USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 614 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 SER N :NH3+ -106:sc= 0.0685 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -60:sc= 0.137 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 23 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=-0.063) USER MOD Single : A 29 GLN : amide:sc= 0.781 K(o=0.78,f=-0.0051) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.435 USER MOD Single : A 35 THR OG1 : rot -72:sc= 0.225 USER MOD Single : A 37 ASN : amide:sc= 0.71 K(o=0.71,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 153:sc= 0.399 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.051 2.332 -47.398 1.00 0.00 N ATOM 2 CA SER A 1 -22.561 3.213 -46.317 1.00 0.00 C ATOM 3 C SER A 1 -22.913 4.601 -46.859 1.00 0.00 C ATOM 4 O SER A 1 -22.456 4.988 -47.936 1.00 0.00 O ATOM 5 CB SER A 1 -21.558 3.315 -45.158 1.00 0.00 C ATOM 6 OG SER A 1 -22.175 3.918 -44.030 1.00 0.00 O ATOM 0 H1 SER A 1 -22.779 1.634 -47.649 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.819 2.906 -48.233 1.00 0.00 H new ATOM 0 H3 SER A 1 -21.197 1.838 -47.069 1.00 0.00 H new ATOM 0 HA SER A 1 -23.473 2.761 -45.927 1.00 0.00 H new ATOM 0 HB2 SER A 1 -21.192 2.322 -44.895 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.693 3.902 -45.466 1.00 0.00 H new ATOM 0 HG SER A 1 -21.528 3.977 -43.296 1.00 0.00 H new ATOM 14 N MET A 2 -23.728 5.372 -46.128 1.00 0.00 N ATOM 15 CA MET A 2 -24.186 6.722 -46.504 1.00 0.00 C ATOM 16 C MET A 2 -23.133 7.797 -46.166 1.00 0.00 C ATOM 17 O MET A 2 -23.330 8.639 -45.283 1.00 0.00 O ATOM 18 CB MET A 2 -25.559 7.009 -45.870 1.00 0.00 C ATOM 19 CG MET A 2 -26.655 6.068 -46.385 1.00 0.00 C ATOM 20 SD MET A 2 -28.301 6.432 -45.713 1.00 0.00 S ATOM 21 CE MET A 2 -29.260 5.143 -46.556 1.00 0.00 C ATOM 0 H MET A 2 -24.101 5.066 -45.229 1.00 0.00 H new ATOM 0 HA MET A 2 -24.310 6.761 -47.586 1.00 0.00 H new ATOM 0 HB2 MET A 2 -25.482 6.913 -44.787 1.00 0.00 H new ATOM 0 HB3 MET A 2 -25.843 8.040 -46.079 1.00 0.00 H new ATOM 0 HG2 MET A 2 -26.694 6.130 -47.473 1.00 0.00 H new ATOM 0 HG3 MET A 2 -26.388 5.041 -46.134 1.00 0.00 H new ATOM 0 HE1 MET A 2 -30.306 5.215 -46.260 1.00 0.00 H new ATOM 0 HE2 MET A 2 -29.178 5.276 -47.635 1.00 0.00 H new ATOM 0 HE3 MET A 2 -28.872 4.162 -46.281 1.00 0.00 H new ATOM 31 N ALA A 3 -21.994 7.747 -46.859 1.00 0.00 N ATOM 32 CA ALA A 3 -20.858 8.661 -46.711 1.00 0.00 C ATOM 33 C ALA A 3 -20.218 9.013 -48.071 1.00 0.00 C ATOM 34 O ALA A 3 -20.348 8.273 -49.051 1.00 0.00 O ATOM 35 CB ALA A 3 -19.841 8.024 -45.753 1.00 0.00 C ATOM 0 H ALA A 3 -21.830 7.036 -47.572 1.00 0.00 H new ATOM 0 HA ALA A 3 -21.209 9.605 -46.294 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -18.988 8.692 -45.631 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -20.310 7.855 -44.784 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.502 7.073 -46.163 1.00 0.00 H new ATOM 41 N ASP A 4 -19.520 10.149 -48.128 1.00 0.00 N ATOM 42 CA ASP A 4 -18.856 10.695 -49.322 1.00 0.00 C ATOM 43 C ASP A 4 -17.615 11.529 -48.928 1.00 0.00 C ATOM 44 O ASP A 4 -17.412 11.837 -47.749 1.00 0.00 O ATOM 45 CB ASP A 4 -19.889 11.538 -50.102 1.00 0.00 C ATOM 46 CG ASP A 4 -19.420 11.998 -51.496 1.00 0.00 C ATOM 47 OD1 ASP A 4 -18.526 11.349 -52.090 1.00 0.00 O ATOM 48 OD2 ASP A 4 -19.945 13.019 -51.998 1.00 0.00 O ATOM 0 H ASP A 4 -19.394 10.743 -47.308 1.00 0.00 H new ATOM 0 HA ASP A 4 -18.496 9.886 -49.958 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -20.803 10.955 -50.215 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.142 12.417 -49.510 1.00 0.00 H new ATOM 53 N ARG A 5 -16.797 11.949 -49.905 1.00 0.00 N ATOM 54 CA ARG A 5 -15.618 12.827 -49.720 1.00 0.00 C ATOM 55 C ARG A 5 -15.986 14.317 -49.515 1.00 0.00 C ATOM 56 O ARG A 5 -15.155 15.208 -49.697 1.00 0.00 O ATOM 57 CB ARG A 5 -14.641 12.579 -50.894 1.00 0.00 C ATOM 58 CG ARG A 5 -13.161 12.900 -50.609 1.00 0.00 C ATOM 59 CD ARG A 5 -12.518 11.909 -49.626 1.00 0.00 C ATOM 60 NE ARG A 5 -11.085 12.202 -49.419 1.00 0.00 N ATOM 61 CZ ARG A 5 -10.062 11.764 -50.134 1.00 0.00 C ATOM 62 NH1 ARG A 5 -10.214 10.985 -51.170 1.00 0.00 N ATOM 63 NH2 ARG A 5 -8.846 12.105 -49.817 1.00 0.00 N ATOM 0 H ARG A 5 -16.937 11.682 -50.879 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.119 12.567 -48.787 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.716 11.533 -51.191 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.966 13.176 -51.746 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.604 12.889 -51.546 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.084 13.909 -50.204 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.041 11.952 -48.670 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.631 10.894 -50.006 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.858 12.813 -48.634 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.149 10.692 -51.455 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.398 10.669 -51.695 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.679 12.712 -49.015 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.060 11.765 -50.371 1.00 0.00 H new ATOM 77 N VAL A 6 -17.232 14.584 -49.122 1.00 0.00 N ATOM 78 CA VAL A 6 -17.816 15.893 -48.775 1.00 0.00 C ATOM 79 C VAL A 6 -18.732 15.696 -47.560 1.00 0.00 C ATOM 80 O VAL A 6 -19.442 14.689 -47.476 1.00 0.00 O ATOM 81 CB VAL A 6 -18.608 16.495 -49.960 1.00 0.00 C ATOM 82 CG1 VAL A 6 -19.154 17.892 -49.631 1.00 0.00 C ATOM 83 CG2 VAL A 6 -17.750 16.638 -51.227 1.00 0.00 C ATOM 0 H VAL A 6 -17.918 13.835 -49.029 1.00 0.00 H new ATOM 0 HA VAL A 6 -17.017 16.596 -48.540 1.00 0.00 H new ATOM 0 HB VAL A 6 -19.424 15.794 -50.138 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -19.704 18.279 -50.489 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -19.821 17.829 -48.771 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -18.325 18.561 -49.399 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -18.353 17.065 -52.028 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.904 17.293 -51.021 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -17.384 15.657 -51.531 1.00 0.00 H new ATOM 93 N LEU A 7 -18.720 16.635 -46.608 1.00 0.00 N ATOM 94 CA LEU A 7 -19.494 16.534 -45.362 1.00 0.00 C ATOM 95 C LEU A 7 -21.015 16.597 -45.612 1.00 0.00 C ATOM 96 O LEU A 7 -21.493 17.376 -46.443 1.00 0.00 O ATOM 97 CB LEU A 7 -19.055 17.628 -44.368 1.00 0.00 C ATOM 98 CG LEU A 7 -17.576 17.576 -43.935 1.00 0.00 C ATOM 99 CD1 LEU A 7 -17.278 18.735 -42.983 1.00 0.00 C ATOM 100 CD2 LEU A 7 -17.212 16.273 -43.221 1.00 0.00 C ATOM 0 H LEU A 7 -18.171 17.492 -46.679 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.285 15.557 -44.927 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.250 18.602 -44.817 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -19.679 17.557 -43.477 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.982 17.644 -44.847 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.232 18.696 -42.678 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.474 19.681 -43.489 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.915 18.656 -42.102 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -16.159 16.294 -42.940 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.824 16.165 -42.326 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.393 15.430 -43.888 1.00 0.00 H new ATOM 112 N ARG A 8 -21.778 15.793 -44.858 1.00 0.00 N ATOM 113 CA ARG A 8 -23.254 15.772 -44.865 1.00 0.00 C ATOM 114 C ARG A 8 -23.851 16.887 -43.993 1.00 0.00 C ATOM 115 O ARG A 8 -23.185 17.420 -43.101 1.00 0.00 O ATOM 116 CB ARG A 8 -23.763 14.377 -44.446 1.00 0.00 C ATOM 117 CG ARG A 8 -23.510 13.314 -45.534 1.00 0.00 C ATOM 118 CD ARG A 8 -23.973 11.909 -45.119 1.00 0.00 C ATOM 119 NE ARG A 8 -25.423 11.853 -44.839 1.00 0.00 N ATOM 120 CZ ARG A 8 -26.059 10.907 -44.170 1.00 0.00 C ATOM 121 NH1 ARG A 8 -25.471 9.808 -43.790 1.00 0.00 N ATOM 122 NH2 ARG A 8 -27.318 11.047 -43.868 1.00 0.00 N ATOM 0 H ARG A 8 -21.377 15.119 -44.206 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.593 15.970 -45.882 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.269 14.074 -43.523 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.831 14.430 -44.234 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.028 13.606 -46.447 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -22.445 13.286 -45.766 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.731 11.201 -45.912 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -23.422 11.595 -44.232 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.990 12.621 -45.198 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.486 9.655 -44.007 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -25.995 9.101 -43.275 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.819 11.890 -44.148 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.803 10.313 -43.352 1.00 0.00 H new ATOM 136 N GLY A 9 -25.119 17.225 -44.240 1.00 0.00 N ATOM 137 CA GLY A 9 -25.829 18.326 -43.575 1.00 0.00 C ATOM 138 C GLY A 9 -25.427 19.719 -44.085 1.00 0.00 C ATOM 139 O GLY A 9 -24.794 19.858 -45.137 1.00 0.00 O ATOM 0 H GLY A 9 -25.695 16.732 -44.922 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -26.902 18.193 -43.717 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -25.640 18.273 -42.503 1.00 0.00 H new ATOM 143 N SER A 10 -25.820 20.761 -43.346 1.00 0.00 N ATOM 144 CA SER A 10 -25.556 22.176 -43.665 1.00 0.00 C ATOM 145 C SER A 10 -25.436 23.043 -42.398 1.00 0.00 C ATOM 146 O SER A 10 -25.760 22.594 -41.292 1.00 0.00 O ATOM 147 CB SER A 10 -26.668 22.703 -44.584 1.00 0.00 C ATOM 148 OG SER A 10 -26.290 23.941 -45.166 1.00 0.00 O ATOM 0 H SER A 10 -26.348 20.644 -42.481 1.00 0.00 H new ATOM 0 HA SER A 10 -24.596 22.238 -44.178 1.00 0.00 H new ATOM 0 HB2 SER A 10 -26.875 21.975 -45.368 1.00 0.00 H new ATOM 0 HB3 SER A 10 -27.589 22.829 -44.014 1.00 0.00 H new ATOM 0 HG SER A 10 -27.009 24.261 -45.750 1.00 0.00 H new ATOM 154 N ARG A 11 -24.970 24.289 -42.553 1.00 0.00 N ATOM 155 CA ARG A 11 -24.775 25.293 -41.489 1.00 0.00 C ATOM 156 C ARG A 11 -25.358 26.649 -41.907 1.00 0.00 C ATOM 157 O ARG A 11 -25.268 27.042 -43.071 1.00 0.00 O ATOM 158 CB ARG A 11 -23.275 25.338 -41.125 1.00 0.00 C ATOM 159 CG ARG A 11 -22.907 26.290 -39.971 1.00 0.00 C ATOM 160 CD ARG A 11 -22.499 27.682 -40.471 1.00 0.00 C ATOM 161 NE ARG A 11 -22.297 28.623 -39.357 1.00 0.00 N ATOM 162 CZ ARG A 11 -21.151 28.981 -38.804 1.00 0.00 C ATOM 163 NH1 ARG A 11 -19.985 28.564 -39.200 1.00 0.00 N ATOM 164 NH2 ARG A 11 -21.127 29.811 -37.810 1.00 0.00 N ATOM 0 H ARG A 11 -24.704 24.647 -43.470 1.00 0.00 H new ATOM 0 HA ARG A 11 -25.321 25.016 -40.587 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -22.952 24.331 -40.861 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -22.712 25.632 -42.011 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -23.757 26.384 -39.296 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -22.088 25.859 -39.395 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.581 27.605 -41.053 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -23.269 28.069 -41.139 1.00 0.00 H new ATOM 0 HE ARG A 11 -23.138 29.048 -38.967 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.914 27.918 -39.986 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.141 28.883 -38.725 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.999 30.196 -37.446 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.237 30.080 -37.391 1.00 0.00 H new ATOM 178 N LEU A 12 -25.961 27.370 -40.957 1.00 0.00 N ATOM 179 CA LEU A 12 -26.683 28.624 -41.205 1.00 0.00 C ATOM 180 C LEU A 12 -25.733 29.802 -41.501 1.00 0.00 C ATOM 181 O LEU A 12 -24.887 30.149 -40.677 1.00 0.00 O ATOM 182 CB LEU A 12 -27.603 28.902 -39.998 1.00 0.00 C ATOM 183 CG LEU A 12 -28.470 30.172 -40.115 1.00 0.00 C ATOM 184 CD1 LEU A 12 -29.451 30.108 -41.289 1.00 0.00 C ATOM 185 CD2 LEU A 12 -29.281 30.357 -38.832 1.00 0.00 C ATOM 0 H LEU A 12 -25.962 27.094 -39.975 1.00 0.00 H new ATOM 0 HA LEU A 12 -27.289 28.517 -42.105 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -28.260 28.044 -39.857 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -26.987 28.983 -39.102 1.00 0.00 H new ATOM 0 HG LEU A 12 -27.788 31.006 -40.281 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -30.036 31.027 -41.325 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -28.897 29.994 -42.221 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -30.120 29.257 -41.158 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -29.894 31.255 -38.915 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -29.925 29.491 -38.681 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -28.603 30.458 -37.984 1.00 0.00 H new ATOM 197 N GLY A 13 -25.908 30.437 -42.665 1.00 0.00 N ATOM 198 CA GLY A 13 -25.296 31.724 -43.040 1.00 0.00 C ATOM 199 C GLY A 13 -23.791 31.725 -43.363 1.00 0.00 C ATOM 200 O GLY A 13 -23.274 32.752 -43.809 1.00 0.00 O ATOM 0 H GLY A 13 -26.502 30.057 -43.402 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -25.828 32.109 -43.910 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -25.466 32.428 -42.225 1.00 0.00 H new ATOM 204 N ALA A 14 -23.083 30.611 -43.153 1.00 0.00 N ATOM 205 CA ALA A 14 -21.633 30.479 -43.345 1.00 0.00 C ATOM 206 C ALA A 14 -21.208 29.019 -43.621 1.00 0.00 C ATOM 207 O ALA A 14 -22.028 28.098 -43.586 1.00 0.00 O ATOM 208 CB ALA A 14 -20.937 31.037 -42.090 1.00 0.00 C ATOM 0 H ALA A 14 -23.518 29.745 -42.833 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.334 31.045 -44.227 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.856 30.952 -42.205 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -21.206 32.085 -41.960 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -21.255 30.470 -41.215 1.00 0.00 H new ATOM 214 N VAL A 15 -19.914 28.804 -43.877 1.00 0.00 N ATOM 215 CA VAL A 15 -19.302 27.472 -44.073 1.00 0.00 C ATOM 216 C VAL A 15 -19.133 26.691 -42.758 1.00 0.00 C ATOM 217 O VAL A 15 -19.198 27.255 -41.661 1.00 0.00 O ATOM 218 CB VAL A 15 -17.956 27.574 -44.825 1.00 0.00 C ATOM 219 CG1 VAL A 15 -18.152 28.140 -46.237 1.00 0.00 C ATOM 220 CG2 VAL A 15 -16.912 28.428 -44.090 1.00 0.00 C ATOM 0 H VAL A 15 -19.240 29.566 -43.957 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.001 26.906 -44.690 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.577 26.553 -44.878 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -17.188 28.200 -46.742 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -18.817 27.487 -46.802 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.590 29.136 -46.172 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.991 28.458 -44.672 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.294 29.441 -43.963 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.709 27.992 -43.112 1.00 0.00 H new ATOM 230 N SER A 16 -18.892 25.381 -42.866 1.00 0.00 N ATOM 231 CA SER A 16 -18.522 24.494 -41.753 1.00 0.00 C ATOM 232 C SER A 16 -17.576 23.381 -42.229 1.00 0.00 C ATOM 233 O SER A 16 -17.672 22.921 -43.370 1.00 0.00 O ATOM 234 CB SER A 16 -19.784 23.893 -41.123 1.00 0.00 C ATOM 235 OG SER A 16 -19.474 23.186 -39.934 1.00 0.00 O ATOM 0 H SER A 16 -18.950 24.890 -43.758 1.00 0.00 H new ATOM 0 HA SER A 16 -17.996 25.082 -41.001 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.497 24.687 -40.902 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.265 23.221 -41.834 1.00 0.00 H new ATOM 0 HG SER A 16 -20.296 22.814 -39.551 1.00 0.00 H new ATOM 241 N TYR A 17 -16.645 22.966 -41.367 1.00 0.00 N ATOM 242 CA TYR A 17 -15.602 21.970 -41.649 1.00 0.00 C ATOM 243 C TYR A 17 -15.149 21.235 -40.371 1.00 0.00 C ATOM 244 O TYR A 17 -15.352 21.710 -39.253 1.00 0.00 O ATOM 245 CB TYR A 17 -14.423 22.638 -42.386 1.00 0.00 C ATOM 246 CG TYR A 17 -13.977 23.993 -41.854 1.00 0.00 C ATOM 247 CD1 TYR A 17 -13.130 24.075 -40.732 1.00 0.00 C ATOM 248 CD2 TYR A 17 -14.404 25.176 -42.493 1.00 0.00 C ATOM 249 CE1 TYR A 17 -12.711 25.329 -40.248 1.00 0.00 C ATOM 250 CE2 TYR A 17 -13.986 26.433 -42.014 1.00 0.00 C ATOM 251 CZ TYR A 17 -13.136 26.513 -40.889 1.00 0.00 C ATOM 252 OH TYR A 17 -12.718 27.723 -40.422 1.00 0.00 O ATOM 0 H TYR A 17 -16.593 23.327 -40.415 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.022 21.206 -42.303 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.570 21.960 -42.353 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.697 22.755 -43.435 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.800 23.172 -40.240 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.054 25.118 -43.353 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.064 25.385 -39.385 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.316 27.336 -42.507 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.099 28.437 -40.975 1.00 0.00 H new ATOM 262 N GLU A 18 -14.529 20.059 -40.532 1.00 0.00 N ATOM 263 CA GLU A 18 -14.180 19.146 -39.422 1.00 0.00 C ATOM 264 C GLU A 18 -12.950 19.587 -38.599 1.00 0.00 C ATOM 265 O GLU A 18 -12.713 19.099 -37.492 1.00 0.00 O ATOM 266 CB GLU A 18 -14.041 17.723 -40.000 1.00 0.00 C ATOM 267 CG GLU A 18 -13.950 16.617 -38.939 1.00 0.00 C ATOM 268 CD GLU A 18 -14.078 15.220 -39.576 1.00 0.00 C ATOM 269 OE1 GLU A 18 -13.079 14.706 -40.137 1.00 0.00 O ATOM 270 OE2 GLU A 18 -15.176 14.615 -39.507 1.00 0.00 O ATOM 0 H GLU A 18 -14.249 19.705 -41.447 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.986 19.171 -38.688 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.895 17.521 -40.647 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.150 17.683 -40.627 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.999 16.693 -38.412 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.737 16.755 -38.198 1.00 0.00 H new ATOM 277 N THR A 19 -12.204 20.563 -39.115 1.00 0.00 N ATOM 278 CA THR A 19 -11.008 21.178 -38.495 1.00 0.00 C ATOM 279 C THR A 19 -9.927 20.147 -38.113 1.00 0.00 C ATOM 280 O THR A 19 -9.263 20.258 -37.084 1.00 0.00 O ATOM 281 CB THR A 19 -11.375 22.124 -37.324 1.00 0.00 C ATOM 282 OG1 THR A 19 -12.559 22.851 -37.590 1.00 0.00 O ATOM 283 CG2 THR A 19 -10.313 23.201 -37.073 1.00 0.00 C ATOM 0 H THR A 19 -12.420 20.974 -40.023 1.00 0.00 H new ATOM 0 HA THR A 19 -10.555 21.802 -39.266 1.00 0.00 H new ATOM 0 HB THR A 19 -11.477 21.458 -36.467 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.434 23.396 -38.395 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.625 23.833 -36.242 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.363 22.725 -36.830 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.195 23.811 -37.968 1.00 0.00 H new ATOM 291 N ASP A 20 -9.705 19.128 -38.949 1.00 0.00 N ATOM 292 CA ASP A 20 -8.748 18.031 -38.704 1.00 0.00 C ATOM 293 C ASP A 20 -7.275 18.396 -39.022 1.00 0.00 C ATOM 294 O ASP A 20 -6.455 17.535 -39.352 1.00 0.00 O ATOM 295 CB ASP A 20 -9.231 16.767 -39.440 1.00 0.00 C ATOM 296 CG ASP A 20 -9.100 16.854 -40.974 1.00 0.00 C ATOM 297 OD1 ASP A 20 -9.630 17.819 -41.579 1.00 0.00 O ATOM 298 OD2 ASP A 20 -8.495 15.941 -41.588 1.00 0.00 O ATOM 0 H ASP A 20 -10.195 19.036 -39.839 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.733 17.832 -37.632 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.660 15.910 -39.084 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.274 16.584 -39.183 1.00 0.00 H new ATOM 303 N ARG A 21 -6.932 19.684 -38.870 1.00 0.00 N ATOM 304 CA ARG A 21 -5.603 20.308 -39.051 1.00 0.00 C ATOM 305 C ARG A 21 -5.392 21.460 -38.043 1.00 0.00 C ATOM 306 O ARG A 21 -4.770 22.474 -38.360 1.00 0.00 O ATOM 307 CB ARG A 21 -5.430 20.795 -40.511 1.00 0.00 C ATOM 308 CG ARG A 21 -5.504 19.682 -41.571 1.00 0.00 C ATOM 309 CD ARG A 21 -5.240 20.204 -42.990 1.00 0.00 C ATOM 310 NE ARG A 21 -3.829 20.600 -43.189 1.00 0.00 N ATOM 311 CZ ARG A 21 -3.339 21.822 -43.316 1.00 0.00 C ATOM 312 NH1 ARG A 21 -4.089 22.888 -43.271 1.00 0.00 N ATOM 313 NH2 ARG A 21 -2.060 22.000 -43.491 1.00 0.00 N ATOM 0 H ARG A 21 -7.630 20.376 -38.595 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.838 19.557 -38.853 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.200 21.536 -40.727 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.468 21.300 -40.600 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.776 18.907 -41.331 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.489 19.216 -41.536 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.504 19.433 -43.713 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.886 21.060 -43.186 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.152 19.839 -43.234 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.096 22.798 -43.133 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.669 23.812 -43.374 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.434 21.196 -43.530 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.685 22.944 -43.589 1.00 0.00 H new ATOM 327 N ASN A 22 -6.001 21.351 -36.858 1.00 0.00 N ATOM 328 CA ASN A 22 -6.226 22.470 -35.934 1.00 0.00 C ATOM 329 C ASN A 22 -4.937 23.157 -35.431 1.00 0.00 C ATOM 330 O ASN A 22 -3.972 22.508 -35.019 1.00 0.00 O ATOM 331 CB ASN A 22 -7.128 22.011 -34.770 1.00 0.00 C ATOM 332 CG ASN A 22 -6.472 20.993 -33.845 1.00 0.00 C ATOM 333 OD1 ASN A 22 -6.320 19.825 -34.175 1.00 0.00 O ATOM 334 ND2 ASN A 22 -6.069 21.392 -32.659 1.00 0.00 N ATOM 0 H ASN A 22 -6.360 20.463 -36.506 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.735 23.247 -36.504 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.421 22.883 -34.185 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.041 21.580 -35.179 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.632 20.729 -32.019 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.193 22.365 -32.379 1.00 0.00 H new ATOM 341 N HIS A 23 -4.969 24.492 -35.422 1.00 0.00 N ATOM 342 CA HIS A 23 -3.993 25.401 -34.807 1.00 0.00 C ATOM 343 C HIS A 23 -4.689 26.731 -34.472 1.00 0.00 C ATOM 344 O HIS A 23 -5.606 27.136 -35.191 1.00 0.00 O ATOM 345 CB HIS A 23 -2.810 25.631 -35.762 1.00 0.00 C ATOM 346 CG HIS A 23 -1.760 26.557 -35.197 1.00 0.00 C ATOM 347 ND1 HIS A 23 -1.135 26.414 -33.954 1.00 0.00 N ATOM 348 CD2 HIS A 23 -1.298 27.695 -35.793 1.00 0.00 C ATOM 349 CE1 HIS A 23 -0.306 27.466 -33.833 1.00 0.00 C ATOM 350 NE2 HIS A 23 -0.385 28.250 -34.922 1.00 0.00 N ATOM 0 H HIS A 23 -5.728 25.003 -35.874 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.605 24.959 -33.889 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.350 24.671 -35.998 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.183 26.044 -36.699 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.590 28.084 -36.757 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.332 27.654 -32.982 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.141 29.110 -35.077 1.00 0.00 H new ATOM 358 N ASP A 24 -4.263 27.412 -33.403 1.00 0.00 N ATOM 359 CA ASP A 24 -4.952 28.591 -32.845 1.00 0.00 C ATOM 360 C ASP A 24 -6.430 28.297 -32.457 1.00 0.00 C ATOM 361 O ASP A 24 -6.844 27.135 -32.370 1.00 0.00 O ATOM 362 CB ASP A 24 -4.746 29.803 -33.778 1.00 0.00 C ATOM 363 CG ASP A 24 -4.750 31.133 -33.007 1.00 0.00 C ATOM 364 OD1 ASP A 24 -5.844 31.713 -32.813 1.00 0.00 O ATOM 365 OD2 ASP A 24 -3.665 31.590 -32.576 1.00 0.00 O ATOM 0 H ASP A 24 -3.418 27.160 -32.890 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.497 28.855 -31.890 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.800 29.695 -34.309 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.534 29.818 -34.531 1.00 0.00 H new ATOM 370 N LEU A 25 -7.223 29.324 -32.134 1.00 0.00 N ATOM 371 CA LEU A 25 -8.627 29.204 -31.717 1.00 0.00 C ATOM 372 C LEU A 25 -9.569 28.918 -32.907 1.00 0.00 C ATOM 373 O LEU A 25 -10.404 29.734 -33.303 1.00 0.00 O ATOM 374 CB LEU A 25 -9.044 30.471 -30.954 1.00 0.00 C ATOM 375 CG LEU A 25 -8.237 30.804 -29.686 1.00 0.00 C ATOM 376 CD1 LEU A 25 -8.769 32.105 -29.088 1.00 0.00 C ATOM 377 CD2 LEU A 25 -8.340 29.709 -28.623 1.00 0.00 C ATOM 0 H LEU A 25 -6.898 30.290 -32.156 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.715 28.345 -31.052 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.974 31.319 -31.636 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.093 30.372 -30.675 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.191 30.894 -29.979 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.204 32.350 -28.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.662 32.910 -29.815 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.822 31.984 -28.833 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.753 29.993 -27.750 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.383 29.580 -28.333 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.958 28.772 -29.028 1.00 0.00 H new ATOM 389 N ALA A 26 -9.463 27.712 -33.454 1.00 0.00 N ATOM 390 CA ALA A 26 -10.162 27.253 -34.641 1.00 0.00 C ATOM 391 C ALA A 26 -11.384 26.398 -34.248 1.00 0.00 C ATOM 392 O ALA A 26 -11.263 25.439 -33.480 1.00 0.00 O ATOM 393 CB ALA A 26 -9.159 26.490 -35.517 1.00 0.00 C ATOM 0 H ALA A 26 -8.855 26.994 -33.059 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.554 28.093 -35.214 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.660 26.134 -36.417 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.341 27.154 -35.796 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.763 25.640 -34.961 1.00 0.00 H new ATOM 399 N PRO A 27 -12.553 26.678 -34.840 1.00 0.00 N ATOM 400 CA PRO A 27 -13.184 28.003 -34.808 1.00 0.00 C ATOM 401 C PRO A 27 -13.924 28.255 -33.483 1.00 0.00 C ATOM 402 O PRO A 27 -15.062 27.810 -33.296 1.00 0.00 O ATOM 403 CB PRO A 27 -14.088 28.051 -36.048 1.00 0.00 C ATOM 404 CG PRO A 27 -13.327 27.178 -37.039 1.00 0.00 C ATOM 405 CD PRO A 27 -12.780 26.074 -36.138 1.00 0.00 C ATOM 0 HA PRO A 27 -12.453 28.811 -34.844 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.083 27.658 -35.841 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.217 29.068 -36.418 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.979 26.783 -37.818 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.530 27.728 -37.539 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.487 25.248 -36.063 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.854 25.665 -36.543 1.00 0.00 H new ATOM 413 N ARG A 28 -13.265 28.942 -32.536 1.00 0.00 N ATOM 414 CA ARG A 28 -13.811 29.251 -31.200 1.00 0.00 C ATOM 415 C ARG A 28 -13.469 30.649 -30.662 1.00 0.00 C ATOM 416 O ARG A 28 -12.594 31.340 -31.181 1.00 0.00 O ATOM 417 CB ARG A 28 -13.448 28.109 -30.232 1.00 0.00 C ATOM 418 CG ARG A 28 -11.975 28.040 -29.801 1.00 0.00 C ATOM 419 CD ARG A 28 -11.781 26.843 -28.858 1.00 0.00 C ATOM 420 NE ARG A 28 -10.388 26.723 -28.388 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.951 25.931 -27.423 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.742 25.119 -26.779 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.695 25.937 -27.079 1.00 0.00 N ATOM 0 H ARG A 28 -12.322 29.305 -32.677 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.895 29.304 -31.296 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.064 28.206 -29.338 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.714 27.162 -30.701 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.332 27.938 -30.675 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.687 28.964 -29.300 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.444 26.948 -27.999 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.069 25.927 -29.373 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.694 27.308 -28.853 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.734 25.080 -27.014 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.369 24.523 -26.040 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.039 26.556 -27.555 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.367 25.323 -26.334 1.00 0.00 H new ATOM 437 N GLN A 29 -14.178 31.047 -29.605 1.00 0.00 N ATOM 438 CA GLN A 29 -14.106 32.324 -28.888 1.00 0.00 C ATOM 439 C GLN A 29 -14.041 32.047 -27.383 1.00 0.00 C ATOM 440 O GLN A 29 -14.998 31.565 -26.786 1.00 0.00 O ATOM 441 CB GLN A 29 -15.351 33.193 -29.162 1.00 0.00 C ATOM 442 CG GLN A 29 -15.673 33.446 -30.645 1.00 0.00 C ATOM 443 CD GLN A 29 -17.073 32.967 -31.005 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.899 33.690 -31.544 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.374 31.722 -30.713 1.00 0.00 N ATOM 0 H GLN A 29 -14.879 30.432 -29.192 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.219 32.856 -29.232 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.214 32.716 -28.698 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.215 34.156 -28.669 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.586 34.511 -30.860 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.941 32.934 -31.269 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.682 31.122 -30.263 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.299 31.355 -30.936 1.00 0.00 H new ATOM 454 N ILE A 30 -12.920 32.356 -26.754 1.00 0.00 N ATOM 455 CA ILE A 30 -12.748 32.259 -25.300 1.00 0.00 C ATOM 456 C ILE A 30 -13.210 33.581 -24.673 1.00 0.00 C ATOM 457 O ILE A 30 -12.528 34.600 -24.794 1.00 0.00 O ATOM 458 CB ILE A 30 -11.287 31.932 -24.917 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.653 30.804 -25.763 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.213 31.603 -23.414 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.429 29.488 -25.816 1.00 0.00 C ATOM 0 H ILE A 30 -12.086 32.687 -27.239 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.353 31.437 -24.916 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.695 32.821 -25.136 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.526 31.169 -26.782 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.657 30.600 -25.371 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.183 31.372 -23.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.557 32.461 -22.836 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.847 30.743 -23.198 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.890 28.773 -26.437 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.534 29.087 -24.808 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.417 29.665 -26.241 1.00 0.00 H new ATOM 473 N ALA A 31 -14.357 33.571 -23.997 1.00 0.00 N ATOM 474 CA ALA A 31 -14.820 34.687 -23.174 1.00 0.00 C ATOM 475 C ALA A 31 -14.467 34.463 -21.694 1.00 0.00 C ATOM 476 O ALA A 31 -14.167 33.345 -21.266 1.00 0.00 O ATOM 477 CB ALA A 31 -16.323 34.882 -23.402 1.00 0.00 C ATOM 0 H ALA A 31 -14.999 32.778 -24.005 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.310 35.604 -23.468 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.679 35.713 -22.792 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.506 35.100 -24.454 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.855 33.973 -23.122 1.00 0.00 H new ATOM 483 N ARG A 32 -14.514 35.534 -20.900 1.00 0.00 N ATOM 484 CA ARG A 32 -14.329 35.510 -19.441 1.00 0.00 C ATOM 485 C ARG A 32 -15.566 36.044 -18.731 1.00 0.00 C ATOM 486 O ARG A 32 -16.237 36.938 -19.250 1.00 0.00 O ATOM 487 CB ARG A 32 -13.062 36.293 -19.048 1.00 0.00 C ATOM 488 CG ARG A 32 -11.882 35.326 -18.929 1.00 0.00 C ATOM 489 CD ARG A 32 -10.541 36.033 -18.724 1.00 0.00 C ATOM 490 NE ARG A 32 -9.490 35.052 -18.382 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.321 34.868 -18.967 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.926 35.578 -19.979 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.524 33.938 -18.532 1.00 0.00 N ATOM 0 H ARG A 32 -14.687 36.472 -21.262 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.193 34.477 -19.122 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.847 37.056 -19.796 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.220 36.810 -18.101 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.059 34.648 -18.094 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.829 34.715 -19.830 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.264 36.572 -19.630 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.630 36.773 -17.928 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.694 34.439 -17.593 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.527 36.312 -20.353 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.014 35.402 -20.401 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.803 33.355 -17.743 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.619 33.791 -18.980 1.00 0.00 H new ATOM 507 N TYR A 33 -15.830 35.528 -17.532 1.00 0.00 N ATOM 508 CA TYR A 33 -16.933 35.970 -16.676 1.00 0.00 C ATOM 509 C TYR A 33 -16.520 36.030 -15.196 1.00 0.00 C ATOM 510 O TYR A 33 -15.760 35.185 -14.726 1.00 0.00 O ATOM 511 CB TYR A 33 -18.150 35.056 -16.843 1.00 0.00 C ATOM 512 CG TYR A 33 -18.748 34.972 -18.230 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.164 34.163 -19.224 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.930 35.675 -18.506 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.783 34.045 -20.482 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.541 35.573 -19.764 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.993 34.723 -20.740 1.00 0.00 C ATOM 518 OH TYR A 33 -20.670 34.520 -21.895 1.00 0.00 O ATOM 0 H TYR A 33 -15.275 34.778 -17.120 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.199 36.979 -16.992 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.866 34.050 -16.533 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.927 35.394 -16.157 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.244 33.635 -19.021 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.373 36.299 -17.744 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.332 33.435 -21.251 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.430 36.146 -19.982 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.328 35.236 -22.019 1.00 0.00 H new ATOM 528 N ARG A 34 -17.037 37.026 -14.465 1.00 0.00 N ATOM 529 CA ARG A 34 -16.766 37.314 -13.045 1.00 0.00 C ATOM 530 C ARG A 34 -17.982 36.995 -12.179 1.00 0.00 C ATOM 531 O ARG A 34 -19.069 37.512 -12.436 1.00 0.00 O ATOM 532 CB ARG A 34 -16.357 38.792 -12.914 1.00 0.00 C ATOM 533 CG ARG A 34 -15.930 39.177 -11.489 1.00 0.00 C ATOM 534 CD ARG A 34 -15.411 40.617 -11.469 1.00 0.00 C ATOM 535 NE ARG A 34 -15.075 41.060 -10.101 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.879 41.144 -9.543 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.774 40.822 -10.153 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.769 41.571 -8.317 1.00 0.00 N ATOM 0 H ARG A 34 -17.694 37.693 -14.870 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.952 36.681 -12.691 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.536 38.997 -13.601 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.193 39.422 -13.219 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.775 39.077 -10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.154 38.497 -11.137 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.528 40.694 -12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.165 41.281 -11.891 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.863 41.335 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.802 40.483 -11.115 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.880 40.909 -9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.603 41.838 -7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.849 41.638 -7.881 1.00 0.00 H new ATOM 552 N THR A 35 -17.801 36.164 -11.157 1.00 0.00 N ATOM 553 CA THR A 35 -18.850 35.741 -10.211 1.00 0.00 C ATOM 554 C THR A 35 -19.135 36.827 -9.171 1.00 0.00 C ATOM 555 O THR A 35 -18.463 37.860 -9.110 1.00 0.00 O ATOM 556 CB THR A 35 -18.497 34.427 -9.499 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.329 34.586 -8.752 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.313 33.264 -10.465 1.00 0.00 C ATOM 0 H THR A 35 -16.893 35.748 -10.950 1.00 0.00 H new ATOM 0 HA THR A 35 -19.747 35.574 -10.807 1.00 0.00 H new ATOM 0 HB THR A 35 -19.339 34.189 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.560 34.647 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.065 32.362 -9.905 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.237 33.103 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.506 33.493 -11.161 1.00 0.00 H new ATOM 566 N ASP A 36 -20.109 36.579 -8.296 1.00 0.00 N ATOM 567 CA ASP A 36 -20.516 37.538 -7.260 1.00 0.00 C ATOM 568 C ASP A 36 -19.547 37.561 -6.060 1.00 0.00 C ATOM 569 O ASP A 36 -19.582 38.470 -5.228 1.00 0.00 O ATOM 570 CB ASP A 36 -21.962 37.226 -6.844 1.00 0.00 C ATOM 571 CG ASP A 36 -22.562 38.304 -5.922 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.727 39.464 -6.373 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.908 37.985 -4.758 1.00 0.00 O ATOM 0 H ASP A 36 -20.641 35.709 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.473 38.546 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.580 37.133 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.989 36.262 -6.335 1.00 0.00 H new ATOM 578 N ASN A 37 -18.637 36.584 -6.006 1.00 0.00 N ATOM 579 CA ASN A 37 -17.569 36.448 -5.021 1.00 0.00 C ATOM 580 C ASN A 37 -16.216 36.980 -5.569 1.00 0.00 C ATOM 581 O ASN A 37 -15.158 36.745 -4.984 1.00 0.00 O ATOM 582 CB ASN A 37 -17.606 34.969 -4.606 1.00 0.00 C ATOM 583 CG ASN A 37 -16.681 34.605 -3.463 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.584 35.285 -2.450 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.023 33.477 -3.570 1.00 0.00 N ATOM 0 H ASN A 37 -18.629 35.826 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.704 37.066 -4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.627 34.711 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.350 34.357 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.425 33.161 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.108 32.915 -4.417 1.00 0.00 H new ATOM 592 N GLY A 38 -16.247 37.689 -6.710 1.00 0.00 N ATOM 593 CA GLY A 38 -15.088 38.253 -7.422 1.00 0.00 C ATOM 594 C GLY A 38 -14.327 37.269 -8.302 1.00 0.00 C ATOM 595 O GLY A 38 -13.301 37.623 -8.883 1.00 0.00 O ATOM 0 H GLY A 38 -17.126 37.895 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.430 39.081 -8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.398 38.669 -6.688 1.00 0.00 H new ATOM 599 N GLU A 39 -14.788 36.024 -8.373 1.00 0.00 N ATOM 600 CA GLU A 39 -14.029 34.920 -8.956 1.00 0.00 C ATOM 601 C GLU A 39 -14.206 34.901 -10.472 1.00 0.00 C ATOM 602 O GLU A 39 -15.327 34.776 -10.964 1.00 0.00 O ATOM 603 CB GLU A 39 -14.395 33.569 -8.318 1.00 0.00 C ATOM 604 CG GLU A 39 -14.671 33.654 -6.815 1.00 0.00 C ATOM 605 CD GLU A 39 -14.252 32.364 -6.088 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.040 32.037 -6.055 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.132 31.697 -5.499 1.00 0.00 O ATOM 0 H GLU A 39 -15.707 35.750 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.973 35.083 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.276 33.168 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.582 32.864 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.131 34.502 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.733 33.837 -6.649 1.00 0.00 H new ATOM 614 N GLU A 40 -13.112 35.031 -11.213 1.00 0.00 N ATOM 615 CA GLU A 40 -13.135 35.113 -12.680 1.00 0.00 C ATOM 616 C GLU A 40 -12.726 33.783 -13.329 1.00 0.00 C ATOM 617 O GLU A 40 -11.666 33.221 -13.034 1.00 0.00 O ATOM 618 CB GLU A 40 -12.218 36.245 -13.173 1.00 0.00 C ATOM 619 CG GLU A 40 -12.876 37.611 -12.964 1.00 0.00 C ATOM 620 CD GLU A 40 -11.962 38.805 -13.299 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.059 38.692 -14.163 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.168 39.883 -12.691 1.00 0.00 O ATOM 0 H GLU A 40 -12.174 35.083 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.161 35.330 -12.978 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.269 36.208 -12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.994 36.103 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.773 37.669 -13.581 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.197 37.693 -11.926 1.00 0.00 H new ATOM 629 N PHE A 41 -13.577 33.302 -14.240 1.00 0.00 N ATOM 630 CA PHE A 41 -13.418 32.055 -14.992 1.00 0.00 C ATOM 631 C PHE A 41 -13.537 32.286 -16.500 1.00 0.00 C ATOM 632 O PHE A 41 -14.074 33.297 -16.955 1.00 0.00 O ATOM 633 CB PHE A 41 -14.467 31.033 -14.533 1.00 0.00 C ATOM 634 CG PHE A 41 -14.334 30.594 -13.086 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.945 31.324 -12.048 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.586 29.443 -12.775 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.797 30.901 -10.722 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.418 29.039 -11.439 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.022 29.773 -10.407 1.00 0.00 C ATOM 0 H PHE A 41 -14.436 33.795 -14.484 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.418 31.668 -14.793 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.459 31.460 -14.679 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.402 30.153 -15.173 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.525 32.206 -12.274 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.137 28.865 -13.570 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.285 31.450 -9.930 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.826 28.166 -11.208 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.892 29.473 -9.378 1.00 0.00 H new ATOM 649 N GLU A 42 -13.082 31.308 -17.279 1.00 0.00 N ATOM 650 CA GLU A 42 -13.102 31.327 -18.740 1.00 0.00 C ATOM 651 C GLU A 42 -14.113 30.326 -19.309 1.00 0.00 C ATOM 652 O GLU A 42 -14.214 29.185 -18.848 1.00 0.00 O ATOM 653 CB GLU A 42 -11.716 31.029 -19.335 1.00 0.00 C ATOM 654 CG GLU A 42 -10.580 31.875 -18.747 1.00 0.00 C ATOM 655 CD GLU A 42 -9.849 31.311 -17.512 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.180 30.213 -17.003 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.916 32.010 -17.041 1.00 0.00 O ATOM 0 H GLU A 42 -12.676 30.453 -16.899 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.402 32.336 -19.023 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.486 29.975 -19.179 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.754 31.191 -20.412 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.841 32.040 -19.531 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.987 32.851 -18.482 1.00 0.00 H new ATOM 664 N VAL A 43 -14.839 30.757 -20.341 1.00 0.00 N ATOM 665 CA VAL A 43 -15.831 29.953 -21.071 1.00 0.00 C ATOM 666 C VAL A 43 -15.526 29.974 -22.581 1.00 0.00 C ATOM 667 O VAL A 43 -15.703 31.010 -23.229 1.00 0.00 O ATOM 668 CB VAL A 43 -17.264 30.439 -20.787 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.288 29.498 -21.434 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.577 30.532 -19.286 1.00 0.00 C ATOM 0 H VAL A 43 -14.753 31.705 -20.707 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.762 28.924 -20.719 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.332 31.439 -21.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.296 29.856 -21.223 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.130 29.474 -22.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.168 28.494 -21.027 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.601 30.880 -19.149 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.463 29.549 -18.829 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.889 31.233 -18.814 1.00 0.00 H new ATOM 680 N PRO A 44 -15.077 28.849 -23.168 1.00 0.00 N ATOM 681 CA PRO A 44 -14.964 28.665 -24.611 1.00 0.00 C ATOM 682 C PRO A 44 -16.343 28.537 -25.279 1.00 0.00 C ATOM 683 O PRO A 44 -17.179 27.723 -24.878 1.00 0.00 O ATOM 684 CB PRO A 44 -14.128 27.397 -24.823 1.00 0.00 C ATOM 685 CG PRO A 44 -13.479 27.120 -23.469 1.00 0.00 C ATOM 686 CD PRO A 44 -14.469 27.725 -22.482 1.00 0.00 C ATOM 0 HA PRO A 44 -14.490 29.532 -25.071 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.752 26.561 -25.140 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.376 27.545 -25.598 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.341 26.052 -23.299 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.496 27.585 -23.390 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.222 26.994 -22.186 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.965 28.049 -21.572 1.00 0.00 H new ATOM 694 N PHE A 45 -16.548 29.318 -26.333 1.00 0.00 N ATOM 695 CA PHE A 45 -17.716 29.291 -27.230 1.00 0.00 C ATOM 696 C PHE A 45 -17.311 28.923 -28.660 1.00 0.00 C ATOM 697 O PHE A 45 -16.293 29.394 -29.154 1.00 0.00 O ATOM 698 CB PHE A 45 -18.405 30.660 -27.229 1.00 0.00 C ATOM 699 CG PHE A 45 -19.255 30.928 -26.003 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.661 31.424 -24.828 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.647 30.719 -26.041 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.451 31.704 -23.703 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.436 30.999 -24.908 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.833 31.476 -23.731 1.00 0.00 C ATOM 0 H PHE A 45 -15.871 30.030 -26.607 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.405 28.530 -26.863 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.644 31.437 -27.307 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.033 30.739 -28.117 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.594 31.590 -24.792 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.111 30.343 -26.941 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.991 32.098 -22.809 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.505 30.847 -24.944 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.432 31.666 -22.853 1.00 0.00 H new ATOM 714 N ALA A 46 -18.125 28.148 -29.369 1.00 0.00 N ATOM 715 CA ALA A 46 -17.872 27.759 -30.761 1.00 0.00 C ATOM 716 C ALA A 46 -18.340 28.847 -31.746 1.00 0.00 C ATOM 717 O ALA A 46 -19.204 29.659 -31.416 1.00 0.00 O ATOM 718 CB ALA A 46 -18.557 26.413 -31.026 1.00 0.00 C ATOM 0 H ALA A 46 -18.992 27.765 -28.992 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.799 27.650 -30.920 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.378 26.110 -32.058 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.151 25.659 -30.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.629 26.511 -30.858 1.00 0.00 H new ATOM 724 N ASP A 47 -17.818 28.846 -32.973 1.00 0.00 N ATOM 725 CA ASP A 47 -18.215 29.778 -34.045 1.00 0.00 C ATOM 726 C ASP A 47 -19.711 29.683 -34.432 1.00 0.00 C ATOM 727 O ASP A 47 -20.281 30.631 -34.973 1.00 0.00 O ATOM 728 CB ASP A 47 -17.313 29.511 -35.259 1.00 0.00 C ATOM 729 CG ASP A 47 -17.648 30.403 -36.464 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.203 31.574 -36.496 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.348 29.919 -37.386 1.00 0.00 O ATOM 0 H ASP A 47 -17.094 28.188 -33.261 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.086 30.796 -33.677 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.273 29.670 -34.974 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.407 28.465 -35.551 1.00 0.00 H new ATOM 736 N ASP A 48 -20.372 28.564 -34.113 1.00 0.00 N ATOM 737 CA ASP A 48 -21.824 28.373 -34.262 1.00 0.00 C ATOM 738 C ASP A 48 -22.656 29.117 -33.188 1.00 0.00 C ATOM 739 O ASP A 48 -23.876 29.244 -33.311 1.00 0.00 O ATOM 740 CB ASP A 48 -22.104 26.864 -34.240 1.00 0.00 C ATOM 741 CG ASP A 48 -23.549 26.517 -34.641 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.946 26.817 -35.792 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.275 25.901 -33.822 1.00 0.00 O ATOM 0 H ASP A 48 -19.901 27.743 -33.734 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.137 28.810 -35.210 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.414 26.362 -34.918 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.907 26.478 -33.240 1.00 0.00 H new ATOM 748 N ALA A 49 -21.994 29.621 -32.141 1.00 0.00 N ATOM 749 CA ALA A 49 -22.563 30.322 -30.990 1.00 0.00 C ATOM 750 C ALA A 49 -22.059 31.779 -30.868 1.00 0.00 C ATOM 751 O ALA A 49 -21.165 32.224 -31.592 1.00 0.00 O ATOM 752 CB ALA A 49 -22.230 29.503 -29.732 1.00 0.00 C ATOM 0 H ALA A 49 -20.979 29.544 -32.073 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.642 30.403 -31.118 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.642 30.001 -28.854 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.664 28.507 -29.821 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.148 29.420 -29.628 1.00 0.00 H new ATOM 758 N GLU A 50 -22.627 32.520 -29.915 1.00 0.00 N ATOM 759 CA GLU A 50 -22.203 33.862 -29.490 1.00 0.00 C ATOM 760 C GLU A 50 -22.116 33.956 -27.954 1.00 0.00 C ATOM 761 O GLU A 50 -22.614 33.076 -27.254 1.00 0.00 O ATOM 762 CB GLU A 50 -23.151 34.916 -30.087 1.00 0.00 C ATOM 763 CG GLU A 50 -24.580 34.874 -29.521 1.00 0.00 C ATOM 764 CD GLU A 50 -25.480 35.908 -30.226 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.511 37.088 -29.798 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.172 35.548 -31.210 1.00 0.00 O ATOM 0 H GLU A 50 -23.436 32.187 -29.390 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.200 34.059 -29.868 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.732 35.907 -29.910 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.196 34.777 -31.167 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.997 33.875 -29.649 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.558 35.075 -28.450 1.00 0.00 H new ATOM 773 N ILE A 51 -21.496 35.021 -27.433 1.00 0.00 N ATOM 774 CA ILE A 51 -21.288 35.309 -26.008 1.00 0.00 C ATOM 775 C ILE A 51 -22.494 36.092 -25.463 1.00 0.00 C ATOM 776 O ILE A 51 -22.679 37.266 -25.809 1.00 0.00 O ATOM 777 CB ILE A 51 -19.986 36.110 -25.763 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.811 35.678 -26.670 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.586 36.053 -24.276 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.352 34.227 -26.526 1.00 0.00 C ATOM 0 H ILE A 51 -21.102 35.749 -28.030 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.191 34.358 -25.484 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.207 37.142 -26.035 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.098 35.846 -27.708 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.961 36.329 -26.465 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.669 36.622 -24.124 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.383 36.481 -23.668 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.423 35.016 -23.983 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.524 34.038 -27.210 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.025 34.049 -25.502 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.179 33.558 -26.764 1.00 0.00 H new ATOM 792 N PRO A 52 -23.322 35.479 -24.608 1.00 0.00 N ATOM 793 CA PRO A 52 -24.349 36.172 -23.847 1.00 0.00 C ATOM 794 C PRO A 52 -23.716 37.035 -22.746 1.00 0.00 C ATOM 795 O PRO A 52 -22.645 36.716 -22.222 1.00 0.00 O ATOM 796 CB PRO A 52 -25.241 35.063 -23.286 1.00 0.00 C ATOM 797 CG PRO A 52 -24.304 33.865 -23.164 1.00 0.00 C ATOM 798 CD PRO A 52 -23.292 34.071 -24.282 1.00 0.00 C ATOM 0 HA PRO A 52 -24.930 36.866 -24.455 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.663 35.340 -22.320 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.078 34.849 -23.950 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.820 33.835 -22.188 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.842 32.924 -23.281 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.295 33.768 -23.963 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.546 33.466 -25.152 1.00 0.00 H new ATOM 806 N GLY A 53 -24.404 38.117 -22.373 1.00 0.00 N ATOM 807 CA GLY A 53 -23.992 39.072 -21.331 1.00 0.00 C ATOM 808 C GLY A 53 -23.581 38.439 -19.994 1.00 0.00 C ATOM 809 O GLY A 53 -22.716 38.980 -19.299 1.00 0.00 O ATOM 0 H GLY A 53 -25.296 38.365 -22.801 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.156 39.660 -21.709 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.813 39.765 -21.150 1.00 0.00 H new ATOM 813 N THR A 54 -24.155 37.285 -19.636 1.00 0.00 N ATOM 814 CA THR A 54 -23.722 36.489 -18.480 1.00 0.00 C ATOM 815 C THR A 54 -23.738 34.975 -18.768 1.00 0.00 C ATOM 816 O THR A 54 -24.409 34.516 -19.698 1.00 0.00 O ATOM 817 CB THR A 54 -24.638 36.731 -17.259 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.975 36.372 -17.548 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.733 38.194 -16.830 1.00 0.00 C ATOM 0 H THR A 54 -24.939 36.874 -20.143 1.00 0.00 H new ATOM 0 HA THR A 54 -22.702 36.811 -18.271 1.00 0.00 H new ATOM 0 HB THR A 54 -24.181 36.129 -16.474 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.430 36.110 -16.720 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.394 38.278 -15.968 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.741 38.560 -16.564 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.131 38.789 -17.652 1.00 0.00 H new ATOM 827 N TRP A 55 -23.000 34.185 -17.975 1.00 0.00 N ATOM 828 CA TRP A 55 -22.869 32.723 -18.107 1.00 0.00 C ATOM 829 C TRP A 55 -22.423 32.062 -16.788 1.00 0.00 C ATOM 830 O TRP A 55 -21.695 32.665 -16.000 1.00 0.00 O ATOM 831 CB TRP A 55 -21.869 32.391 -19.219 1.00 0.00 C ATOM 832 CG TRP A 55 -21.860 30.963 -19.665 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.052 30.001 -19.178 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.669 30.310 -20.690 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.258 28.819 -19.855 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.254 28.948 -20.800 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.704 30.736 -21.548 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.824 28.060 -21.725 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.289 29.854 -22.479 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.850 28.520 -22.570 1.00 0.00 C ATOM 0 H TRP A 55 -22.458 34.558 -17.196 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.851 32.324 -18.360 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.086 33.022 -20.081 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.868 32.654 -18.876 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.345 30.137 -18.373 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.740 27.958 -19.680 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.055 31.756 -21.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.480 27.038 -21.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.079 30.204 -23.127 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.300 27.850 -23.288 1.00 0.00 H new ATOM 851 N LEU A 56 -22.851 30.825 -16.516 1.00 0.00 N ATOM 852 CA LEU A 56 -22.510 30.092 -15.289 1.00 0.00 C ATOM 853 C LEU A 56 -21.014 29.723 -15.234 1.00 0.00 C ATOM 854 O LEU A 56 -20.483 29.081 -16.143 1.00 0.00 O ATOM 855 CB LEU A 56 -23.417 28.851 -15.166 1.00 0.00 C ATOM 856 CG LEU A 56 -24.064 28.677 -13.781 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.108 27.563 -13.830 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.040 28.305 -12.712 1.00 0.00 C ATOM 0 H LEU A 56 -23.452 30.297 -17.149 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.689 30.741 -14.432 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.204 28.915 -15.917 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.830 27.962 -15.395 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.518 29.634 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.562 27.446 -12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.879 27.819 -14.557 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.629 26.628 -14.122 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.542 28.193 -11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.558 27.366 -12.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.288 29.091 -12.639 1.00 0.00 H new ATOM 870 N CYS A 57 -20.341 30.107 -14.150 1.00 0.00 N ATOM 871 CA CYS A 57 -18.919 29.846 -13.918 1.00 0.00 C ATOM 872 C CYS A 57 -18.676 28.563 -13.108 1.00 0.00 C ATOM 873 O CYS A 57 -19.569 28.062 -12.421 1.00 0.00 O ATOM 874 CB CYS A 57 -18.300 31.051 -13.201 1.00 0.00 C ATOM 875 SG CYS A 57 -18.206 32.473 -14.312 1.00 0.00 S ATOM 0 H CYS A 57 -20.781 30.622 -13.388 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.445 29.696 -14.888 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.897 31.306 -12.325 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.302 30.795 -12.844 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.681 33.482 -13.682 1.00 0.00 H new ATOM 881 N ARG A 58 -17.429 28.068 -13.114 1.00 0.00 N ATOM 882 CA ARG A 58 -17.043 26.809 -12.442 1.00 0.00 C ATOM 883 C ARG A 58 -17.113 26.863 -10.907 1.00 0.00 C ATOM 884 O ARG A 58 -17.146 25.808 -10.271 1.00 0.00 O ATOM 885 CB ARG A 58 -15.651 26.339 -12.908 1.00 0.00 C ATOM 886 CG ARG A 58 -15.511 26.217 -14.437 1.00 0.00 C ATOM 887 CD ARG A 58 -14.150 25.639 -14.851 1.00 0.00 C ATOM 888 NE ARG A 58 -14.007 24.217 -14.470 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.915 23.479 -14.572 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.797 23.954 -15.047 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.925 22.233 -14.195 1.00 0.00 N ATOM 0 H ARG A 58 -16.652 28.530 -13.587 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.792 26.078 -12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.900 27.038 -12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.435 25.371 -12.455 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.307 25.580 -14.823 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.640 27.199 -14.891 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.028 25.738 -15.930 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.354 26.220 -14.385 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.835 23.759 -14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.745 24.925 -15.355 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.974 23.354 -15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.779 21.821 -13.818 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.079 21.669 -14.276 1.00 0.00 H new ATOM 905 N ASN A 59 -17.204 28.057 -10.307 1.00 0.00 N ATOM 906 CA ASN A 59 -17.495 28.217 -8.873 1.00 0.00 C ATOM 907 C ASN A 59 -18.952 27.815 -8.506 1.00 0.00 C ATOM 908 O ASN A 59 -19.274 27.543 -7.349 1.00 0.00 O ATOM 909 CB ASN A 59 -17.219 29.684 -8.501 1.00 0.00 C ATOM 910 CG ASN A 59 -17.468 30.063 -7.046 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.358 29.270 -6.121 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.776 31.318 -6.799 1.00 0.00 N ATOM 0 H ASN A 59 -17.078 28.941 -10.801 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.853 27.545 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.180 29.910 -8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.838 30.321 -9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.922 31.628 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.868 31.981 -7.568 1.00 0.00 H new ATOM 919 N GLY A 60 -19.833 27.728 -9.506 1.00 0.00 N ATOM 920 CA GLY A 60 -21.264 27.422 -9.359 1.00 0.00 C ATOM 921 C GLY A 60 -22.157 28.665 -9.219 1.00 0.00 C ATOM 922 O GLY A 60 -23.321 28.545 -8.833 1.00 0.00 O ATOM 0 H GLY A 60 -19.562 27.874 -10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.593 26.846 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.402 26.788 -8.483 1.00 0.00 H new ATOM 926 N MET A 61 -21.621 29.851 -9.532 1.00 0.00 N ATOM 927 CA MET A 61 -22.324 31.137 -9.561 1.00 0.00 C ATOM 928 C MET A 61 -22.445 31.659 -10.999 1.00 0.00 C ATOM 929 O MET A 61 -21.555 31.439 -11.822 1.00 0.00 O ATOM 930 CB MET A 61 -21.577 32.119 -8.646 1.00 0.00 C ATOM 931 CG MET A 61 -22.327 33.434 -8.387 1.00 0.00 C ATOM 932 SD MET A 61 -24.023 33.291 -7.753 1.00 0.00 S ATOM 933 CE MET A 61 -23.695 32.679 -6.076 1.00 0.00 C ATOM 0 H MET A 61 -20.637 29.943 -9.784 1.00 0.00 H new ATOM 0 HA MET A 61 -23.343 31.020 -9.192 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.382 31.631 -7.691 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.609 32.348 -9.091 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.746 34.023 -7.677 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.358 33.998 -9.319 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.639 32.538 -5.549 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.165 31.728 -6.133 1.00 0.00 H new ATOM 0 HE3 MET A 61 -23.084 33.403 -5.537 1.00 0.00 H new ATOM 943 N GLU A 62 -23.524 32.379 -11.310 1.00 0.00 N ATOM 944 CA GLU A 62 -23.668 33.067 -12.596 1.00 0.00 C ATOM 945 C GLU A 62 -22.666 34.227 -12.686 1.00 0.00 C ATOM 946 O GLU A 62 -22.776 35.228 -11.972 1.00 0.00 O ATOM 947 CB GLU A 62 -25.120 33.518 -12.823 1.00 0.00 C ATOM 948 CG GLU A 62 -25.323 34.002 -14.267 1.00 0.00 C ATOM 949 CD GLU A 62 -26.776 34.449 -14.524 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.699 33.598 -14.473 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.005 35.652 -14.800 1.00 0.00 O ATOM 0 H GLU A 62 -24.319 32.502 -10.683 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.435 32.371 -13.402 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.799 32.692 -12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.369 34.320 -12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.646 34.832 -14.470 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.062 33.201 -14.959 1.00 0.00 H new ATOM 958 N GLY A 63 -21.662 34.073 -13.549 1.00 0.00 N ATOM 959 CA GLY A 63 -20.671 35.097 -13.843 1.00 0.00 C ATOM 960 C GLY A 63 -21.173 36.113 -14.870 1.00 0.00 C ATOM 961 O GLY A 63 -21.931 35.767 -15.778 1.00 0.00 O ATOM 0 H GLY A 63 -21.515 33.210 -14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.404 35.616 -12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.763 34.624 -14.217 1.00 0.00 H new ATOM 965 N THR A 64 -20.709 37.359 -14.779 1.00 0.00 N ATOM 966 CA THR A 64 -20.978 38.408 -15.778 1.00 0.00 C ATOM 967 C THR A 64 -19.767 38.655 -16.665 1.00 0.00 C ATOM 968 O THR A 64 -18.642 38.647 -16.175 1.00 0.00 O ATOM 969 CB THR A 64 -21.410 39.722 -15.112 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.538 39.508 -14.288 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.793 40.812 -16.118 1.00 0.00 C ATOM 0 H THR A 64 -20.129 37.678 -14.003 1.00 0.00 H new ATOM 0 HA THR A 64 -21.798 38.048 -16.400 1.00 0.00 H new ATOM 0 HB THR A 64 -20.545 40.056 -14.539 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.802 40.353 -13.868 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.088 41.714 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.939 41.033 -16.758 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.625 40.465 -16.731 1.00 0.00 H new ATOM 979 N LEU A 65 -19.990 38.842 -17.967 1.00 0.00 N ATOM 980 CA LEU A 65 -18.953 39.029 -18.984 1.00 0.00 C ATOM 981 C LEU A 65 -18.099 40.279 -18.671 1.00 0.00 C ATOM 982 O LEU A 65 -18.635 41.388 -18.579 1.00 0.00 O ATOM 983 CB LEU A 65 -19.683 39.076 -20.343 1.00 0.00 C ATOM 984 CG LEU A 65 -18.866 38.872 -21.633 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.768 39.215 -22.822 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.587 39.697 -21.767 1.00 0.00 C ATOM 0 H LEU A 65 -20.932 38.868 -18.357 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.231 38.212 -19.003 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.465 38.316 -20.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.180 40.043 -20.417 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.539 37.833 -21.602 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.213 39.079 -23.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.638 38.559 -22.820 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.095 40.252 -22.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.102 39.465 -22.715 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.834 40.758 -21.736 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.912 39.457 -20.946 1.00 0.00 H new ATOM 998 N ILE A 66 -16.780 40.107 -18.509 1.00 0.00 N ATOM 999 CA ILE A 66 -15.800 41.179 -18.219 1.00 0.00 C ATOM 1000 C ILE A 66 -14.649 41.220 -19.233 1.00 0.00 C ATOM 1001 O ILE A 66 -14.304 40.214 -19.853 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.234 41.132 -16.771 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.288 39.951 -16.440 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.347 41.234 -15.722 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.827 38.568 -16.738 1.00 0.00 C ATOM 0 H ILE A 66 -16.344 39.187 -18.577 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.373 42.101 -18.313 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.598 42.016 -16.727 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.361 40.086 -16.997 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -14.034 40.000 -15.381 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.911 41.197 -14.724 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.882 42.175 -15.850 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.041 40.402 -15.845 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.081 37.821 -16.467 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.736 38.399 -16.160 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.053 38.487 -17.801 1.00 0.00 H new ATOM 1017 N GLU A 67 -14.024 42.391 -19.361 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.811 42.615 -20.159 1.00 0.00 C ATOM 1019 C GLU A 67 -11.562 42.718 -19.264 1.00 0.00 C ATOM 1020 O GLU A 67 -11.597 43.325 -18.189 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.962 43.881 -21.021 1.00 0.00 C ATOM 1022 CG GLU A 67 -14.100 43.788 -22.046 1.00 0.00 C ATOM 1023 CD GLU A 67 -14.170 45.070 -22.898 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.475 45.151 -23.942 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -14.918 46.009 -22.533 1.00 0.00 O ATOM 0 H GLU A 67 -14.356 43.238 -18.899 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.680 41.756 -20.817 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.139 44.736 -20.369 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.025 44.068 -21.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.945 42.924 -22.692 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.049 43.635 -21.531 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.441 42.158 -19.727 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.122 42.289 -19.088 1.00 0.00 C ATOM 1034 C GLY A 68 -8.015 41.558 -19.854 1.00 0.00 C ATOM 1035 O GLY A 68 -6.966 42.134 -20.148 1.00 0.00 O ATOM 0 H GLY A 68 -10.421 41.589 -20.573 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.865 43.345 -19.008 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.175 41.896 -18.073 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.283 40.311 -20.252 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.470 39.519 -21.185 1.00 0.00 C ATOM 1041 C ASP A 69 -8.400 38.640 -22.040 1.00 0.00 C ATOM 1042 O ASP A 69 -8.950 37.648 -21.556 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.438 38.694 -20.396 1.00 0.00 C ATOM 1044 CG ASP A 69 -5.617 37.756 -21.299 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -5.051 38.234 -22.312 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -5.527 36.542 -20.994 1.00 0.00 O ATOM 0 H ASP A 69 -9.104 39.804 -19.921 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.914 40.168 -21.861 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.763 39.370 -19.871 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.953 38.104 -19.638 1.00 0.00 H new ATOM 1051 N LEU A 70 -8.631 39.049 -23.291 1.00 0.00 N ATOM 1052 CA LEU A 70 -9.486 38.373 -24.278 1.00 0.00 C ATOM 1053 C LEU A 70 -8.747 38.195 -25.624 1.00 0.00 C ATOM 1054 O LEU A 70 -7.843 38.985 -25.922 1.00 0.00 O ATOM 1055 CB LEU A 70 -10.804 39.161 -24.441 1.00 0.00 C ATOM 1056 CG LEU A 70 -11.707 39.189 -23.192 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -12.843 40.190 -23.396 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -12.327 37.823 -22.891 1.00 0.00 C ATOM 0 H LEU A 70 -8.209 39.900 -23.663 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.727 37.372 -23.921 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.564 40.187 -24.720 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.367 38.729 -25.268 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.074 39.476 -22.352 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.478 40.205 -22.510 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.427 41.184 -23.562 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.436 39.896 -24.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.954 37.896 -22.002 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.934 37.504 -23.738 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.535 37.094 -22.718 1.00 0.00 H new ATOM 1070 N PRO A 71 -9.124 37.209 -26.466 1.00 0.00 N ATOM 1071 CA PRO A 71 -8.502 36.945 -27.771 1.00 0.00 C ATOM 1072 C PRO A 71 -8.983 37.937 -28.855 1.00 0.00 C ATOM 1073 O PRO A 71 -9.590 37.558 -29.858 1.00 0.00 O ATOM 1074 CB PRO A 71 -8.831 35.477 -28.062 1.00 0.00 C ATOM 1075 CG PRO A 71 -10.213 35.307 -27.433 1.00 0.00 C ATOM 1076 CD PRO A 71 -10.117 36.177 -26.180 1.00 0.00 C ATOM 0 HA PRO A 71 -7.423 37.100 -27.768 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.846 35.271 -29.132 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.099 34.803 -27.617 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.006 35.643 -28.100 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.422 34.266 -27.189 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.083 36.623 -25.943 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.820 35.582 -25.316 1.00 0.00 H new ATOM 1084 N GLU A 72 -8.737 39.228 -28.617 1.00 0.00 N ATOM 1085 CA GLU A 72 -9.114 40.393 -29.430 1.00 0.00 C ATOM 1086 C GLU A 72 -10.517 40.315 -30.093 1.00 0.00 C ATOM 1087 O GLU A 72 -10.618 40.265 -31.327 1.00 0.00 O ATOM 1088 CB GLU A 72 -7.972 40.682 -30.419 1.00 0.00 C ATOM 1089 CG GLU A 72 -6.700 41.185 -29.719 1.00 0.00 C ATOM 1090 CD GLU A 72 -5.603 41.520 -30.748 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -4.796 40.625 -31.101 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -5.531 42.686 -31.209 1.00 0.00 O ATOM 0 H GLU A 72 -8.226 39.512 -27.781 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.239 41.243 -28.759 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.741 39.775 -30.977 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.303 41.426 -31.143 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.932 42.070 -29.127 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.336 40.425 -29.027 1.00 0.00 H new ATOM 1099 N PRO A 73 -11.618 40.318 -29.306 1.00 0.00 N ATOM 1100 CA PRO A 73 -12.986 40.400 -29.836 1.00 0.00 C ATOM 1101 C PRO A 73 -13.270 41.675 -30.653 1.00 0.00 C ATOM 1102 O PRO A 73 -12.534 42.666 -30.582 1.00 0.00 O ATOM 1103 CB PRO A 73 -13.916 40.321 -28.618 1.00 0.00 C ATOM 1104 CG PRO A 73 -13.062 39.640 -27.554 1.00 0.00 C ATOM 1105 CD PRO A 73 -11.667 40.180 -27.854 1.00 0.00 C ATOM 0 HA PRO A 73 -13.145 39.585 -30.542 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.241 41.311 -28.297 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.816 39.746 -28.838 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.388 39.897 -26.546 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.103 38.554 -27.635 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.500 41.138 -27.361 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.895 39.499 -27.496 1.00 0.00 H new ATOM 1113 N LYS A 74 -14.379 41.667 -31.407 1.00 0.00 N ATOM 1114 CA LYS A 74 -14.857 42.814 -32.206 1.00 0.00 C ATOM 1115 C LYS A 74 -15.204 44.048 -31.355 1.00 0.00 C ATOM 1116 O LYS A 74 -15.523 43.935 -30.166 1.00 0.00 O ATOM 1117 CB LYS A 74 -16.042 42.390 -33.099 1.00 0.00 C ATOM 1118 CG LYS A 74 -17.312 42.008 -32.312 1.00 0.00 C ATOM 1119 CD LYS A 74 -18.495 41.645 -33.223 1.00 0.00 C ATOM 1120 CE LYS A 74 -19.046 42.874 -33.961 1.00 0.00 C ATOM 1121 NZ LYS A 74 -20.237 42.529 -34.781 1.00 0.00 N ATOM 0 H LYS A 74 -14.983 40.849 -31.483 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.028 43.122 -32.843 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.281 43.206 -33.781 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.737 41.542 -33.712 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.089 41.163 -31.661 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.598 42.840 -31.668 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.178 40.897 -33.950 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.288 41.194 -32.626 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.312 43.645 -33.238 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.270 43.293 -34.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.584 43.381 -35.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.976 41.811 -35.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.986 42.153 -34.165 1.00 0.00 H new ATOM 1135 N LYS A 75 -15.194 45.230 -31.983 1.00 0.00 N ATOM 1136 CA LYS A 75 -15.618 46.503 -31.372 1.00 0.00 C ATOM 1137 C LYS A 75 -17.127 46.502 -31.079 1.00 0.00 C ATOM 1138 O LYS A 75 -17.925 46.057 -31.907 1.00 0.00 O ATOM 1139 CB LYS A 75 -15.191 47.669 -32.288 1.00 0.00 C ATOM 1140 CG LYS A 75 -15.477 49.077 -31.728 1.00 0.00 C ATOM 1141 CD LYS A 75 -14.606 49.492 -30.527 1.00 0.00 C ATOM 1142 CE LYS A 75 -13.093 49.517 -30.803 1.00 0.00 C ATOM 1143 NZ LYS A 75 -12.701 50.628 -31.713 1.00 0.00 N ATOM 0 H LYS A 75 -14.885 45.334 -32.950 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.126 46.631 -30.408 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.122 47.583 -32.486 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.702 47.565 -33.245 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.336 49.804 -32.527 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.525 49.127 -31.432 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.917 50.483 -30.196 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.799 48.806 -29.702 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.556 49.617 -29.860 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.791 48.567 -31.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.673 50.603 -31.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.192 50.520 -32.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.964 51.538 -31.283 1.00 0.00 H new ATOM 1157 N VAL A 76 -17.504 47.022 -29.911 1.00 0.00 N ATOM 1158 CA VAL A 76 -18.891 47.169 -29.422 1.00 0.00 C ATOM 1159 C VAL A 76 -19.089 48.522 -28.723 1.00 0.00 C ATOM 1160 O VAL A 76 -18.115 49.173 -28.330 1.00 0.00 O ATOM 1161 CB VAL A 76 -19.297 46.008 -28.482 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -19.359 44.669 -29.225 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -18.369 45.851 -27.270 1.00 0.00 C ATOM 0 H VAL A 76 -16.821 47.373 -29.239 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.544 47.131 -30.294 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.289 46.279 -28.119 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -19.647 43.880 -28.530 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -20.094 44.732 -30.028 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.380 44.441 -29.647 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.712 45.019 -26.654 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -17.353 45.654 -27.613 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -18.382 46.768 -26.681 1.00 0.00 H new ATOM 1173 N LYS A 77 -20.349 48.950 -28.560 1.00 0.00 N ATOM 1174 CA LYS A 77 -20.753 50.204 -27.889 1.00 0.00 C ATOM 1175 C LYS A 77 -21.805 49.950 -26.785 1.00 0.00 C ATOM 1176 O LYS A 77 -22.507 48.935 -26.858 1.00 0.00 O ATOM 1177 CB LYS A 77 -21.276 51.213 -28.929 1.00 0.00 C ATOM 1178 CG LYS A 77 -20.181 51.678 -29.905 1.00 0.00 C ATOM 1179 CD LYS A 77 -20.718 52.741 -30.872 1.00 0.00 C ATOM 1180 CE LYS A 77 -19.608 53.187 -31.832 1.00 0.00 C ATOM 1181 NZ LYS A 77 -20.090 54.222 -32.785 1.00 0.00 N ATOM 0 H LYS A 77 -21.148 48.416 -28.903 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.874 50.625 -27.401 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.091 50.759 -29.493 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.690 52.080 -28.413 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.339 52.084 -29.345 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.806 50.824 -30.470 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.559 52.339 -31.437 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.092 53.598 -30.312 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.768 53.582 -31.260 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.238 52.325 -32.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.313 54.500 -33.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.875 53.837 -33.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.420 55.055 -32.256 1.00 0.00 H new ATOM 1195 N PRO A 78 -21.946 50.841 -25.779 1.00 0.00 N ATOM 1196 CA PRO A 78 -22.940 50.697 -24.708 1.00 0.00 C ATOM 1197 C PRO A 78 -24.400 50.657 -25.211 1.00 0.00 C ATOM 1198 O PRO A 78 -24.706 51.258 -26.249 1.00 0.00 O ATOM 1199 CB PRO A 78 -22.718 51.889 -23.767 1.00 0.00 C ATOM 1200 CG PRO A 78 -21.261 52.270 -24.010 1.00 0.00 C ATOM 1201 CD PRO A 78 -21.090 51.990 -25.500 1.00 0.00 C ATOM 0 HA PRO A 78 -22.800 49.738 -24.209 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -23.392 52.714 -23.998 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -22.893 51.616 -22.726 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -21.069 53.316 -23.769 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -20.579 51.673 -23.404 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -21.383 52.853 -26.098 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -20.050 51.773 -25.742 1.00 0.00 H new ATOM 1209 N PRO A 79 -25.323 49.998 -24.481 1.00 0.00 N ATOM 1210 CA PRO A 79 -26.747 49.965 -24.820 1.00 0.00 C ATOM 1211 C PRO A 79 -27.426 51.334 -24.633 1.00 0.00 C ATOM 1212 O PRO A 79 -27.009 52.147 -23.798 1.00 0.00 O ATOM 1213 CB PRO A 79 -27.355 48.891 -23.910 1.00 0.00 C ATOM 1214 CG PRO A 79 -26.463 48.942 -22.671 1.00 0.00 C ATOM 1215 CD PRO A 79 -25.083 49.246 -23.255 1.00 0.00 C ATOM 0 HA PRO A 79 -26.897 49.730 -25.874 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -28.395 49.110 -23.667 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -27.337 47.907 -24.379 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -26.785 49.715 -21.973 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -26.472 47.997 -22.127 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -24.481 49.824 -22.554 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -24.536 48.326 -23.462 1.00 0.00 H new ATOM 1223 N ARG A 80 -28.494 51.580 -25.406 1.00 0.00 N ATOM 1224 CA ARG A 80 -29.303 52.817 -25.413 1.00 0.00 C ATOM 1225 C ARG A 80 -30.805 52.512 -25.490 1.00 0.00 C ATOM 1226 O ARG A 80 -31.574 53.131 -24.721 1.00 0.00 O ATOM 1227 CB ARG A 80 -28.872 53.734 -26.574 1.00 0.00 C ATOM 1228 CG ARG A 80 -27.439 54.278 -26.421 1.00 0.00 C ATOM 1229 CD ARG A 80 -27.075 55.277 -27.530 1.00 0.00 C ATOM 1230 NE ARG A 80 -26.993 54.636 -28.857 1.00 0.00 N ATOM 1231 CZ ARG A 80 -26.849 55.245 -30.017 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -26.752 56.540 -30.117 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -26.798 54.554 -31.119 1.00 0.00 N ATOM 1234 OXT ARG A 80 -31.206 51.652 -26.308 1.00 0.00 O ATOM 0 H ARG A 80 -28.837 50.892 -26.076 1.00 0.00 H new ATOM 0 HA ARG A 80 -29.124 53.336 -24.471 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -28.945 53.181 -27.511 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -29.566 54.572 -26.643 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -27.338 54.763 -25.450 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -26.733 53.447 -26.437 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -27.820 56.072 -27.559 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -26.119 55.745 -27.295 1.00 0.00 H new ATOM 0 HE ARG A 80 -27.054 53.618 -28.879 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -26.787 57.120 -29.279 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -26.641 56.974 -31.033 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -26.870 53.537 -31.087 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -26.686 55.030 -32.014 1.00 0.00 H new TER 1248 ARG A 80