20.077 -5.308 1.00 0.00 N ATOM 0 H ASN A 60 63.346 -16.467 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 60 61.156 -16.473 -4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.794 -18.986 -2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.262 -18.587 -3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 60 61.386 -20.520 -6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.211 -20.368 -4.864 1.00 0.00 H new ATOM 956 N ILE A 61 61.825 -15.152 -1.897 1.00 0.00 N ATOM 957 CA ILE A 61 61.567 -14.468 -0.636 1.00 0.00 C ATOM 958 C ILE A 61 60.144 -14.739 -0.160 1.00 0.00 C ATOM 959 O ILE A 61 59.203 -14.736 -0.954 1.00 0.00 O ATOM 960 CB ILE A 61 61.773 -12.963 -0.806 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.265 -12.642 -0.710 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.020 -12.214 0.296 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.511 -11.210 -1.183 1.00 0.00 C ATOM 0 H ILE A 61 62.349 -14.604 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 61 62.265 -14.847 0.110 1.00 0.00 H new ATOM 0 HB ILE A 61 61.393 -12.652 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.608 -12.760 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.838 -13.341 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.168 -11.141 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.956 -12.443 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.399 -12.523 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.575 -10.982 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.184 -11.107 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 61 62.950 -10.518 -0.555 1.00 0.00 H new ATOM 975 N GLN A 62 59.992 -14.975 1.138 1.00 0.00 N ATOM 976 CA GLN A 62 58.677 -15.249 1.706 1.00 0.00 C ATOM 977 C GLN A 62 58.073 -13.981 2.300 1.00 0.00 C ATOM 978 O GLN A 62 58.753 -12.964 2.438 1.00 0.00 O ATOM 979 CB GLN A 62 58.789 -16.322 2.790 1.00 0.00 C ATOM 980 CG GLN A 62 59.094 -17.674 2.139 1.00 0.00 C ATOM 981 CD GLN A 62 57.857 -18.565 2.187 1.00 0.00 C ATOM 982 OE1 GLN A 62 57.467 -19.032 3.257 1.00 0.00 O ATOM 983 NE2 GLN A 62 57.214 -18.832 1.082 1.00 0.00 N ATOM 0 H GLN A 62 60.757 -14.982 1.813 1.00 0.00 H new ATOM 0 HA GLN A 62 58.026 -15.607 0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.577 -16.060 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 62 57.860 -16.380 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 62 59.407 -17.527 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 62 59.922 -18.158 2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 62 57.539 -18.444 0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 62 56.387 -19.429 1.105 1.00 0.00 H new ATOM 992 N LYS A 63 56.792 -14.050 2.650 1.00 0.00 N ATOM 993 CA LYS A 63 56.106 -12.899 3.227 1.00 0.00 C ATOM 994 C LYS A 63 56.541 -12.683 4.672 1.00 0.00 C ATOM 995 O LYS A 63 57.238 -13.514 5.252 1.00 0.00 O ATOM 996 CB LYS A 63 54.592 -13.117 3.174 1.00 0.00 C ATOM 997 CG LYS A 63 54.243 -14.448 3.842 1.00 0.00 C ATOM 998 CD LYS A 63 53.743 -15.433 2.785 1.00 0.00 C ATOM 999 CE LYS A 63 53.476 -16.791 3.437 1.00 0.00 C ATOM 1000 NZ LYS A 63 52.442 -17.524 2.654 1.00 0.00 N ATOM 0 H LYS A 63 56.212 -14.883 2.545 1.00 0.00 H new ATOM 0 HA LYS A 63 56.368 -12.014 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.078 -12.299 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.250 -13.117 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.119 -14.854 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 63 53.478 -14.296 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 52.831 -15.054 2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.483 -15.538 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.396 -17.373 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 63 53.139 -16.653 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 52.261 -18.447 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 51.562 -16.970 2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 52.780 -17.668 1.681 1.00 0.00 H new ATOM 1014 N GLU A 64 56.124 -11.559 5.246 1.00 0.00 N ATOM 1015 CA GLU A 64 56.475 -11.241 6.625 1.00 0.00 C ATOM 1016 C GLU A 64 57.985 -11.333 6.831 1.00 0.00 C ATOM 1017 O GLU A 64 58.456 -11.572 7.941 1.00 0.00 O ATOM 1018 CB GLU A 64 55.768 -12.203 7.581 1.00 0.00 C ATOM 1019 CG GLU A 64 54.279 -11.856 7.646 1.00 0.00 C ATOM 1020 CD GLU A 64 53.468 -13.103 7.982 1.00 0.00 C ATOM 1021 OE1 GLU A 64 53.210 -13.878 7.076 1.00 0.00 O ATOM 1022 OE2 GLU A 64 53.116 -13.263 9.138 1.00 0.00 O ATOM 0 H GLU A 64 55.547 -10.858 4.782 1.00 0.00 H new ATOM 0 HA GLU A 64 56.153 -10.221 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 64 55.898 -13.231 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 64 56.211 -12.137 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 64 54.109 -11.087 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 64 53.951 -11.445 6.691 1.00 0.00 H new ATOM 1029 N SER A 65 58.737 -11.141 5.750 1.00 0.00 N ATOM 1030 CA SER A 65 60.191 -11.205 5.824 1.00 0.00 C ATOM 1031 C SER A 65 60.775 -9.825 6.111 1.00 0.00 C ATOM 1032 O SER A 65 60.322 -8.821 5.561 1.00 0.00 O ATOM 1033 CB SER A 65 60.757 -11.734 4.505 1.00 0.00 C ATOM 1034 OG SER A 65 60.870 -13.150 4.578 1.00 0.00 O ATOM 0 H SER A 65 58.366 -10.942 4.821 1.00 0.00 H new ATOM 0 HA SER A 65 60.465 -11.879 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.107 -11.451 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.733 -11.289 4.310 1.00 0.00 H new ATOM 0 HG SER A 65 60.250 -13.561 3.940 1.00 0.00 H new ATOM 1040 N THR A 66 61.784 -9.782 6.976 1.00 0.00 N ATOM 1041 CA THR A 66 62.424 -8.519 7.327 1.00 0.00 C ATOM 1042 C THR A 66 63.571 -8.216 6.368 1.00 0.00 C ATOM 1043 O THR A 66 64.587 -8.911 6.359 1.00 0.00 O ATOM 1044 CB THR A 66 62.958 -8.583 8.759 1.00 0.00 C ATOM 1045 OG1 THR A 66 62.033 -9.288 9.577 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.144 -7.165 9.300 1.00 0.00 C ATOM 0 H THR A 66 62.174 -10.601 7.444 1.00 0.00 H new ATOM 0 HA THR A 66 61.682 -7.724 7.252 1.00 0.00 H new ATOM 0 HB THR A 66 63.917 -9.100 8.767 1.00 0.00 H new ATOM 0 HG1 THR A 66 62.375 -9.331 10.495 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.524 -7.212 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.854 -6.626 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.186 -6.645 9.293 1.00 0.00 H new ATOM 1054 N LEU A 67 63.400 -7.174 5.561 1.00 0.00 N ATOM 1055 CA LEU A 67 64.423 -6.786 4.600 1.00 0.00 C ATOM 1056 C LEU A 67 65.328 -5.709 5.188 1.00 0.00 C ATOM 1057 O LEU A 67 64.871 -4.835 5.925 1.00 0.00 O ATOM 1058 CB LEU A 67 63.762 -6.261 3.324 1.00 0.00 C ATOM 1059 CG LEU A 67 63.793 -7.344 2.245 1.00 0.00 C ATOM 1060 CD1 LEU A 67 63.071 -8.594 2.753 1.00 0.00 C ATOM 1061 CD2 LEU A 67 63.097 -6.832 0.983 1.00 0.00 C ATOM 0 H LEU A 67 62.566 -6.586 5.554 1.00 0.00 H new ATOM 0 HA LEU A 67 65.028 -7.661 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 67 62.732 -5.969 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.282 -5.370 2.973 1.00 0.00 H new ATOM 0 HG LEU A 67 64.829 -7.591 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 67 63.094 -9.365 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 67 63.568 -8.962 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.036 -8.346 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 67 63.120 -7.605 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 67 62.062 -6.582 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 67 63.612 -5.943 0.618 1.00 0.00 H new ATOM 1073 N HIS A 68 66.615 -5.777 4.861 1.00 0.00 N ATOM 1074 CA HIS A 68 67.573 -4.801 5.364 1.00 0.00 C ATOM 1075 C HIS A 68 67.834 -3.722 4.318 1.00 0.00 C ATOM 1076 O HIS A 68 68.536 -3.953 3.333 1.00 0.00 O ATOM 1077 CB HIS A 68 68.888 -5.498 5.723 1.00 0.00 C ATOM 1078 CG HIS A 68 68.666 -6.411 6.897 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.160 -7.693 6.752 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.877 -6.242 8.244 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.084 -8.241 7.978 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.509 -7.400 8.923 1.00 0.00 N ATOM 0 H HIS A 68 67.015 -6.493 4.254 1.00 0.00 H new ATOM 0 HA HIS A 68 67.156 -4.333 6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.255 -6.068 4.869 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.651 -4.758 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.269 -5.347 8.705 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.723 -9.240 8.174 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.554 -7.570 9.928 1.00 0.00 H new ATOM 1090 N LEU A 69 67.260 -2.543 4.538 1.00 0.00 N ATOM 1091 CA LEU A 69 67.433 -1.433 3.606 1.00 0.00 C ATOM 1092 C LEU A 69 68.620 -0.569 4.021 1.00 0.00 C ATOM 1093 O LEU A 69 68.568 0.127 5.036 1.00 0.00 O ATOM 1094 CB LEU A 69 66.155 -0.586 3.569 1.00 0.00 C ATOM 1095 CG LEU A 69 66.399 0.720 2.800 1.00 0.00 C ATOM 1096 CD1 LEU A 69 67.059 0.419 1.452 1.00 0.00 C ATOM 1097 CD2 LEU A 69 65.060 1.419 2.558 1.00 0.00 C ATOM 0 H LEU A 69 66.675 -2.332 5.347 1.00 0.00 H new ATOM 0 HA LEU A 69 67.628 -1.835 2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.351 -1.150 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 69 65.831 -0.362 4.585 1.00 0.00 H new ATOM 0 HG LEU A 69 67.056 1.363 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 69 67.228 1.351 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 69 68.012 -0.083 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.407 -0.227 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.228 2.347 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.410 0.767 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.587 1.641 3.515 1.00 0.00 H new ATOM 1109 N VAL A 70 69.681 -0.616 3.222 1.00 0.00 N ATOM 1110 CA VAL A 70 70.879 0.170 3.500 1.00 0.00 C ATOM 1111 C VAL A 70 71.068 1.241 2.436 1.00 0.00 C ATOM 1112 O VAL A 70 70.794 1.015 1.257 1.00 0.00 O ATOM 1113 CB VAL A 70 72.107 -0.742 3.536 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.190 -0.107 4.409 1.00 0.00 C ATOM 1115 CG2 VAL A 70 71.716 -2.102 4.124 1.00 0.00 C ATOM 0 H VAL A 70 69.736 -1.188 2.379 1.00 0.00 H new ATOM 0 HA VAL A 70 70.760 0.652 4.470 1.00 0.00 H new ATOM 0 HB VAL A 70 72.487 -0.877 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.065 -0.757 4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.470 0.862 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 70 72.809 0.028 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 70 72.590 -2.752 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.336 -1.965 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 70 70.943 -2.558 3.505 1.00 0.00 H new ATOM 1125 N LEU A 71 71.531 2.409 2.866 1.00 0.00 N ATOM 1126 CA LEU A 71 71.753 3.525 1.955 1.00 0.00 C ATOM 1127 C LEU A 71 73.216 3.975 2.032 1.00 0.00 C ATOM 1128 O LEU A 71 73.785 4.096 3.117 1.00 0.00 O ATOM 1129 CB LEU A 71 70.750 4.650 2.291 1.00 0.00 C ATOM 1130 CG LEU A 71 71.431 5.888 2.880 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.169 6.643 1.775 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.359 6.805 3.471 1.00 0.00 C ATOM 0 H LEU A 71 71.760 2.608 3.840 1.00 0.00 H new ATOM 0 HA LEU A 71 71.576 3.228 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 71 70.210 4.932 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 71 70.012 4.274 2.999 1.00 0.00 H new ATOM 0 HG LEU A 71 72.139 5.584 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.653 7.524 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.923 5.993 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.459 6.952 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 71 70.831 7.691 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.663 7.104 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.817 6.274 4.254 1.00 0.00 H new ATOM 1144 N ARG A 72 73.826 4.184 0.867 1.00 0.00 N ATOM 1145 CA ARG A 72 75.230 4.587 0.805 1.00 0.00 C ATOM 1146 C ARG A 72 75.388 6.077 1.084 1.00 0.00 C ATOM 1147 O ARG A 72 75.193 6.907 0.196 1.00 0.00 O ATOM 1148 CB ARG A 72 75.805 4.264 -0.576 1.00 0.00 C ATOM 1149 CG ARG A 72 76.650 2.990 -0.501 1.00 0.00 C ATOM 1150 CD ARG A 72 75.777 1.826 -0.033 1.00 0.00 C ATOM 1151 NE ARG A 72 76.165 1.406 1.308 1.00 0.00 N ATOM 1152 CZ ARG A 72 77.369 0.897 1.548 1.00 0.00 C ATOM 1153 NH1 ARG A 72 77.689 0.521 2.756 1.00 0.00 N ATOM 1154 NH2 ARG A 72 78.230 0.772 0.576 1.00 0.00 N ATOM 0 H ARG A 72 73.374 4.082 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 72 75.773 4.032 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 72 74.996 4.133 -1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 72 76.415 5.095 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 72 77.079 2.767 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 72 77.483 3.133 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 72 74.729 2.124 -0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 72 75.874 0.989 -0.725 1.00 0.00 H new ATOM 0 HE ARG A 72 75.501 1.505 2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 72 77.015 0.618 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 72 78.613 0.130 2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 72 77.979 1.065 -0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 72 79.154 0.381 0.760 1.00 0.00 H new ATOM 1168 N LEU A 73 75.744 6.408 2.320 1.00 0.00 N ATOM 1169 CA LEU A 73 75.929 7.802 2.703 1.00 0.00 C ATOM 1170 C LEU A 73 76.958 8.472 1.799 1.00 0.00 C ATOM 1171 O LEU A 73 78.102 8.028 1.711 1.00 0.00 O ATOM 1172 CB LEU A 73 76.396 7.884 4.159 1.00 0.00 C ATOM 1173 CG LEU A 73 75.269 8.443 5.030 1.00 0.00 C ATOM 1174 CD1 LEU A 73 75.640 8.287 6.506 1.00 0.00 C ATOM 1175 CD2 LEU A 73 75.064 9.927 4.713 1.00 0.00 C ATOM 0 H LEU A 73 75.909 5.735 3.069 1.00 0.00 H new ATOM 0 HA LEU A 73 74.976 8.320 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 73 76.687 6.895 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.277 8.522 4.233 1.00 0.00 H new ATOM 0 HG LEU A 73 74.349 7.896 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 73 74.837 8.685 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 73 75.786 7.231 6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 73 76.561 8.833 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 73 74.261 10.324 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 73 75.985 10.473 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 73 74.800 10.041 3.662 1.00 0.00 H new ATOM 1187 N ARG A 74 76.543 9.542 1.128 1.00 0.00 N ATOM 1188 CA ARG A 74 77.440 10.262 0.232 1.00 0.00 C ATOM 1189 C ARG A 74 78.251 11.298 1.003 1.00 0.00 C ATOM 1190 O ARG A 74 77.706 12.281 1.503 1.00 0.00 O ATOM 1191 CB ARG A 74 76.634 10.957 -0.867 1.00 0.00 C ATOM 1192 CG ARG A 74 75.193 11.161 -0.393 1.00 0.00 C ATOM 1193 CD ARG A 74 74.502 12.190 -1.290 1.00 0.00 C ATOM 1194 NE ARG A 74 74.873 13.541 -0.886 1.00 0.00 N ATOM 1195 CZ ARG A 74 74.660 14.579 -1.688 1.00 0.00 C ATOM 1196 NH1 ARG A 74 74.999 15.779 -1.302 1.00 0.00 N ATOM 1197 NH2 ARG A 74 74.114 14.400 -2.859 1.00 0.00 N ATOM 0 H ARG A 74 75.600 9.927 1.187 1.00 0.00 H new ATOM 0 HA ARG A 74 78.125 9.544 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 74 77.087 11.918 -1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 74 76.647 10.357 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 74 74.652 10.215 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 74 75.184 11.501 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 74 74.783 12.024 -2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 74 73.421 12.068 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 74 75.303 13.692 0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 74 75.426 15.919 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 74 74.836 16.577 -1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 74 73.850 13.462 -3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 74 73.951 15.198 -3.473 1.00 0.00 H new ATOM 1211 N GLY A 75 79.557 11.069 1.094 1.00 0.00 N ATOM 1212 CA GLY A 75 80.436 11.991 1.806 1.00 0.00 C ATOM 1213 C GLY A 75 80.287 11.830 3.315 1.00 0.00 C ATOM 1214 O GLY A 75 79.184 11.623 3.821 1.00 0.00 O ATOM 0 H GLY A 75 80.027 10.260 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 75 81.471 11.809 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 75 80.201 13.017 1.521 1.00 0.00 H new ATOM 1218 N GLY A 76 81.404 11.925 4.028 1.00 0.00 N ATOM 1219 CA GLY A 76 81.387 11.787 5.479 1.00 0.00 C ATOM 1220 C GLY A 76 80.184 12.506 6.081 1.00 0.00 C ATOM 1221 O GLY A 76 80.289 13.699 6.316 1.00 0.00 O ATOM 1222 OXT GLY A 76 79.177 11.854 6.296 1.00 0.00 O ATOM 0 H GLY A 76 82.327 12.096 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 76 81.356 10.731 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 76 82.307 12.196 5.898 1.00 0.00 H new TER 1226 GLY A 76