USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot -55:sc= 0.0195 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.257) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 147:sc= -0.309 USER MOD Single : A 21 SER OG : rot -108:sc= 1.12 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0923) USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.237) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.0823 K(o=0.082,f=-3.4!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.197 USER MOD Single : A 39 THR OG1 : rot 65:sc= -0.211 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -179:sc= 0 (180deg=-0.00102) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.061 K(o=-0.061,f=-2.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -134:sc= -0.0117 (180deg=-0.257) USER MOD Single : A 56 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.03) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0739) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.680 22.263 4.590 1.00 0.00 N ATOM 2 CA MET A 1 -12.905 22.146 3.322 1.00 0.00 C ATOM 3 C MET A 1 -11.499 22.727 3.504 1.00 0.00 C ATOM 4 O MET A 1 -11.334 23.911 3.730 1.00 0.00 O ATOM 5 CB MET A 1 -13.695 22.963 2.299 1.00 0.00 C ATOM 6 CG MET A 1 -13.278 22.554 0.885 1.00 0.00 C ATOM 7 SD MET A 1 -14.339 23.384 -0.322 1.00 0.00 S ATOM 8 CE MET A 1 -13.291 23.112 -1.771 1.00 0.00 C ATOM 0 H1 MET A 1 -14.631 21.866 4.453 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.192 21.740 5.345 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.759 23.265 4.858 1.00 0.00 H new ATOM 0 HA MET A 1 -12.781 21.110 3.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.764 22.800 2.435 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.513 24.027 2.449 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.235 22.819 0.711 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.355 21.473 0.770 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.763 23.552 -2.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.319 23.578 -1.610 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.158 22.042 -1.928 1.00 0.00 H new ATOM 20 N LYS A 2 -10.490 21.899 3.406 1.00 0.00 N ATOM 21 CA LYS A 2 -9.090 22.392 3.571 1.00 0.00 C ATOM 22 C LYS A 2 -8.427 22.569 2.202 1.00 0.00 C ATOM 23 O LYS A 2 -8.111 21.607 1.529 1.00 0.00 O ATOM 24 CB LYS A 2 -8.379 21.302 4.375 1.00 0.00 C ATOM 25 CG LYS A 2 -8.660 21.499 5.866 1.00 0.00 C ATOM 26 CD LYS A 2 -9.917 20.719 6.259 1.00 0.00 C ATOM 27 CE LYS A 2 -9.582 19.234 6.394 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.719 18.520 5.749 1.00 0.00 N ATOM 0 H LYS A 2 -10.576 20.900 3.218 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.049 23.360 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.723 20.318 4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.306 21.340 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.809 21.157 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.794 22.558 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.313 21.099 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.694 20.859 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.638 18.997 5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.479 18.947 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.560 17.494 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.603 18.759 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.789 18.808 4.752 1.00 0.00 H new ATOM 42 N LYS A 3 -8.222 23.794 1.787 1.00 0.00 N ATOM 43 CA LYS A 3 -7.585 24.046 0.461 1.00 0.00 C ATOM 44 C LYS A 3 -6.102 23.660 0.498 1.00 0.00 C ATOM 45 O LYS A 3 -5.228 24.505 0.423 1.00 0.00 O ATOM 46 CB LYS A 3 -7.747 25.547 0.213 1.00 0.00 C ATOM 47 CG LYS A 3 -7.705 25.824 -1.291 1.00 0.00 C ATOM 48 CD LYS A 3 -7.186 27.242 -1.537 1.00 0.00 C ATOM 49 CE LYS A 3 -6.402 27.278 -2.850 1.00 0.00 C ATOM 50 NZ LYS A 3 -5.646 28.561 -2.811 1.00 0.00 N ATOM 0 H LYS A 3 -8.470 24.632 2.312 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.044 23.454 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.691 25.896 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.953 26.097 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.060 25.099 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.701 25.711 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.019 27.943 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.547 27.555 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.728 26.425 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.070 27.239 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.083 28.658 -3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.314 29.355 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.013 28.566 -1.986 1.00 0.00 H new ATOM 64 N LYS A 4 -5.816 22.388 0.613 1.00 0.00 N ATOM 65 CA LYS A 4 -4.393 21.932 0.656 1.00 0.00 C ATOM 66 C LYS A 4 -3.716 22.198 -0.706 1.00 0.00 C ATOM 67 O LYS A 4 -3.904 23.249 -1.288 1.00 0.00 O ATOM 68 CB LYS A 4 -4.468 20.433 0.985 1.00 0.00 C ATOM 69 CG LYS A 4 -5.172 20.233 2.333 1.00 0.00 C ATOM 70 CD LYS A 4 -4.470 19.124 3.121 1.00 0.00 C ATOM 71 CE LYS A 4 -3.302 19.719 3.912 1.00 0.00 C ATOM 72 NZ LYS A 4 -3.085 18.776 5.044 1.00 0.00 N ATOM 0 H LYS A 4 -6.509 21.643 0.679 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.795 22.462 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.009 19.905 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.465 20.008 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.158 21.162 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.218 19.973 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.175 18.643 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.107 18.354 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.409 19.805 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.538 20.720 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.298 19.116 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.949 18.720 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.855 17.833 4.671 1.00 0.00 H new ATOM 86 N ASP A 5 -2.933 21.270 -1.226 1.00 0.00 N ATOM 87 CA ASP A 5 -2.263 21.497 -2.544 1.00 0.00 C ATOM 88 C ASP A 5 -1.601 20.191 -3.021 1.00 0.00 C ATOM 89 O ASP A 5 -1.597 19.214 -2.299 1.00 0.00 O ATOM 90 CB ASP A 5 -1.201 22.568 -2.272 1.00 0.00 C ATOM 91 CG ASP A 5 -1.671 23.915 -2.829 1.00 0.00 C ATOM 92 OD1 ASP A 5 -1.886 23.995 -4.027 1.00 0.00 O ATOM 93 OD2 ASP A 5 -1.809 24.841 -2.047 1.00 0.00 O ATOM 0 H ASP A 5 -2.734 20.370 -0.790 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.962 21.809 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.020 22.650 -1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.256 22.282 -2.734 1.00 0.00 H new ATOM 98 N PRO A 6 -1.055 20.206 -4.220 1.00 0.00 N ATOM 99 CA PRO A 6 -0.389 18.989 -4.757 1.00 0.00 C ATOM 100 C PRO A 6 0.907 18.722 -3.989 1.00 0.00 C ATOM 101 O PRO A 6 1.312 17.590 -3.804 1.00 0.00 O ATOM 102 CB PRO A 6 -0.102 19.347 -6.213 1.00 0.00 C ATOM 103 CG PRO A 6 -0.044 20.841 -6.235 1.00 0.00 C ATOM 104 CD PRO A 6 -0.999 21.325 -5.177 1.00 0.00 C ATOM 0 HA PRO A 6 -0.993 18.086 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.838 18.910 -6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.883 18.972 -6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.968 21.192 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.325 21.225 -7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.642 22.240 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -1.982 21.545 -5.595 1.00 0.00 H new ATOM 112 N ASN A 7 1.579 19.769 -3.584 1.00 0.00 N ATOM 113 CA ASN A 7 2.886 19.603 -2.872 1.00 0.00 C ATOM 114 C ASN A 7 2.695 19.176 -1.404 1.00 0.00 C ATOM 115 O ASN A 7 3.657 19.060 -0.666 1.00 0.00 O ATOM 116 CB ASN A 7 3.556 20.980 -2.945 1.00 0.00 C ATOM 117 CG ASN A 7 2.667 22.030 -2.270 1.00 0.00 C ATOM 118 OD1 ASN A 7 2.434 21.970 -1.079 1.00 0.00 O ATOM 119 ND2 ASN A 7 2.161 22.997 -2.986 1.00 0.00 N ATOM 0 H ASN A 7 1.280 20.735 -3.715 1.00 0.00 H new ATOM 0 HA ASN A 7 3.486 18.818 -3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.530 20.947 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.731 21.254 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.570 23.702 -2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.357 23.047 -3.986 1.00 0.00 H new ATOM 126 N ALA A 8 1.483 18.897 -0.982 1.00 0.00 N ATOM 127 CA ALA A 8 1.262 18.430 0.418 1.00 0.00 C ATOM 128 C ALA A 8 1.146 16.896 0.403 1.00 0.00 C ATOM 129 O ALA A 8 0.810 16.330 -0.620 1.00 0.00 O ATOM 130 CB ALA A 8 -0.057 19.071 0.852 1.00 0.00 C ATOM 0 H ALA A 8 0.639 18.974 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 8 2.070 18.701 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.287 18.773 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.032 20.156 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.857 18.741 0.189 1.00 0.00 H new ATOM 136 N PRO A 9 1.435 16.256 1.515 1.00 0.00 N ATOM 137 CA PRO A 9 1.360 14.775 1.566 1.00 0.00 C ATOM 138 C PRO A 9 -0.065 14.277 1.861 1.00 0.00 C ATOM 139 O PRO A 9 -0.258 13.388 2.665 1.00 0.00 O ATOM 140 CB PRO A 9 2.300 14.418 2.711 1.00 0.00 C ATOM 141 CG PRO A 9 2.337 15.627 3.601 1.00 0.00 C ATOM 142 CD PRO A 9 1.862 16.822 2.801 1.00 0.00 C ATOM 0 HA PRO A 9 1.631 14.315 0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.941 13.544 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.295 14.176 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.700 15.476 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.348 15.795 3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.040 17.334 3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.659 17.553 2.668 1.00 0.00 H new ATOM 150 N LYS A 10 -1.059 14.857 1.232 1.00 0.00 N ATOM 151 CA LYS A 10 -2.487 14.450 1.473 1.00 0.00 C ATOM 152 C LYS A 10 -2.671 12.924 1.538 1.00 0.00 C ATOM 153 O LYS A 10 -2.095 12.178 0.772 1.00 0.00 O ATOM 154 CB LYS A 10 -3.260 15.018 0.275 1.00 0.00 C ATOM 155 CG LYS A 10 -4.228 16.103 0.745 1.00 0.00 C ATOM 156 CD LYS A 10 -4.398 17.142 -0.362 1.00 0.00 C ATOM 157 CE LYS A 10 -5.106 16.503 -1.560 1.00 0.00 C ATOM 158 NZ LYS A 10 -5.229 17.598 -2.563 1.00 0.00 N ATOM 0 H LYS A 10 -0.943 15.607 0.551 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.836 14.826 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.564 15.431 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.810 14.220 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.192 15.662 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.849 16.578 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.977 17.989 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.425 17.528 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.532 15.666 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.084 16.113 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.705 17.237 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.786 18.378 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.282 17.944 -2.817 1.00 0.00 H new ATOM 172 N ARG A 11 -3.499 12.474 2.448 1.00 0.00 N ATOM 173 CA ARG A 11 -3.782 11.011 2.596 1.00 0.00 C ATOM 174 C ARG A 11 -2.493 10.175 2.665 1.00 0.00 C ATOM 175 O ARG A 11 -1.909 9.866 1.645 1.00 0.00 O ATOM 176 CB ARG A 11 -4.581 10.630 1.351 1.00 0.00 C ATOM 177 CG ARG A 11 -5.372 9.352 1.631 1.00 0.00 C ATOM 178 CD ARG A 11 -6.730 9.712 2.239 1.00 0.00 C ATOM 179 NE ARG A 11 -7.181 8.474 2.933 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.843 8.558 4.054 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.344 9.226 5.059 1.00 0.00 N ATOM 182 NH2 ARG A 11 -9.004 7.974 4.172 1.00 0.00 N ATOM 0 H ARG A 11 -4.000 13.070 3.107 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.320 10.815 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.259 11.439 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.909 10.478 0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.513 8.790 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.815 8.710 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.642 10.546 2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.440 10.014 1.469 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.972 7.560 2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.436 9.682 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.862 9.291 5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.394 7.452 3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.521 8.040 5.049 1.00 0.00 H new ATOM 196 N PRO A 12 -2.097 9.802 3.866 1.00 0.00 N ATOM 197 CA PRO A 12 -0.883 8.968 4.020 1.00 0.00 C ATOM 198 C PRO A 12 -1.207 7.517 3.617 1.00 0.00 C ATOM 199 O PRO A 12 -2.209 6.979 4.046 1.00 0.00 O ATOM 200 CB PRO A 12 -0.566 9.056 5.507 1.00 0.00 C ATOM 201 CG PRO A 12 -1.870 9.373 6.167 1.00 0.00 C ATOM 202 CD PRO A 12 -2.718 10.113 5.163 1.00 0.00 C ATOM 0 HA PRO A 12 -0.048 9.294 3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.155 8.117 5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.175 9.830 5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.368 8.459 6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.711 9.981 7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.756 9.782 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.719 11.186 5.357 1.00 0.00 H new ATOM 210 N PRO A 13 -0.364 6.922 2.800 1.00 0.00 N ATOM 211 CA PRO A 13 -0.613 5.530 2.360 1.00 0.00 C ATOM 212 C PRO A 13 -0.175 4.546 3.447 1.00 0.00 C ATOM 213 O PRO A 13 0.660 4.860 4.275 1.00 0.00 O ATOM 214 CB PRO A 13 0.250 5.390 1.110 1.00 0.00 C ATOM 215 CG PRO A 13 1.350 6.397 1.265 1.00 0.00 C ATOM 216 CD PRO A 13 0.873 7.466 2.220 1.00 0.00 C ATOM 0 HA PRO A 13 -1.665 5.319 2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.652 4.381 1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.332 5.581 0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.252 5.920 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.605 6.834 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.616 7.669 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.687 8.406 1.701 1.00 0.00 H new ATOM 224 N SER A 14 -0.737 3.363 3.456 1.00 0.00 N ATOM 225 CA SER A 14 -0.358 2.362 4.498 1.00 0.00 C ATOM 226 C SER A 14 -0.701 0.939 4.042 1.00 0.00 C ATOM 227 O SER A 14 -1.359 0.198 4.745 1.00 0.00 O ATOM 228 CB SER A 14 -1.184 2.746 5.726 1.00 0.00 C ATOM 229 OG SER A 14 -0.641 2.109 6.876 1.00 0.00 O ATOM 0 H SER A 14 -1.440 3.048 2.788 1.00 0.00 H new ATOM 0 HA SER A 14 0.713 2.369 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.178 3.828 5.859 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.223 2.447 5.587 1.00 0.00 H new ATOM 0 HG SER A 14 -0.599 1.142 6.725 1.00 0.00 H new ATOM 235 N ALA A 15 -0.270 0.556 2.856 1.00 0.00 N ATOM 236 CA ALA A 15 -0.562 -0.817 2.311 1.00 0.00 C ATOM 237 C ALA A 15 -2.037 -0.936 1.929 1.00 0.00 C ATOM 238 O ALA A 15 -2.372 -0.948 0.760 1.00 0.00 O ATOM 239 CB ALA A 15 -0.186 -1.838 3.400 1.00 0.00 C ATOM 0 H ALA A 15 0.281 1.147 2.233 1.00 0.00 H new ATOM 0 HA ALA A 15 0.019 -1.005 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.385 -2.846 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.873 -1.741 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.779 -1.650 4.295 1.00 0.00 H new ATOM 245 N PHE A 16 -2.923 -1.037 2.895 1.00 0.00 N ATOM 246 CA PHE A 16 -4.390 -1.167 2.584 1.00 0.00 C ATOM 247 C PHE A 16 -4.833 -0.143 1.530 1.00 0.00 C ATOM 248 O PHE A 16 -5.404 -0.494 0.515 1.00 0.00 O ATOM 249 CB PHE A 16 -5.100 -0.889 3.907 1.00 0.00 C ATOM 250 CG PHE A 16 -6.549 -1.296 3.791 1.00 0.00 C ATOM 251 CD1 PHE A 16 -6.879 -2.619 3.474 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.562 -0.351 3.992 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.222 -2.997 3.360 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.904 -0.730 3.879 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.234 -2.053 3.563 1.00 0.00 C ATOM 0 H PHE A 16 -2.694 -1.035 3.889 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.623 -2.151 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.619 -1.441 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.027 0.169 4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.098 -3.348 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.308 0.670 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.477 -4.018 3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.686 -0.001 4.036 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.270 -2.345 3.476 1.00 0.00 H new ATOM 265 N PHE A 17 -4.563 1.118 1.763 1.00 0.00 N ATOM 266 CA PHE A 17 -4.956 2.171 0.773 1.00 0.00 C ATOM 267 C PHE A 17 -4.364 1.843 -0.603 1.00 0.00 C ATOM 268 O PHE A 17 -5.012 1.997 -1.620 1.00 0.00 O ATOM 269 CB PHE A 17 -4.364 3.475 1.313 1.00 0.00 C ATOM 270 CG PHE A 17 -4.890 4.639 0.508 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.188 5.113 0.727 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.078 5.243 -0.460 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.676 6.191 -0.020 1.00 0.00 C ATOM 274 CE2 PHE A 17 -4.566 6.322 -1.208 1.00 0.00 C ATOM 275 CZ PHE A 17 -5.864 6.796 -0.988 1.00 0.00 C ATOM 0 H PHE A 17 -4.087 1.465 2.596 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.037 2.239 0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.626 3.598 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.276 3.443 1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.814 4.646 1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.076 4.877 -0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.678 6.556 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.940 6.788 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.240 7.628 -1.565 1.00 0.00 H new ATOM 285 N LEU A 18 -3.137 1.387 -0.631 1.00 0.00 N ATOM 286 CA LEU A 18 -2.490 1.040 -1.935 1.00 0.00 C ATOM 287 C LEU A 18 -3.267 -0.090 -2.616 1.00 0.00 C ATOM 288 O LEU A 18 -3.480 -0.076 -3.813 1.00 0.00 O ATOM 289 CB LEU A 18 -1.068 0.566 -1.588 1.00 0.00 C ATOM 290 CG LEU A 18 -0.308 1.634 -0.782 1.00 0.00 C ATOM 291 CD1 LEU A 18 1.132 1.164 -0.563 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.287 2.962 -1.548 1.00 0.00 C ATOM 0 H LEU A 18 -2.554 1.240 0.193 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.474 1.891 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.120 -0.359 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.523 0.342 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.809 1.781 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.677 1.916 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.128 0.223 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.618 1.018 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.254 3.709 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.209 2.820 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.309 3.302 -1.715 1.00 0.00 H new ATOM 304 N PHE A 19 -3.690 -1.069 -1.855 1.00 0.00 N ATOM 305 CA PHE A 19 -4.456 -2.209 -2.446 1.00 0.00 C ATOM 306 C PHE A 19 -5.886 -1.775 -2.767 1.00 0.00 C ATOM 307 O PHE A 19 -6.354 -1.924 -3.880 1.00 0.00 O ATOM 308 CB PHE A 19 -4.455 -3.294 -1.366 1.00 0.00 C ATOM 309 CG PHE A 19 -5.103 -4.545 -1.907 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.341 -5.471 -2.631 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.465 -4.780 -1.685 1.00 0.00 C ATOM 312 CE1 PHE A 19 -4.941 -6.631 -3.132 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.066 -5.942 -2.188 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.303 -6.867 -2.911 1.00 0.00 C ATOM 0 H PHE A 19 -3.537 -1.128 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.014 -2.562 -3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.433 -3.508 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.993 -2.945 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.290 -5.289 -2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.052 -4.066 -1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.353 -7.345 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.117 -6.124 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.765 -7.763 -3.298 1.00 0.00 H new ATOM 324 N CYS A 20 -6.586 -1.237 -1.797 1.00 0.00 N ATOM 325 CA CYS A 20 -7.996 -0.787 -2.035 1.00 0.00 C ATOM 326 C CYS A 20 -8.052 0.201 -3.205 1.00 0.00 C ATOM 327 O CYS A 20 -8.767 -0.002 -4.168 1.00 0.00 O ATOM 328 CB CYS A 20 -8.422 -0.100 -0.736 1.00 0.00 C ATOM 329 SG CYS A 20 -9.096 -1.330 0.406 1.00 0.00 S ATOM 0 H CYS A 20 -6.242 -1.089 -0.848 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.652 -1.619 -2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.569 0.404 -0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.169 0.665 -0.945 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.820 -0.984 1.628 1.00 0.00 H new ATOM 335 N SER A 21 -7.298 1.270 -3.126 1.00 0.00 N ATOM 336 CA SER A 21 -7.296 2.285 -4.230 1.00 0.00 C ATOM 337 C SER A 21 -7.003 1.613 -5.578 1.00 0.00 C ATOM 338 O SER A 21 -7.452 2.064 -6.616 1.00 0.00 O ATOM 339 CB SER A 21 -6.180 3.265 -3.872 1.00 0.00 C ATOM 340 OG SER A 21 -4.921 2.632 -4.056 1.00 0.00 O ATOM 0 H SER A 21 -6.681 1.486 -2.343 1.00 0.00 H new ATOM 0 HA SER A 21 -8.261 2.782 -4.327 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.247 4.155 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.287 3.594 -2.838 1.00 0.00 H new ATOM 0 HG SER A 21 -4.517 2.448 -3.183 1.00 0.00 H new ATOM 346 N GLU A 22 -6.250 0.543 -5.564 1.00 0.00 N ATOM 347 CA GLU A 22 -5.917 -0.163 -6.836 1.00 0.00 C ATOM 348 C GLU A 22 -6.982 -1.215 -7.168 1.00 0.00 C ATOM 349 O GLU A 22 -7.256 -1.483 -8.323 1.00 0.00 O ATOM 350 CB GLU A 22 -4.571 -0.833 -6.572 1.00 0.00 C ATOM 351 CG GLU A 22 -3.437 0.149 -6.872 1.00 0.00 C ATOM 352 CD GLU A 22 -3.423 0.477 -8.366 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.121 -0.413 -9.145 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.714 1.611 -8.707 1.00 0.00 O ATOM 0 H GLU A 22 -5.850 0.127 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.879 0.521 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.515 -1.162 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.469 -1.722 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.569 1.061 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.481 -0.282 -6.575 1.00 0.00 H new ATOM 361 N TYR A 23 -7.574 -1.819 -6.167 1.00 0.00 N ATOM 362 CA TYR A 23 -8.613 -2.864 -6.425 1.00 0.00 C ATOM 363 C TYR A 23 -10.028 -2.269 -6.401 1.00 0.00 C ATOM 364 O TYR A 23 -11.002 -2.994 -6.352 1.00 0.00 O ATOM 365 CB TYR A 23 -8.440 -3.874 -5.290 1.00 0.00 C ATOM 366 CG TYR A 23 -7.432 -4.923 -5.699 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.069 -4.609 -5.728 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.863 -6.208 -6.051 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.134 -5.581 -6.108 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.928 -7.179 -6.431 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.564 -6.865 -6.460 1.00 0.00 C ATOM 372 OH TYR A 23 -4.644 -7.822 -6.835 1.00 0.00 O ATOM 0 H TYR A 23 -7.383 -1.634 -5.182 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.492 -3.315 -7.410 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.106 -3.367 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.396 -4.344 -5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.737 -3.617 -5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.915 -6.450 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.082 -5.339 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.259 -8.171 -6.702 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.109 -8.658 -7.046 1.00 0.00 H new ATOM 382 N ARG A 24 -10.154 -0.963 -6.443 1.00 0.00 N ATOM 383 CA ARG A 24 -11.504 -0.338 -6.434 1.00 0.00 C ATOM 384 C ARG A 24 -12.086 -0.177 -7.854 1.00 0.00 C ATOM 385 O ARG A 24 -13.255 -0.444 -8.034 1.00 0.00 O ATOM 386 CB ARG A 24 -11.324 1.025 -5.782 1.00 0.00 C ATOM 387 CG ARG A 24 -11.487 0.895 -4.266 1.00 0.00 C ATOM 388 CD ARG A 24 -10.872 2.116 -3.577 1.00 0.00 C ATOM 389 NE ARG A 24 -11.608 2.241 -2.289 1.00 0.00 N ATOM 390 CZ ARG A 24 -12.042 3.408 -1.896 1.00 0.00 C ATOM 391 NH1 ARG A 24 -11.208 4.401 -1.757 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.311 3.580 -1.643 1.00 0.00 N ATOM 0 H ARG A 24 -9.374 -0.306 -6.483 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.209 -0.969 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.338 1.425 -6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.057 1.728 -6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.543 0.814 -4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.002 -0.016 -3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.804 1.979 -3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.987 3.013 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.773 1.415 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.217 4.266 -1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.547 5.313 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.963 2.803 -1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.651 4.491 -1.336 1.00 0.00 H new ATOM 406 N PRO A 25 -11.289 0.258 -8.828 1.00 0.00 N ATOM 407 CA PRO A 25 -11.832 0.439 -10.205 1.00 0.00 C ATOM 408 C PRO A 25 -12.205 -0.914 -10.814 1.00 0.00 C ATOM 409 O PRO A 25 -12.967 -0.985 -11.760 1.00 0.00 O ATOM 410 CB PRO A 25 -10.701 1.122 -10.967 1.00 0.00 C ATOM 411 CG PRO A 25 -9.462 0.770 -10.220 1.00 0.00 C ATOM 412 CD PRO A 25 -9.852 0.595 -8.774 1.00 0.00 C ATOM 0 HA PRO A 25 -12.747 1.031 -10.232 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.653 0.772 -11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.846 2.202 -11.004 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.022 -0.146 -10.614 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.713 1.555 -10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.274 -0.197 -8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.677 1.505 -8.201 1.00 0.00 H new ATOM 420 N LYS A 26 -11.709 -1.991 -10.252 1.00 0.00 N ATOM 421 CA LYS A 26 -12.073 -3.341 -10.769 1.00 0.00 C ATOM 422 C LYS A 26 -13.518 -3.627 -10.371 1.00 0.00 C ATOM 423 O LYS A 26 -14.345 -3.992 -11.182 1.00 0.00 O ATOM 424 CB LYS A 26 -11.133 -4.308 -10.055 1.00 0.00 C ATOM 425 CG LYS A 26 -11.249 -5.698 -10.684 1.00 0.00 C ATOM 426 CD LYS A 26 -12.455 -6.430 -10.090 1.00 0.00 C ATOM 427 CE LYS A 26 -12.279 -7.938 -10.275 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.405 -8.363 -9.146 1.00 0.00 N ATOM 0 H LYS A 26 -11.068 -1.990 -9.458 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.986 -3.426 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.106 -3.951 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.382 -4.356 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.359 -5.611 -11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.338 -6.268 -10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.553 -6.192 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.372 -6.098 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.239 -8.454 -10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.821 -8.167 -11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.764 -9.117 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.846 -7.551 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.994 -8.719 -8.366 1.00 0.00 H new ATOM 442 N ILE A 27 -13.817 -3.449 -9.109 1.00 0.00 N ATOM 443 CA ILE A 27 -15.205 -3.690 -8.601 1.00 0.00 C ATOM 444 C ILE A 27 -16.218 -2.906 -9.435 1.00 0.00 C ATOM 445 O ILE A 27 -17.350 -3.309 -9.600 1.00 0.00 O ATOM 446 CB ILE A 27 -15.228 -3.124 -7.164 1.00 0.00 C ATOM 447 CG1 ILE A 27 -14.132 -3.745 -6.280 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.592 -3.399 -6.531 1.00 0.00 C ATOM 449 CD1 ILE A 27 -14.218 -5.269 -6.308 1.00 0.00 C ATOM 0 H ILE A 27 -13.151 -3.143 -8.399 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.459 -4.749 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.042 -2.052 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.151 -3.424 -6.629 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.238 -3.388 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.610 -3.000 -5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.371 -2.919 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.769 -4.474 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.435 -5.689 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.193 -5.585 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.088 -5.622 -7.331 1.00 0.00 H new ATOM 461 N LYS A 28 -15.815 -1.764 -9.913 1.00 0.00 N ATOM 462 CA LYS A 28 -16.756 -0.897 -10.689 1.00 0.00 C ATOM 463 C LYS A 28 -17.021 -1.505 -12.069 1.00 0.00 C ATOM 464 O LYS A 28 -18.123 -1.439 -12.582 1.00 0.00 O ATOM 465 CB LYS A 28 -16.101 0.504 -10.841 1.00 0.00 C ATOM 466 CG LYS A 28 -15.217 0.917 -9.643 1.00 0.00 C ATOM 467 CD LYS A 28 -15.876 0.627 -8.285 1.00 0.00 C ATOM 468 CE LYS A 28 -17.236 1.323 -8.203 1.00 0.00 C ATOM 469 NZ LYS A 28 -16.921 2.763 -7.993 1.00 0.00 N ATOM 0 H LYS A 28 -14.873 -1.389 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.709 -0.816 -10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.495 0.514 -11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.886 1.248 -10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.266 0.387 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.994 1.982 -9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.000 -0.448 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.232 0.974 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.811 1.174 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.833 0.926 -7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.600 3.172 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.958 2.856 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.985 3.268 -8.900 1.00 0.00 H new ATOM 483 N SER A 29 -16.021 -2.091 -12.676 1.00 0.00 N ATOM 484 CA SER A 29 -16.210 -2.700 -14.030 1.00 0.00 C ATOM 485 C SER A 29 -17.280 -3.797 -13.984 1.00 0.00 C ATOM 486 O SER A 29 -17.898 -4.111 -14.984 1.00 0.00 O ATOM 487 CB SER A 29 -14.852 -3.299 -14.397 1.00 0.00 C ATOM 488 OG SER A 29 -14.854 -3.663 -15.771 1.00 0.00 O ATOM 0 H SER A 29 -15.079 -2.175 -12.293 1.00 0.00 H new ATOM 0 HA SER A 29 -16.543 -1.963 -14.761 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.059 -2.577 -14.201 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.648 -4.173 -13.778 1.00 0.00 H new ATOM 0 HG SER A 29 -13.984 -4.046 -16.009 1.00 0.00 H new ATOM 494 N GLU A 30 -17.498 -4.384 -12.833 1.00 0.00 N ATOM 495 CA GLU A 30 -18.522 -5.468 -12.722 1.00 0.00 C ATOM 496 C GLU A 30 -19.662 -5.050 -11.785 1.00 0.00 C ATOM 497 O GLU A 30 -20.755 -5.581 -11.857 1.00 0.00 O ATOM 498 CB GLU A 30 -17.760 -6.663 -12.141 1.00 0.00 C ATOM 499 CG GLU A 30 -17.442 -7.664 -13.256 1.00 0.00 C ATOM 500 CD GLU A 30 -18.710 -8.431 -13.630 1.00 0.00 C ATOM 501 OE1 GLU A 30 -19.011 -9.404 -12.959 1.00 0.00 O ATOM 502 OE2 GLU A 30 -19.359 -8.034 -14.584 1.00 0.00 O ATOM 0 H GLU A 30 -17.011 -4.159 -11.966 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.983 -5.696 -13.683 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.838 -6.324 -11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.356 -7.145 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.050 -7.141 -14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.668 -8.358 -12.927 1.00 0.00 H new ATOM 509 N HIS A 31 -19.420 -4.104 -10.911 1.00 0.00 N ATOM 510 CA HIS A 31 -20.495 -3.656 -9.974 1.00 0.00 C ATOM 511 C HIS A 31 -20.747 -2.152 -10.157 1.00 0.00 C ATOM 512 O HIS A 31 -20.043 -1.340 -9.590 1.00 0.00 O ATOM 513 CB HIS A 31 -19.978 -3.937 -8.555 1.00 0.00 C ATOM 514 CG HIS A 31 -19.501 -5.363 -8.439 1.00 0.00 C ATOM 515 ND1 HIS A 31 -18.165 -5.705 -8.577 1.00 0.00 N ATOM 516 CD2 HIS A 31 -20.167 -6.539 -8.200 1.00 0.00 C ATOM 517 CE1 HIS A 31 -18.070 -7.036 -8.423 1.00 0.00 C ATOM 518 NE2 HIS A 31 -19.261 -7.595 -8.190 1.00 0.00 N ATOM 0 H HIS A 31 -18.526 -3.624 -10.806 1.00 0.00 H new ATOM 0 HA HIS A 31 -21.433 -4.178 -10.161 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.162 -3.254 -8.317 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.770 -3.752 -7.830 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -17.394 -5.063 -8.762 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -21.232 -6.631 -8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -17.143 -7.587 -8.481 1.00 0.00 H new ATOM 526 N PRO A 32 -21.743 -1.818 -10.950 1.00 0.00 N ATOM 527 CA PRO A 32 -22.061 -0.391 -11.192 1.00 0.00 C ATOM 528 C PRO A 32 -22.760 0.212 -9.974 1.00 0.00 C ATOM 529 O PRO A 32 -22.591 1.375 -9.662 1.00 0.00 O ATOM 530 CB PRO A 32 -22.995 -0.428 -12.397 1.00 0.00 C ATOM 531 CG PRO A 32 -23.613 -1.791 -12.382 1.00 0.00 C ATOM 532 CD PRO A 32 -22.655 -2.716 -11.679 1.00 0.00 C ATOM 0 HA PRO A 32 -21.177 0.222 -11.368 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.756 0.349 -12.327 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.447 -0.256 -13.324 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.573 -1.771 -11.867 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.803 -2.137 -13.398 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -23.179 -3.387 -10.999 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -22.113 -3.341 -12.389 1.00 0.00 H new ATOM 540 N GLY A 33 -23.540 -0.577 -9.286 1.00 0.00 N ATOM 541 CA GLY A 33 -24.255 -0.068 -8.082 1.00 0.00 C ATOM 542 C GLY A 33 -23.305 -0.026 -6.874 1.00 0.00 C ATOM 543 O GLY A 33 -23.630 0.544 -5.851 1.00 0.00 O ATOM 0 H GLY A 33 -23.713 -1.557 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.648 0.929 -8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.108 -0.709 -7.860 1.00 0.00 H new ATOM 547 N LEU A 34 -22.143 -0.633 -6.978 1.00 0.00 N ATOM 548 CA LEU A 34 -21.175 -0.634 -5.831 1.00 0.00 C ATOM 549 C LEU A 34 -20.730 0.797 -5.493 1.00 0.00 C ATOM 550 O LEU A 34 -19.675 1.240 -5.905 1.00 0.00 O ATOM 551 CB LEU A 34 -19.976 -1.475 -6.315 1.00 0.00 C ATOM 552 CG LEU A 34 -19.802 -2.729 -5.441 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.401 -2.314 -4.026 1.00 0.00 C ATOM 554 CD2 LEU A 34 -21.111 -3.534 -5.391 1.00 0.00 C ATOM 0 H LEU A 34 -21.823 -1.129 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.621 -1.043 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.127 -1.768 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.067 -0.874 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.022 -3.355 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.278 -3.203 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.461 -1.763 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.178 -1.679 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.971 -4.418 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.903 -2.915 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.388 -3.841 -6.400 1.00 0.00 H new ATOM 566 N SER A 35 -21.528 1.518 -4.745 1.00 0.00 N ATOM 567 CA SER A 35 -21.155 2.919 -4.371 1.00 0.00 C ATOM 568 C SER A 35 -20.067 2.894 -3.296 1.00 0.00 C ATOM 569 O SER A 35 -19.663 1.841 -2.845 1.00 0.00 O ATOM 570 CB SER A 35 -22.438 3.544 -3.824 1.00 0.00 C ATOM 571 OG SER A 35 -22.172 4.878 -3.410 1.00 0.00 O ATOM 0 H SER A 35 -22.423 1.197 -4.376 1.00 0.00 H new ATOM 0 HA SER A 35 -20.762 3.485 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.214 3.537 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.812 2.958 -2.984 1.00 0.00 H new ATOM 0 HG SER A 35 -22.994 5.282 -3.060 1.00 0.00 H new ATOM 577 N ILE A 36 -19.587 4.044 -2.877 1.00 0.00 N ATOM 578 CA ILE A 36 -18.515 4.082 -1.824 1.00 0.00 C ATOM 579 C ILE A 36 -18.921 3.236 -0.610 1.00 0.00 C ATOM 580 O ILE A 36 -18.099 2.577 -0.002 1.00 0.00 O ATOM 581 CB ILE A 36 -18.376 5.561 -1.429 1.00 0.00 C ATOM 582 CG1 ILE A 36 -17.850 6.373 -2.625 1.00 0.00 C ATOM 583 CG2 ILE A 36 -17.405 5.695 -0.245 1.00 0.00 C ATOM 584 CD1 ILE A 36 -16.477 5.848 -3.065 1.00 0.00 C ATOM 0 H ILE A 36 -19.890 4.957 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.574 3.673 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.353 5.945 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -18.554 6.308 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.774 7.426 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.310 6.745 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -17.787 5.130 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -16.428 5.305 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.118 6.433 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.772 5.936 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.564 4.802 -3.357 1.00 0.00 H new ATOM 596 N GLY A 37 -20.183 3.249 -0.258 1.00 0.00 N ATOM 597 CA GLY A 37 -20.647 2.445 0.912 1.00 0.00 C ATOM 598 C GLY A 37 -20.252 0.981 0.709 1.00 0.00 C ATOM 599 O GLY A 37 -19.389 0.466 1.388 1.00 0.00 O ATOM 0 H GLY A 37 -20.912 3.783 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.203 2.829 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.728 2.530 1.020 1.00 0.00 H new ATOM 603 N ASP A 38 -20.866 0.324 -0.237 1.00 0.00 N ATOM 604 CA ASP A 38 -20.527 -1.106 -0.504 1.00 0.00 C ATOM 605 C ASP A 38 -19.095 -1.234 -1.033 1.00 0.00 C ATOM 606 O ASP A 38 -18.444 -2.222 -0.796 1.00 0.00 O ATOM 607 CB ASP A 38 -21.532 -1.564 -1.564 1.00 0.00 C ATOM 608 CG ASP A 38 -22.894 -1.797 -0.910 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.563 -0.819 -0.617 1.00 0.00 O ATOM 610 OD2 ASP A 38 -23.245 -2.948 -0.712 1.00 0.00 O ATOM 0 H ASP A 38 -21.590 0.716 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.581 -1.711 0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -21.617 -0.812 -2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.183 -2.481 -2.039 1.00 0.00 H new ATOM 615 N THR A 39 -18.591 -0.238 -1.723 1.00 0.00 N ATOM 616 CA THR A 39 -17.188 -0.332 -2.247 1.00 0.00 C ATOM 617 C THR A 39 -16.188 -0.342 -1.088 1.00 0.00 C ATOM 618 O THR A 39 -15.120 -0.918 -1.190 1.00 0.00 O ATOM 619 CB THR A 39 -16.989 0.902 -3.136 1.00 0.00 C ATOM 620 OG1 THR A 39 -17.891 0.839 -4.231 1.00 0.00 O ATOM 621 CG2 THR A 39 -15.552 0.931 -3.671 1.00 0.00 C ATOM 0 H THR A 39 -19.083 0.627 -1.945 1.00 0.00 H new ATOM 0 HA THR A 39 -17.026 -1.251 -2.810 1.00 0.00 H new ATOM 0 HB THR A 39 -17.176 1.802 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.811 0.904 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.416 1.810 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 39 -14.853 0.973 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.364 0.031 -4.257 1.00 0.00 H new ATOM 629 N ALA A 40 -16.525 0.283 0.007 1.00 0.00 N ATOM 630 CA ALA A 40 -15.592 0.305 1.173 1.00 0.00 C ATOM 631 C ALA A 40 -15.565 -1.069 1.846 1.00 0.00 C ATOM 632 O ALA A 40 -14.516 -1.578 2.195 1.00 0.00 O ATOM 633 CB ALA A 40 -16.160 1.360 2.124 1.00 0.00 C ATOM 0 H ALA A 40 -17.405 0.779 0.146 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.569 0.538 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.525 1.433 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.192 2.326 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.168 1.074 2.424 1.00 0.00 H new ATOM 639 N LYS A 41 -16.715 -1.658 2.049 1.00 0.00 N ATOM 640 CA LYS A 41 -16.772 -2.992 2.724 1.00 0.00 C ATOM 641 C LYS A 41 -16.513 -4.151 1.745 1.00 0.00 C ATOM 642 O LYS A 41 -16.201 -5.250 2.167 1.00 0.00 O ATOM 643 CB LYS A 41 -18.180 -3.082 3.327 1.00 0.00 C ATOM 644 CG LYS A 41 -19.242 -3.099 2.223 1.00 0.00 C ATOM 645 CD LYS A 41 -20.588 -2.642 2.797 1.00 0.00 C ATOM 646 CE LYS A 41 -20.492 -1.182 3.268 1.00 0.00 C ATOM 647 NZ LYS A 41 -20.890 -1.210 4.704 1.00 0.00 N ATOM 0 H LYS A 41 -17.619 -1.273 1.776 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.994 -3.079 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.264 -3.984 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.352 -2.234 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.942 -2.443 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.334 -4.103 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.366 -2.738 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.873 -3.283 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.480 -0.794 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.152 -0.537 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.849 -0.247 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.860 -1.576 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.240 -1.826 5.232 1.00 0.00 H new ATOM 661 N LYS A 42 -16.628 -3.934 0.451 1.00 0.00 N ATOM 662 CA LYS A 42 -16.372 -5.050 -0.520 1.00 0.00 C ATOM 663 C LYS A 42 -14.866 -5.209 -0.785 1.00 0.00 C ATOM 664 O LYS A 42 -14.459 -6.032 -1.584 1.00 0.00 O ATOM 665 CB LYS A 42 -17.096 -4.639 -1.806 1.00 0.00 C ATOM 666 CG LYS A 42 -17.520 -5.872 -2.597 1.00 0.00 C ATOM 667 CD LYS A 42 -18.735 -6.513 -1.915 1.00 0.00 C ATOM 668 CE LYS A 42 -18.292 -7.748 -1.124 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.945 -8.903 -1.801 1.00 0.00 N ATOM 0 H LYS A 42 -16.885 -3.041 0.030 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.726 -6.006 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.972 -4.038 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.442 -4.016 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.767 -5.595 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.698 -6.586 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.211 -5.794 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.477 -6.795 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.207 -7.851 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.600 -7.678 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.686 -9.784 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.978 -8.783 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.628 -8.950 -2.790 1.00 0.00 H new ATOM 683 N LEU A 43 -14.037 -4.439 -0.117 1.00 0.00 N ATOM 684 CA LEU A 43 -12.565 -4.558 -0.326 1.00 0.00 C ATOM 685 C LEU A 43 -11.930 -5.263 0.876 1.00 0.00 C ATOM 686 O LEU A 43 -10.922 -5.933 0.754 1.00 0.00 O ATOM 687 CB LEU A 43 -12.061 -3.120 -0.430 1.00 0.00 C ATOM 688 CG LEU A 43 -12.362 -2.572 -1.826 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.188 -1.052 -1.827 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.395 -3.195 -2.836 1.00 0.00 C ATOM 0 H LEU A 43 -14.321 -3.734 0.563 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.314 -5.139 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.541 -2.500 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.989 -3.085 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.387 -2.820 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.403 -0.662 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.874 -0.607 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.163 -0.803 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.608 -2.806 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.370 -2.946 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.517 -4.278 -2.836 1.00 0.00 H new ATOM 702 N GLY A 44 -12.519 -5.112 2.037 1.00 0.00 N ATOM 703 CA GLY A 44 -11.960 -5.763 3.259 1.00 0.00 C ATOM 704 C GLY A 44 -12.136 -7.280 3.161 1.00 0.00 C ATOM 705 O GLY A 44 -11.281 -8.039 3.576 1.00 0.00 O ATOM 0 H GLY A 44 -13.366 -4.564 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.904 -5.516 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.465 -5.385 4.148 1.00 0.00 H new ATOM 709 N GLU A 45 -13.245 -7.728 2.621 1.00 0.00 N ATOM 710 CA GLU A 45 -13.496 -9.205 2.496 1.00 0.00 C ATOM 711 C GLU A 45 -12.295 -9.912 1.855 1.00 0.00 C ATOM 712 O GLU A 45 -11.958 -11.026 2.212 1.00 0.00 O ATOM 713 CB GLU A 45 -14.727 -9.326 1.595 1.00 0.00 C ATOM 714 CG GLU A 45 -15.232 -10.770 1.615 1.00 0.00 C ATOM 715 CD GLU A 45 -16.376 -10.924 0.611 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.132 -10.738 -0.570 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.478 -11.226 1.040 1.00 0.00 O ATOM 0 H GLU A 45 -13.991 -7.134 2.259 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.649 -9.671 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.510 -8.650 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.476 -9.031 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.421 -11.454 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.574 -11.033 2.616 1.00 0.00 H new ATOM 724 N MET A 46 -11.647 -9.269 0.919 1.00 0.00 N ATOM 725 CA MET A 46 -10.463 -9.892 0.257 1.00 0.00 C ATOM 726 C MET A 46 -9.195 -9.586 1.059 1.00 0.00 C ATOM 727 O MET A 46 -8.322 -10.421 1.203 1.00 0.00 O ATOM 728 CB MET A 46 -10.392 -9.240 -1.125 1.00 0.00 C ATOM 729 CG MET A 46 -11.481 -9.827 -2.024 1.00 0.00 C ATOM 730 SD MET A 46 -11.157 -9.364 -3.744 1.00 0.00 S ATOM 731 CE MET A 46 -11.879 -7.706 -3.674 1.00 0.00 C ATOM 0 H MET A 46 -11.888 -8.336 0.584 1.00 0.00 H new ATOM 0 HA MET A 46 -10.548 -10.977 0.191 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.521 -8.161 -1.037 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.410 -9.408 -1.568 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.503 -10.912 -1.926 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.460 -9.460 -1.715 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.803 -7.234 -4.654 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.928 -7.778 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.342 -7.106 -2.940 1.00 0.00 H new ATOM 741 N TRP A 47 -9.089 -8.386 1.574 1.00 0.00 N ATOM 742 CA TRP A 47 -7.876 -8.003 2.366 1.00 0.00 C ATOM 743 C TRP A 47 -7.647 -8.979 3.527 1.00 0.00 C ATOM 744 O TRP A 47 -6.522 -9.214 3.928 1.00 0.00 O ATOM 745 CB TRP A 47 -8.170 -6.598 2.901 1.00 0.00 C ATOM 746 CG TRP A 47 -6.966 -6.080 3.625 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.921 -5.791 4.946 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.640 -5.791 3.096 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.651 -5.341 5.262 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.825 -5.324 4.154 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.071 -5.889 1.814 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.493 -4.965 3.947 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.730 -5.529 1.602 1.00 0.00 C ATOM 754 CH2 TRP A 47 -2.942 -5.068 2.667 1.00 0.00 C ATOM 0 H TRP A 47 -9.791 -7.652 1.481 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.974 -8.030 1.755 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.429 -5.931 2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.028 -6.625 3.572 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.742 -5.895 5.640 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.360 -5.057 6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.669 -6.243 0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.892 -4.610 4.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.303 -5.608 0.613 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.911 -4.793 2.498 1.00 0.00 H new ATOM 765 N SER A 48 -8.696 -9.543 4.074 1.00 0.00 N ATOM 766 CA SER A 48 -8.528 -10.498 5.211 1.00 0.00 C ATOM 767 C SER A 48 -8.302 -11.916 4.682 1.00 0.00 C ATOM 768 O SER A 48 -7.593 -12.704 5.281 1.00 0.00 O ATOM 769 CB SER A 48 -9.840 -10.420 5.989 1.00 0.00 C ATOM 770 OG SER A 48 -9.778 -11.299 7.104 1.00 0.00 O ATOM 0 H SER A 48 -9.660 -9.383 3.782 1.00 0.00 H new ATOM 0 HA SER A 48 -7.668 -10.251 5.834 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.016 -9.398 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.675 -10.691 5.344 1.00 0.00 H new ATOM 0 HG SER A 48 -10.618 -11.250 7.606 1.00 0.00 H new ATOM 776 N GLU A 49 -8.898 -12.245 3.565 1.00 0.00 N ATOM 777 CA GLU A 49 -8.718 -13.614 2.990 1.00 0.00 C ATOM 778 C GLU A 49 -7.252 -13.831 2.610 1.00 0.00 C ATOM 779 O GLU A 49 -6.715 -14.912 2.764 1.00 0.00 O ATOM 780 CB GLU A 49 -9.605 -13.650 1.742 1.00 0.00 C ATOM 781 CG GLU A 49 -11.063 -13.853 2.159 1.00 0.00 C ATOM 782 CD GLU A 49 -11.276 -15.309 2.577 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.171 -16.173 1.723 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.542 -15.536 3.746 1.00 0.00 O ATOM 0 H GLU A 49 -9.502 -11.625 3.025 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.988 -14.397 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.502 -12.720 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.289 -14.457 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.312 -13.186 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.727 -13.600 1.333 1.00 0.00 H new ATOM 791 N GLN A 50 -6.604 -12.807 2.116 1.00 0.00 N ATOM 792 CA GLN A 50 -5.166 -12.940 1.722 1.00 0.00 C ATOM 793 C GLN A 50 -4.319 -13.348 2.930 1.00 0.00 C ATOM 794 O GLN A 50 -4.626 -13.010 4.058 1.00 0.00 O ATOM 795 CB GLN A 50 -4.755 -11.551 1.227 1.00 0.00 C ATOM 796 CG GLN A 50 -5.492 -11.234 -0.075 1.00 0.00 C ATOM 797 CD GLN A 50 -4.680 -11.753 -1.263 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.200 -12.868 -1.243 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.506 -10.986 -2.304 1.00 0.00 N ATOM 0 H GLN A 50 -7.008 -11.882 1.968 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.021 -13.704 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.989 -10.800 1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.678 -11.515 1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.480 -11.695 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.643 -10.158 -0.167 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.909 -10.049 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.967 -11.323 -3.101 1.00 0.00 H new ATOM 808 N SER A 51 -3.254 -14.069 2.695 1.00 0.00 N ATOM 809 CA SER A 51 -2.371 -14.502 3.817 1.00 0.00 C ATOM 810 C SER A 51 -1.243 -13.482 4.007 1.00 0.00 C ATOM 811 O SER A 51 -1.401 -12.314 3.699 1.00 0.00 O ATOM 812 CB SER A 51 -1.818 -15.859 3.378 1.00 0.00 C ATOM 813 OG SER A 51 -0.941 -15.673 2.275 1.00 0.00 O ATOM 0 H SER A 51 -2.957 -14.378 1.769 1.00 0.00 H new ATOM 0 HA SER A 51 -2.897 -14.573 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.287 -16.333 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.635 -16.525 3.100 1.00 0.00 H new ATOM 0 HG SER A 51 -0.583 -16.540 1.992 1.00 0.00 H new ATOM 819 N ALA A 52 -0.109 -13.907 4.506 1.00 0.00 N ATOM 820 CA ALA A 52 1.026 -12.957 4.709 1.00 0.00 C ATOM 821 C ALA A 52 1.813 -12.787 3.403 1.00 0.00 C ATOM 822 O ALA A 52 3.011 -12.998 3.358 1.00 0.00 O ATOM 823 CB ALA A 52 1.899 -13.605 5.785 1.00 0.00 C ATOM 0 H ALA A 52 0.079 -14.871 4.781 1.00 0.00 H new ATOM 0 HA ALA A 52 0.687 -11.964 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.757 -12.965 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.316 -13.735 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.247 -14.577 5.435 1.00 0.00 H new ATOM 829 N LYS A 53 1.145 -12.407 2.341 1.00 0.00 N ATOM 830 CA LYS A 53 1.844 -12.222 1.034 1.00 0.00 C ATOM 831 C LYS A 53 1.376 -10.929 0.361 1.00 0.00 C ATOM 832 O LYS A 53 2.169 -10.174 -0.170 1.00 0.00 O ATOM 833 CB LYS A 53 1.445 -13.437 0.198 1.00 0.00 C ATOM 834 CG LYS A 53 2.167 -14.680 0.722 1.00 0.00 C ATOM 835 CD LYS A 53 1.629 -15.923 0.011 1.00 0.00 C ATOM 836 CE LYS A 53 2.284 -16.049 -1.365 1.00 0.00 C ATOM 837 NZ LYS A 53 1.784 -17.341 -1.912 1.00 0.00 N ATOM 0 H LYS A 53 0.143 -12.217 2.325 1.00 0.00 H new ATOM 0 HA LYS A 53 2.925 -12.144 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.366 -13.584 0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.700 -13.270 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.240 -14.588 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.020 -14.772 1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.835 -16.813 0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.546 -15.854 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.010 -15.215 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.371 -16.048 -1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.190 -17.499 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.065 -18.118 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.747 -17.310 -1.982 1.00 0.00 H new ATOM 851 N ASP A 54 0.094 -10.673 0.374 1.00 0.00 N ATOM 852 CA ASP A 54 -0.434 -9.428 -0.267 1.00 0.00 C ATOM 853 C ASP A 54 0.130 -8.190 0.432 1.00 0.00 C ATOM 854 O ASP A 54 0.357 -7.170 -0.192 1.00 0.00 O ATOM 855 CB ASP A 54 -1.953 -9.496 -0.094 1.00 0.00 C ATOM 856 CG ASP A 54 -2.623 -8.535 -1.079 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.516 -8.770 -2.271 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.231 -7.581 -0.624 1.00 0.00 O ATOM 0 H ASP A 54 -0.613 -11.272 0.801 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.149 -9.358 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.304 -10.513 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.225 -9.234 0.928 1.00 0.00 H new ATOM 863 N LYS A 55 0.348 -8.265 1.723 1.00 0.00 N ATOM 864 CA LYS A 55 0.888 -7.085 2.459 1.00 0.00 C ATOM 865 C LYS A 55 2.406 -7.188 2.627 1.00 0.00 C ATOM 866 O LYS A 55 2.971 -6.582 3.514 1.00 0.00 O ATOM 867 CB LYS A 55 0.199 -7.115 3.826 1.00 0.00 C ATOM 868 CG LYS A 55 0.387 -5.768 4.541 1.00 0.00 C ATOM 869 CD LYS A 55 1.197 -5.966 5.826 1.00 0.00 C ATOM 870 CE LYS A 55 1.067 -4.723 6.708 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.252 -4.865 7.386 1.00 0.00 N ATOM 0 H LYS A 55 0.175 -9.091 2.295 1.00 0.00 H new ATOM 0 HA LYS A 55 0.698 -6.157 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.863 -7.325 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.614 -7.919 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.899 -5.066 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.584 -5.333 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.839 -6.845 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.245 -6.145 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.879 -4.667 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.108 -3.811 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.767 -3.963 7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.807 -5.607 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.104 -5.124 8.382 1.00 0.00 H new ATOM 885 N GLN A 56 3.074 -7.950 1.797 1.00 0.00 N ATOM 886 CA GLN A 56 4.559 -8.070 1.933 1.00 0.00 C ATOM 887 C GLN A 56 5.263 -7.024 1.046 1.00 0.00 C ATOM 888 O GLN A 56 6.024 -6.223 1.550 1.00 0.00 O ATOM 889 CB GLN A 56 4.905 -9.497 1.497 1.00 0.00 C ATOM 890 CG GLN A 56 5.160 -10.367 2.732 1.00 0.00 C ATOM 891 CD GLN A 56 6.542 -10.049 3.305 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.654 -9.432 4.346 1.00 0.00 O ATOM 893 NE2 GLN A 56 7.607 -10.447 2.664 1.00 0.00 N ATOM 0 H GLN A 56 2.660 -8.490 1.037 1.00 0.00 H new ATOM 0 HA GLN A 56 4.892 -7.884 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.089 -9.915 0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.788 -9.488 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.392 -10.184 3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.099 -11.422 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.513 -10.965 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.534 -10.240 3.037 1.00 0.00 H new ATOM 902 N PRO A 57 4.996 -7.045 -0.247 1.00 0.00 N ATOM 903 CA PRO A 57 5.633 -6.059 -1.155 1.00 0.00 C ATOM 904 C PRO A 57 4.864 -4.731 -1.141 1.00 0.00 C ATOM 905 O PRO A 57 5.411 -3.685 -1.434 1.00 0.00 O ATOM 906 CB PRO A 57 5.514 -6.706 -2.527 1.00 0.00 C ATOM 907 CG PRO A 57 4.322 -7.604 -2.434 1.00 0.00 C ATOM 908 CD PRO A 57 4.113 -7.964 -0.985 1.00 0.00 C ATOM 0 HA PRO A 57 6.660 -5.831 -0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.382 -5.955 -3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.413 -7.269 -2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.439 -7.105 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.477 -8.503 -3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.071 -7.836 -0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.373 -9.005 -0.793 1.00 0.00 H new ATOM 916 N TYR A 58 3.591 -4.775 -0.839 1.00 0.00 N ATOM 917 CA TYR A 58 2.762 -3.528 -0.844 1.00 0.00 C ATOM 918 C TYR A 58 2.895 -2.744 0.472 1.00 0.00 C ATOM 919 O TYR A 58 2.567 -1.573 0.528 1.00 0.00 O ATOM 920 CB TYR A 58 1.319 -4.021 -1.030 1.00 0.00 C ATOM 921 CG TYR A 58 0.858 -3.743 -2.442 1.00 0.00 C ATOM 922 CD1 TYR A 58 1.323 -4.534 -3.499 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.034 -2.693 -2.693 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.895 -4.277 -4.807 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.461 -2.436 -4.002 1.00 0.00 C ATOM 926 CZ TYR A 58 0.003 -3.228 -5.059 1.00 0.00 C ATOM 927 OH TYR A 58 -0.419 -2.975 -6.348 1.00 0.00 O ATOM 0 H TYR A 58 3.086 -5.625 -0.588 1.00 0.00 H new ATOM 0 HA TYR A 58 3.080 -2.843 -1.630 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.261 -5.090 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.661 -3.523 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.012 -5.343 -3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.392 -2.082 -1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.253 -4.888 -5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.149 -1.626 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.037 -2.214 -6.347 1.00 0.00 H new ATOM 937 N GLU A 59 3.357 -3.370 1.526 1.00 0.00 N ATOM 938 CA GLU A 59 3.485 -2.641 2.830 1.00 0.00 C ATOM 939 C GLU A 59 4.720 -1.726 2.829 1.00 0.00 C ATOM 940 O GLU A 59 4.763 -0.736 3.535 1.00 0.00 O ATOM 941 CB GLU A 59 3.596 -3.738 3.900 1.00 0.00 C ATOM 942 CG GLU A 59 4.923 -4.495 3.761 1.00 0.00 C ATOM 943 CD GLU A 59 6.001 -3.789 4.586 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.879 -3.779 5.799 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.930 -3.268 3.989 1.00 0.00 O ATOM 0 H GLU A 59 3.650 -4.347 1.543 1.00 0.00 H new ATOM 0 HA GLU A 59 2.632 -1.988 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.527 -3.294 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.762 -4.434 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.805 -5.524 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.221 -4.538 2.714 1.00 0.00 H new ATOM 952 N GLN A 60 5.717 -2.051 2.045 1.00 0.00 N ATOM 953 CA GLN A 60 6.946 -1.198 2.000 1.00 0.00 C ATOM 954 C GLN A 60 6.715 0.038 1.120 1.00 0.00 C ATOM 955 O GLN A 60 7.404 1.032 1.249 1.00 0.00 O ATOM 956 CB GLN A 60 8.048 -2.088 1.411 1.00 0.00 C ATOM 957 CG GLN A 60 7.639 -2.587 0.023 1.00 0.00 C ATOM 958 CD GLN A 60 8.888 -2.995 -0.761 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.356 -2.260 -1.607 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.450 -4.146 -0.514 1.00 0.00 N ATOM 0 H GLN A 60 5.734 -2.868 1.435 1.00 0.00 H new ATOM 0 HA GLN A 60 7.216 -0.830 2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.981 -1.528 1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.232 -2.936 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.961 -3.436 0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.100 -1.805 -0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.057 -4.763 0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.282 -4.429 -1.031 1.00 0.00 H new ATOM 969 N LYS A 61 5.750 -0.015 0.235 1.00 0.00 N ATOM 970 CA LYS A 61 5.472 1.162 -0.646 1.00 0.00 C ATOM 971 C LYS A 61 4.970 2.332 0.199 1.00 0.00 C ATOM 972 O LYS A 61 5.400 3.458 0.033 1.00 0.00 O ATOM 973 CB LYS A 61 4.391 0.688 -1.624 1.00 0.00 C ATOM 974 CG LYS A 61 4.015 1.826 -2.577 1.00 0.00 C ATOM 975 CD LYS A 61 3.187 1.268 -3.736 1.00 0.00 C ATOM 976 CE LYS A 61 3.022 2.345 -4.810 1.00 0.00 C ATOM 977 NZ LYS A 61 2.757 1.595 -6.069 1.00 0.00 N ATOM 0 H LYS A 61 5.143 -0.821 0.085 1.00 0.00 H new ATOM 0 HA LYS A 61 6.361 1.508 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.753 -0.169 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.510 0.357 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.447 2.588 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.915 2.308 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.677 0.391 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.210 0.945 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.199 3.018 -4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.920 2.957 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.632 2.266 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.560 0.967 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.893 1.027 -5.959 1.00 0.00 H new ATOM 991 N ALA A 62 4.075 2.069 1.115 1.00 0.00 N ATOM 992 CA ALA A 62 3.554 3.160 1.989 1.00 0.00 C ATOM 993 C ALA A 62 4.551 3.455 3.118 1.00 0.00 C ATOM 994 O ALA A 62 4.467 4.479 3.772 1.00 0.00 O ATOM 995 CB ALA A 62 2.244 2.623 2.563 1.00 0.00 C ATOM 0 H ALA A 62 3.682 1.145 1.295 1.00 0.00 H new ATOM 0 HA ALA A 62 3.406 4.090 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.800 3.372 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.555 2.399 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.441 1.714 3.132 1.00 0.00 H new ATOM 1001 N ALA A 63 5.498 2.572 3.348 1.00 0.00 N ATOM 1002 CA ALA A 63 6.502 2.810 4.428 1.00 0.00 C ATOM 1003 C ALA A 63 7.293 4.085 4.133 1.00 0.00 C ATOM 1004 O ALA A 63 7.686 4.800 5.035 1.00 0.00 O ATOM 1005 CB ALA A 63 7.424 1.588 4.404 1.00 0.00 C ATOM 0 H ALA A 63 5.615 1.699 2.833 1.00 0.00 H new ATOM 0 HA ALA A 63 6.034 2.940 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.189 1.694 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.840 0.688 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.901 1.511 3.427 1.00 0.00 H new ATOM 1011 N LYS A 64 7.518 4.380 2.875 1.00 0.00 N ATOM 1012 CA LYS A 64 8.275 5.620 2.523 1.00 0.00 C ATOM 1013 C LYS A 64 7.360 6.839 2.656 1.00 0.00 C ATOM 1014 O LYS A 64 7.588 7.710 3.473 1.00 0.00 O ATOM 1015 CB LYS A 64 8.707 5.429 1.067 1.00 0.00 C ATOM 1016 CG LYS A 64 9.678 4.250 0.973 1.00 0.00 C ATOM 1017 CD LYS A 64 11.052 4.675 1.491 1.00 0.00 C ATOM 1018 CE LYS A 64 12.042 3.520 1.323 1.00 0.00 C ATOM 1019 NZ LYS A 64 13.366 4.092 1.696 1.00 0.00 N ATOM 0 H LYS A 64 7.211 3.818 2.081 1.00 0.00 H new ATOM 0 HA LYS A 64 9.131 5.784 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.835 5.247 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.183 6.337 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.302 3.409 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.756 3.912 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.403 5.551 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.984 4.960 2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.780 2.679 1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.046 3.149 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.099 3.359 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.592 4.886 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.334 4.430 2.679 1.00 0.00 H new ATOM 1033 N LEU A 65 6.325 6.907 1.853 1.00 0.00 N ATOM 1034 CA LEU A 65 5.379 8.071 1.914 1.00 0.00 C ATOM 1035 C LEU A 65 4.919 8.335 3.355 1.00 0.00 C ATOM 1036 O LEU A 65 4.567 9.447 3.704 1.00 0.00 O ATOM 1037 CB LEU A 65 4.189 7.663 1.043 1.00 0.00 C ATOM 1038 CG LEU A 65 4.475 8.025 -0.415 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.295 6.910 -1.066 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.153 8.190 -1.167 1.00 0.00 C ATOM 0 H LEU A 65 6.092 6.203 1.153 1.00 0.00 H new ATOM 0 HA LEU A 65 5.851 8.990 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.009 6.592 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.285 8.168 1.384 1.00 0.00 H new ATOM 0 HG LEU A 65 5.036 8.959 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.499 7.168 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.237 6.791 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.734 5.976 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.355 8.448 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.593 7.256 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.567 8.984 -0.704 1.00 0.00 H new ATOM 1052 N LYS A 66 4.934 7.327 4.192 1.00 0.00 N ATOM 1053 CA LYS A 66 4.512 7.527 5.612 1.00 0.00 C ATOM 1054 C LYS A 66 5.523 8.428 6.319 1.00 0.00 C ATOM 1055 O LYS A 66 5.163 9.405 6.949 1.00 0.00 O ATOM 1056 CB LYS A 66 4.507 6.131 6.238 1.00 0.00 C ATOM 1057 CG LYS A 66 4.032 6.222 7.690 1.00 0.00 C ATOM 1058 CD LYS A 66 2.511 6.377 7.720 1.00 0.00 C ATOM 1059 CE LYS A 66 1.855 5.015 7.483 1.00 0.00 C ATOM 1060 NZ LYS A 66 0.393 5.262 7.620 1.00 0.00 N ATOM 0 H LYS A 66 5.219 6.377 3.954 1.00 0.00 H new ATOM 0 HA LYS A 66 3.534 8.001 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.852 5.469 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.507 5.700 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.328 5.327 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.505 7.070 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.195 6.783 8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.192 7.085 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.099 4.626 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.201 4.279 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.109 4.353 7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.213 5.809 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.053 5.797 6.796 1.00 0.00 H new ATOM 1074 N GLU A 67 6.788 8.112 6.204 1.00 0.00 N ATOM 1075 CA GLU A 67 7.837 8.954 6.854 1.00 0.00 C ATOM 1076 C GLU A 67 7.794 10.364 6.262 1.00 0.00 C ATOM 1077 O GLU A 67 7.759 11.345 6.978 1.00 0.00 O ATOM 1078 CB GLU A 67 9.168 8.273 6.526 1.00 0.00 C ATOM 1079 CG GLU A 67 9.403 7.116 7.498 1.00 0.00 C ATOM 1080 CD GLU A 67 10.863 6.665 7.414 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.732 7.518 7.498 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.087 5.475 7.266 1.00 0.00 O ATOM 0 H GLU A 67 7.140 7.306 5.687 1.00 0.00 H new ATOM 0 HA GLU A 67 7.692 9.044 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.157 7.904 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.984 8.992 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.166 7.428 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.740 6.285 7.257 1.00 0.00 H new ATOM 1089 N LYS A 68 7.784 10.464 4.955 1.00 0.00 N ATOM 1090 CA LYS A 68 7.730 11.808 4.302 1.00 0.00 C ATOM 1091 C LYS A 68 6.453 12.544 4.719 1.00 0.00 C ATOM 1092 O LYS A 68 6.413 13.757 4.756 1.00 0.00 O ATOM 1093 CB LYS A 68 7.722 11.528 2.797 1.00 0.00 C ATOM 1094 CG LYS A 68 9.149 11.236 2.326 1.00 0.00 C ATOM 1095 CD LYS A 68 9.108 10.582 0.943 1.00 0.00 C ATOM 1096 CE LYS A 68 10.488 10.684 0.290 1.00 0.00 C ATOM 1097 NZ LYS A 68 11.324 9.677 1.001 1.00 0.00 N ATOM 0 H LYS A 68 7.811 9.672 4.313 1.00 0.00 H new ATOM 0 HA LYS A 68 8.572 12.438 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.074 10.679 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.318 12.385 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.726 12.160 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.650 10.578 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.812 9.537 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.361 11.073 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.436 10.472 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.902 11.687 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.164 10.142 1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.770 9.246 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.622 8.938 0.332 1.00 0.00 H new ATOM 1111 N TYR A 69 5.415 11.817 5.050 1.00 0.00 N ATOM 1112 CA TYR A 69 4.143 12.471 5.488 1.00 0.00 C ATOM 1113 C TYR A 69 4.322 13.016 6.905 1.00 0.00 C ATOM 1114 O TYR A 69 4.279 14.209 7.134 1.00 0.00 O ATOM 1115 CB TYR A 69 3.088 11.353 5.458 1.00 0.00 C ATOM 1116 CG TYR A 69 1.737 11.891 5.881 1.00 0.00 C ATOM 1117 CD1 TYR A 69 1.467 12.140 7.234 1.00 0.00 C ATOM 1118 CD2 TYR A 69 0.748 12.135 4.919 1.00 0.00 C ATOM 1119 CE1 TYR A 69 0.215 12.632 7.622 1.00 0.00 C ATOM 1120 CE2 TYR A 69 -0.504 12.627 5.308 1.00 0.00 C ATOM 1121 CZ TYR A 69 -0.770 12.875 6.660 1.00 0.00 C ATOM 1122 OH TYR A 69 -2.004 13.359 7.043 1.00 0.00 O ATOM 0 H TYR A 69 5.393 10.797 5.036 1.00 0.00 H new ATOM 0 HA TYR A 69 3.852 13.307 4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.022 10.934 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.388 10.543 6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.226 11.952 7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.952 11.943 3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.010 12.824 8.665 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.265 12.815 4.565 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.571 13.473 6.252 1.00 0.00 H new ATOM 1132 N GLU A 70 4.516 12.139 7.855 1.00 0.00 N ATOM 1133 CA GLU A 70 4.690 12.580 9.274 1.00 0.00 C ATOM 1134 C GLU A 70 5.877 13.544 9.412 1.00 0.00 C ATOM 1135 O GLU A 70 5.930 14.341 10.330 1.00 0.00 O ATOM 1136 CB GLU A 70 4.956 11.295 10.062 1.00 0.00 C ATOM 1137 CG GLU A 70 3.652 10.511 10.214 1.00 0.00 C ATOM 1138 CD GLU A 70 3.900 9.267 11.069 1.00 0.00 C ATOM 1139 OE1 GLU A 70 4.309 9.427 12.207 1.00 0.00 O ATOM 1140 OE2 GLU A 70 3.676 8.175 10.572 1.00 0.00 O ATOM 0 H GLU A 70 4.562 11.130 7.710 1.00 0.00 H new ATOM 0 HA GLU A 70 3.813 13.115 9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.700 10.687 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.365 11.536 11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.891 11.138 10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.273 10.222 9.234 1.00 0.00 H new ATOM 1147 N LYS A 71 6.836 13.464 8.522 1.00 0.00 N ATOM 1148 CA LYS A 71 8.029 14.365 8.617 1.00 0.00 C ATOM 1149 C LYS A 71 7.836 15.657 7.811 1.00 0.00 C ATOM 1150 O LYS A 71 8.583 16.604 7.974 1.00 0.00 O ATOM 1151 CB LYS A 71 9.188 13.550 8.042 1.00 0.00 C ATOM 1152 CG LYS A 71 9.433 12.320 8.919 1.00 0.00 C ATOM 1153 CD LYS A 71 10.156 12.742 10.200 1.00 0.00 C ATOM 1154 CE LYS A 71 11.664 12.804 9.939 1.00 0.00 C ATOM 1155 NZ LYS A 71 12.292 12.666 11.284 1.00 0.00 N ATOM 0 H LYS A 71 6.845 12.815 7.735 1.00 0.00 H new ATOM 0 HA LYS A 71 8.204 14.677 9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.959 13.242 7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.089 14.162 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.485 11.841 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.030 11.587 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.793 13.715 10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.944 12.033 11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.982 12.004 9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.945 13.745 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.327 12.699 11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.976 13.445 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.012 11.758 11.706 1.00 0.00 H new ATOM 1169 N ASP A 72 6.854 15.711 6.942 1.00 0.00 N ATOM 1170 CA ASP A 72 6.642 16.952 6.133 1.00 0.00 C ATOM 1171 C ASP A 72 5.341 17.653 6.538 1.00 0.00 C ATOM 1172 O ASP A 72 5.229 18.860 6.444 1.00 0.00 O ATOM 1173 CB ASP A 72 6.563 16.479 4.683 1.00 0.00 C ATOM 1174 CG ASP A 72 6.702 17.679 3.743 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.772 18.264 3.717 1.00 0.00 O ATOM 1176 OD2 ASP A 72 5.736 17.992 3.068 1.00 0.00 O ATOM 0 H ASP A 72 6.195 14.954 6.759 1.00 0.00 H new ATOM 0 HA ASP A 72 7.445 17.673 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.352 15.754 4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.614 15.974 4.506 1.00 0.00 H new ATOM 1181 N ILE A 73 4.361 16.907 6.982 1.00 0.00 N ATOM 1182 CA ILE A 73 3.067 17.537 7.387 1.00 0.00 C ATOM 1183 C ILE A 73 3.271 18.406 8.636 1.00 0.00 C ATOM 1184 O ILE A 73 2.666 19.452 8.780 1.00 0.00 O ATOM 1185 CB ILE A 73 2.111 16.364 7.660 1.00 0.00 C ATOM 1186 CG1 ILE A 73 0.704 16.908 7.909 1.00 0.00 C ATOM 1187 CG2 ILE A 73 2.575 15.563 8.883 1.00 0.00 C ATOM 1188 CD1 ILE A 73 -0.047 17.001 6.579 1.00 0.00 C ATOM 0 H ILE A 73 4.400 15.893 7.081 1.00 0.00 H new ATOM 0 HA ILE A 73 2.665 18.197 6.618 1.00 0.00 H new ATOM 0 HB ILE A 73 2.107 15.703 6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.167 16.256 8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.760 17.891 8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.886 14.737 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.575 15.169 8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.595 16.213 9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.051 17.389 6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.488 17.670 5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.114 16.010 6.129 1.00 0.00 H new ATOM 1200 N ALA A 74 4.124 17.978 9.535 1.00 0.00 N ATOM 1201 CA ALA A 74 4.379 18.774 10.778 1.00 0.00 C ATOM 1202 C ALA A 74 4.892 20.169 10.411 1.00 0.00 C ATOM 1203 O ALA A 74 4.388 21.170 10.886 1.00 0.00 O ATOM 1204 CB ALA A 74 5.450 17.995 11.544 1.00 0.00 C ATOM 0 H ALA A 74 4.656 17.111 9.462 1.00 0.00 H new ATOM 0 HA ALA A 74 3.475 18.909 11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.689 18.519 12.469 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.077 16.998 11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.348 17.912 10.931 1.00 0.00 H new ATOM 1210 N ALA A 75 5.884 20.237 9.561 1.00 0.00 N ATOM 1211 CA ALA A 75 6.432 21.564 9.144 1.00 0.00 C ATOM 1212 C ALA A 75 5.481 22.247 8.152 1.00 0.00 C ATOM 1213 O ALA A 75 5.556 23.443 7.938 1.00 0.00 O ATOM 1214 CB ALA A 75 7.771 21.250 8.474 1.00 0.00 C ATOM 0 H ALA A 75 6.340 19.429 9.136 1.00 0.00 H new ATOM 0 HA ALA A 75 6.548 22.243 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.237 22.177 8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.427 20.752 9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.605 20.597 7.617 1.00 0.00 H new ATOM 1220 N TYR A 76 4.586 21.499 7.549 1.00 0.00 N ATOM 1221 CA TYR A 76 3.628 22.105 6.575 1.00 0.00 C ATOM 1222 C TYR A 76 2.512 22.839 7.324 1.00 0.00 C ATOM 1223 O TYR A 76 2.022 23.860 6.881 1.00 0.00 O ATOM 1224 CB TYR A 76 3.060 20.923 5.787 1.00 0.00 C ATOM 1225 CG TYR A 76 2.175 21.435 4.677 1.00 0.00 C ATOM 1226 CD1 TYR A 76 2.727 21.749 3.430 1.00 0.00 C ATOM 1227 CD2 TYR A 76 0.801 21.595 4.894 1.00 0.00 C ATOM 1228 CE1 TYR A 76 1.907 22.223 2.399 1.00 0.00 C ATOM 1229 CE2 TYR A 76 -0.020 22.070 3.864 1.00 0.00 C ATOM 1230 CZ TYR A 76 0.533 22.384 2.617 1.00 0.00 C ATOM 1231 OH TYR A 76 -0.276 22.851 1.601 1.00 0.00 O ATOM 0 H TYR A 76 4.480 20.495 7.691 1.00 0.00 H new ATOM 0 HA TYR A 76 4.107 22.834 5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.872 20.325 5.373 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.490 20.271 6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.787 21.626 3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.374 21.352 5.856 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.334 22.464 1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.080 22.194 4.032 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.202 22.903 1.918 1.00 0.00 H new ATOM 1241 N ARG A 77 2.111 22.320 8.458 1.00 0.00 N ATOM 1242 CA ARG A 77 1.025 22.979 9.247 1.00 0.00 C ATOM 1243 C ARG A 77 1.589 24.094 10.144 1.00 0.00 C ATOM 1244 O ARG A 77 0.875 24.661 10.949 1.00 0.00 O ATOM 1245 CB ARG A 77 0.430 21.860 10.101 1.00 0.00 C ATOM 1246 CG ARG A 77 -0.323 20.876 9.204 1.00 0.00 C ATOM 1247 CD ARG A 77 -0.554 19.567 9.963 1.00 0.00 C ATOM 1248 NE ARG A 77 -1.624 18.866 9.201 1.00 0.00 N ATOM 1249 CZ ARG A 77 -2.533 18.178 9.837 1.00 0.00 C ATOM 1250 NH1 ARG A 77 -2.201 17.086 10.470 1.00 0.00 N ATOM 1251 NH2 ARG A 77 -3.773 18.584 9.841 1.00 0.00 N ATOM 0 H ARG A 77 2.489 21.468 8.872 1.00 0.00 H new ATOM 0 HA ARG A 77 0.285 23.450 8.601 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.221 21.342 10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.246 22.278 10.847 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.277 21.304 8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.248 20.686 8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.357 18.969 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.861 19.756 10.992 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.647 18.923 8.183 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.231 16.770 10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.911 16.549 10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.031 19.438 9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.484 18.047 10.338 1.00 0.00 H new ATOM 1265 N ALA A 78 2.859 24.418 10.015 1.00 0.00 N ATOM 1266 CA ALA A 78 3.464 25.502 10.862 1.00 0.00 C ATOM 1267 C ALA A 78 3.163 25.270 12.349 1.00 0.00 C ATOM 1268 O ALA A 78 2.180 25.759 12.874 1.00 0.00 O ATOM 1269 CB ALA A 78 2.811 26.800 10.379 1.00 0.00 C ATOM 0 H ALA A 78 3.503 23.977 9.358 1.00 0.00 H new ATOM 0 HA ALA A 78 4.550 25.528 10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.203 27.640 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.032 26.947 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.732 26.738 10.519 1.00 0.00 H new ATOM 1275 N LYS A 79 4.005 24.531 13.025 1.00 0.00 N ATOM 1276 CA LYS A 79 3.776 24.265 14.478 1.00 0.00 C ATOM 1277 C LYS A 79 5.020 24.643 15.287 1.00 0.00 C ATOM 1278 O LYS A 79 4.895 25.468 16.175 1.00 0.00 O ATOM 1279 CB LYS A 79 3.513 22.761 14.571 1.00 0.00 C ATOM 1280 CG LYS A 79 2.509 22.485 15.693 1.00 0.00 C ATOM 1281 CD LYS A 79 1.105 22.342 15.103 1.00 0.00 C ATOM 1282 CE LYS A 79 0.454 23.722 14.988 1.00 0.00 C ATOM 1283 NZ LYS A 79 -1.002 23.479 15.186 1.00 0.00 N ATOM 1284 OXT LYS A 79 6.075 24.101 15.002 1.00 0.00 O ATOM 0 H LYS A 79 4.842 24.100 12.633 1.00 0.00 H new ATOM 0 HA LYS A 79 2.947 24.848 14.878 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.125 22.390 13.622 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.445 22.230 14.764 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.785 21.575 16.226 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.528 23.297 16.419 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.158 21.871 14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.498 21.694 15.735 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.846 24.407 15.740 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.650 24.171 14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.516 24.381 15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.348 22.829 14.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.159 23.058 16.124 1.00 0.00 H new TER 1298 LYS A 79