USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 545 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 76 MET CE :methyl 169:sc= 0 (180deg=-0.119) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 81 SER OG : rot -16:sc= 0.174 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.291 F(o=-1.1!,f=-0.29) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 107 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.25) USER MOD Single : A 109 MET CE :methyl 155:sc= -0.0164 (180deg=-0.655) USER MOD Single : A 110 THR OG1 : rot 29:sc= 1.2 USER MOD Single : A 111 ASN : amide:sc=-0.00496 X(o=-0.005,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 130:sc= -1.56 USER MOD Single : A 124 MET CE :methyl 153:sc= -0.169 (180deg=-0.441) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.004 F(o=-0.79,f=-0.004) USER MOD Single : A 137 ASN : amide:sc= -4.34! C(o=-4.3!,f=-9.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.11) USER MOD Single : A 144 MET CE :methyl 161:sc= -4.75! (180deg=-5.24!) USER MOD Single : A 145 MET CE :methyl 169:sc= -0.168 (180deg=-0.751) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -27.419 -4.246 8.064 1.00 0.00 N ATOM 2 CA MET A 76 -26.762 -5.427 7.440 1.00 0.00 C ATOM 3 C MET A 76 -25.539 -5.825 8.268 1.00 0.00 C ATOM 4 O MET A 76 -25.334 -5.338 9.362 1.00 0.00 O ATOM 5 CB MET A 76 -26.325 -5.075 6.016 1.00 0.00 C ATOM 6 CG MET A 76 -26.881 -6.115 5.042 1.00 0.00 C ATOM 7 SD MET A 76 -27.593 -5.276 3.603 1.00 0.00 S ATOM 8 CE MET A 76 -26.042 -4.662 2.903 1.00 0.00 C ATOM 0 HA MET A 76 -27.464 -6.260 7.407 1.00 0.00 H new ATOM 0 HB2 MET A 76 -26.685 -4.081 5.749 1.00 0.00 H new ATOM 0 HB3 MET A 76 -25.237 -5.048 5.954 1.00 0.00 H new ATOM 0 HG2 MET A 76 -26.088 -6.793 4.726 1.00 0.00 H new ATOM 0 HG3 MET A 76 -27.641 -6.721 5.535 1.00 0.00 H new ATOM 0 HE1 MET A 76 -26.223 -4.276 1.900 1.00 0.00 H new ATOM 0 HE2 MET A 76 -25.649 -3.864 3.533 1.00 0.00 H new ATOM 0 HE3 MET A 76 -25.318 -5.475 2.854 1.00 0.00 H new ATOM 20 N LYS A 77 -24.726 -6.708 7.758 1.00 0.00 N ATOM 21 CA LYS A 77 -23.520 -7.136 8.520 1.00 0.00 C ATOM 22 C LYS A 77 -22.375 -7.431 7.550 1.00 0.00 C ATOM 23 O LYS A 77 -22.586 -7.661 6.377 1.00 0.00 O ATOM 24 CB LYS A 77 -23.850 -8.397 9.322 1.00 0.00 C ATOM 25 CG LYS A 77 -24.149 -8.015 10.774 1.00 0.00 C ATOM 26 CD LYS A 77 -23.530 -9.054 11.713 1.00 0.00 C ATOM 27 CE LYS A 77 -24.317 -10.362 11.617 1.00 0.00 C ATOM 28 NZ LYS A 77 -24.388 -11.003 12.961 1.00 0.00 N ATOM 0 H LYS A 77 -24.845 -7.151 6.847 1.00 0.00 H new ATOM 0 HA LYS A 77 -23.218 -6.339 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -24.709 -8.905 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -23.014 -9.095 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -23.745 -7.026 10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -25.226 -7.962 10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.487 -9.225 11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.541 -8.685 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.322 -10.167 11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.837 -11.035 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.923 -11.892 12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.426 -11.203 13.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.864 -10.362 13.627 1.00 0.00 H new ATOM 42 N ASP A 78 -21.163 -7.427 8.033 1.00 0.00 N ATOM 43 CA ASP A 78 -20.005 -7.709 7.141 1.00 0.00 C ATOM 44 C ASP A 78 -20.161 -6.930 5.834 1.00 0.00 C ATOM 45 O ASP A 78 -20.704 -7.423 4.866 1.00 0.00 O ATOM 46 CB ASP A 78 -19.954 -9.207 6.836 1.00 0.00 C ATOM 47 CG ASP A 78 -18.759 -9.501 5.928 1.00 0.00 C ATOM 48 OD1 ASP A 78 -17.640 -9.319 6.377 1.00 0.00 O ATOM 49 OD2 ASP A 78 -18.983 -9.904 4.798 1.00 0.00 O ATOM 0 H ASP A 78 -20.925 -7.240 9.007 1.00 0.00 H new ATOM 0 HA ASP A 78 -19.083 -7.403 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -19.869 -9.775 7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -20.878 -9.522 6.352 1.00 0.00 H new ATOM 54 N THR A 79 -19.686 -5.715 5.797 1.00 0.00 N ATOM 55 CA THR A 79 -19.806 -4.908 4.550 1.00 0.00 C ATOM 56 C THR A 79 -19.255 -5.711 3.371 1.00 0.00 C ATOM 57 O THR A 79 -18.273 -6.416 3.491 1.00 0.00 O ATOM 58 CB THR A 79 -19.009 -3.611 4.702 1.00 0.00 C ATOM 59 OG1 THR A 79 -18.146 -3.718 5.829 1.00 0.00 O ATOM 60 CG2 THR A 79 -19.974 -2.440 4.896 1.00 0.00 C ATOM 0 H THR A 79 -19.221 -5.247 6.575 1.00 0.00 H new ATOM 0 HA THR A 79 -20.854 -4.669 4.370 1.00 0.00 H new ATOM 0 HB THR A 79 -18.412 -3.439 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.633 -2.889 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 79 -19.407 -1.515 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 79 -20.631 -2.363 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 79 -20.572 -2.606 5.792 1.00 0.00 H new ATOM 68 N ASP A 80 -19.884 -5.612 2.232 1.00 0.00 N ATOM 69 CA ASP A 80 -19.404 -6.370 1.042 1.00 0.00 C ATOM 70 C ASP A 80 -17.883 -6.232 0.916 1.00 0.00 C ATOM 71 O ASP A 80 -17.132 -6.957 1.538 1.00 0.00 O ATOM 72 CB ASP A 80 -20.068 -5.807 -0.215 1.00 0.00 C ATOM 73 CG ASP A 80 -21.388 -6.540 -0.469 1.00 0.00 C ATOM 74 OD1 ASP A 80 -22.358 -6.221 0.199 1.00 0.00 O ATOM 75 OD2 ASP A 80 -21.406 -7.406 -1.328 1.00 0.00 O ATOM 0 H ASP A 80 -20.712 -5.037 2.074 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.661 -7.423 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.250 -4.739 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.405 -5.923 -1.072 1.00 0.00 H new ATOM 80 N SER A 81 -17.423 -5.311 0.111 1.00 0.00 N ATOM 81 CA SER A 81 -15.953 -5.134 -0.055 1.00 0.00 C ATOM 82 C SER A 81 -15.660 -3.814 -0.778 1.00 0.00 C ATOM 83 O SER A 81 -14.606 -3.638 -1.356 1.00 0.00 O ATOM 84 CB SER A 81 -15.394 -6.295 -0.877 1.00 0.00 C ATOM 85 OG SER A 81 -15.666 -7.518 -0.208 1.00 0.00 O ATOM 0 H SER A 81 -18.002 -4.675 -0.438 1.00 0.00 H new ATOM 0 HA SER A 81 -15.482 -5.115 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.844 -6.302 -1.870 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.320 -6.174 -1.015 1.00 0.00 H new ATOM 0 HG SER A 81 -15.905 -7.335 0.724 1.00 0.00 H new ATOM 91 N GLU A 82 -16.578 -2.884 -0.753 1.00 0.00 N ATOM 92 CA GLU A 82 -16.339 -1.585 -1.442 1.00 0.00 C ATOM 93 C GLU A 82 -15.686 -0.608 -0.472 1.00 0.00 C ATOM 94 O GLU A 82 -14.775 0.120 -0.815 1.00 0.00 O ATOM 95 CB GLU A 82 -17.672 -1.016 -1.927 1.00 0.00 C ATOM 96 CG GLU A 82 -18.564 -0.713 -0.722 1.00 0.00 C ATOM 97 CD GLU A 82 -20.024 -0.642 -1.172 1.00 0.00 C ATOM 98 OE1 GLU A 82 -20.254 -0.616 -2.370 1.00 0.00 O ATOM 99 OE2 GLU A 82 -20.888 -0.618 -0.310 1.00 0.00 O ATOM 0 H GLU A 82 -17.481 -2.969 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.679 -1.740 -2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.503 -0.108 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -18.165 -1.729 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.444 -1.486 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -18.267 0.231 -0.265 1.00 0.00 H new ATOM 106 N GLU A 83 -16.147 -0.593 0.738 1.00 0.00 N ATOM 107 CA GLU A 83 -15.567 0.325 1.750 1.00 0.00 C ATOM 108 C GLU A 83 -14.426 -0.389 2.476 1.00 0.00 C ATOM 109 O GLU A 83 -13.631 0.223 3.161 1.00 0.00 O ATOM 110 CB GLU A 83 -16.647 0.732 2.757 1.00 0.00 C ATOM 111 CG GLU A 83 -17.476 1.881 2.179 1.00 0.00 C ATOM 112 CD GLU A 83 -17.839 2.862 3.294 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.769 2.576 4.029 1.00 0.00 O ATOM 114 OE2 GLU A 83 -17.179 3.884 3.395 1.00 0.00 O ATOM 0 H GLU A 83 -16.908 -1.182 1.076 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.185 1.220 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.291 -0.119 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -16.187 1.038 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.912 2.393 1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.382 1.492 1.714 1.00 0.00 H new ATOM 121 N GLU A 84 -14.344 -1.685 2.335 1.00 0.00 N ATOM 122 CA GLU A 84 -13.258 -2.441 3.024 1.00 0.00 C ATOM 123 C GLU A 84 -11.887 -1.897 2.602 1.00 0.00 C ATOM 124 O GLU A 84 -11.029 -1.650 3.426 1.00 0.00 O ATOM 125 CB GLU A 84 -13.357 -3.923 2.655 1.00 0.00 C ATOM 126 CG GLU A 84 -12.866 -4.773 3.828 1.00 0.00 C ATOM 127 CD GLU A 84 -11.379 -5.080 3.645 1.00 0.00 C ATOM 128 OE1 GLU A 84 -11.050 -5.781 2.702 1.00 0.00 O ATOM 129 OE2 GLU A 84 -10.593 -4.609 4.451 1.00 0.00 O ATOM 0 H GLU A 84 -14.980 -2.252 1.774 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.369 -2.323 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.388 -4.180 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.759 -4.129 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.027 -4.244 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.436 -5.700 3.883 1.00 0.00 H new ATOM 136 N ILE A 85 -11.671 -1.716 1.326 1.00 0.00 N ATOM 137 CA ILE A 85 -10.352 -1.197 0.855 1.00 0.00 C ATOM 138 C ILE A 85 -10.137 0.231 1.359 1.00 0.00 C ATOM 139 O ILE A 85 -9.037 0.617 1.695 1.00 0.00 O ATOM 140 CB ILE A 85 -10.325 -1.202 -0.673 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.742 -2.577 -1.184 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.912 -0.881 -1.161 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.828 -2.417 -2.248 1.00 0.00 C ATOM 0 H ILE A 85 -12.350 -1.905 0.589 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.558 -1.835 1.244 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.017 -0.449 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.881 -3.098 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.112 -3.186 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.894 -0.885 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.616 0.103 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.218 -1.632 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -12.127 -3.399 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.692 -1.914 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.441 -1.824 -3.076 1.00 0.00 H new ATOM 155 N ARG A 86 -11.174 1.022 1.410 1.00 0.00 N ATOM 156 CA ARG A 86 -11.010 2.423 1.892 1.00 0.00 C ATOM 157 C ARG A 86 -10.266 2.416 3.227 1.00 0.00 C ATOM 158 O ARG A 86 -9.497 3.308 3.526 1.00 0.00 O ATOM 159 CB ARG A 86 -12.386 3.065 2.083 1.00 0.00 C ATOM 160 CG ARG A 86 -12.716 3.946 0.878 1.00 0.00 C ATOM 161 CD ARG A 86 -13.521 5.163 1.341 1.00 0.00 C ATOM 162 NE ARG A 86 -12.656 6.049 2.172 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.157 7.140 1.658 1.00 0.00 C ATOM 164 NH1 ARG A 86 -12.942 8.137 1.355 1.00 0.00 N ATOM 165 NH2 ARG A 86 -10.873 7.236 1.451 1.00 0.00 N ATOM 0 H ARG A 86 -12.122 0.761 1.140 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.442 2.994 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.146 2.292 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.396 3.661 2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.798 4.269 0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.286 3.377 0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.898 5.712 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.388 4.840 1.917 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.455 5.803 3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.946 8.064 1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.552 8.990 0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.258 6.458 1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.484 8.089 1.049 1.00 0.00 H new ATOM 179 N GLU A 87 -10.491 1.416 4.033 1.00 0.00 N ATOM 180 CA GLU A 87 -9.799 1.354 5.352 1.00 0.00 C ATOM 181 C GLU A 87 -8.451 0.653 5.195 1.00 0.00 C ATOM 182 O GLU A 87 -7.430 1.175 5.587 1.00 0.00 O ATOM 183 CB GLU A 87 -10.668 0.585 6.351 1.00 0.00 C ATOM 184 CG GLU A 87 -12.116 1.067 6.244 1.00 0.00 C ATOM 185 CD GLU A 87 -12.761 1.055 7.630 1.00 0.00 C ATOM 186 OE1 GLU A 87 -12.223 1.697 8.518 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.783 0.404 7.781 1.00 0.00 O ATOM 0 H GLU A 87 -11.123 0.640 3.836 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.635 2.366 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.614 -0.485 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.297 0.737 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.146 2.073 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.676 0.423 5.565 1.00 0.00 H new ATOM 194 N ALA A 88 -8.432 -0.522 4.621 1.00 0.00 N ATOM 195 CA ALA A 88 -7.137 -1.234 4.441 1.00 0.00 C ATOM 196 C ALA A 88 -6.101 -0.239 3.925 1.00 0.00 C ATOM 197 O ALA A 88 -4.916 -0.385 4.147 1.00 0.00 O ATOM 198 CB ALA A 88 -7.310 -2.371 3.430 1.00 0.00 C ATOM 0 H ALA A 88 -9.254 -1.015 4.272 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.808 -1.654 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.360 -2.890 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.060 -3.072 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.633 -1.961 2.473 1.00 0.00 H new ATOM 204 N PHE A 89 -6.545 0.782 3.245 1.00 0.00 N ATOM 205 CA PHE A 89 -5.599 1.795 2.723 1.00 0.00 C ATOM 206 C PHE A 89 -4.892 2.477 3.883 1.00 0.00 C ATOM 207 O PHE A 89 -3.682 2.479 3.973 1.00 0.00 O ATOM 208 CB PHE A 89 -6.351 2.854 1.927 1.00 0.00 C ATOM 209 CG PHE A 89 -5.358 3.906 1.518 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.475 3.643 0.473 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.301 5.126 2.197 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.533 4.599 0.093 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.358 6.090 1.821 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.472 5.825 0.767 1.00 0.00 C ATOM 0 H PHE A 89 -7.527 0.955 3.030 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.875 1.296 2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.822 2.411 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.147 3.292 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.520 2.696 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.983 5.325 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.852 4.394 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.313 7.035 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.743 6.566 0.475 1.00 0.00 H new ATOM 224 N ARG A 90 -5.639 3.068 4.768 1.00 0.00 N ATOM 225 CA ARG A 90 -5.013 3.763 5.924 1.00 0.00 C ATOM 226 C ARG A 90 -4.223 2.750 6.745 1.00 0.00 C ATOM 227 O ARG A 90 -3.207 3.069 7.331 1.00 0.00 O ATOM 228 CB ARG A 90 -6.100 4.398 6.787 1.00 0.00 C ATOM 229 CG ARG A 90 -5.941 5.918 6.769 1.00 0.00 C ATOM 230 CD ARG A 90 -6.629 6.519 7.995 1.00 0.00 C ATOM 231 NE ARG A 90 -5.671 6.547 9.137 1.00 0.00 N ATOM 232 CZ ARG A 90 -5.921 7.292 10.178 1.00 0.00 C ATOM 233 NH1 ARG A 90 -7.148 7.643 10.451 1.00 0.00 N ATOM 234 NH2 ARG A 90 -4.944 7.683 10.950 1.00 0.00 N ATOM 0 H ARG A 90 -6.658 3.100 4.742 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.342 4.544 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.085 4.120 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.031 4.026 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.884 6.183 6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.375 6.329 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.976 7.528 7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.508 5.930 8.258 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.821 5.984 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.912 7.335 9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.343 8.226 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.985 7.406 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.139 8.266 11.764 1.00 0.00 H new ATOM 248 N VAL A 91 -4.666 1.522 6.779 1.00 0.00 N ATOM 249 CA VAL A 91 -3.920 0.491 7.545 1.00 0.00 C ATOM 250 C VAL A 91 -2.441 0.624 7.187 1.00 0.00 C ATOM 251 O VAL A 91 -1.566 0.456 8.012 1.00 0.00 O ATOM 252 CB VAL A 91 -4.432 -0.897 7.157 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.565 -1.972 7.811 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.877 -1.056 7.633 1.00 0.00 C ATOM 0 H VAL A 91 -5.510 1.192 6.310 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.060 0.626 8.617 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.386 -1.006 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.935 -2.958 7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.534 -1.862 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.607 -1.863 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.244 -2.045 7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.918 -0.943 8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.500 -0.294 7.165 1.00 0.00 H new ATOM 264 N PHE A 92 -2.169 0.955 5.955 1.00 0.00 N ATOM 265 CA PHE A 92 -0.762 1.140 5.512 1.00 0.00 C ATOM 266 C PHE A 92 -0.358 2.587 5.794 1.00 0.00 C ATOM 267 O PHE A 92 0.685 2.860 6.353 1.00 0.00 O ATOM 268 CB PHE A 92 -0.666 0.874 4.011 1.00 0.00 C ATOM 269 CG PHE A 92 -0.726 -0.611 3.762 1.00 0.00 C ATOM 270 CD1 PHE A 92 -1.923 -1.303 3.964 1.00 0.00 C ATOM 271 CD2 PHE A 92 0.413 -1.291 3.326 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.981 -2.682 3.729 1.00 0.00 C ATOM 273 CE2 PHE A 92 0.358 -2.670 3.089 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.841 -3.365 3.291 1.00 0.00 C ATOM 0 H PHE A 92 -2.870 1.106 5.230 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.104 0.452 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.481 1.375 3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.264 1.283 3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.803 -0.775 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.337 -0.753 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.905 -3.218 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.238 -3.197 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.886 -4.429 3.109 1.00 0.00 H new ATOM 284 N ASP A 93 -1.194 3.513 5.412 1.00 0.00 N ATOM 285 CA ASP A 93 -0.892 4.949 5.652 1.00 0.00 C ATOM 286 C ASP A 93 -1.063 5.252 7.143 1.00 0.00 C ATOM 287 O ASP A 93 -2.141 5.131 7.691 1.00 0.00 O ATOM 288 CB ASP A 93 -1.861 5.805 4.832 1.00 0.00 C ATOM 289 CG ASP A 93 -1.483 7.280 4.969 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.783 7.608 5.914 1.00 0.00 O ATOM 291 OD2 ASP A 93 -1.897 8.059 4.125 1.00 0.00 O ATOM 0 H ASP A 93 -2.080 3.333 4.940 1.00 0.00 H new ATOM 0 HA ASP A 93 0.132 5.174 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.829 5.507 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.883 5.647 5.177 1.00 0.00 H new ATOM 296 N LYS A 94 -0.007 5.632 7.808 1.00 0.00 N ATOM 297 CA LYS A 94 -0.112 5.926 9.262 1.00 0.00 C ATOM 298 C LYS A 94 -0.460 7.392 9.476 1.00 0.00 C ATOM 299 O LYS A 94 -1.037 7.763 10.479 1.00 0.00 O ATOM 300 CB LYS A 94 1.217 5.612 9.939 1.00 0.00 C ATOM 301 CG LYS A 94 1.549 4.130 9.755 1.00 0.00 C ATOM 302 CD LYS A 94 1.447 3.413 11.104 1.00 0.00 C ATOM 303 CE LYS A 94 2.805 2.811 11.467 1.00 0.00 C ATOM 304 NZ LYS A 94 3.293 3.419 12.736 1.00 0.00 N ATOM 0 H LYS A 94 0.923 5.751 7.406 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.899 5.309 9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.009 6.228 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.162 5.854 11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.863 3.679 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.554 4.019 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.130 4.113 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.691 2.629 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.718 1.730 11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.521 2.992 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.217 3.010 12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.391 4.447 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.613 3.225 13.498 1.00 0.00 H new ATOM 318 N ASP A 95 -0.128 8.231 8.543 1.00 0.00 N ATOM 319 CA ASP A 95 -0.455 9.671 8.700 1.00 0.00 C ATOM 320 C ASP A 95 -1.932 9.886 8.361 1.00 0.00 C ATOM 321 O ASP A 95 -2.422 10.997 8.380 1.00 0.00 O ATOM 322 CB ASP A 95 0.417 10.501 7.755 1.00 0.00 C ATOM 323 CG ASP A 95 0.441 9.845 6.373 1.00 0.00 C ATOM 324 OD1 ASP A 95 -0.540 9.976 5.659 1.00 0.00 O ATOM 325 OD2 ASP A 95 1.441 9.223 6.052 1.00 0.00 O ATOM 0 H ASP A 95 0.355 7.984 7.679 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.265 9.983 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.027 11.516 7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.430 10.577 8.151 1.00 0.00 H new ATOM 330 N GLY A 96 -2.643 8.823 8.059 1.00 0.00 N ATOM 331 CA GLY A 96 -4.094 8.950 7.722 1.00 0.00 C ATOM 332 C GLY A 96 -4.336 10.231 6.922 1.00 0.00 C ATOM 333 O GLY A 96 -5.233 10.996 7.215 1.00 0.00 O ATOM 0 H GLY A 96 -2.277 7.871 8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.419 8.084 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.688 8.965 8.636 1.00 0.00 H new ATOM 337 N ASN A 97 -3.540 10.477 5.918 1.00 0.00 N ATOM 338 CA ASN A 97 -3.727 11.714 5.110 1.00 0.00 C ATOM 339 C ASN A 97 -4.289 11.352 3.732 1.00 0.00 C ATOM 340 O ASN A 97 -5.126 12.048 3.193 1.00 0.00 O ATOM 341 CB ASN A 97 -2.379 12.420 4.949 1.00 0.00 C ATOM 342 CG ASN A 97 -2.502 13.520 3.896 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.431 13.206 2.632 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 -2.663 14.678 4.226 1.00 0.00 N flip ATOM 0 H ASN A 97 -2.770 9.876 5.623 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.428 12.378 5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.064 12.847 5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.614 11.702 4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.719 14.924 5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.743 15.405 3.515 1.00 0.00 H new ATOM 351 N GLY A 98 -3.839 10.269 3.158 1.00 0.00 N ATOM 352 CA GLY A 98 -4.356 9.869 1.818 1.00 0.00 C ATOM 353 C GLY A 98 -3.223 9.267 0.987 1.00 0.00 C ATOM 354 O GLY A 98 -3.444 8.706 -0.067 1.00 0.00 O ATOM 0 H GLY A 98 -3.138 9.646 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.162 9.144 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.775 10.735 1.306 1.00 0.00 H new ATOM 358 N TYR A 99 -2.009 9.383 1.448 1.00 0.00 N ATOM 359 CA TYR A 99 -0.870 8.824 0.679 1.00 0.00 C ATOM 360 C TYR A 99 0.008 7.970 1.594 1.00 0.00 C ATOM 361 O TYR A 99 0.091 8.199 2.785 1.00 0.00 O ATOM 362 CB TYR A 99 -0.044 9.971 0.106 1.00 0.00 C ATOM 363 CG TYR A 99 -0.242 10.039 -1.389 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.520 10.267 -1.917 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.851 9.879 -2.246 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.701 10.332 -3.302 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.670 9.943 -3.630 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.606 10.170 -4.160 1.00 0.00 C ATOM 369 OH TYR A 99 -0.784 10.235 -5.527 1.00 0.00 O ATOM 0 H TYR A 99 -1.759 9.841 2.324 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.250 8.201 -0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.343 10.913 0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.011 9.824 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.364 10.392 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.836 9.706 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.685 10.507 -3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.515 9.817 -4.291 1.00 0.00 H new ATOM 0 HH TYR A 99 0.077 10.103 -5.976 1.00 0.00 H new ATOM 379 N ILE A 100 0.662 6.983 1.048 1.00 0.00 N ATOM 380 CA ILE A 100 1.532 6.111 1.878 1.00 0.00 C ATOM 381 C ILE A 100 2.992 6.303 1.457 1.00 0.00 C ATOM 382 O ILE A 100 3.298 6.448 0.289 1.00 0.00 O ATOM 383 CB ILE A 100 1.119 4.658 1.663 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.330 4.478 2.145 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.047 3.739 2.466 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.942 3.223 1.523 1.00 0.00 C ATOM 0 H ILE A 100 0.630 6.743 0.057 1.00 0.00 H new ATOM 0 HA ILE A 100 1.427 6.370 2.932 1.00 0.00 H new ATOM 0 HB ILE A 100 1.191 4.403 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.352 4.402 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.922 5.352 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.752 2.701 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.075 3.878 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.974 3.984 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.968 3.107 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.937 3.316 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.358 2.350 1.816 1.00 0.00 H new ATOM 398 N SER A 101 3.894 6.311 2.400 1.00 0.00 N ATOM 399 CA SER A 101 5.332 6.500 2.058 1.00 0.00 C ATOM 400 C SER A 101 6.047 5.147 2.058 1.00 0.00 C ATOM 401 O SER A 101 5.445 4.115 2.283 1.00 0.00 O ATOM 402 CB SER A 101 5.980 7.415 3.098 1.00 0.00 C ATOM 403 OG SER A 101 5.387 7.173 4.368 1.00 0.00 O ATOM 0 H SER A 101 3.697 6.195 3.394 1.00 0.00 H new ATOM 0 HA SER A 101 5.413 6.949 1.068 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.053 7.231 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.847 8.459 2.814 1.00 0.00 H new ATOM 0 HG SER A 101 5.800 7.756 5.038 1.00 0.00 H new ATOM 409 N ALA A 102 7.328 5.145 1.809 1.00 0.00 N ATOM 410 CA ALA A 102 8.083 3.862 1.799 1.00 0.00 C ATOM 411 C ALA A 102 8.133 3.295 3.220 1.00 0.00 C ATOM 412 O ALA A 102 7.891 2.127 3.442 1.00 0.00 O ATOM 413 CB ALA A 102 9.507 4.112 1.295 1.00 0.00 C ATOM 0 H ALA A 102 7.884 5.977 1.612 1.00 0.00 H new ATOM 0 HA ALA A 102 7.587 3.150 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.060 3.173 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.469 4.519 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.007 4.822 1.954 1.00 0.00 H new ATOM 419 N ALA A 103 8.441 4.119 4.182 1.00 0.00 N ATOM 420 CA ALA A 103 8.504 3.640 5.589 1.00 0.00 C ATOM 421 C ALA A 103 7.165 3.012 5.970 1.00 0.00 C ATOM 422 O ALA A 103 7.112 1.930 6.522 1.00 0.00 O ATOM 423 CB ALA A 103 8.799 4.818 6.519 1.00 0.00 C ATOM 0 H ALA A 103 8.653 5.108 4.053 1.00 0.00 H new ATOM 0 HA ALA A 103 9.296 2.897 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.845 4.465 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.754 5.267 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.008 5.563 6.425 1.00 0.00 H new ATOM 429 N GLU A 104 6.078 3.671 5.671 1.00 0.00 N ATOM 430 CA GLU A 104 4.751 3.096 6.009 1.00 0.00 C ATOM 431 C GLU A 104 4.552 1.834 5.175 1.00 0.00 C ATOM 432 O GLU A 104 3.789 0.954 5.523 1.00 0.00 O ATOM 433 CB GLU A 104 3.654 4.110 5.683 1.00 0.00 C ATOM 434 CG GLU A 104 3.829 5.348 6.563 1.00 0.00 C ATOM 435 CD GLU A 104 2.862 6.441 6.107 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.196 6.236 5.107 1.00 0.00 O ATOM 437 OE2 GLU A 104 2.806 7.466 6.766 1.00 0.00 O ATOM 0 H GLU A 104 6.055 4.580 5.209 1.00 0.00 H new ATOM 0 HA GLU A 104 4.702 2.856 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.702 4.389 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.672 3.667 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.642 5.095 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.856 5.708 6.502 1.00 0.00 H new ATOM 444 N LEU A 105 5.248 1.742 4.077 1.00 0.00 N ATOM 445 CA LEU A 105 5.124 0.542 3.210 1.00 0.00 C ATOM 446 C LEU A 105 5.925 -0.605 3.826 1.00 0.00 C ATOM 447 O LEU A 105 5.639 -1.763 3.603 1.00 0.00 O ATOM 448 CB LEU A 105 5.668 0.863 1.820 1.00 0.00 C ATOM 449 CG LEU A 105 4.761 0.232 0.768 1.00 0.00 C ATOM 450 CD1 LEU A 105 5.309 0.539 -0.626 1.00 0.00 C ATOM 451 CD2 LEU A 105 4.720 -1.281 0.980 1.00 0.00 C ATOM 0 H LEU A 105 5.900 2.451 3.743 1.00 0.00 H new ATOM 0 HA LEU A 105 4.077 0.251 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.716 1.942 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.684 0.482 1.717 1.00 0.00 H new ATOM 0 HG LEU A 105 3.754 0.640 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.662 0.089 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.342 1.618 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.315 0.129 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.073 -1.736 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.726 -1.689 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.331 -1.499 1.975 1.00 0.00 H new ATOM 463 N ARG A 106 6.922 -0.293 4.609 1.00 0.00 N ATOM 464 CA ARG A 106 7.727 -1.357 5.250 1.00 0.00 C ATOM 465 C ARG A 106 6.941 -1.913 6.437 1.00 0.00 C ATOM 466 O ARG A 106 6.846 -3.106 6.643 1.00 0.00 O ATOM 467 CB ARG A 106 9.015 -0.728 5.766 1.00 0.00 C ATOM 468 CG ARG A 106 9.576 0.228 4.722 1.00 0.00 C ATOM 469 CD ARG A 106 11.107 0.219 4.790 1.00 0.00 C ATOM 470 NE ARG A 106 11.545 -0.019 6.196 1.00 0.00 N ATOM 471 CZ ARG A 106 11.463 0.939 7.081 1.00 0.00 C ATOM 472 NH1 ARG A 106 11.669 2.178 6.726 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.177 0.656 8.323 1.00 0.00 N ATOM 0 H ARG A 106 7.210 0.660 4.830 1.00 0.00 H new ATOM 0 HA ARG A 106 7.948 -2.155 4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.822 -0.193 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.746 -1.505 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.244 -0.068 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.200 1.236 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.505 -0.558 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.502 1.169 4.431 1.00 0.00 H new ATOM 0 HE ARG A 106 11.910 -0.932 6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.894 2.400 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.605 2.924 7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.018 -0.312 8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.113 1.403 9.015 1.00 0.00 H new ATOM 487 N HIS A 107 6.392 -1.030 7.221 1.00 0.00 N ATOM 488 CA HIS A 107 5.612 -1.441 8.426 1.00 0.00 C ATOM 489 C HIS A 107 4.600 -2.544 8.090 1.00 0.00 C ATOM 490 O HIS A 107 4.216 -3.314 8.948 1.00 0.00 O ATOM 491 CB HIS A 107 4.861 -0.217 8.961 1.00 0.00 C ATOM 492 CG HIS A 107 3.846 -0.647 9.987 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.201 -1.335 11.136 1.00 0.00 N ATOM 494 CD2 HIS A 107 2.483 -0.494 10.047 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.074 -1.571 11.832 1.00 0.00 C ATOM 496 NE2 HIS A 107 1.997 -1.078 11.213 1.00 0.00 N ATOM 0 H HIS A 107 6.451 -0.022 7.077 1.00 0.00 H new ATOM 0 HA HIS A 107 6.303 -1.832 9.172 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.565 0.487 9.406 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.365 0.303 8.142 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.880 0.004 9.302 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.043 -2.095 12.776 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.028 -1.121 11.527 1.00 0.00 H new ATOM 504 N VAL A 108 4.133 -2.618 6.873 1.00 0.00 N ATOM 505 CA VAL A 108 3.119 -3.665 6.548 1.00 0.00 C ATOM 506 C VAL A 108 3.687 -4.709 5.586 1.00 0.00 C ATOM 507 O VAL A 108 3.413 -5.887 5.707 1.00 0.00 O ATOM 508 CB VAL A 108 1.892 -3.001 5.922 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.886 -4.075 5.504 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.241 -2.069 6.949 1.00 0.00 C ATOM 0 H VAL A 108 4.403 -2.010 6.100 1.00 0.00 H new ATOM 0 HA VAL A 108 2.840 -4.174 7.471 1.00 0.00 H new ATOM 0 HB VAL A 108 2.196 -2.428 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.012 -3.601 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.348 -4.742 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.581 -4.648 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.366 -1.594 6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.937 -2.646 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.956 -1.303 7.250 1.00 0.00 H new ATOM 520 N MET A 109 4.461 -4.300 4.628 1.00 0.00 N ATOM 521 CA MET A 109 5.022 -5.291 3.666 1.00 0.00 C ATOM 522 C MET A 109 5.906 -6.293 4.413 1.00 0.00 C ATOM 523 O MET A 109 6.232 -7.345 3.901 1.00 0.00 O ATOM 524 CB MET A 109 5.849 -4.578 2.598 1.00 0.00 C ATOM 525 CG MET A 109 4.920 -4.025 1.516 1.00 0.00 C ATOM 526 SD MET A 109 4.075 -5.396 0.689 1.00 0.00 S ATOM 527 CE MET A 109 2.439 -4.629 0.594 1.00 0.00 C ATOM 0 H MET A 109 4.731 -3.330 4.466 1.00 0.00 H new ATOM 0 HA MET A 109 4.199 -5.820 3.185 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.423 -3.768 3.048 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.567 -5.270 2.157 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.190 -3.348 1.960 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.492 -3.446 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.880 -5.065 -0.234 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.901 -4.802 1.526 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.549 -3.557 0.433 1.00 0.00 H new ATOM 537 N THR A 110 6.294 -5.981 5.619 1.00 0.00 N ATOM 538 CA THR A 110 7.151 -6.928 6.388 1.00 0.00 C ATOM 539 C THR A 110 6.264 -7.947 7.103 1.00 0.00 C ATOM 540 O THR A 110 6.684 -9.046 7.405 1.00 0.00 O ATOM 541 CB THR A 110 7.982 -6.160 7.416 1.00 0.00 C ATOM 542 OG1 THR A 110 8.889 -7.053 8.048 1.00 0.00 O ATOM 543 CG2 THR A 110 7.060 -5.545 8.464 1.00 0.00 C ATOM 0 H THR A 110 6.056 -5.116 6.104 1.00 0.00 H new ATOM 0 HA THR A 110 7.822 -7.445 5.702 1.00 0.00 H new ATOM 0 HB THR A 110 8.538 -5.367 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.117 -7.779 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.655 -4.998 9.196 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.363 -4.862 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.503 -6.335 8.967 1.00 0.00 H new ATOM 551 N ASN A 111 5.039 -7.592 7.375 1.00 0.00 N ATOM 552 CA ASN A 111 4.126 -8.540 8.068 1.00 0.00 C ATOM 553 C ASN A 111 4.069 -9.853 7.286 1.00 0.00 C ATOM 554 O ASN A 111 3.955 -10.921 7.853 1.00 0.00 O ATOM 555 CB ASN A 111 2.721 -7.938 8.144 1.00 0.00 C ATOM 556 CG ASN A 111 1.762 -8.963 8.750 1.00 0.00 C ATOM 557 OD1 ASN A 111 0.751 -9.290 8.162 1.00 0.00 O ATOM 558 ND2 ASN A 111 2.041 -9.490 9.911 1.00 0.00 N ATOM 0 H ASN A 111 4.631 -6.685 7.147 1.00 0.00 H new ATOM 0 HA ASN A 111 4.497 -8.727 9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.734 -7.032 8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.382 -7.650 7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.410 -10.176 10.324 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.890 -9.215 10.405 1.00 0.00 H new ATOM 565 N LEU A 112 4.145 -9.782 5.985 1.00 0.00 N ATOM 566 CA LEU A 112 4.093 -11.026 5.167 1.00 0.00 C ATOM 567 C LEU A 112 5.174 -10.981 4.087 1.00 0.00 C ATOM 568 O LEU A 112 5.297 -11.883 3.282 1.00 0.00 O ATOM 569 CB LEU A 112 2.716 -11.166 4.505 1.00 0.00 C ATOM 570 CG LEU A 112 1.954 -9.838 4.576 1.00 0.00 C ATOM 571 CD1 LEU A 112 2.595 -8.829 3.622 1.00 0.00 C ATOM 572 CD2 LEU A 112 0.497 -10.068 4.175 1.00 0.00 C ATOM 0 H LEU A 112 4.241 -8.917 5.454 1.00 0.00 H new ATOM 0 HA LEU A 112 4.265 -11.882 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.834 -11.470 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.144 -11.949 5.003 1.00 0.00 H new ATOM 0 HG LEU A 112 1.994 -9.448 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.053 -7.885 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.634 -8.667 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.556 -9.215 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.047 -9.125 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.457 -10.457 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.041 -10.786 4.856 1.00 0.00 H new ATOM 584 N GLY A 113 5.964 -9.944 4.064 1.00 0.00 N ATOM 585 CA GLY A 113 7.041 -9.851 3.040 1.00 0.00 C ATOM 586 C GLY A 113 8.392 -9.999 3.732 1.00 0.00 C ATOM 587 O GLY A 113 9.387 -9.449 3.305 1.00 0.00 O ATOM 0 H GLY A 113 5.910 -9.157 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.915 -10.630 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.986 -8.894 2.520 1.00 0.00 H new ATOM 591 N GLU A 114 8.434 -10.740 4.806 1.00 0.00 N ATOM 592 CA GLU A 114 9.719 -10.922 5.535 1.00 0.00 C ATOM 593 C GLU A 114 10.245 -9.555 5.983 1.00 0.00 C ATOM 594 O GLU A 114 9.861 -9.044 7.017 1.00 0.00 O ATOM 595 CB GLU A 114 10.737 -11.596 4.611 1.00 0.00 C ATOM 596 CG GLU A 114 10.385 -13.078 4.469 1.00 0.00 C ATOM 597 CD GLU A 114 10.202 -13.423 2.990 1.00 0.00 C ATOM 598 OE1 GLU A 114 11.009 -12.975 2.192 1.00 0.00 O ATOM 599 OE2 GLU A 114 9.258 -14.132 2.680 1.00 0.00 O ATOM 0 H GLU A 114 7.633 -11.227 5.209 1.00 0.00 H new ATOM 0 HA GLU A 114 9.560 -11.551 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.733 -11.114 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.743 -11.486 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.175 -13.693 4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.471 -13.299 5.020 1.00 0.00 H new ATOM 606 N LYS A 115 11.119 -8.956 5.219 1.00 0.00 N ATOM 607 CA LYS A 115 11.658 -7.626 5.612 1.00 0.00 C ATOM 608 C LYS A 115 11.777 -6.734 4.374 1.00 0.00 C ATOM 609 O LYS A 115 12.228 -7.165 3.330 1.00 0.00 O ATOM 610 CB LYS A 115 13.038 -7.810 6.244 1.00 0.00 C ATOM 611 CG LYS A 115 13.120 -6.996 7.537 1.00 0.00 C ATOM 612 CD LYS A 115 14.392 -6.145 7.524 1.00 0.00 C ATOM 613 CE LYS A 115 15.607 -7.040 7.776 1.00 0.00 C ATOM 614 NZ LYS A 115 16.815 -6.420 7.159 1.00 0.00 N ATOM 0 H LYS A 115 11.481 -9.331 4.342 1.00 0.00 H new ATOM 0 HA LYS A 115 10.985 -7.157 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.216 -8.865 6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.814 -7.488 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.243 -6.356 7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.124 -7.663 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.493 -5.638 6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.332 -5.371 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.759 -7.172 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.437 -8.030 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.642 -7.027 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.667 -6.316 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.979 -5.484 7.582 1.00 0.00 H new ATOM 628 N LEU A 116 11.377 -5.495 4.478 1.00 0.00 N ATOM 629 CA LEU A 116 11.470 -4.579 3.305 1.00 0.00 C ATOM 630 C LEU A 116 12.462 -3.459 3.609 1.00 0.00 C ATOM 631 O LEU A 116 12.187 -2.573 4.394 1.00 0.00 O ATOM 632 CB LEU A 116 10.100 -3.953 3.024 1.00 0.00 C ATOM 633 CG LEU A 116 9.293 -4.810 2.038 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.647 -4.407 0.607 1.00 0.00 C ATOM 635 CD2 LEU A 116 9.603 -6.298 2.243 1.00 0.00 C ATOM 0 H LEU A 116 10.990 -5.078 5.325 1.00 0.00 H new ATOM 0 HA LEU A 116 11.802 -5.150 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.546 -3.848 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.231 -2.951 2.617 1.00 0.00 H new ATOM 0 HG LEU A 116 8.230 -4.646 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.075 -5.015 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.407 -3.355 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.712 -4.564 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.023 -6.891 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.666 -6.474 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.341 -6.587 3.261 1.00 0.00 H new ATOM 647 N THR A 117 13.605 -3.474 2.986 1.00 0.00 N ATOM 648 CA THR A 117 14.590 -2.389 3.237 1.00 0.00 C ATOM 649 C THR A 117 14.080 -1.115 2.569 1.00 0.00 C ATOM 650 O THR A 117 12.959 -1.057 2.106 1.00 0.00 O ATOM 651 CB THR A 117 15.947 -2.772 2.642 1.00 0.00 C ATOM 652 OG1 THR A 117 15.751 -3.672 1.560 1.00 0.00 O ATOM 653 CG2 THR A 117 16.810 -3.437 3.716 1.00 0.00 C ATOM 0 H THR A 117 13.899 -4.186 2.318 1.00 0.00 H new ATOM 0 HA THR A 117 14.708 -2.232 4.309 1.00 0.00 H new ATOM 0 HB THR A 117 16.452 -1.876 2.281 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.250 -3.357 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 117 17.776 -3.709 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.961 -2.743 4.543 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.309 -4.334 4.081 1.00 0.00 H new ATOM 661 N ASP A 118 14.885 -0.094 2.502 1.00 0.00 N ATOM 662 CA ASP A 118 14.424 1.159 1.847 1.00 0.00 C ATOM 663 C ASP A 118 14.554 1.002 0.332 1.00 0.00 C ATOM 664 O ASP A 118 13.600 1.168 -0.403 1.00 0.00 O ATOM 665 CB ASP A 118 15.277 2.329 2.325 1.00 0.00 C ATOM 666 CG ASP A 118 14.716 2.862 3.645 1.00 0.00 C ATOM 667 OD1 ASP A 118 13.504 2.931 3.764 1.00 0.00 O ATOM 668 OD2 ASP A 118 15.507 3.191 4.512 1.00 0.00 O ATOM 0 H ASP A 118 15.836 -0.072 2.870 1.00 0.00 H new ATOM 0 HA ASP A 118 13.383 1.353 2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.310 2.009 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.283 3.119 1.574 1.00 0.00 H new ATOM 673 N GLU A 119 15.724 0.670 -0.144 1.00 0.00 N ATOM 674 CA GLU A 119 15.899 0.488 -1.611 1.00 0.00 C ATOM 675 C GLU A 119 15.000 -0.657 -2.077 1.00 0.00 C ATOM 676 O GLU A 119 14.630 -0.746 -3.230 1.00 0.00 O ATOM 677 CB GLU A 119 17.362 0.159 -1.918 1.00 0.00 C ATOM 678 CG GLU A 119 18.081 1.424 -2.389 1.00 0.00 C ATOM 679 CD GLU A 119 19.121 1.839 -1.346 1.00 0.00 C ATOM 680 OE1 GLU A 119 18.721 2.263 -0.274 1.00 0.00 O ATOM 681 OE2 GLU A 119 20.301 1.726 -1.637 1.00 0.00 O ATOM 0 H GLU A 119 16.562 0.518 0.418 1.00 0.00 H new ATOM 0 HA GLU A 119 15.627 1.405 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.850 -0.240 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.419 -0.612 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.565 1.244 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.362 2.229 -2.541 1.00 0.00 H new ATOM 688 N GLU A 120 14.636 -1.525 -1.175 1.00 0.00 N ATOM 689 CA GLU A 120 13.746 -2.661 -1.541 1.00 0.00 C ATOM 690 C GLU A 120 12.313 -2.139 -1.651 1.00 0.00 C ATOM 691 O GLU A 120 11.608 -2.419 -2.599 1.00 0.00 O ATOM 692 CB GLU A 120 13.823 -3.738 -0.454 1.00 0.00 C ATOM 693 CG GLU A 120 12.753 -4.803 -0.706 1.00 0.00 C ATOM 694 CD GLU A 120 13.417 -6.075 -1.237 1.00 0.00 C ATOM 695 OE1 GLU A 120 14.221 -5.964 -2.146 1.00 0.00 O ATOM 696 OE2 GLU A 120 13.110 -7.139 -0.723 1.00 0.00 O ATOM 0 H GLU A 120 14.918 -1.496 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 120 14.057 -3.093 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.812 -4.196 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.678 -3.288 0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.215 -5.019 0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.020 -4.435 -1.424 1.00 0.00 H new ATOM 703 N VAL A 121 11.883 -1.378 -0.684 1.00 0.00 N ATOM 704 CA VAL A 121 10.503 -0.822 -0.718 1.00 0.00 C ATOM 705 C VAL A 121 10.259 -0.101 -2.047 1.00 0.00 C ATOM 706 O VAL A 121 9.239 -0.277 -2.678 1.00 0.00 O ATOM 707 CB VAL A 121 10.343 0.172 0.430 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.057 0.979 0.241 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.275 -0.595 1.746 1.00 0.00 C ATOM 0 H VAL A 121 12.433 -1.116 0.134 1.00 0.00 H new ATOM 0 HA VAL A 121 9.783 -1.634 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 121 11.193 0.854 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.947 1.687 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.104 1.523 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.202 0.303 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.161 0.108 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.423 -1.275 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.193 -1.167 1.881 1.00 0.00 H new ATOM 719 N ASP A 122 11.181 0.720 -2.470 1.00 0.00 N ATOM 720 CA ASP A 122 10.994 1.460 -3.752 1.00 0.00 C ATOM 721 C ASP A 122 10.557 0.491 -4.853 1.00 0.00 C ATOM 722 O ASP A 122 9.803 0.845 -5.734 1.00 0.00 O ATOM 723 CB ASP A 122 12.312 2.126 -4.151 1.00 0.00 C ATOM 724 CG ASP A 122 12.531 3.381 -3.304 1.00 0.00 C ATOM 725 OD1 ASP A 122 13.129 3.263 -2.247 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.097 4.441 -3.726 1.00 0.00 O ATOM 0 H ASP A 122 12.057 0.911 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 122 10.225 2.221 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 122 13.140 1.431 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.293 2.388 -5.209 1.00 0.00 H new ATOM 731 N GLU A 123 11.028 -0.723 -4.816 1.00 0.00 N ATOM 732 CA GLU A 123 10.636 -1.706 -5.866 1.00 0.00 C ATOM 733 C GLU A 123 9.176 -2.120 -5.656 1.00 0.00 C ATOM 734 O GLU A 123 8.432 -2.294 -6.601 1.00 0.00 O ATOM 735 CB GLU A 123 11.541 -2.939 -5.775 1.00 0.00 C ATOM 736 CG GLU A 123 11.940 -3.392 -7.182 1.00 0.00 C ATOM 737 CD GLU A 123 11.484 -4.837 -7.399 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.045 -5.716 -6.766 1.00 0.00 O ATOM 739 OE2 GLU A 123 10.583 -5.039 -8.195 1.00 0.00 O ATOM 0 H GLU A 123 11.667 -1.078 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 123 10.745 -1.252 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.432 -2.706 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.022 -3.745 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.486 -2.740 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.020 -3.317 -7.308 1.00 0.00 H new ATOM 746 N MET A 124 8.753 -2.268 -4.427 1.00 0.00 N ATOM 747 CA MET A 124 7.338 -2.659 -4.168 1.00 0.00 C ATOM 748 C MET A 124 6.422 -1.503 -4.567 1.00 0.00 C ATOM 749 O MET A 124 5.280 -1.694 -4.935 1.00 0.00 O ATOM 750 CB MET A 124 7.157 -2.976 -2.685 1.00 0.00 C ATOM 751 CG MET A 124 7.880 -4.282 -2.350 1.00 0.00 C ATOM 752 SD MET A 124 6.839 -5.282 -1.259 1.00 0.00 S ATOM 753 CE MET A 124 7.684 -6.860 -1.526 1.00 0.00 C ATOM 0 H MET A 124 9.326 -2.135 -3.594 1.00 0.00 H new ATOM 0 HA MET A 124 7.086 -3.544 -4.753 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.553 -2.162 -2.077 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.097 -3.064 -2.448 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.102 -4.833 -3.264 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.833 -4.069 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.555 -7.495 -0.649 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.260 -7.356 -2.399 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.746 -6.681 -1.691 1.00 0.00 H new ATOM 763 N ILE A 125 6.925 -0.303 -4.506 1.00 0.00 N ATOM 764 CA ILE A 125 6.116 0.880 -4.888 1.00 0.00 C ATOM 765 C ILE A 125 6.075 0.968 -6.411 1.00 0.00 C ATOM 766 O ILE A 125 5.082 1.332 -7.006 1.00 0.00 O ATOM 767 CB ILE A 125 6.786 2.135 -4.328 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.644 2.138 -2.803 1.00 0.00 C ATOM 769 CG2 ILE A 125 6.117 3.383 -4.916 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.920 3.541 -2.255 1.00 0.00 C ATOM 0 H ILE A 125 7.876 -0.092 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 125 5.104 0.794 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 125 7.842 2.140 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.640 1.820 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.340 1.423 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.597 4.276 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.218 3.373 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.060 3.389 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.817 3.535 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.933 3.843 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.207 4.246 -2.683 1.00 0.00 H new ATOM 782 N ARG A 126 7.167 0.643 -7.035 1.00 0.00 N ATOM 783 CA ARG A 126 7.242 0.705 -8.519 1.00 0.00 C ATOM 784 C ARG A 126 6.159 -0.186 -9.143 1.00 0.00 C ATOM 785 O ARG A 126 5.712 0.051 -10.248 1.00 0.00 O ATOM 786 CB ARG A 126 8.642 0.248 -8.966 1.00 0.00 C ATOM 787 CG ARG A 126 8.716 -1.280 -9.049 1.00 0.00 C ATOM 788 CD ARG A 126 8.830 -1.698 -10.515 1.00 0.00 C ATOM 789 NE ARG A 126 10.263 -1.696 -10.916 1.00 0.00 N ATOM 790 CZ ARG A 126 10.600 -1.378 -12.136 1.00 0.00 C ATOM 791 NH1 ARG A 126 10.302 -0.197 -12.608 1.00 0.00 N ATOM 792 NH2 ARG A 126 11.234 -2.240 -12.883 1.00 0.00 N ATOM 0 H ARG A 126 8.023 0.333 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 126 7.071 1.728 -8.854 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.877 0.681 -9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.391 0.615 -8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.575 -1.646 -8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.828 -1.724 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.402 -2.690 -10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.263 -1.013 -11.146 1.00 0.00 H new ATOM 0 HE ARG A 126 10.983 -1.943 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.806 0.476 -12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 126 10.565 0.052 -13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.466 -3.162 -12.513 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.498 -1.992 -13.837 1.00 0.00 H new ATOM 806 N GLU A 127 5.739 -1.212 -8.453 1.00 0.00 N ATOM 807 CA GLU A 127 4.694 -2.113 -9.019 1.00 0.00 C ATOM 808 C GLU A 127 3.306 -1.627 -8.599 1.00 0.00 C ATOM 809 O GLU A 127 2.306 -2.016 -9.167 1.00 0.00 O ATOM 810 CB GLU A 127 4.906 -3.538 -8.500 1.00 0.00 C ATOM 811 CG GLU A 127 6.393 -3.770 -8.222 1.00 0.00 C ATOM 812 CD GLU A 127 6.633 -5.248 -7.914 1.00 0.00 C ATOM 813 OE1 GLU A 127 6.835 -6.003 -8.851 1.00 0.00 O ATOM 814 OE2 GLU A 127 6.609 -5.602 -6.746 1.00 0.00 O ATOM 0 H GLU A 127 6.074 -1.465 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 127 4.769 -2.104 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.327 -3.694 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.546 -4.260 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.986 -3.467 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.716 -3.156 -7.381 1.00 0.00 H new ATOM 821 N ALA A 128 3.232 -0.790 -7.601 1.00 0.00 N ATOM 822 CA ALA A 128 1.904 -0.300 -7.146 1.00 0.00 C ATOM 823 C ALA A 128 1.635 1.084 -7.732 1.00 0.00 C ATOM 824 O ALA A 128 0.743 1.263 -8.538 1.00 0.00 O ATOM 825 CB ALA A 128 1.892 -0.219 -5.619 1.00 0.00 C ATOM 0 H ALA A 128 4.032 -0.426 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 128 1.129 -0.988 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.920 0.140 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.079 -1.208 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.669 0.469 -5.285 1.00 0.00 H new ATOM 831 N ASP A 129 2.392 2.066 -7.334 1.00 0.00 N ATOM 832 CA ASP A 129 2.164 3.433 -7.873 1.00 0.00 C ATOM 833 C ASP A 129 1.994 3.358 -9.387 1.00 0.00 C ATOM 834 O ASP A 129 2.476 2.449 -10.035 1.00 0.00 O ATOM 835 CB ASP A 129 3.356 4.331 -7.541 1.00 0.00 C ATOM 836 CG ASP A 129 3.257 5.631 -8.342 1.00 0.00 C ATOM 837 OD1 ASP A 129 2.596 6.544 -7.875 1.00 0.00 O ATOM 838 OD2 ASP A 129 3.841 5.691 -9.412 1.00 0.00 O ATOM 0 H ASP A 129 3.155 1.982 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 129 1.264 3.850 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 129 3.373 4.550 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.288 3.817 -7.776 1.00 0.00 H new ATOM 843 N ILE A 130 1.313 4.307 -9.952 1.00 0.00 N ATOM 844 CA ILE A 130 1.106 4.306 -11.422 1.00 0.00 C ATOM 845 C ILE A 130 2.258 5.047 -12.093 1.00 0.00 C ATOM 846 O ILE A 130 3.041 4.479 -12.827 1.00 0.00 O ATOM 847 CB ILE A 130 -0.210 5.009 -11.741 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.340 4.335 -10.969 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.491 4.924 -13.242 1.00 0.00 C ATOM 850 CD1 ILE A 130 -1.501 2.909 -11.478 1.00 0.00 C ATOM 0 H ILE A 130 0.887 5.090 -9.456 1.00 0.00 H new ATOM 0 HA ILE A 130 1.071 3.281 -11.791 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.142 6.057 -11.450 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.118 4.332 -9.902 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -2.269 4.889 -11.100 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.432 5.427 -13.465 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.318 5.406 -13.791 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.559 3.878 -13.541 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.307 2.417 -10.933 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -1.740 2.927 -12.541 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.571 2.361 -11.325 1.00 0.00 H new ATOM 862 N ASP A 131 2.362 6.315 -11.840 1.00 0.00 N ATOM 863 CA ASP A 131 3.458 7.115 -12.452 1.00 0.00 C ATOM 864 C ASP A 131 3.391 8.550 -11.928 1.00 0.00 C ATOM 865 O ASP A 131 3.284 9.493 -12.687 1.00 0.00 O ATOM 866 CB ASP A 131 3.296 7.119 -13.973 1.00 0.00 C ATOM 867 CG ASP A 131 4.504 7.803 -14.614 1.00 0.00 C ATOM 868 OD1 ASP A 131 5.586 7.688 -14.062 1.00 0.00 O ATOM 869 OD2 ASP A 131 4.328 8.429 -15.646 1.00 0.00 O ATOM 0 H ASP A 131 1.732 6.839 -11.232 1.00 0.00 H new ATOM 0 HA ASP A 131 4.421 6.676 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 131 3.205 6.097 -14.342 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.380 7.641 -14.250 1.00 0.00 H new ATOM 874 N GLY A 132 3.451 8.726 -10.635 1.00 0.00 N ATOM 875 CA GLY A 132 3.388 10.099 -10.072 1.00 0.00 C ATOM 876 C GLY A 132 4.781 10.527 -9.630 1.00 0.00 C ATOM 877 O GLY A 132 5.540 11.110 -10.379 1.00 0.00 O ATOM 0 H GLY A 132 3.541 7.977 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 132 3.002 10.793 -10.819 1.00 0.00 H new ATOM 0 HA3 GLY A 132 2.701 10.126 -9.226 1.00 0.00 H new ATOM 881 N ASP A 133 5.113 10.241 -8.410 1.00 0.00 N ATOM 882 CA ASP A 133 6.453 10.624 -7.884 1.00 0.00 C ATOM 883 C ASP A 133 7.126 9.418 -7.232 1.00 0.00 C ATOM 884 O ASP A 133 8.326 9.384 -7.042 1.00 0.00 O ATOM 885 CB ASP A 133 6.287 11.719 -6.840 1.00 0.00 C ATOM 886 CG ASP A 133 4.988 11.492 -6.061 1.00 0.00 C ATOM 887 OD1 ASP A 133 3.939 11.499 -6.684 1.00 0.00 O ATOM 888 OD2 ASP A 133 5.066 11.312 -4.857 1.00 0.00 O ATOM 0 H ASP A 133 4.512 9.754 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 133 7.070 10.980 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.137 11.717 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.268 12.696 -7.323 1.00 0.00 H new ATOM 893 N GLY A 134 6.356 8.436 -6.882 1.00 0.00 N ATOM 894 CA GLY A 134 6.932 7.224 -6.231 1.00 0.00 C ATOM 895 C GLY A 134 6.206 6.964 -4.910 1.00 0.00 C ATOM 896 O GLY A 134 6.675 6.230 -4.064 1.00 0.00 O ATOM 0 H GLY A 134 5.345 8.415 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.832 6.361 -6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.998 7.366 -6.051 1.00 0.00 H new ATOM 900 N GLN A 135 5.058 7.561 -4.728 1.00 0.00 N ATOM 901 CA GLN A 135 4.292 7.352 -3.470 1.00 0.00 C ATOM 902 C GLN A 135 3.013 6.583 -3.798 1.00 0.00 C ATOM 903 O GLN A 135 2.611 6.502 -4.942 1.00 0.00 O ATOM 904 CB GLN A 135 3.931 8.709 -2.867 1.00 0.00 C ATOM 905 CG GLN A 135 3.987 8.615 -1.345 1.00 0.00 C ATOM 906 CD GLN A 135 4.306 9.990 -0.758 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.032 11.060 -1.452 1.00 0.00 O flip ATOM 908 NE2 GLN A 135 4.811 10.092 0.342 1.00 0.00 N flip ATOM 0 H GLN A 135 4.618 8.187 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 135 4.891 6.788 -2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.623 9.473 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.933 9.009 -3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.034 8.255 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.747 7.894 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.025 9.255 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.021 11.014 0.723 1.00 0.00 H new ATOM 917 N VAL A 136 2.367 6.012 -2.818 1.00 0.00 N ATOM 918 CA VAL A 136 1.124 5.255 -3.109 1.00 0.00 C ATOM 919 C VAL A 136 -0.086 6.061 -2.638 1.00 0.00 C ATOM 920 O VAL A 136 0.038 7.006 -1.886 1.00 0.00 O ATOM 921 CB VAL A 136 1.170 3.920 -2.365 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.145 3.167 -2.574 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.333 3.076 -2.904 1.00 0.00 C ATOM 0 H VAL A 136 2.646 6.038 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 136 1.042 5.077 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 136 1.314 4.105 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.108 2.216 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.972 3.765 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.293 2.982 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.367 2.124 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.188 2.894 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.271 3.610 -2.752 1.00 0.00 H new ATOM 933 N ASN A 137 -1.259 5.687 -3.061 1.00 0.00 N ATOM 934 CA ASN A 137 -2.477 6.416 -2.616 1.00 0.00 C ATOM 935 C ASN A 137 -3.642 5.424 -2.586 1.00 0.00 C ATOM 936 O ASN A 137 -3.444 4.233 -2.701 1.00 0.00 O ATOM 937 CB ASN A 137 -2.750 7.618 -3.542 1.00 0.00 C ATOM 938 CG ASN A 137 -3.853 7.315 -4.560 1.00 0.00 C ATOM 939 OD1 ASN A 137 -3.661 6.535 -5.466 1.00 0.00 O ATOM 940 ND2 ASN A 137 -5.004 7.918 -4.452 1.00 0.00 N ATOM 0 H ASN A 137 -1.427 4.907 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.341 6.824 -1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.037 8.481 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.834 7.886 -4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.743 7.733 -5.131 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.166 8.575 -3.689 1.00 0.00 H new ATOM 947 N TYR A 138 -4.843 5.879 -2.390 1.00 0.00 N ATOM 948 CA TYR A 138 -5.982 4.923 -2.307 1.00 0.00 C ATOM 949 C TYR A 138 -6.264 4.272 -3.666 1.00 0.00 C ATOM 950 O TYR A 138 -6.607 3.110 -3.741 1.00 0.00 O ATOM 951 CB TYR A 138 -7.224 5.662 -1.829 1.00 0.00 C ATOM 952 CG TYR A 138 -8.382 4.705 -1.820 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.364 3.621 -0.942 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.464 4.895 -2.684 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.431 2.717 -0.923 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.535 3.993 -2.668 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.520 2.902 -1.785 1.00 0.00 C ATOM 958 OH TYR A 138 -11.575 2.013 -1.767 1.00 0.00 O ATOM 0 H TYR A 138 -5.088 6.864 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.718 4.135 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.061 6.067 -0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.437 6.506 -2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.525 3.480 -0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.474 5.735 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.416 1.877 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.372 4.137 -3.335 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.246 2.289 -2.426 1.00 0.00 H new ATOM 968 N GLU A 139 -6.143 5.005 -4.733 1.00 0.00 N ATOM 969 CA GLU A 139 -6.425 4.422 -6.077 1.00 0.00 C ATOM 970 C GLU A 139 -5.354 3.388 -6.446 1.00 0.00 C ATOM 971 O GLU A 139 -5.651 2.349 -7.002 1.00 0.00 O ATOM 972 CB GLU A 139 -6.439 5.540 -7.121 1.00 0.00 C ATOM 973 CG GLU A 139 -7.461 5.209 -8.208 1.00 0.00 C ATOM 974 CD GLU A 139 -8.408 6.395 -8.397 1.00 0.00 C ATOM 975 OE1 GLU A 139 -9.391 6.464 -7.677 1.00 0.00 O ATOM 976 OE2 GLU A 139 -8.137 7.214 -9.260 1.00 0.00 O ATOM 0 H GLU A 139 -5.861 5.985 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.396 3.927 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.689 6.490 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.448 5.654 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.951 4.984 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.026 4.319 -7.931 1.00 0.00 H new ATOM 983 N GLU A 140 -4.112 3.658 -6.147 1.00 0.00 N ATOM 984 CA GLU A 140 -3.035 2.685 -6.490 1.00 0.00 C ATOM 985 C GLU A 140 -2.993 1.585 -5.426 1.00 0.00 C ATOM 986 O GLU A 140 -2.524 0.490 -5.668 1.00 0.00 O ATOM 987 CB GLU A 140 -1.684 3.408 -6.539 1.00 0.00 C ATOM 988 CG GLU A 140 -1.849 4.749 -7.254 1.00 0.00 C ATOM 989 CD GLU A 140 -0.526 5.514 -7.216 1.00 0.00 C ATOM 990 OE1 GLU A 140 0.213 5.333 -6.263 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.275 6.268 -8.141 1.00 0.00 O ATOM 0 H GLU A 140 -3.797 4.509 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.239 2.242 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.308 3.567 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.950 2.794 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.158 4.587 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.634 5.334 -6.775 1.00 0.00 H new ATOM 998 N PHE A 141 -3.485 1.869 -4.251 1.00 0.00 N ATOM 999 CA PHE A 141 -3.481 0.847 -3.165 1.00 0.00 C ATOM 1000 C PHE A 141 -4.704 -0.058 -3.308 1.00 0.00 C ATOM 1001 O PHE A 141 -4.723 -1.169 -2.823 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.546 1.560 -1.816 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.887 0.571 -0.724 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.865 -0.104 -0.048 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.227 0.333 -0.385 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -3.180 -1.017 0.966 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.543 -0.580 0.628 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.519 -1.255 1.304 1.00 0.00 C ATOM 0 H PHE A 141 -3.891 2.769 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.574 0.246 -3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.590 2.036 -1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.296 2.351 -1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.833 0.079 -0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.016 0.855 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.391 -1.538 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.575 -0.764 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.761 -1.959 2.086 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.731 0.418 -3.946 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.961 -0.411 -4.098 1.00 0.00 C ATOM 1020 C VAL A 142 -6.732 -1.517 -5.131 1.00 0.00 C ATOM 1021 O VAL A 142 -6.793 -2.690 -4.821 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.116 0.480 -4.558 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.298 -0.394 -4.980 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.542 1.393 -3.406 1.00 0.00 C ATOM 0 H VAL A 142 -5.776 1.345 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.202 -0.868 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.794 1.087 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.121 0.241 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.994 -1.046 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.622 -1.001 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.365 2.029 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -8.865 0.785 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.700 2.016 -3.105 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.485 -1.153 -6.358 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.275 -2.182 -7.417 1.00 0.00 C ATOM 1036 C GLN A 143 -5.135 -3.130 -7.034 1.00 0.00 C ATOM 1037 O GLN A 143 -5.074 -4.252 -7.496 1.00 0.00 O ATOM 1038 CB GLN A 143 -5.933 -1.490 -8.732 1.00 0.00 C ATOM 1039 CG GLN A 143 -7.225 -1.140 -9.473 1.00 0.00 C ATOM 1040 CD GLN A 143 -7.609 -2.296 -10.399 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -8.743 -2.731 -10.408 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -6.705 -2.817 -11.182 1.00 0.00 N ATOM 0 H GLN A 143 -6.419 -0.186 -6.675 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.191 -2.763 -7.525 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.354 -0.586 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.313 -2.141 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -8.026 -0.950 -8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -7.089 -0.226 -10.051 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.753 -2.452 -11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -6.951 -3.589 -11.801 1.00 0.00 H new ATOM 1051 N MET A 144 -4.227 -2.697 -6.205 1.00 0.00 N ATOM 1052 CA MET A 144 -3.095 -3.588 -5.817 1.00 0.00 C ATOM 1053 C MET A 144 -3.467 -4.396 -4.571 1.00 0.00 C ATOM 1054 O MET A 144 -3.021 -5.511 -4.387 1.00 0.00 O ATOM 1055 CB MET A 144 -1.857 -2.740 -5.524 1.00 0.00 C ATOM 1056 CG MET A 144 -1.023 -2.597 -6.798 1.00 0.00 C ATOM 1057 SD MET A 144 -2.034 -1.847 -8.099 1.00 0.00 S ATOM 1058 CE MET A 144 -0.680 -1.420 -9.218 1.00 0.00 C ATOM 0 H MET A 144 -4.218 -1.770 -5.780 1.00 0.00 H new ATOM 0 HA MET A 144 -2.884 -4.274 -6.637 1.00 0.00 H new ATOM 0 HB2 MET A 144 -2.155 -1.757 -5.159 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.262 -3.205 -4.738 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.145 -1.981 -6.604 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.662 -3.573 -7.121 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.075 -1.255 -10.221 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.191 -0.512 -8.867 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.043 -2.235 -9.242 1.00 0.00 H new ATOM 1068 N MET A 145 -4.267 -3.838 -3.708 1.00 0.00 N ATOM 1069 CA MET A 145 -4.653 -4.564 -2.470 1.00 0.00 C ATOM 1070 C MET A 145 -5.712 -5.623 -2.787 1.00 0.00 C ATOM 1071 O MET A 145 -5.952 -6.523 -2.007 1.00 0.00 O ATOM 1072 CB MET A 145 -5.216 -3.571 -1.452 1.00 0.00 C ATOM 1073 CG MET A 145 -5.273 -4.234 -0.075 1.00 0.00 C ATOM 1074 SD MET A 145 -6.879 -3.901 0.690 1.00 0.00 S ATOM 1075 CE MET A 145 -7.699 -5.427 0.169 1.00 0.00 C ATOM 0 H MET A 145 -4.671 -2.907 -3.808 1.00 0.00 H new ATOM 0 HA MET A 145 -3.772 -5.055 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 145 -4.591 -2.679 -1.413 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.212 -3.249 -1.754 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.120 -5.309 -0.171 1.00 0.00 H new ATOM 0 HG3 MET A 145 -4.471 -3.853 0.557 1.00 0.00 H new ATOM 0 HE1 MET A 145 -8.648 -5.528 0.695 1.00 0.00 H new ATOM 0 HE2 MET A 145 -7.881 -5.394 -0.905 1.00 0.00 H new ATOM 0 HE3 MET A 145 -7.062 -6.280 0.403 1.00 0.00 H new ATOM 1085 N THR A 146 -6.350 -5.526 -3.920 1.00 0.00 N ATOM 1086 CA THR A 146 -7.391 -6.533 -4.269 1.00 0.00 C ATOM 1087 C THR A 146 -7.104 -7.116 -5.656 1.00 0.00 C ATOM 1088 O THR A 146 -7.199 -8.308 -5.868 1.00 0.00 O ATOM 1089 CB THR A 146 -8.770 -5.864 -4.265 1.00 0.00 C ATOM 1090 OG1 THR A 146 -9.781 -6.862 -4.221 1.00 0.00 O ATOM 1091 CG2 THR A 146 -8.941 -5.015 -5.526 1.00 0.00 C ATOM 0 H THR A 146 -6.197 -4.797 -4.617 1.00 0.00 H new ATOM 0 HA THR A 146 -7.376 -7.338 -3.534 1.00 0.00 H new ATOM 0 HB THR A 146 -8.854 -5.221 -3.389 1.00 0.00 H new ATOM 0 HG1 THR A 146 -10.663 -6.434 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 146 -9.923 -4.543 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 146 -8.169 -4.246 -5.554 1.00 0.00 H new ATOM 0 HG23 THR A 146 -8.853 -5.650 -6.407 1.00 0.00 H new ATOM 1099 N ALA A 147 -6.758 -6.286 -6.601 1.00 0.00 N ATOM 1100 CA ALA A 147 -6.471 -6.796 -7.972 1.00 0.00 C ATOM 1101 C ALA A 147 -5.012 -7.254 -8.052 1.00 0.00 C ATOM 1102 O ALA A 147 -4.176 -6.592 -8.634 1.00 0.00 O ATOM 1103 CB ALA A 147 -6.716 -5.684 -8.992 1.00 0.00 C ATOM 0 H ALA A 147 -6.662 -5.277 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 147 -7.127 -7.638 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -6.506 -6.057 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -7.755 -5.361 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -6.061 -4.840 -8.774 1.00 0.00 H new ATOM 1109 N LYS A 148 -4.703 -8.382 -7.473 1.00 0.00 N ATOM 1110 CA LYS A 148 -3.299 -8.882 -7.517 1.00 0.00 C ATOM 1111 C LYS A 148 -2.919 -9.204 -8.963 1.00 0.00 C ATOM 1112 O LYS A 148 -3.169 -10.321 -9.384 1.00 0.00 O ATOM 1113 CB LYS A 148 -3.181 -10.150 -6.668 1.00 0.00 C ATOM 1114 CG LYS A 148 -2.264 -9.883 -5.471 1.00 0.00 C ATOM 1115 CD LYS A 148 -3.101 -9.789 -4.193 1.00 0.00 C ATOM 1116 CE LYS A 148 -2.861 -11.030 -3.331 1.00 0.00 C ATOM 1117 NZ LYS A 148 -4.107 -11.368 -2.587 1.00 0.00 N ATOM 1118 OXT LYS A 148 -2.385 -8.329 -9.624 1.00 0.00 O ATOM 0 H LYS A 148 -5.361 -8.979 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 148 -2.629 -8.117 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -4.167 -10.461 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.782 -10.967 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -1.529 -10.682 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -1.710 -8.957 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -2.835 -8.890 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -4.159 -9.707 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -2.561 -11.869 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -2.045 -10.847 -2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -3.944 -12.212 -2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.375 -10.569 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.874 -11.559 -3.263 1.00 0.00 H new TER 1132 LYS A 148