USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.238 (180deg=-1.07) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.544 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -3.83! K(o=-3.8!,f=-1.6) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 19 CYS SG : rot 164:sc= -2.15 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -108:sc= -0.529 (180deg=-3.83!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.16! C(o=-7.2!,f=-16!) USER MOD Single : A 33 MET CE :methyl -167:sc= -12.5! (180deg=-13.3!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 38 THR OG1 : rot 12:sc= -0.231 USER MOD Single : A 48 THR OG1 : rot -84:sc= -4.65! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0472 USER MOD Single : A 56 CYS SG : rot 71:sc= -13.1! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -152:sc= -0.339 (180deg=-2.38!) USER MOD Single : A 61 HIS : no HE2:sc= -9.41! C(o=-9.4!,f=-17!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.442 USER MOD Single : A 75 TYR OH : rot 172:sc= -11.1! USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= 0.927 (180deg=-0.719) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.884 10.257 -2.141 1.00 0.00 N ATOM 2 CA MET A 1 -19.086 10.239 -0.665 1.00 0.00 C ATOM 3 C MET A 1 -18.619 8.894 -0.101 1.00 0.00 C ATOM 4 O MET A 1 -18.378 8.757 1.081 1.00 0.00 O ATOM 5 CB MET A 1 -20.571 10.434 -0.351 1.00 0.00 C ATOM 6 CG MET A 1 -21.029 11.798 -0.873 1.00 0.00 C ATOM 7 SD MET A 1 -22.813 11.970 -0.626 1.00 0.00 S ATOM 8 CE MET A 1 -23.105 13.194 -1.927 1.00 0.00 C ATOM 0 H1 MET A 1 -18.888 11.240 -2.480 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.971 9.815 -2.372 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.651 9.728 -2.603 1.00 0.00 H new ATOM 0 HA MET A 1 -18.509 11.044 -0.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.158 9.640 -0.813 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.738 10.370 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.500 12.595 -0.351 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.787 11.894 -1.931 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.164 13.451 -1.954 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.519 14.090 -1.722 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.808 12.779 -2.890 1.00 0.00 H new ATOM 20 N THR A 2 -18.490 7.902 -0.939 1.00 0.00 N ATOM 21 CA THR A 2 -18.038 6.569 -0.451 1.00 0.00 C ATOM 22 C THR A 2 -16.561 6.645 -0.059 1.00 0.00 C ATOM 23 O THR A 2 -15.759 7.248 -0.743 1.00 0.00 O ATOM 24 CB THR A 2 -18.221 5.530 -1.560 1.00 0.00 C ATOM 25 OG1 THR A 2 -17.586 4.318 -1.179 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.598 6.050 -2.856 1.00 0.00 C ATOM 0 H THR A 2 -18.678 7.957 -1.940 1.00 0.00 H new ATOM 0 HA THR A 2 -18.630 6.279 0.417 1.00 0.00 H new ATOM 0 HB THR A 2 -19.284 5.349 -1.719 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.703 3.651 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.729 5.310 -3.645 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.086 6.980 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.534 6.231 -2.701 1.00 0.00 H new ATOM 34 N ASP A 3 -16.196 6.038 1.037 1.00 0.00 N ATOM 35 CA ASP A 3 -14.771 6.078 1.471 1.00 0.00 C ATOM 36 C ASP A 3 -14.108 4.730 1.180 1.00 0.00 C ATOM 37 O ASP A 3 -14.449 3.721 1.764 1.00 0.00 O ATOM 38 CB ASP A 3 -14.703 6.365 2.972 1.00 0.00 C ATOM 39 CG ASP A 3 -14.313 7.828 3.194 1.00 0.00 C ATOM 40 OD1 ASP A 3 -14.643 8.643 2.350 1.00 0.00 O ATOM 41 OD2 ASP A 3 -13.692 8.108 4.207 1.00 0.00 O ATOM 0 H ASP A 3 -16.822 5.517 1.650 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.249 6.864 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.668 6.160 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.975 5.707 3.446 1.00 0.00 H new ATOM 46 N LEU A 4 -13.162 4.705 0.281 1.00 0.00 N ATOM 47 CA LEU A 4 -12.477 3.422 -0.045 1.00 0.00 C ATOM 48 C LEU A 4 -11.391 3.149 0.996 1.00 0.00 C ATOM 49 O LEU A 4 -11.002 2.020 1.223 1.00 0.00 O ATOM 50 CB LEU A 4 -11.841 3.520 -1.434 1.00 0.00 C ATOM 51 CG LEU A 4 -12.878 4.026 -2.437 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.314 3.914 -3.855 1.00 0.00 C ATOM 53 CD2 LEU A 4 -14.148 3.180 -2.327 1.00 0.00 C ATOM 0 H LEU A 4 -12.834 5.517 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.203 2.609 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.986 4.196 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.466 2.544 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.114 5.068 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.053 4.275 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.408 4.515 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.078 2.872 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.888 3.540 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.911 2.138 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.551 3.258 -1.317 1.00 0.00 H new ATOM 65 N PHE A 5 -10.897 4.177 1.631 1.00 0.00 N ATOM 66 CA PHE A 5 -9.837 3.983 2.657 1.00 0.00 C ATOM 67 C PHE A 5 -10.477 3.677 4.010 1.00 0.00 C ATOM 68 O PHE A 5 -9.840 3.768 5.040 1.00 0.00 O ATOM 69 CB PHE A 5 -8.991 5.252 2.767 1.00 0.00 C ATOM 70 CG PHE A 5 -7.818 5.167 1.818 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.847 4.287 0.732 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.697 5.968 2.026 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.752 4.218 -0.140 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.615 5.894 1.143 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.637 5.025 0.068 1.00 0.00 C ATOM 0 H PHE A 5 -11.184 5.145 1.482 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.202 3.148 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.598 6.127 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.635 5.376 3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.712 3.662 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.664 6.644 2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.773 3.536 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.752 6.523 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.795 4.973 -0.606 1.00 0.00 H new ATOM 85 N SER A 6 -11.732 3.315 4.018 1.00 0.00 N ATOM 86 CA SER A 6 -12.406 2.997 5.307 1.00 0.00 C ATOM 87 C SER A 6 -11.500 2.090 6.138 1.00 0.00 C ATOM 88 O SER A 6 -10.460 1.656 5.687 1.00 0.00 O ATOM 89 CB SER A 6 -13.726 2.282 5.029 1.00 0.00 C ATOM 90 OG SER A 6 -14.162 1.623 6.212 1.00 0.00 O ATOM 0 H SER A 6 -12.318 3.226 3.188 1.00 0.00 H new ATOM 0 HA SER A 6 -12.603 3.919 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.479 2.998 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.599 1.560 4.222 1.00 0.00 H new ATOM 0 HG SER A 6 -15.010 1.164 6.037 1.00 0.00 H new ATOM 96 N SER A 7 -11.882 1.795 7.348 1.00 0.00 N ATOM 97 CA SER A 7 -11.029 0.921 8.198 1.00 0.00 C ATOM 98 C SER A 7 -10.598 -0.309 7.394 1.00 0.00 C ATOM 99 O SER A 7 -11.386 -1.208 7.175 1.00 0.00 O ATOM 100 CB SER A 7 -11.821 0.475 9.416 1.00 0.00 C ATOM 101 OG SER A 7 -11.189 0.961 10.592 1.00 0.00 O ATOM 0 H SER A 7 -12.745 2.120 7.784 1.00 0.00 H new ATOM 0 HA SER A 7 -10.146 1.474 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.843 0.850 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.882 -0.613 9.446 1.00 0.00 H new ATOM 0 HG SER A 7 -11.699 0.676 11.379 1.00 0.00 H new ATOM 107 N PRO A 8 -9.357 -0.308 6.966 1.00 0.00 N ATOM 108 CA PRO A 8 -8.791 -1.412 6.170 1.00 0.00 C ATOM 109 C PRO A 8 -8.505 -2.621 7.063 1.00 0.00 C ATOM 110 O PRO A 8 -8.508 -2.526 8.274 1.00 0.00 O ATOM 111 CB PRO A 8 -7.500 -0.823 5.598 1.00 0.00 C ATOM 112 CG PRO A 8 -7.108 0.350 6.525 1.00 0.00 C ATOM 113 CD PRO A 8 -8.396 0.780 7.252 1.00 0.00 C ATOM 0 HA PRO A 8 -9.464 -1.769 5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.711 -1.574 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.651 -0.477 4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.344 0.042 7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.692 1.177 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.230 0.892 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.760 1.739 6.883 1.00 0.00 H new ATOM 121 N ASP A 9 -8.252 -3.757 6.475 1.00 0.00 N ATOM 122 CA ASP A 9 -7.961 -4.967 7.293 1.00 0.00 C ATOM 123 C ASP A 9 -6.519 -4.895 7.799 1.00 0.00 C ATOM 124 O ASP A 9 -6.166 -5.504 8.789 1.00 0.00 O ATOM 125 CB ASP A 9 -8.139 -6.221 6.434 1.00 0.00 C ATOM 126 CG ASP A 9 -9.617 -6.388 6.076 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.025 -5.846 5.061 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.316 -7.055 6.821 1.00 0.00 O ATOM 0 H ASP A 9 -8.234 -3.900 5.465 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.646 -5.011 8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.541 -6.141 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.783 -7.098 6.974 1.00 0.00 H new ATOM 133 N HIS A 10 -5.682 -4.158 7.120 1.00 0.00 N ATOM 134 CA HIS A 10 -4.263 -4.048 7.552 1.00 0.00 C ATOM 135 C HIS A 10 -3.741 -2.649 7.222 1.00 0.00 C ATOM 136 O HIS A 10 -4.414 -1.874 6.585 1.00 0.00 O ATOM 137 CB HIS A 10 -3.438 -5.081 6.792 1.00 0.00 C ATOM 138 CG HIS A 10 -3.572 -6.417 7.464 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.507 -7.042 8.092 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.645 -7.258 7.613 1.00 0.00 C ATOM 141 CE1 HIS A 10 -2.959 -8.208 8.589 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.256 -8.390 8.325 1.00 0.00 N ATOM 0 H HIS A 10 -5.922 -3.627 6.283 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.186 -4.223 8.625 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.778 -5.146 5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.391 -4.778 6.765 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.640 -7.071 7.236 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.348 -8.911 9.135 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.836 -9.186 8.588 1.00 0.00 H new ATOM 150 N THR A 11 -2.551 -2.319 7.649 1.00 0.00 N ATOM 151 CA THR A 11 -1.997 -0.971 7.341 1.00 0.00 C ATOM 152 C THR A 11 -0.482 -1.076 7.140 1.00 0.00 C ATOM 153 O THR A 11 0.146 -2.029 7.559 1.00 0.00 O ATOM 154 CB THR A 11 -2.277 -0.035 8.508 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.669 -0.030 8.789 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.815 1.383 8.157 1.00 0.00 C ATOM 0 H THR A 11 -1.940 -2.925 8.197 1.00 0.00 H new ATOM 0 HA THR A 11 -2.463 -0.585 6.434 1.00 0.00 H new ATOM 0 HB THR A 11 -1.732 -0.381 9.387 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.849 0.572 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.017 2.050 8.995 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.745 1.376 7.949 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.353 1.734 7.276 1.00 0.00 H new ATOM 164 N LEU A 12 0.111 -0.096 6.518 1.00 0.00 N ATOM 165 CA LEU A 12 1.590 -0.127 6.307 1.00 0.00 C ATOM 166 C LEU A 12 2.158 1.281 6.426 1.00 0.00 C ATOM 167 O LEU A 12 2.011 2.086 5.536 1.00 0.00 O ATOM 168 CB LEU A 12 1.927 -0.647 4.906 1.00 0.00 C ATOM 169 CG LEU A 12 3.393 -0.292 4.554 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.293 -0.557 5.762 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.860 -1.161 3.395 1.00 0.00 C ATOM 0 H LEU A 12 -0.363 0.727 6.145 1.00 0.00 H new ATOM 0 HA LEU A 12 2.021 -0.785 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.785 -1.727 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.251 -0.208 4.173 1.00 0.00 H new ATOM 0 HG LEU A 12 3.448 0.761 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.323 -0.306 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.965 0.056 6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.233 -1.610 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.892 -0.912 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.799 -2.211 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.225 -0.983 2.528 1.00 0.00 H new ATOM 183 N ASP A 13 2.849 1.573 7.479 1.00 0.00 N ATOM 184 CA ASP A 13 3.457 2.922 7.587 1.00 0.00 C ATOM 185 C ASP A 13 4.639 2.957 6.619 1.00 0.00 C ATOM 186 O ASP A 13 5.435 2.040 6.580 1.00 0.00 O ATOM 187 CB ASP A 13 3.944 3.160 9.017 1.00 0.00 C ATOM 188 CG ASP A 13 4.253 4.646 9.209 1.00 0.00 C ATOM 189 OD1 ASP A 13 4.182 5.376 8.234 1.00 0.00 O ATOM 190 OD2 ASP A 13 4.554 5.029 10.327 1.00 0.00 O ATOM 0 H ASP A 13 3.021 0.946 8.265 1.00 0.00 H new ATOM 0 HA ASP A 13 2.732 3.699 7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.184 2.841 9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.835 2.564 9.213 1.00 0.00 H new ATOM 195 N ALA A 14 4.785 3.996 5.848 1.00 0.00 N ATOM 196 CA ALA A 14 5.939 4.045 4.916 1.00 0.00 C ATOM 197 C ALA A 14 6.492 5.467 4.940 1.00 0.00 C ATOM 198 O ALA A 14 7.279 5.909 4.102 1.00 0.00 O ATOM 199 CB ALA A 14 5.514 3.601 3.527 1.00 0.00 C ATOM 0 H ALA A 14 4.163 4.804 5.823 1.00 0.00 H new ATOM 0 HA ALA A 14 6.727 3.357 5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.370 3.642 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.136 2.580 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.730 4.262 3.158 1.00 0.00 H new ATOM 205 N LEU A 15 6.090 6.161 5.960 1.00 0.00 N ATOM 206 CA LEU A 15 6.566 7.519 6.202 1.00 0.00 C ATOM 207 C LEU A 15 7.960 7.383 6.785 1.00 0.00 C ATOM 208 O LEU A 15 8.146 6.932 7.897 1.00 0.00 O ATOM 209 CB LEU A 15 5.655 8.182 7.205 1.00 0.00 C ATOM 210 CG LEU A 15 4.207 7.975 6.787 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.287 8.190 7.990 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.872 8.987 5.698 1.00 0.00 C ATOM 0 H LEU A 15 5.426 5.818 6.654 1.00 0.00 H new ATOM 0 HA LEU A 15 6.578 8.118 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.822 7.763 8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.878 9.247 7.267 1.00 0.00 H new ATOM 0 HG LEU A 15 4.066 6.961 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.251 8.041 7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.542 7.478 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.412 9.205 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.837 8.855 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.008 9.997 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.532 8.834 4.844 1.00 0.00 H new ATOM 224 N GLY A 16 8.934 7.709 6.018 1.00 0.00 N ATOM 225 CA GLY A 16 10.333 7.540 6.481 1.00 0.00 C ATOM 226 C GLY A 16 10.827 6.190 5.951 1.00 0.00 C ATOM 227 O GLY A 16 11.989 5.850 6.057 1.00 0.00 O ATOM 0 H GLY A 16 8.831 8.091 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.961 8.351 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.384 7.568 7.569 1.00 0.00 H new ATOM 231 N LEU A 17 9.939 5.433 5.348 1.00 0.00 N ATOM 232 CA LEU A 17 10.316 4.128 4.770 1.00 0.00 C ATOM 233 C LEU A 17 10.708 4.376 3.346 1.00 0.00 C ATOM 234 O LEU A 17 10.171 5.241 2.699 1.00 0.00 O ATOM 235 CB LEU A 17 9.119 3.181 4.750 1.00 0.00 C ATOM 236 CG LEU A 17 8.729 2.752 6.156 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.138 1.351 6.076 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.946 2.718 7.061 1.00 0.00 C ATOM 0 H LEU A 17 8.956 5.680 5.237 1.00 0.00 H new ATOM 0 HA LEU A 17 11.118 3.685 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.273 3.672 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.359 2.301 4.153 1.00 0.00 H new ATOM 0 HG LEU A 17 8.009 3.461 6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.850 1.020 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.260 1.363 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.880 0.666 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.646 2.409 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.674 2.010 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.393 3.711 7.107 1.00 0.00 H new ATOM 250 N ARG A 18 11.610 3.634 2.832 1.00 0.00 N ATOM 251 CA ARG A 18 11.974 3.875 1.427 1.00 0.00 C ATOM 252 C ARG A 18 12.256 2.558 0.742 1.00 0.00 C ATOM 253 O ARG A 18 12.723 1.619 1.348 1.00 0.00 O ATOM 254 CB ARG A 18 13.170 4.800 1.368 1.00 0.00 C ATOM 255 CG ARG A 18 14.182 4.419 2.451 1.00 0.00 C ATOM 256 CD ARG A 18 14.972 3.188 2.004 1.00 0.00 C ATOM 257 NE ARG A 18 16.431 3.454 2.153 1.00 0.00 N ATOM 258 CZ ARG A 18 17.051 3.095 3.243 1.00 0.00 C ATOM 259 NH1 ARG A 18 16.820 1.924 3.771 1.00 0.00 N ATOM 260 NH2 ARG A 18 17.902 3.908 3.807 1.00 0.00 N ATOM 0 H ARG A 18 12.109 2.881 3.306 1.00 0.00 H new ATOM 0 HA ARG A 18 11.148 4.355 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.638 4.741 0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.849 5.832 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.861 5.251 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.666 4.212 3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.686 2.322 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.739 2.950 0.966 1.00 0.00 H new ATOM 0 HE ARG A 18 16.944 3.917 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.154 1.289 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.305 1.644 4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.082 4.824 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.387 3.628 4.659 1.00 0.00 H new ATOM 274 N CYS A 19 11.971 2.479 -0.512 1.00 0.00 N ATOM 275 CA CYS A 19 12.205 1.200 -1.232 1.00 0.00 C ATOM 276 C CYS A 19 13.596 0.689 -0.888 1.00 0.00 C ATOM 277 O CYS A 19 14.527 1.464 -0.782 1.00 0.00 O ATOM 278 CB CYS A 19 12.095 1.437 -2.735 1.00 0.00 C ATOM 279 SG CYS A 19 12.733 0.002 -3.637 1.00 0.00 S ATOM 0 H CYS A 19 11.587 3.237 -1.076 1.00 0.00 H new ATOM 0 HA CYS A 19 11.461 0.461 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.055 1.616 -3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.655 2.330 -3.013 1.00 0.00 H new ATOM 0 HG CYS A 19 12.340 0.058 -4.875 1.00 0.00 H new ATOM 285 N PRO A 20 13.708 -0.604 -0.731 1.00 0.00 N ATOM 286 CA PRO A 20 12.584 -1.567 -0.855 1.00 0.00 C ATOM 287 C PRO A 20 11.855 -1.765 0.488 1.00 0.00 C ATOM 288 O PRO A 20 11.005 -2.614 0.612 1.00 0.00 O ATOM 289 CB PRO A 20 13.295 -2.871 -1.206 1.00 0.00 C ATOM 290 CG PRO A 20 14.739 -2.737 -0.660 1.00 0.00 C ATOM 291 CD PRO A 20 15.002 -1.237 -0.441 1.00 0.00 C ATOM 0 HA PRO A 20 11.838 -1.234 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.787 -3.724 -0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.300 -3.034 -2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.850 -3.288 0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.458 -3.155 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.326 -1.033 0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.785 -0.868 -1.104 1.00 0.00 H new ATOM 299 N GLU A 21 12.242 -1.046 1.503 1.00 0.00 N ATOM 300 CA GLU A 21 11.635 -1.236 2.871 1.00 0.00 C ATOM 301 C GLU A 21 10.105 -1.195 2.897 1.00 0.00 C ATOM 302 O GLU A 21 9.489 -2.042 3.512 1.00 0.00 O ATOM 303 CB GLU A 21 12.177 -0.180 3.823 1.00 0.00 C ATOM 304 CG GLU A 21 13.573 -0.583 4.299 1.00 0.00 C ATOM 305 CD GLU A 21 13.462 -1.765 5.263 1.00 0.00 C ATOM 306 OE1 GLU A 21 12.387 -2.335 5.348 1.00 0.00 O ATOM 307 OE2 GLU A 21 14.454 -2.080 5.900 1.00 0.00 O ATOM 0 H GLU A 21 12.961 -0.324 1.453 1.00 0.00 H new ATOM 0 HA GLU A 21 11.921 -2.240 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.218 0.788 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.509 -0.069 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.196 -0.853 3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.057 0.259 4.794 1.00 0.00 H new ATOM 314 N PRO A 22 9.527 -0.226 2.264 1.00 0.00 N ATOM 315 CA PRO A 22 8.067 -0.086 2.242 1.00 0.00 C ATOM 316 C PRO A 22 7.497 -1.211 1.409 1.00 0.00 C ATOM 317 O PRO A 22 6.793 -2.072 1.898 1.00 0.00 O ATOM 318 CB PRO A 22 7.849 1.283 1.611 1.00 0.00 C ATOM 319 CG PRO A 22 9.143 1.627 0.846 1.00 0.00 C ATOM 320 CD PRO A 22 10.254 0.784 1.491 1.00 0.00 C ATOM 0 HA PRO A 22 7.580 -0.146 3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.993 1.267 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.639 2.032 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.043 1.395 -0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.368 2.691 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.895 0.326 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.896 1.391 2.130 1.00 0.00 H new ATOM 328 N VAL A 23 7.842 -1.241 0.166 1.00 0.00 N ATOM 329 CA VAL A 23 7.379 -2.354 -0.694 1.00 0.00 C ATOM 330 C VAL A 23 7.614 -3.661 0.064 1.00 0.00 C ATOM 331 O VAL A 23 6.947 -4.652 -0.156 1.00 0.00 O ATOM 332 CB VAL A 23 8.219 -2.381 -1.965 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.998 -3.708 -2.700 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.821 -1.217 -2.872 1.00 0.00 C ATOM 0 H VAL A 23 8.425 -0.544 -0.297 1.00 0.00 H new ATOM 0 HA VAL A 23 6.326 -2.229 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 23 9.272 -2.286 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.600 -3.725 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.293 -4.535 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.944 -3.809 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.424 -1.240 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.767 -1.304 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.988 -0.275 -2.349 1.00 0.00 H new ATOM 344 N MET A 24 8.578 -3.666 0.955 1.00 0.00 N ATOM 345 CA MET A 24 8.873 -4.909 1.723 1.00 0.00 C ATOM 346 C MET A 24 7.789 -5.137 2.775 1.00 0.00 C ATOM 347 O MET A 24 7.317 -6.241 2.965 1.00 0.00 O ATOM 348 CB MET A 24 10.231 -4.769 2.415 1.00 0.00 C ATOM 349 CG MET A 24 11.338 -5.226 1.463 1.00 0.00 C ATOM 350 SD MET A 24 12.336 -6.503 2.269 1.00 0.00 S ATOM 351 CE MET A 24 11.711 -7.912 1.319 1.00 0.00 C ATOM 0 H MET A 24 9.168 -2.865 1.180 1.00 0.00 H new ATOM 0 HA MET A 24 8.895 -5.757 1.039 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.396 -3.733 2.710 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.250 -5.367 3.326 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.903 -5.616 0.543 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.966 -4.380 1.185 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.201 -8.825 1.657 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.635 -8.002 1.467 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.920 -7.759 0.260 1.00 0.00 H new ATOM 361 N MET A 25 7.389 -4.104 3.461 1.00 0.00 N ATOM 362 CA MET A 25 6.337 -4.267 4.498 1.00 0.00 C ATOM 363 C MET A 25 5.051 -4.756 3.834 1.00 0.00 C ATOM 364 O MET A 25 4.375 -5.617 4.351 1.00 0.00 O ATOM 365 CB MET A 25 6.091 -2.929 5.195 1.00 0.00 C ATOM 366 CG MET A 25 7.204 -2.672 6.211 1.00 0.00 C ATOM 367 SD MET A 25 6.478 -2.189 7.797 1.00 0.00 S ATOM 368 CE MET A 25 7.906 -1.277 8.431 1.00 0.00 C ATOM 0 H MET A 25 7.745 -3.155 3.348 1.00 0.00 H new ATOM 0 HA MET A 25 6.661 -4.997 5.240 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.061 -2.124 4.461 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.123 -2.940 5.695 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.811 -3.569 6.335 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.867 -1.886 5.849 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.376 -1.848 9.231 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.624 -1.121 7.626 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.579 -0.312 8.818 1.00 0.00 H new ATOM 378 N VAL A 26 4.710 -4.229 2.689 1.00 0.00 N ATOM 379 CA VAL A 26 3.470 -4.703 2.007 1.00 0.00 C ATOM 380 C VAL A 26 3.646 -6.171 1.637 1.00 0.00 C ATOM 381 O VAL A 26 2.698 -6.911 1.560 1.00 0.00 O ATOM 382 CB VAL A 26 3.229 -3.909 0.724 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.074 -4.533 -0.066 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.859 -2.474 1.064 1.00 0.00 C ATOM 0 H VAL A 26 5.229 -3.499 2.200 1.00 0.00 H new ATOM 0 HA VAL A 26 2.623 -4.568 2.679 1.00 0.00 H new ATOM 0 HB VAL A 26 4.142 -3.927 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.908 -3.962 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.323 -5.563 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.169 -4.519 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.689 -1.914 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.951 -2.465 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.671 -2.012 1.625 1.00 0.00 H new ATOM 394 N ARG A 27 4.856 -6.594 1.393 1.00 0.00 N ATOM 395 CA ARG A 27 5.085 -8.022 1.021 1.00 0.00 C ATOM 396 C ARG A 27 4.747 -8.916 2.203 1.00 0.00 C ATOM 397 O ARG A 27 3.942 -9.802 2.106 1.00 0.00 O ATOM 398 CB ARG A 27 6.552 -8.247 0.660 1.00 0.00 C ATOM 399 CG ARG A 27 6.653 -8.740 -0.782 1.00 0.00 C ATOM 400 CD ARG A 27 7.219 -10.156 -0.785 1.00 0.00 C ATOM 401 NE ARG A 27 7.881 -10.427 -2.093 1.00 0.00 N ATOM 402 CZ ARG A 27 7.963 -11.652 -2.538 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.713 -12.523 -1.919 1.00 0.00 N ATOM 404 NH2 ARG A 27 7.296 -12.004 -3.602 1.00 0.00 N ATOM 0 H ARG A 27 5.695 -6.015 1.435 1.00 0.00 H new ATOM 0 HA ARG A 27 4.452 -8.261 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.113 -7.320 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.996 -8.977 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.671 -8.726 -1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.295 -8.077 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.935 -10.274 0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.421 -10.878 -0.613 1.00 0.00 H new ATOM 0 HE ARG A 27 8.269 -9.658 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.235 -12.247 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.777 -13.480 -2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.711 -11.323 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.359 -12.961 -3.950 1.00 0.00 H new ATOM 418 N LYS A 28 5.369 -8.677 3.314 1.00 0.00 N ATOM 419 CA LYS A 28 5.103 -9.506 4.528 1.00 0.00 C ATOM 420 C LYS A 28 3.619 -9.416 4.852 1.00 0.00 C ATOM 421 O LYS A 28 2.973 -10.393 5.163 1.00 0.00 O ATOM 422 CB LYS A 28 5.920 -8.971 5.705 1.00 0.00 C ATOM 423 CG LYS A 28 7.411 -9.084 5.386 1.00 0.00 C ATOM 424 CD LYS A 28 8.176 -7.979 6.116 1.00 0.00 C ATOM 425 CE LYS A 28 7.761 -7.958 7.588 1.00 0.00 C ATOM 426 NZ LYS A 28 8.935 -7.586 8.427 1.00 0.00 N ATOM 0 H LYS A 28 6.059 -7.937 3.442 1.00 0.00 H new ATOM 0 HA LYS A 28 5.386 -10.543 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.657 -7.931 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.687 -9.534 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.785 -10.062 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.571 -9.002 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.249 -8.149 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.969 -7.013 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.951 -7.244 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.383 -8.936 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.655 -7.571 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.694 -8.283 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.276 -6.644 8.149 1.00 0.00 H new ATOM 440 N THR A 29 3.081 -8.241 4.743 1.00 0.00 N ATOM 441 CA THR A 29 1.635 -8.029 4.990 1.00 0.00 C ATOM 442 C THR A 29 0.881 -8.819 3.932 1.00 0.00 C ATOM 443 O THR A 29 -0.169 -9.380 4.166 1.00 0.00 O ATOM 444 CB THR A 29 1.379 -6.530 4.833 1.00 0.00 C ATOM 445 OG1 THR A 29 1.521 -5.888 6.092 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.010 -6.238 4.256 1.00 0.00 C ATOM 0 H THR A 29 3.595 -7.398 4.487 1.00 0.00 H new ATOM 0 HA THR A 29 1.315 -8.355 5.980 1.00 0.00 H new ATOM 0 HB THR A 29 2.114 -6.141 4.128 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.358 -4.927 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.146 -5.161 4.163 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.101 -6.702 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.773 -6.644 4.921 1.00 0.00 H new ATOM 454 N VAL A 30 1.455 -8.881 2.773 1.00 0.00 N ATOM 455 CA VAL A 30 0.845 -9.642 1.661 1.00 0.00 C ATOM 456 C VAL A 30 0.963 -11.120 2.017 1.00 0.00 C ATOM 457 O VAL A 30 0.169 -11.947 1.615 1.00 0.00 O ATOM 458 CB VAL A 30 1.636 -9.339 0.385 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.387 -10.420 -0.647 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.213 -7.989 -0.200 1.00 0.00 C ATOM 0 H VAL A 30 2.339 -8.427 2.545 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.200 -9.375 1.503 1.00 0.00 H new ATOM 0 HB VAL A 30 2.695 -9.306 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.953 -10.197 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.705 -11.384 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.324 -10.458 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.785 -7.790 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.150 -8.013 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.402 -7.201 0.529 1.00 0.00 H new ATOM 470 N ARG A 31 1.957 -11.436 2.798 1.00 0.00 N ATOM 471 CA ARG A 31 2.168 -12.837 3.239 1.00 0.00 C ATOM 472 C ARG A 31 1.153 -13.146 4.333 1.00 0.00 C ATOM 473 O ARG A 31 0.729 -14.272 4.506 1.00 0.00 O ATOM 474 CB ARG A 31 3.575 -12.989 3.825 1.00 0.00 C ATOM 475 CG ARG A 31 4.638 -12.674 2.765 1.00 0.00 C ATOM 476 CD ARG A 31 6.023 -13.013 3.319 1.00 0.00 C ATOM 477 NE ARG A 31 6.198 -14.492 3.360 1.00 0.00 N ATOM 478 CZ ARG A 31 6.997 -15.080 2.512 1.00 0.00 C ATOM 479 NH1 ARG A 31 8.099 -14.491 2.135 1.00 0.00 N ATOM 480 NH2 ARG A 31 6.694 -16.259 2.041 1.00 0.00 N ATOM 0 H ARG A 31 2.642 -10.769 3.154 1.00 0.00 H new ATOM 0 HA ARG A 31 2.052 -13.514 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.694 -12.320 4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.713 -14.005 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.446 -13.249 1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.592 -11.620 2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.795 -12.563 2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.138 -12.595 4.319 1.00 0.00 H new ATOM 0 HE ARG A 31 5.693 -15.046 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.337 -13.570 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.723 -14.952 1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.833 -16.720 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.318 -16.719 1.378 1.00 0.00 H new ATOM 494 N ASN A 32 0.763 -12.148 5.083 1.00 0.00 N ATOM 495 CA ASN A 32 -0.223 -12.390 6.174 1.00 0.00 C ATOM 496 C ASN A 32 -1.600 -11.885 5.743 1.00 0.00 C ATOM 497 O ASN A 32 -2.555 -11.947 6.492 1.00 0.00 O ATOM 498 CB ASN A 32 0.223 -11.666 7.449 1.00 0.00 C ATOM 499 CG ASN A 32 0.195 -10.151 7.233 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.577 -9.649 6.441 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.013 -9.395 7.916 1.00 0.00 N ATOM 0 H ASN A 32 1.082 -11.184 4.987 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.280 -13.460 6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.433 -11.935 8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.229 -11.983 7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.003 -8.384 7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.661 -9.816 8.581 1.00 0.00 H new ATOM 508 N MET A 33 -1.715 -11.394 4.539 1.00 0.00 N ATOM 509 CA MET A 33 -3.035 -10.898 4.067 1.00 0.00 C ATOM 510 C MET A 33 -3.824 -12.041 3.427 1.00 0.00 C ATOM 511 O MET A 33 -3.310 -13.116 3.188 1.00 0.00 O ATOM 512 CB MET A 33 -2.840 -9.783 3.035 1.00 0.00 C ATOM 513 CG MET A 33 -2.825 -8.425 3.739 1.00 0.00 C ATOM 514 SD MET A 33 -3.499 -7.162 2.630 1.00 0.00 S ATOM 515 CE MET A 33 -5.202 -7.774 2.592 1.00 0.00 C ATOM 0 H MET A 33 -0.953 -11.316 3.865 1.00 0.00 H new ATOM 0 HA MET A 33 -3.586 -10.508 4.923 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.905 -9.934 2.495 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.642 -9.812 2.298 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.414 -8.472 4.655 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.807 -8.164 4.028 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.747 -7.282 1.787 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.198 -8.851 2.423 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.688 -7.558 3.544 1.00 0.00 H new ATOM 525 N GLN A 34 -5.073 -11.804 3.150 1.00 0.00 N ATOM 526 CA GLN A 34 -5.929 -12.846 2.522 1.00 0.00 C ATOM 527 C GLN A 34 -6.617 -12.230 1.307 1.00 0.00 C ATOM 528 O GLN A 34 -6.801 -11.031 1.250 1.00 0.00 O ATOM 529 CB GLN A 34 -6.983 -13.323 3.525 1.00 0.00 C ATOM 530 CG GLN A 34 -6.289 -13.947 4.737 1.00 0.00 C ATOM 531 CD GLN A 34 -7.026 -13.539 6.014 1.00 0.00 C ATOM 532 OE1 GLN A 34 -8.237 -13.604 6.075 1.00 0.00 O ATOM 533 NE2 GLN A 34 -6.341 -13.120 7.041 1.00 0.00 N ATOM 0 H GLN A 34 -5.545 -10.919 3.335 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.322 -13.699 2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.605 -12.486 3.840 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.643 -14.052 3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.277 -15.033 4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.251 -13.619 4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.324 -13.066 6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.822 -12.846 7.898 1.00 0.00 H new ATOM 542 N PRO A 35 -6.970 -13.053 0.361 1.00 0.00 N ATOM 543 CA PRO A 35 -7.629 -12.584 -0.864 1.00 0.00 C ATOM 544 C PRO A 35 -9.041 -12.103 -0.535 1.00 0.00 C ATOM 545 O PRO A 35 -9.836 -12.809 0.054 1.00 0.00 O ATOM 546 CB PRO A 35 -7.622 -13.808 -1.779 1.00 0.00 C ATOM 547 CG PRO A 35 -7.449 -15.037 -0.855 1.00 0.00 C ATOM 548 CD PRO A 35 -6.777 -14.515 0.433 1.00 0.00 C ATOM 0 HA PRO A 35 -7.134 -11.737 -1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.550 -13.875 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.810 -13.748 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.412 -15.496 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.835 -15.800 -1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.240 -14.936 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.720 -14.778 0.468 1.00 0.00 H new ATOM 556 N GLY A 36 -9.331 -10.883 -0.877 1.00 0.00 N ATOM 557 CA GLY A 36 -10.656 -10.304 -0.558 1.00 0.00 C ATOM 558 C GLY A 36 -10.487 -9.455 0.698 1.00 0.00 C ATOM 559 O GLY A 36 -11.411 -9.259 1.462 1.00 0.00 O ATOM 0 H GLY A 36 -8.696 -10.256 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.020 -9.697 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.391 -11.092 -0.394 1.00 0.00 H new ATOM 563 N GLU A 37 -9.292 -8.961 0.924 1.00 0.00 N ATOM 564 CA GLU A 37 -9.046 -8.139 2.142 1.00 0.00 C ATOM 565 C GLU A 37 -8.551 -6.751 1.736 1.00 0.00 C ATOM 566 O GLU A 37 -8.504 -6.418 0.568 1.00 0.00 O ATOM 567 CB GLU A 37 -7.988 -8.823 3.003 1.00 0.00 C ATOM 568 CG GLU A 37 -8.663 -9.820 3.947 1.00 0.00 C ATOM 569 CD GLU A 37 -9.432 -9.060 5.029 1.00 0.00 C ATOM 570 OE1 GLU A 37 -10.506 -8.565 4.728 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.933 -8.986 6.141 1.00 0.00 O ATOM 0 H GLU A 37 -8.482 -9.093 0.318 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.973 -8.039 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.266 -9.338 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.435 -8.080 3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.342 -10.464 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.915 -10.467 4.405 1.00 0.00 H new ATOM 578 N THR A 38 -8.187 -5.931 2.687 1.00 0.00 N ATOM 579 CA THR A 38 -7.707 -4.568 2.332 1.00 0.00 C ATOM 580 C THR A 38 -6.518 -4.166 3.205 1.00 0.00 C ATOM 581 O THR A 38 -6.380 -4.592 4.335 1.00 0.00 O ATOM 582 CB THR A 38 -8.847 -3.569 2.505 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.677 -3.979 3.583 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.661 -3.525 1.213 1.00 0.00 C ATOM 0 H THR A 38 -8.202 -6.145 3.684 1.00 0.00 H new ATOM 0 HA THR A 38 -7.378 -4.570 1.293 1.00 0.00 H new ATOM 0 HB THR A 38 -8.447 -2.579 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.234 -4.697 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.480 -2.814 1.323 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.019 -3.214 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.066 -4.515 1.004 1.00 0.00 H new ATOM 592 N LEU A 39 -5.653 -3.349 2.669 1.00 0.00 N ATOM 593 CA LEU A 39 -4.451 -2.899 3.424 1.00 0.00 C ATOM 594 C LEU A 39 -4.169 -1.432 3.075 1.00 0.00 C ATOM 595 O LEU A 39 -3.846 -1.109 1.950 1.00 0.00 O ATOM 596 CB LEU A 39 -3.254 -3.760 3.002 1.00 0.00 C ATOM 597 CG LEU A 39 -1.949 -3.140 3.508 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.626 -3.695 4.891 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.814 -3.488 2.542 1.00 0.00 C ATOM 0 H LEU A 39 -5.730 -2.969 1.726 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.618 -2.997 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.364 -4.768 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.226 -3.848 1.916 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.059 -2.057 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.697 -3.254 5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.435 -3.451 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.515 -4.778 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.117 -3.048 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.704 -4.571 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.045 -3.094 1.552 1.00 0.00 H new ATOM 611 N LEU A 40 -4.265 -0.544 4.024 1.00 0.00 N ATOM 612 CA LEU A 40 -3.976 0.885 3.730 1.00 0.00 C ATOM 613 C LEU A 40 -2.478 1.100 3.909 1.00 0.00 C ATOM 614 O LEU A 40 -1.838 0.420 4.686 1.00 0.00 O ATOM 615 CB LEU A 40 -4.748 1.783 4.700 1.00 0.00 C ATOM 616 CG LEU A 40 -4.214 3.211 4.603 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.602 3.810 3.250 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.816 4.057 5.727 1.00 0.00 C ATOM 0 H LEU A 40 -4.530 -0.746 4.988 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.281 1.135 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.812 1.764 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.642 1.412 5.719 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.128 3.200 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.221 4.829 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.174 3.207 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.688 3.821 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.436 5.076 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.902 4.068 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.540 3.630 6.691 1.00 0.00 H new ATOM 630 N ILE A 41 -1.897 2.005 3.178 1.00 0.00 N ATOM 631 CA ILE A 41 -0.430 2.203 3.301 1.00 0.00 C ATOM 632 C ILE A 41 -0.065 3.681 3.200 1.00 0.00 C ATOM 633 O ILE A 41 -0.400 4.345 2.244 1.00 0.00 O ATOM 634 CB ILE A 41 0.245 1.444 2.162 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.461 0.085 1.999 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.732 1.268 2.486 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.419 -0.894 1.218 1.00 0.00 C ATOM 0 H ILE A 41 -2.369 2.611 2.507 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.098 1.836 4.272 1.00 0.00 H new ATOM 0 HB ILE A 41 0.168 1.994 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.692 -0.330 2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.409 0.223 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.219 0.726 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.198 2.247 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.838 0.706 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.100 -1.847 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.628 -0.486 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.356 -1.047 1.753 1.00 0.00 H new ATOM 649 N ILE A 42 0.660 4.199 4.156 1.00 0.00 N ATOM 650 CA ILE A 42 1.071 5.609 4.068 1.00 0.00 C ATOM 651 C ILE A 42 2.507 5.627 3.610 1.00 0.00 C ATOM 652 O ILE A 42 3.223 4.661 3.760 1.00 0.00 O ATOM 653 CB ILE A 42 0.983 6.276 5.427 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.380 5.981 6.045 1.00 0.00 C ATOM 655 CG2 ILE A 42 1.167 7.788 5.248 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.703 7.059 7.067 1.00 0.00 C ATOM 0 H ILE A 42 0.979 3.700 4.987 1.00 0.00 H new ATOM 0 HA ILE A 42 0.420 6.145 3.378 1.00 0.00 H new ATOM 0 HB ILE A 42 1.761 5.893 6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.147 5.954 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.373 5.000 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.106 8.279 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.142 7.986 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.384 8.175 4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.676 6.856 7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.060 7.063 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.725 8.032 6.575 1.00 0.00 H new ATOM 668 N ALA A 43 2.943 6.703 3.060 1.00 0.00 N ATOM 669 CA ALA A 43 4.344 6.754 2.605 1.00 0.00 C ATOM 670 C ALA A 43 4.746 8.198 2.398 1.00 0.00 C ATOM 671 O ALA A 43 4.124 8.921 1.658 1.00 0.00 O ATOM 672 CB ALA A 43 4.484 5.989 1.287 1.00 0.00 C ATOM 0 H ALA A 43 2.396 7.550 2.904 1.00 0.00 H new ATOM 0 HA ALA A 43 4.990 6.297 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.521 6.028 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.190 4.950 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.842 6.443 0.533 1.00 0.00 H new ATOM 678 N ASP A 44 5.810 8.614 2.995 1.00 0.00 N ATOM 679 CA ASP A 44 6.263 9.997 2.760 1.00 0.00 C ATOM 680 C ASP A 44 7.431 9.876 1.814 1.00 0.00 C ATOM 681 O ASP A 44 7.734 10.773 1.052 1.00 0.00 O ATOM 682 CB ASP A 44 6.670 10.700 4.061 1.00 0.00 C ATOM 683 CG ASP A 44 7.915 10.060 4.665 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.829 9.748 3.919 1.00 0.00 O ATOM 685 OD2 ASP A 44 7.940 9.900 5.874 1.00 0.00 O ATOM 0 H ASP A 44 6.384 8.062 3.632 1.00 0.00 H new ATOM 0 HA ASP A 44 5.462 10.609 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.859 11.755 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.849 10.651 4.776 1.00 0.00 H new ATOM 690 N ASP A 45 8.065 8.732 1.824 1.00 0.00 N ATOM 691 CA ASP A 45 9.183 8.525 0.883 1.00 0.00 C ATOM 692 C ASP A 45 8.629 8.668 -0.544 1.00 0.00 C ATOM 693 O ASP A 45 7.506 8.283 -0.805 1.00 0.00 O ATOM 694 CB ASP A 45 9.727 7.137 1.129 1.00 0.00 C ATOM 695 CG ASP A 45 10.443 6.596 -0.110 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.625 6.864 -0.252 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.802 5.915 -0.891 1.00 0.00 O ATOM 0 H ASP A 45 7.854 7.946 2.439 1.00 0.00 H new ATOM 0 HA ASP A 45 9.985 9.250 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.418 7.159 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.912 6.467 1.403 1.00 0.00 H new ATOM 702 N PRO A 46 9.415 9.240 -1.416 1.00 0.00 N ATOM 703 CA PRO A 46 9.009 9.477 -2.814 1.00 0.00 C ATOM 704 C PRO A 46 9.112 8.189 -3.623 1.00 0.00 C ATOM 705 O PRO A 46 8.522 8.049 -4.677 1.00 0.00 O ATOM 706 CB PRO A 46 10.022 10.513 -3.306 1.00 0.00 C ATOM 707 CG PRO A 46 11.258 10.391 -2.382 1.00 0.00 C ATOM 708 CD PRO A 46 10.780 9.692 -1.096 1.00 0.00 C ATOM 0 HA PRO A 46 7.977 9.814 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.294 10.327 -4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.602 11.518 -3.262 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.047 9.815 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.672 11.374 -2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.426 8.854 -0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.784 10.375 -0.246 1.00 0.00 H new ATOM 716 N ALA A 47 9.864 7.254 -3.136 1.00 0.00 N ATOM 717 CA ALA A 47 10.028 5.963 -3.866 1.00 0.00 C ATOM 718 C ALA A 47 8.933 4.980 -3.448 1.00 0.00 C ATOM 719 O ALA A 47 8.854 3.879 -3.955 1.00 0.00 O ATOM 720 CB ALA A 47 11.400 5.365 -3.547 1.00 0.00 C ATOM 0 H ALA A 47 10.379 7.322 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 47 9.950 6.149 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.519 4.422 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.181 6.059 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.479 5.187 -2.474 1.00 0.00 H new ATOM 726 N THR A 48 8.090 5.359 -2.530 1.00 0.00 N ATOM 727 CA THR A 48 7.010 4.432 -2.094 1.00 0.00 C ATOM 728 C THR A 48 5.794 4.606 -3.004 1.00 0.00 C ATOM 729 O THR A 48 5.167 3.650 -3.410 1.00 0.00 O ATOM 730 CB THR A 48 6.609 4.756 -0.654 1.00 0.00 C ATOM 731 OG1 THR A 48 6.552 6.167 -0.487 1.00 0.00 O ATOM 732 CG2 THR A 48 7.638 4.161 0.308 1.00 0.00 C ATOM 0 H THR A 48 8.101 6.266 -2.064 1.00 0.00 H new ATOM 0 HA THR A 48 7.370 3.405 -2.152 1.00 0.00 H new ATOM 0 HB THR A 48 5.630 4.328 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.449 6.510 -0.293 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.353 4.392 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.676 3.080 0.176 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.620 4.587 0.100 1.00 0.00 H new ATOM 740 N THR A 49 5.458 5.822 -3.330 1.00 0.00 N ATOM 741 CA THR A 49 4.280 6.047 -4.218 1.00 0.00 C ATOM 742 C THR A 49 4.481 5.260 -5.504 1.00 0.00 C ATOM 743 O THR A 49 3.541 4.805 -6.123 1.00 0.00 O ATOM 744 CB THR A 49 4.149 7.532 -4.584 1.00 0.00 C ATOM 745 OG1 THR A 49 4.873 7.785 -5.780 1.00 0.00 O ATOM 746 CG2 THR A 49 4.712 8.402 -3.466 1.00 0.00 C ATOM 0 H THR A 49 5.943 6.666 -3.024 1.00 0.00 H new ATOM 0 HA THR A 49 3.381 5.725 -3.692 1.00 0.00 H new ATOM 0 HB THR A 49 3.095 7.771 -4.726 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.790 8.732 -6.018 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.613 9.453 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.161 8.212 -2.545 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.765 8.164 -3.315 1.00 0.00 H new ATOM 754 N ARG A 50 5.702 5.131 -5.933 1.00 0.00 N ATOM 755 CA ARG A 50 5.959 4.403 -7.209 1.00 0.00 C ATOM 756 C ARG A 50 6.344 2.941 -6.964 1.00 0.00 C ATOM 757 O ARG A 50 6.003 2.066 -7.735 1.00 0.00 O ATOM 758 CB ARG A 50 7.101 5.095 -7.951 1.00 0.00 C ATOM 759 CG ARG A 50 6.597 6.399 -8.570 1.00 0.00 C ATOM 760 CD ARG A 50 7.754 7.115 -9.270 1.00 0.00 C ATOM 761 NE ARG A 50 7.672 6.875 -10.738 1.00 0.00 N ATOM 762 CZ ARG A 50 7.914 5.687 -11.220 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.005 4.752 -11.140 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.063 5.433 -11.784 1.00 0.00 N ATOM 0 H ARG A 50 6.530 5.494 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 50 5.041 4.418 -7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.922 5.301 -7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.492 4.439 -8.729 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.800 6.190 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.173 7.040 -7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.712 8.184 -9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.707 6.752 -8.884 1.00 0.00 H new ATOM 0 HE ARG A 50 7.427 7.640 -11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.106 4.951 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.194 3.823 -11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.772 6.163 -11.848 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.252 4.504 -12.161 1.00 0.00 H new ATOM 778 N ASP A 51 7.092 2.675 -5.939 1.00 0.00 N ATOM 779 CA ASP A 51 7.546 1.274 -5.693 1.00 0.00 C ATOM 780 C ASP A 51 6.527 0.457 -4.893 1.00 0.00 C ATOM 781 O ASP A 51 6.231 -0.669 -5.235 1.00 0.00 O ATOM 782 CB ASP A 51 8.864 1.315 -4.918 1.00 0.00 C ATOM 783 CG ASP A 51 9.891 2.135 -5.702 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.504 3.139 -6.277 1.00 0.00 O ATOM 785 OD2 ASP A 51 11.047 1.744 -5.714 1.00 0.00 O ATOM 0 H ASP A 51 7.412 3.362 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 51 7.667 0.790 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.706 1.756 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.236 0.303 -4.758 1.00 0.00 H new ATOM 790 N ILE A 52 6.015 0.984 -3.822 1.00 0.00 N ATOM 791 CA ILE A 52 5.050 0.191 -2.999 1.00 0.00 C ATOM 792 C ILE A 52 3.920 -0.367 -3.859 1.00 0.00 C ATOM 793 O ILE A 52 3.627 -1.544 -3.784 1.00 0.00 O ATOM 794 CB ILE A 52 4.503 1.062 -1.860 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.397 0.879 -0.638 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.064 0.662 -1.501 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.724 1.493 0.590 1.00 0.00 C ATOM 0 H ILE A 52 6.217 1.922 -3.477 1.00 0.00 H new ATOM 0 HA ILE A 52 5.576 -0.660 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 52 4.497 2.103 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.586 -0.181 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.364 1.352 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.702 1.295 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.423 0.787 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.045 -0.380 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.366 1.360 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.558 2.557 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.768 1.000 0.765 1.00 0.00 H new ATOM 809 N PRO A 53 3.315 0.466 -4.646 1.00 0.00 N ATOM 810 CA PRO A 53 2.221 0.030 -5.510 1.00 0.00 C ATOM 811 C PRO A 53 2.763 -0.809 -6.645 1.00 0.00 C ATOM 812 O PRO A 53 2.296 -1.893 -6.893 1.00 0.00 O ATOM 813 CB PRO A 53 1.601 1.322 -6.004 1.00 0.00 C ATOM 814 CG PRO A 53 2.668 2.424 -5.822 1.00 0.00 C ATOM 815 CD PRO A 53 3.663 1.896 -4.771 1.00 0.00 C ATOM 0 HA PRO A 53 1.488 -0.596 -5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.308 1.236 -7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.699 1.559 -5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.174 2.634 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.211 3.356 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.695 2.030 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.556 2.419 -3.820 1.00 0.00 H new ATOM 823 N GLY A 54 3.758 -0.339 -7.328 1.00 0.00 N ATOM 824 CA GLY A 54 4.319 -1.162 -8.424 1.00 0.00 C ATOM 825 C GLY A 54 4.568 -2.562 -7.881 1.00 0.00 C ATOM 826 O GLY A 54 4.569 -3.532 -8.612 1.00 0.00 O ATOM 0 H GLY A 54 4.203 0.567 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.628 -1.197 -9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.247 -0.725 -8.792 1.00 0.00 H new ATOM 830 N PHE A 55 4.755 -2.683 -6.592 1.00 0.00 N ATOM 831 CA PHE A 55 4.971 -4.031 -6.011 1.00 0.00 C ATOM 832 C PHE A 55 3.618 -4.742 -5.901 1.00 0.00 C ATOM 833 O PHE A 55 3.455 -5.853 -6.366 1.00 0.00 O ATOM 834 CB PHE A 55 5.621 -3.899 -4.621 1.00 0.00 C ATOM 835 CG PHE A 55 5.176 -5.039 -3.730 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.138 -6.347 -4.228 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.773 -4.783 -2.419 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.696 -7.392 -3.419 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.337 -5.834 -1.608 1.00 0.00 C ATOM 840 CZ PHE A 55 4.295 -7.137 -2.111 1.00 0.00 C ATOM 0 H PHE A 55 4.767 -1.911 -5.926 1.00 0.00 H new ATOM 0 HA PHE A 55 5.636 -4.612 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.707 -3.904 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.345 -2.946 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.452 -6.547 -5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.798 -3.775 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.665 -8.399 -3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.032 -5.639 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.951 -7.947 -1.484 1.00 0.00 H new ATOM 850 N CYS A 56 2.652 -4.126 -5.276 1.00 0.00 N ATOM 851 CA CYS A 56 1.335 -4.795 -5.132 1.00 0.00 C ATOM 852 C CYS A 56 0.829 -5.250 -6.495 1.00 0.00 C ATOM 853 O CYS A 56 0.217 -6.284 -6.621 1.00 0.00 O ATOM 854 CB CYS A 56 0.344 -3.814 -4.523 1.00 0.00 C ATOM 855 SG CYS A 56 0.633 -3.719 -2.740 1.00 0.00 S ATOM 0 H CYS A 56 2.719 -3.196 -4.863 1.00 0.00 H new ATOM 0 HA CYS A 56 1.440 -5.666 -4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.461 -2.830 -4.977 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.678 -4.138 -4.722 1.00 0.00 H new ATOM 0 HG CYS A 56 1.753 -3.098 -2.514 1.00 0.00 H new ATOM 861 N THR A 57 1.073 -4.488 -7.516 1.00 0.00 N ATOM 862 CA THR A 57 0.588 -4.888 -8.866 1.00 0.00 C ATOM 863 C THR A 57 1.316 -6.150 -9.338 1.00 0.00 C ATOM 864 O THR A 57 0.761 -6.971 -10.039 1.00 0.00 O ATOM 865 CB THR A 57 0.857 -3.759 -9.858 1.00 0.00 C ATOM 866 OG1 THR A 57 0.342 -2.540 -9.340 1.00 0.00 O ATOM 867 CG2 THR A 57 0.173 -4.084 -11.185 1.00 0.00 C ATOM 0 H THR A 57 1.586 -3.607 -7.479 1.00 0.00 H new ATOM 0 HA THR A 57 -0.482 -5.089 -8.810 1.00 0.00 H new ATOM 0 HB THR A 57 1.930 -3.656 -10.017 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.516 -1.815 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.362 -3.281 -11.898 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.570 -5.020 -11.579 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.901 -4.183 -11.026 1.00 0.00 H new ATOM 875 N PHE A 58 2.558 -6.296 -8.979 1.00 0.00 N ATOM 876 CA PHE A 58 3.330 -7.492 -9.430 1.00 0.00 C ATOM 877 C PHE A 58 2.872 -8.757 -8.692 1.00 0.00 C ATOM 878 O PHE A 58 2.942 -9.846 -9.229 1.00 0.00 O ATOM 879 CB PHE A 58 4.818 -7.263 -9.161 1.00 0.00 C ATOM 880 CG PHE A 58 5.635 -8.036 -10.168 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.650 -9.436 -10.129 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.376 -7.355 -11.141 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.405 -10.154 -11.062 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.132 -8.074 -12.075 1.00 0.00 C ATOM 885 CZ PHE A 58 7.146 -9.473 -12.036 1.00 0.00 C ATOM 0 H PHE A 58 3.075 -5.641 -8.393 1.00 0.00 H new ATOM 0 HA PHE A 58 3.155 -7.632 -10.497 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.051 -6.200 -9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.069 -7.583 -8.150 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.078 -9.961 -9.378 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.365 -6.275 -11.171 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.417 -11.234 -11.031 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.704 -7.549 -12.825 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.728 -10.027 -12.757 1.00 0.00 H new ATOM 895 N MET A 59 2.430 -8.643 -7.468 1.00 0.00 N ATOM 896 CA MET A 59 2.006 -9.871 -6.728 1.00 0.00 C ATOM 897 C MET A 59 0.530 -10.202 -6.987 1.00 0.00 C ATOM 898 O MET A 59 -0.008 -11.125 -6.410 1.00 0.00 O ATOM 899 CB MET A 59 2.237 -9.681 -5.237 1.00 0.00 C ATOM 900 CG MET A 59 3.634 -10.186 -4.866 1.00 0.00 C ATOM 901 SD MET A 59 3.760 -11.952 -5.243 1.00 0.00 S ATOM 902 CE MET A 59 4.173 -12.512 -3.573 1.00 0.00 C ATOM 0 H MET A 59 2.344 -7.767 -6.953 1.00 0.00 H new ATOM 0 HA MET A 59 2.607 -10.705 -7.090 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.138 -8.628 -4.975 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.481 -10.223 -4.669 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.391 -9.631 -5.419 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.824 -10.015 -3.806 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.763 -13.427 -3.631 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.750 -11.740 -3.063 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.256 -12.707 -3.017 1.00 0.00 H new ATOM 912 N GLU A 60 -0.118 -9.475 -7.860 1.00 0.00 N ATOM 913 CA GLU A 60 -1.554 -9.767 -8.179 1.00 0.00 C ATOM 914 C GLU A 60 -2.492 -9.118 -7.152 1.00 0.00 C ATOM 915 O GLU A 60 -3.592 -9.580 -6.928 1.00 0.00 O ATOM 916 CB GLU A 60 -1.787 -11.281 -8.194 1.00 0.00 C ATOM 917 CG GLU A 60 -2.750 -11.637 -9.328 1.00 0.00 C ATOM 918 CD GLU A 60 -2.295 -12.935 -9.997 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.896 -13.839 -9.281 1.00 0.00 O ATOM 920 OE2 GLU A 60 -2.354 -13.004 -11.214 1.00 0.00 O ATOM 0 H GLU A 60 0.284 -8.688 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.773 -9.349 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.840 -11.804 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.198 -11.606 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.761 -11.752 -8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.781 -10.830 -10.060 1.00 0.00 H new ATOM 927 N HIS A 61 -2.076 -8.047 -6.542 1.00 0.00 N ATOM 928 CA HIS A 61 -2.940 -7.356 -5.551 1.00 0.00 C ATOM 929 C HIS A 61 -3.656 -6.207 -6.253 1.00 0.00 C ATOM 930 O HIS A 61 -3.403 -5.929 -7.408 1.00 0.00 O ATOM 931 CB HIS A 61 -2.067 -6.807 -4.432 1.00 0.00 C ATOM 932 CG HIS A 61 -1.201 -7.912 -3.918 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.474 -9.239 -4.197 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.062 -7.913 -3.156 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.521 -9.979 -3.614 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.367 -9.222 -2.964 1.00 0.00 N ATOM 0 H HIS A 61 -1.163 -7.616 -6.690 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.671 -8.048 -5.133 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.453 -5.985 -4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.687 -6.408 -3.629 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.258 -9.590 -4.747 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.427 -7.033 -2.765 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.476 -11.057 -3.664 1.00 0.00 H new ATOM 944 N GLU A 62 -4.556 -5.539 -5.588 1.00 0.00 N ATOM 945 CA GLU A 62 -5.269 -4.430 -6.265 1.00 0.00 C ATOM 946 C GLU A 62 -5.090 -3.127 -5.508 1.00 0.00 C ATOM 947 O GLU A 62 -5.083 -3.091 -4.299 1.00 0.00 O ATOM 948 CB GLU A 62 -6.755 -4.753 -6.330 1.00 0.00 C ATOM 949 CG GLU A 62 -7.075 -5.465 -7.645 1.00 0.00 C ATOM 950 CD GLU A 62 -8.186 -4.713 -8.378 1.00 0.00 C ATOM 951 OE1 GLU A 62 -9.315 -4.768 -7.919 1.00 0.00 O ATOM 952 OE2 GLU A 62 -7.889 -4.094 -9.388 1.00 0.00 O ATOM 0 H GLU A 62 -4.824 -5.712 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.855 -4.318 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.036 -5.384 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.339 -3.836 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.183 -5.515 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.385 -6.491 -7.448 1.00 0.00 H new ATOM 959 N LEU A 63 -5.002 -2.054 -6.228 1.00 0.00 N ATOM 960 CA LEU A 63 -4.884 -0.718 -5.587 1.00 0.00 C ATOM 961 C LEU A 63 -6.312 -0.243 -5.353 1.00 0.00 C ATOM 962 O LEU A 63 -6.993 0.160 -6.275 1.00 0.00 O ATOM 963 CB LEU A 63 -4.138 0.237 -6.533 1.00 0.00 C ATOM 964 CG LEU A 63 -4.514 1.698 -6.248 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.808 2.180 -4.979 1.00 0.00 C ATOM 966 CD2 LEU A 63 -4.076 2.567 -7.428 1.00 0.00 C ATOM 0 H LEU A 63 -5.007 -2.042 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.327 -0.754 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.062 0.105 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.378 -0.009 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.593 1.772 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.080 3.217 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.112 1.560 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.729 2.107 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.340 3.606 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.997 2.485 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.578 2.230 -8.335 1.00 0.00 H new ATOM 978 N VAL A 64 -6.802 -0.333 -4.150 1.00 0.00 N ATOM 979 CA VAL A 64 -8.190 0.059 -3.910 1.00 0.00 C ATOM 980 C VAL A 64 -8.337 1.590 -3.969 1.00 0.00 C ATOM 981 O VAL A 64 -9.193 2.095 -4.668 1.00 0.00 O ATOM 982 CB VAL A 64 -8.592 -0.528 -2.567 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.964 -0.034 -2.188 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.649 -2.046 -2.690 1.00 0.00 C ATOM 0 H VAL A 64 -6.291 -0.663 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.857 -0.326 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.867 -0.229 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.250 -0.457 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.953 1.054 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.684 -0.341 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.937 -2.478 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.382 -2.322 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.669 -2.425 -2.979 1.00 0.00 H new ATOM 994 N ALA A 65 -7.521 2.348 -3.276 1.00 0.00 N ATOM 995 CA ALA A 65 -7.677 3.838 -3.374 1.00 0.00 C ATOM 996 C ALA A 65 -6.314 4.537 -3.247 1.00 0.00 C ATOM 997 O ALA A 65 -5.555 4.268 -2.370 1.00 0.00 O ATOM 998 CB ALA A 65 -8.599 4.324 -2.255 1.00 0.00 C ATOM 0 H ALA A 65 -6.775 2.016 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.106 4.081 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.715 5.406 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.574 3.848 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.166 4.065 -1.289 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.970 5.430 -4.117 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.652 6.081 -3.973 1.00 0.00 C ATOM 1006 C LYS A 66 -4.793 7.447 -3.327 1.00 0.00 C ATOM 1007 O LYS A 66 -5.848 8.050 -3.317 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.031 6.262 -5.335 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.460 5.116 -6.221 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.723 5.496 -6.998 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.397 5.588 -8.489 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.401 4.808 -9.267 1.00 0.00 N ATOM 0 H LYS A 66 -6.534 5.735 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.026 5.448 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.343 7.212 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.944 6.290 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.659 4.863 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.649 4.229 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.503 4.753 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.110 6.450 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.402 6.630 -8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.395 5.202 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.179 4.871 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.375 3.812 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.351 5.196 -9.096 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.716 7.934 -2.803 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.727 9.266 -2.161 1.00 0.00 C ATOM 1028 C GLU A 67 -2.454 10.027 -2.542 1.00 0.00 C ATOM 1029 O GLU A 67 -1.362 9.678 -2.142 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.790 9.088 -0.657 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.249 9.085 -0.196 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.424 10.085 0.948 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.532 11.267 0.665 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -5.447 9.652 2.089 1.00 0.00 O ATOM 0 H GLU A 67 -2.813 7.459 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.595 9.833 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.307 8.153 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.245 9.892 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.904 9.348 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.536 8.086 0.133 1.00 0.00 H new ATOM 1041 N THR A 68 -2.594 11.066 -3.315 1.00 0.00 N ATOM 1042 CA THR A 68 -1.408 11.865 -3.733 1.00 0.00 C ATOM 1043 C THR A 68 -1.776 13.342 -3.640 1.00 0.00 C ATOM 1044 O THR A 68 -1.298 14.166 -4.396 1.00 0.00 O ATOM 1045 CB THR A 68 -1.040 11.519 -5.178 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.064 11.978 -6.048 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.889 10.004 -5.319 1.00 0.00 C ATOM 0 H THR A 68 -3.487 11.399 -3.679 1.00 0.00 H new ATOM 0 HA THR A 68 -0.556 11.645 -3.089 1.00 0.00 H new ATOM 0 HB THR A 68 -0.098 12.001 -5.439 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.829 11.759 -6.974 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.627 9.759 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.103 9.653 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.830 9.519 -5.059 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.636 13.680 -2.717 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.055 15.105 -2.571 1.00 0.00 C ATOM 1057 C ASP A 69 -1.979 15.894 -1.828 1.00 0.00 C ATOM 1058 O ASP A 69 -2.145 17.056 -1.515 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.360 15.170 -1.786 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.438 14.368 -2.517 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.537 13.178 -2.265 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.147 14.956 -3.318 1.00 0.00 O ATOM 0 H ASP A 69 -3.067 13.032 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.197 15.538 -3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.213 14.771 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.677 16.207 -1.673 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.883 15.267 -1.551 1.00 0.00 N ATOM 1068 CA GLY A 70 0.214 15.942 -0.839 1.00 0.00 C ATOM 1069 C GLY A 70 0.701 15.044 0.277 1.00 0.00 C ATOM 1070 O GLY A 70 -0.055 14.566 1.099 1.00 0.00 O ATOM 0 H GLY A 70 -0.700 14.294 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.030 16.164 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.129 16.894 -0.434 1.00 0.00 H new ATOM 1074 N LEU A 71 1.961 14.815 0.280 1.00 0.00 N ATOM 1075 CA LEU A 71 2.583 13.940 1.305 1.00 0.00 C ATOM 1076 C LEU A 71 1.893 14.127 2.665 1.00 0.00 C ATOM 1077 O LEU A 71 1.453 15.209 3.002 1.00 0.00 O ATOM 1078 CB LEU A 71 4.064 14.283 1.455 1.00 0.00 C ATOM 1079 CG LEU A 71 4.810 13.904 0.185 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.986 14.859 -0.025 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.338 12.475 0.322 1.00 0.00 C ATOM 0 H LEU A 71 2.615 15.203 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 71 2.471 12.905 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.182 15.348 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.486 13.751 2.308 1.00 0.00 H new ATOM 0 HG LEU A 71 4.134 13.970 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.519 14.585 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.614 15.880 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.664 14.794 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.874 12.197 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.014 12.417 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.503 11.791 0.474 1.00 0.00 H new ATOM 1093 N PRO A 72 1.840 13.049 3.401 1.00 0.00 N ATOM 1094 CA PRO A 72 2.384 11.767 2.947 1.00 0.00 C ATOM 1095 C PRO A 72 1.364 11.091 2.034 1.00 0.00 C ATOM 1096 O PRO A 72 0.169 11.237 2.198 1.00 0.00 O ATOM 1097 CB PRO A 72 2.541 10.961 4.220 1.00 0.00 C ATOM 1098 CG PRO A 72 1.531 11.563 5.217 1.00 0.00 C ATOM 1099 CD PRO A 72 1.248 13.005 4.747 1.00 0.00 C ATOM 0 HA PRO A 72 3.319 11.867 2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.336 9.905 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.559 11.028 4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.613 10.976 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.937 11.559 6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.179 13.217 4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.704 13.740 5.410 1.00 0.00 H new ATOM 1107 N TYR A 73 1.827 10.352 1.087 1.00 0.00 N ATOM 1108 CA TYR A 73 0.901 9.651 0.158 1.00 0.00 C ATOM 1109 C TYR A 73 0.213 8.502 0.872 1.00 0.00 C ATOM 1110 O TYR A 73 0.670 8.037 1.893 1.00 0.00 O ATOM 1111 CB TYR A 73 1.669 9.012 -0.971 1.00 0.00 C ATOM 1112 CG TYR A 73 2.783 9.888 -1.425 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.542 10.985 -2.253 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.069 9.562 -1.041 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.611 11.767 -2.691 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.148 10.323 -1.478 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.922 11.437 -2.306 1.00 0.00 C ATOM 1118 OH TYR A 73 5.985 12.199 -2.745 1.00 0.00 O ATOM 0 H TYR A 73 2.819 10.196 0.907 1.00 0.00 H new ATOM 0 HA TYR A 73 0.190 10.394 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.067 8.051 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.996 8.812 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.533 11.227 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.238 8.711 -0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.432 12.623 -3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.153 10.060 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 73 5.691 13.124 -2.879 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.840 7.988 0.302 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.499 6.825 0.905 1.00 0.00 C ATOM 1130 C ARG A 74 -2.066 6.000 -0.215 1.00 0.00 C ATOM 1131 O ARG A 74 -2.404 6.502 -1.252 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.597 7.258 1.848 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.983 7.527 3.205 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.766 8.627 3.925 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.171 9.953 3.601 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.937 10.932 3.200 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.754 11.507 4.039 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -2.885 11.335 1.959 1.00 0.00 N ATOM 0 H ARG A 74 -1.265 8.333 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.783 6.245 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.090 8.154 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.359 6.483 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.988 6.615 3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.942 7.827 3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.812 8.602 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.743 8.459 5.002 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.165 10.097 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.795 11.192 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.352 12.272 3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.246 10.885 1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.483 12.099 1.646 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.171 4.743 -0.021 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.706 3.895 -1.097 1.00 0.00 C ATOM 1154 C TYR A 75 -3.344 2.675 -0.488 1.00 0.00 C ATOM 1155 O TYR A 75 -2.701 1.919 0.213 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.594 3.428 -2.021 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.472 4.426 -2.055 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.588 5.629 -2.752 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.708 4.103 -1.418 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.498 6.512 -2.809 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.799 4.979 -1.457 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.696 6.186 -2.160 1.00 0.00 C ATOM 1163 OH TYR A 75 2.774 7.045 -2.222 1.00 0.00 O ATOM 0 H TYR A 75 -1.911 4.256 0.837 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.430 4.478 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.217 2.462 -1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.988 3.283 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.515 5.879 -3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.791 3.167 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.412 7.442 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.717 4.725 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 75 3.474 6.736 -1.610 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.580 2.434 -0.760 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.174 1.241 -0.206 1.00 0.00 C ATOM 1175 C LEU A 76 -4.926 0.128 -1.205 1.00 0.00 C ATOM 1176 O LEU A 76 -4.846 0.378 -2.390 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.667 1.374 -0.042 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.191 0.063 0.514 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.870 -0.030 2.003 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.681 0.007 0.285 1.00 0.00 C ATOM 0 H LEU A 76 -5.189 3.013 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.738 1.051 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.905 2.197 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.138 1.599 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.716 -0.779 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.248 -0.973 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.790 0.017 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.342 0.800 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.075 -0.930 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.159 0.844 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.887 0.066 -0.784 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.822 -1.084 -0.779 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.605 -2.157 -1.757 1.00 0.00 C ATOM 1194 C ILE A 77 -5.312 -3.425 -1.290 1.00 0.00 C ATOM 1195 O ILE A 77 -4.886 -4.065 -0.349 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.108 -2.396 -1.857 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.412 -1.041 -2.019 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.804 -3.296 -3.056 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.978 -1.237 -2.514 1.00 0.00 C ATOM 0 H ILE A 77 -4.877 -1.376 0.197 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.007 -1.880 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.745 -2.892 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.966 -0.422 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.406 -0.511 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.729 -3.463 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.313 -4.252 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.153 -2.815 -3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.495 -0.266 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.423 -1.838 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.992 -1.747 -3.477 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.391 -3.805 -1.927 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.081 -5.043 -1.470 1.00 0.00 C ATOM 1213 C ARG A 78 -6.255 -6.258 -1.889 1.00 0.00 C ATOM 1214 O ARG A 78 -5.972 -6.463 -3.052 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.487 -5.134 -2.071 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.387 -5.414 -3.567 1.00 0.00 C ATOM 1217 CD ARG A 78 -9.786 -5.377 -4.188 1.00 0.00 C ATOM 1218 NE ARG A 78 -10.572 -6.548 -3.708 1.00 0.00 N ATOM 1219 CZ ARG A 78 -11.046 -7.412 -4.564 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -10.259 -7.942 -5.460 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -12.307 -7.746 -4.524 1.00 0.00 N ATOM 0 H ARG A 78 -6.813 -3.325 -2.722 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.177 -5.017 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.053 -5.926 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.027 -4.203 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.746 -4.673 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.928 -6.388 -3.736 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.292 -4.450 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.714 -5.395 -5.275 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.740 -6.675 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.273 -7.681 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.629 -8.617 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.922 -7.332 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.677 -8.421 -5.193 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.876 -7.070 -0.940 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.079 -8.282 -1.269 1.00 0.00 C ATOM 1237 C LYS A 79 -5.954 -9.187 -2.112 1.00 0.00 C ATOM 1238 O LYS A 79 -6.870 -9.792 -1.609 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.690 -9.002 0.023 1.00 0.00 C ATOM 1240 CG LYS A 79 -4.184 -10.412 -0.296 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.710 -10.525 0.093 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.475 -11.844 0.833 1.00 0.00 C ATOM 1243 NZ LYS A 79 -1.666 -12.757 -0.023 1.00 0.00 N ATOM 0 H LYS A 79 -6.085 -6.945 0.050 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.170 -8.014 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.916 -8.438 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.549 -9.057 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.772 -11.152 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.308 -10.623 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.084 -10.479 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.425 -9.685 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.958 -11.658 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.429 -12.310 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.018 -13.730 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.746 -12.462 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.669 -12.717 0.271 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.696 -9.265 -3.388 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.532 -10.126 -4.269 1.00 0.00 C ATOM 1259 C GLY A 80 -6.246 -9.784 -5.730 1.00 0.00 C ATOM 1260 O GLY A 80 -5.595 -8.804 -6.032 1.00 0.00 O ATOM 0 H GLY A 80 -4.940 -8.768 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.315 -11.177 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.589 -9.974 -4.048 1.00 0.00 H new ATOM 1264 N GLY A 81 -6.731 -10.581 -6.639 1.00 0.00 N ATOM 1265 CA GLY A 81 -6.491 -10.300 -8.083 1.00 0.00 C ATOM 1266 C GLY A 81 -7.737 -10.669 -8.888 1.00 0.00 C ATOM 1267 O GLY A 81 -8.771 -10.064 -8.653 1.00 0.00 O ATOM 1268 OXT GLY A 81 -7.637 -11.548 -9.727 1.00 0.00 O ATOM 0 H GLY A 81 -7.284 -11.416 -6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.253 -9.246 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.633 -10.871 -8.438 1.00 0.00 H new TER 1272 GLY A 81