USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 3 TYR OH : rot -35:sc= 0.848 USER MOD Single : A 4 THR OG1 : rot -130:sc= -3.32! USER MOD Single : A 7 THR OG1 : rot -104:sc= 1.3 USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= -0.0181 (180deg=-0.307) USER MOD Single : A 12 THR OG1 : rot 20:sc= -1.33 USER MOD Single : A 15 SER OG : rot 107:sc= 0.0469 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -5.33! C(o=-5.3!,f=-9.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -158:sc= -0.862 (180deg=-2.11!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 36 SER OG : rot 180:sc= -0.443 USER MOD Single : A 38 ASN : amide:sc= -0.487 K(o=-0.49,f=-3.4!) USER MOD Single : A 50 HIS : no HD1:sc= -0.922 K(o=-0.92,f=-0.3) USER MOD Single : A 53 THR OG1 : rot -72:sc= -0.442 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -15.289 -15.778 -9.611 1.00 0.00 N ATOM 38 CA TYR A 3 -14.953 -14.661 -8.731 1.00 0.00 C ATOM 39 C TYR A 3 -15.413 -14.963 -7.316 1.00 0.00 C ATOM 40 O TYR A 3 -16.538 -15.418 -7.109 1.00 0.00 O ATOM 41 CB TYR A 3 -15.640 -13.388 -9.220 1.00 0.00 C ATOM 42 CG TYR A 3 -15.165 -13.072 -10.618 1.00 0.00 C ATOM 43 CD1 TYR A 3 -13.852 -12.639 -10.830 1.00 0.00 C ATOM 44 CD2 TYR A 3 -16.038 -13.218 -11.704 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.413 -12.354 -12.124 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.597 -12.932 -13.000 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.283 -12.500 -13.210 1.00 0.00 C ATOM 48 OH TYR A 3 -13.845 -12.219 -14.488 1.00 0.00 O ATOM 0 HA TYR A 3 -13.872 -14.518 -8.741 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.722 -13.519 -9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.414 -12.558 -8.550 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.179 -12.525 -9.993 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -17.052 -13.552 -11.540 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.399 -12.020 -12.287 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -16.270 -13.044 -13.837 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.215 -11.469 -14.460 1.00 0.00 H new ATOM 58 N THR A 4 -14.540 -14.720 -6.342 1.00 0.00 N ATOM 59 CA THR A 4 -14.869 -14.985 -4.942 1.00 0.00 C ATOM 60 C THR A 4 -14.495 -13.783 -4.066 1.00 0.00 C ATOM 61 O THR A 4 -13.542 -13.065 -4.369 1.00 0.00 O ATOM 62 CB THR A 4 -14.103 -16.225 -4.482 1.00 0.00 C ATOM 63 OG1 THR A 4 -12.753 -16.117 -4.908 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.732 -17.476 -5.102 1.00 0.00 C ATOM 0 H THR A 4 -13.605 -14.342 -6.493 1.00 0.00 H new ATOM 0 HA THR A 4 -15.942 -15.155 -4.848 1.00 0.00 H new ATOM 0 HB THR A 4 -14.145 -16.301 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.486 -16.944 -5.360 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.185 -18.359 -4.773 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.772 -17.555 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.687 -17.405 -6.189 1.00 0.00 H new ATOM 72 N PRO A 5 -15.229 -13.541 -3.005 1.00 0.00 N ATOM 73 CA PRO A 5 -14.962 -12.388 -2.093 1.00 0.00 C ATOM 74 C PRO A 5 -13.635 -12.526 -1.351 1.00 0.00 C ATOM 75 O PRO A 5 -12.994 -11.528 -1.031 1.00 0.00 O ATOM 76 CB PRO A 5 -16.153 -12.408 -1.118 1.00 0.00 C ATOM 77 CG PRO A 5 -16.632 -13.823 -1.131 1.00 0.00 C ATOM 78 CD PRO A 5 -16.380 -14.337 -2.546 1.00 0.00 C ATOM 0 HA PRO A 5 -14.873 -11.449 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.850 -12.102 -0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.937 -11.722 -1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.096 -14.424 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.691 -13.879 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.157 -15.404 -2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.250 -14.190 -3.186 1.00 0.00 H new ATOM 86 N ASP A 6 -13.232 -13.766 -1.067 1.00 0.00 N ATOM 87 CA ASP A 6 -11.978 -14.010 -0.346 1.00 0.00 C ATOM 88 C ASP A 6 -11.188 -15.152 -0.978 1.00 0.00 C ATOM 89 O ASP A 6 -11.394 -16.319 -0.645 1.00 0.00 O ATOM 90 CB ASP A 6 -12.288 -14.359 1.111 1.00 0.00 C ATOM 91 CG ASP A 6 -10.999 -14.410 1.924 1.00 0.00 C ATOM 92 OD1 ASP A 6 -9.986 -13.951 1.421 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.042 -14.911 3.036 1.00 0.00 O ATOM 0 H ASP A 6 -13.748 -14.609 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.374 -13.104 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.965 -13.617 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.797 -15.321 1.162 1.00 0.00 H new ATOM 98 N THR A 7 -10.266 -14.805 -1.872 1.00 0.00 N ATOM 99 CA THR A 7 -9.423 -15.802 -2.532 1.00 0.00 C ATOM 100 C THR A 7 -8.008 -15.272 -2.698 1.00 0.00 C ATOM 101 O THR A 7 -7.803 -14.072 -2.869 1.00 0.00 O ATOM 102 CB THR A 7 -10.000 -16.160 -3.904 1.00 0.00 C ATOM 103 OG1 THR A 7 -9.016 -16.840 -4.669 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.435 -14.886 -4.629 1.00 0.00 C ATOM 0 H THR A 7 -10.083 -13.843 -2.157 1.00 0.00 H new ATOM 0 HA THR A 7 -9.398 -16.696 -1.909 1.00 0.00 H new ATOM 0 HB THR A 7 -10.866 -16.809 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.648 -16.232 -5.344 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.845 -15.145 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.196 -14.374 -4.040 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.575 -14.230 -4.759 1.00 0.00 H new ATOM 112 N ALA A 8 -7.033 -16.175 -2.669 1.00 0.00 N ATOM 113 CA ALA A 8 -5.631 -15.787 -2.841 1.00 0.00 C ATOM 114 C ALA A 8 -5.184 -16.133 -4.253 1.00 0.00 C ATOM 115 O ALA A 8 -4.913 -17.292 -4.563 1.00 0.00 O ATOM 116 CB ALA A 8 -4.754 -16.529 -1.830 1.00 0.00 C ATOM 0 H ALA A 8 -7.183 -17.174 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.532 -14.714 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.713 -16.234 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.073 -16.278 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.850 -17.604 -1.985 1.00 0.00 H new ATOM 122 N TRP A 9 -5.122 -15.118 -5.114 1.00 0.00 N ATOM 123 CA TRP A 9 -4.722 -15.325 -6.507 1.00 0.00 C ATOM 124 C TRP A 9 -3.246 -14.997 -6.676 1.00 0.00 C ATOM 125 O TRP A 9 -2.737 -14.059 -6.063 1.00 0.00 O ATOM 126 CB TRP A 9 -5.559 -14.432 -7.438 1.00 0.00 C ATOM 127 CG TRP A 9 -6.933 -15.010 -7.620 1.00 0.00 C ATOM 128 CD1 TRP A 9 -7.533 -15.877 -6.775 1.00 0.00 C ATOM 129 CD2 TRP A 9 -7.883 -14.778 -8.703 1.00 0.00 C ATOM 130 NE1 TRP A 9 -8.789 -16.183 -7.259 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.052 -15.532 -8.444 1.00 0.00 C ATOM 132 CE3 TRP A 9 -7.848 -13.994 -9.868 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.145 -15.510 -9.308 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -8.944 -13.967 -10.745 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.093 -14.723 -10.464 1.00 0.00 C ATOM 0 H TRP A 9 -5.342 -14.151 -4.875 1.00 0.00 H new ATOM 0 HA TRP A 9 -4.892 -16.369 -6.769 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.632 -13.428 -7.020 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.065 -14.340 -8.405 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.099 -16.268 -5.866 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.443 -16.814 -6.796 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.970 -13.406 -10.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.025 -16.096 -9.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -8.903 -13.362 -11.639 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -10.936 -14.697 -11.139 1.00 0.00 H new ATOM 146 N LYS A 10 -2.562 -15.772 -7.513 1.00 0.00 N ATOM 147 CA LYS A 10 -1.138 -15.556 -7.764 1.00 0.00 C ATOM 148 C LYS A 10 -0.952 -14.820 -9.081 1.00 0.00 C ATOM 149 O LYS A 10 -1.421 -15.275 -10.123 1.00 0.00 O ATOM 150 CB LYS A 10 -0.412 -16.897 -7.824 1.00 0.00 C ATOM 151 CG LYS A 10 1.099 -16.666 -7.789 1.00 0.00 C ATOM 152 CD LYS A 10 1.814 -18.015 -7.696 1.00 0.00 C ATOM 153 CE LYS A 10 3.320 -17.784 -7.585 1.00 0.00 C ATOM 154 NZ LYS A 10 3.828 -17.215 -8.864 1.00 0.00 N ATOM 0 H LYS A 10 -2.968 -16.553 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.723 -14.957 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.714 -17.523 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.687 -17.430 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.418 -16.133 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.363 -16.042 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.455 -18.570 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.591 -18.619 -8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.535 -17.104 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.828 -18.723 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.863 -17.308 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.408 -17.730 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.568 -16.210 -8.924 1.00 0.00 H new ATOM 168 N ILE A 11 -0.274 -13.682 -9.025 1.00 0.00 N ATOM 169 CA ILE A 11 -0.042 -12.882 -10.219 1.00 0.00 C ATOM 170 C ILE A 11 1.110 -13.473 -11.024 1.00 0.00 C ATOM 171 O ILE A 11 2.231 -13.583 -10.529 1.00 0.00 O ATOM 172 CB ILE A 11 0.297 -11.442 -9.817 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.740 -10.929 -8.816 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.266 -10.545 -11.053 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.307 -9.558 -8.287 1.00 0.00 C ATOM 0 H ILE A 11 0.123 -13.294 -8.170 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.944 -12.884 -10.831 1.00 0.00 H new ATOM 0 HB ILE A 11 1.289 -11.424 -9.367 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.716 -10.854 -9.295 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.843 -11.633 -7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.507 -9.522 -10.766 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.998 -10.900 -11.779 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.729 -10.572 -11.498 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.046 -9.193 -7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.660 -9.648 -7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.227 -8.856 -9.117 1.00 0.00 H new ATOM 187 N THR A 12 0.830 -13.851 -12.271 1.00 0.00 N ATOM 188 CA THR A 12 1.855 -14.432 -13.141 1.00 0.00 C ATOM 189 C THR A 12 2.321 -13.407 -14.169 1.00 0.00 C ATOM 190 O THR A 12 3.363 -13.578 -14.800 1.00 0.00 O ATOM 191 CB THR A 12 1.289 -15.663 -13.854 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.023 -15.372 -14.308 1.00 0.00 O ATOM 193 CG2 THR A 12 1.244 -16.847 -12.886 1.00 0.00 C ATOM 0 H THR A 12 -0.091 -13.767 -12.700 1.00 0.00 H new ATOM 0 HA THR A 12 2.708 -14.728 -12.531 1.00 0.00 H new ATOM 0 HB THR A 12 1.925 -15.919 -14.701 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.144 -14.401 -14.357 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.840 -17.721 -13.398 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.252 -17.067 -12.533 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.608 -16.598 -12.036 1.00 0.00 H new ATOM 201 N GLY A 13 1.543 -12.339 -14.327 1.00 0.00 N ATOM 202 CA GLY A 13 1.886 -11.283 -15.279 1.00 0.00 C ATOM 203 C GLY A 13 0.644 -10.715 -15.951 1.00 0.00 C ATOM 204 O GLY A 13 -0.430 -11.310 -15.904 1.00 0.00 O ATOM 0 H GLY A 13 0.676 -12.181 -13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.419 -10.485 -14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.562 -11.680 -16.036 1.00 0.00 H new ATOM 208 N PHE A 14 0.804 -9.559 -16.583 1.00 0.00 N ATOM 209 CA PHE A 14 -0.308 -8.919 -17.272 1.00 0.00 C ATOM 210 C PHE A 14 -0.620 -9.667 -18.568 1.00 0.00 C ATOM 211 O PHE A 14 0.143 -10.533 -18.995 1.00 0.00 O ATOM 212 CB PHE A 14 0.031 -7.443 -17.574 1.00 0.00 C ATOM 213 CG PHE A 14 1.529 -7.286 -17.714 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.232 -8.076 -18.630 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.218 -6.356 -16.922 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.619 -7.937 -18.757 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.603 -6.218 -17.048 1.00 0.00 C ATOM 218 CZ PHE A 14 4.305 -7.008 -17.967 1.00 0.00 C ATOM 0 H PHE A 14 1.686 -9.049 -16.633 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.187 -8.949 -16.628 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.466 -7.125 -18.491 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.339 -6.803 -16.773 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.704 -8.794 -19.240 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.678 -5.746 -16.214 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.160 -8.547 -19.465 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.132 -5.502 -16.437 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.375 -6.900 -18.066 1.00 0.00 H new ATOM 228 N SER A 15 -1.743 -9.325 -19.186 1.00 0.00 N ATOM 229 CA SER A 15 -2.148 -9.964 -20.432 1.00 0.00 C ATOM 230 C SER A 15 -1.467 -9.293 -21.621 1.00 0.00 C ATOM 231 O SER A 15 -0.902 -8.208 -21.494 1.00 0.00 O ATOM 232 CB SER A 15 -3.661 -9.877 -20.587 1.00 0.00 C ATOM 233 OG SER A 15 -4.086 -10.791 -21.590 1.00 0.00 O ATOM 0 H SER A 15 -2.388 -8.611 -18.847 1.00 0.00 H new ATOM 0 HA SER A 15 -1.847 -11.011 -20.403 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.149 -10.107 -19.640 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.952 -8.862 -20.857 1.00 0.00 H new ATOM 0 HG SER A 15 -4.541 -11.550 -21.169 1.00 0.00 H new ATOM 239 N ARG A 16 -1.527 -9.945 -22.776 1.00 0.00 N ATOM 240 CA ARG A 16 -0.914 -9.398 -23.981 1.00 0.00 C ATOM 241 C ARG A 16 -1.694 -8.185 -24.475 1.00 0.00 C ATOM 242 O ARG A 16 -1.113 -7.219 -24.971 1.00 0.00 O ATOM 243 CB ARG A 16 -0.868 -10.477 -25.067 1.00 0.00 C ATOM 244 CG ARG A 16 -2.293 -10.886 -25.448 1.00 0.00 C ATOM 245 CD ARG A 16 -2.243 -12.046 -26.440 1.00 0.00 C ATOM 246 NE ARG A 16 -3.591 -12.397 -26.870 1.00 0.00 N ATOM 247 CZ ARG A 16 -4.354 -13.220 -26.155 1.00 0.00 C ATOM 248 NH1 ARG A 16 -3.900 -13.730 -25.043 1.00 0.00 N ATOM 249 NH2 ARG A 16 -5.556 -13.515 -26.565 1.00 0.00 N ATOM 0 H ARG A 16 -1.989 -10.845 -22.904 1.00 0.00 H new ATOM 0 HA ARG A 16 0.102 -9.078 -23.748 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.340 -10.102 -25.944 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.314 -11.344 -24.708 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.849 -11.179 -24.557 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.820 -10.040 -25.888 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.638 -11.770 -27.304 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.764 -12.909 -25.978 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.957 -12.004 -27.737 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.960 -13.498 -24.722 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.485 -14.361 -24.495 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.911 -13.115 -27.433 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.141 -14.146 -26.017 1.00 0.00 H new ATOM 263 N GLU A 17 -3.016 -8.247 -24.343 1.00 0.00 N ATOM 264 CA GLU A 17 -3.875 -7.154 -24.780 1.00 0.00 C ATOM 265 C GLU A 17 -3.904 -6.056 -23.720 1.00 0.00 C ATOM 266 O GLU A 17 -4.491 -4.993 -23.924 1.00 0.00 O ATOM 267 CB GLU A 17 -5.294 -7.682 -25.022 1.00 0.00 C ATOM 268 CG GLU A 17 -6.115 -6.639 -25.792 1.00 0.00 C ATOM 269 CD GLU A 17 -7.485 -7.206 -26.147 1.00 0.00 C ATOM 270 OE1 GLU A 17 -7.839 -8.235 -25.597 1.00 0.00 O ATOM 271 OE2 GLU A 17 -8.160 -6.599 -26.961 1.00 0.00 O ATOM 0 H GLU A 17 -3.513 -9.040 -23.938 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.481 -6.738 -25.707 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.253 -8.614 -25.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.775 -7.906 -24.070 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.231 -5.739 -25.188 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.587 -6.348 -26.700 1.00 0.00 H new ATOM 278 N ILE A 18 -3.266 -6.317 -22.579 1.00 0.00 N ATOM 279 CA ILE A 18 -3.232 -5.340 -21.491 1.00 0.00 C ATOM 280 C ILE A 18 -3.018 -3.935 -22.045 1.00 0.00 C ATOM 281 O ILE A 18 -2.270 -3.748 -23.006 1.00 0.00 O ATOM 282 CB ILE A 18 -2.107 -5.685 -20.504 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.217 -4.793 -19.260 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.750 -5.462 -21.173 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.509 -5.105 -18.487 1.00 0.00 C ATOM 0 H ILE A 18 -2.771 -7.187 -22.385 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.188 -5.372 -20.968 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.198 -6.730 -20.208 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.353 -4.951 -18.615 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.207 -3.744 -19.555 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.047 -5.707 -20.471 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.668 -6.101 -22.052 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.660 -4.418 -21.474 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.571 -4.464 -17.608 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.370 -4.924 -19.130 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.503 -6.149 -18.174 1.00 0.00 H new ATOM 297 N SER A 19 -3.689 -2.950 -21.451 1.00 0.00 N ATOM 298 CA SER A 19 -3.570 -1.572 -21.915 1.00 0.00 C ATOM 299 C SER A 19 -2.284 -0.926 -21.381 1.00 0.00 C ATOM 300 O SER A 19 -1.818 -1.283 -20.298 1.00 0.00 O ATOM 301 CB SER A 19 -4.786 -0.765 -21.450 1.00 0.00 C ATOM 302 OG SER A 19 -5.899 -1.071 -22.279 1.00 0.00 O ATOM 0 H SER A 19 -4.314 -3.079 -20.656 1.00 0.00 H new ATOM 0 HA SER A 19 -3.528 -1.576 -23.004 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.017 -1.000 -20.411 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.567 0.302 -21.495 1.00 0.00 H new ATOM 0 HG SER A 19 -6.679 -0.557 -21.982 1.00 0.00 H new ATOM 308 N PRO A 20 -1.707 0.023 -22.093 1.00 0.00 N ATOM 309 CA PRO A 20 -0.464 0.713 -21.630 1.00 0.00 C ATOM 310 C PRO A 20 -0.585 1.242 -20.201 1.00 0.00 C ATOM 311 O PRO A 20 0.374 1.200 -19.434 1.00 0.00 O ATOM 312 CB PRO A 20 -0.296 1.880 -22.617 1.00 0.00 C ATOM 313 CG PRO A 20 -1.016 1.461 -23.857 1.00 0.00 C ATOM 314 CD PRO A 20 -2.152 0.535 -23.410 1.00 0.00 C ATOM 0 HA PRO A 20 0.386 0.031 -21.612 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.716 2.800 -22.211 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.757 2.073 -22.821 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.409 2.328 -24.389 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.342 0.946 -24.541 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.096 1.073 -23.330 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.307 -0.277 -24.121 1.00 0.00 H new ATOM 322 N ALA A 21 -1.758 1.764 -19.862 1.00 0.00 N ATOM 323 CA ALA A 21 -1.975 2.325 -18.534 1.00 0.00 C ATOM 324 C ALA A 21 -1.612 1.325 -17.440 1.00 0.00 C ATOM 325 O ALA A 21 -0.761 1.599 -16.593 1.00 0.00 O ATOM 326 CB ALA A 21 -3.444 2.733 -18.378 1.00 0.00 C ATOM 0 H ALA A 21 -2.567 1.811 -20.482 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.330 3.198 -18.430 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.602 3.152 -17.384 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.696 3.480 -19.131 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.080 1.858 -18.508 1.00 0.00 H new ATOM 332 N TYR A 22 -2.258 0.167 -17.460 1.00 0.00 N ATOM 333 CA TYR A 22 -1.997 -0.855 -16.458 1.00 0.00 C ATOM 334 C TYR A 22 -0.557 -1.344 -16.555 1.00 0.00 C ATOM 335 O TYR A 22 0.164 -1.420 -15.556 1.00 0.00 O ATOM 336 CB TYR A 22 -2.955 -2.026 -16.663 1.00 0.00 C ATOM 337 CG TYR A 22 -2.745 -3.047 -15.574 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.709 -3.982 -15.679 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.596 -3.068 -14.462 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.525 -4.937 -14.675 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.411 -4.022 -13.457 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.375 -4.957 -13.563 1.00 0.00 C ATOM 343 OH TYR A 22 -2.192 -5.897 -12.570 1.00 0.00 O ATOM 0 H TYR A 22 -2.961 -0.086 -18.154 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.151 -0.425 -15.468 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.986 -1.672 -16.650 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.786 -2.481 -17.639 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.052 -3.966 -16.536 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.396 -2.347 -14.381 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.727 -5.660 -14.757 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.067 -4.037 -12.599 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.867 -5.770 -11.871 1.00 0.00 H new ATOM 353 N ARG A 23 -0.141 -1.665 -17.770 1.00 0.00 N ATOM 354 CA ARG A 23 1.210 -2.147 -17.994 1.00 0.00 C ATOM 355 C ARG A 23 2.222 -1.115 -17.502 1.00 0.00 C ATOM 356 O ARG A 23 3.236 -1.463 -16.893 1.00 0.00 O ATOM 357 CB ARG A 23 1.419 -2.432 -19.482 1.00 0.00 C ATOM 358 CG ARG A 23 2.695 -3.254 -19.665 1.00 0.00 C ATOM 359 CD ARG A 23 2.870 -3.619 -21.139 1.00 0.00 C ATOM 360 NE ARG A 23 3.091 -2.417 -21.936 1.00 0.00 N ATOM 361 CZ ARG A 23 3.165 -2.478 -23.263 1.00 0.00 C ATOM 362 NH1 ARG A 23 3.042 -3.625 -23.872 1.00 0.00 N ATOM 363 NH2 ARG A 23 3.363 -1.390 -23.957 1.00 0.00 N ATOM 0 H ARG A 23 -0.716 -1.601 -18.610 1.00 0.00 H new ATOM 0 HA ARG A 23 1.358 -3.071 -17.435 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.563 -2.974 -19.884 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.493 -1.496 -20.036 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.557 -2.686 -19.317 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.645 -4.160 -19.060 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.713 -4.300 -21.254 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.985 -4.144 -21.498 1.00 0.00 H new ATOM 0 HE ARG A 23 3.190 -1.516 -21.469 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.889 -4.476 -23.331 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.099 -3.671 -24.889 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.461 -0.493 -23.482 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.420 -1.437 -24.974 1.00 0.00 H new ATOM 377 N GLN A 24 1.935 0.156 -17.763 1.00 0.00 N ATOM 378 CA GLN A 24 2.818 1.233 -17.335 1.00 0.00 C ATOM 379 C GLN A 24 2.928 1.251 -15.814 1.00 0.00 C ATOM 380 O GLN A 24 4.010 1.466 -15.267 1.00 0.00 O ATOM 381 CB GLN A 24 2.283 2.580 -17.829 1.00 0.00 C ATOM 382 CG GLN A 24 3.230 3.711 -17.404 1.00 0.00 C ATOM 383 CD GLN A 24 2.954 4.127 -15.962 1.00 0.00 C ATOM 384 OE1 GLN A 24 1.996 3.654 -15.349 1.00 0.00 O ATOM 385 NE2 GLN A 24 3.735 4.996 -15.383 1.00 0.00 N ATOM 0 H GLN A 24 1.103 0.464 -18.266 1.00 0.00 H new ATOM 0 HA GLN A 24 3.807 1.063 -17.761 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.185 2.565 -18.915 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.287 2.756 -17.422 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.265 3.383 -17.502 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.103 4.567 -18.066 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.528 5.387 -15.891 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.553 5.285 -14.422 1.00 0.00 H new ATOM 394 N LYS A 25 1.811 1.008 -15.129 1.00 0.00 N ATOM 395 CA LYS A 25 1.829 0.994 -13.669 1.00 0.00 C ATOM 396 C LYS A 25 2.779 -0.083 -13.164 1.00 0.00 C ATOM 397 O LYS A 25 3.562 0.158 -12.248 1.00 0.00 O ATOM 398 CB LYS A 25 0.431 0.730 -13.114 1.00 0.00 C ATOM 399 CG LYS A 25 -0.447 1.960 -13.330 1.00 0.00 C ATOM 400 CD LYS A 25 -1.864 1.662 -12.843 1.00 0.00 C ATOM 401 CE LYS A 25 -2.736 2.902 -13.036 1.00 0.00 C ATOM 402 NZ LYS A 25 -4.122 2.610 -12.578 1.00 0.00 N ATOM 0 H LYS A 25 0.901 0.822 -15.551 1.00 0.00 H new ATOM 0 HA LYS A 25 2.170 1.971 -13.327 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.010 -0.135 -13.609 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.489 0.494 -12.051 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.037 2.813 -12.790 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.462 2.229 -14.386 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.281 0.820 -13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.847 1.376 -11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.325 3.740 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.743 3.195 -14.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.716 3.454 -12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.512 1.822 -13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.107 2.350 -11.571 1.00 0.00 H new ATOM 416 N LEU A 26 2.723 -1.266 -13.773 1.00 0.00 N ATOM 417 CA LEU A 26 3.613 -2.352 -13.364 1.00 0.00 C ATOM 418 C LEU A 26 5.072 -1.968 -13.622 1.00 0.00 C ATOM 419 O LEU A 26 5.956 -2.286 -12.828 1.00 0.00 O ATOM 420 CB LEU A 26 3.273 -3.657 -14.114 1.00 0.00 C ATOM 421 CG LEU A 26 2.200 -4.452 -13.351 1.00 0.00 C ATOM 422 CD1 LEU A 26 2.746 -4.923 -11.983 1.00 0.00 C ATOM 423 CD2 LEU A 26 0.966 -3.574 -13.149 1.00 0.00 C ATOM 0 H LEU A 26 2.085 -1.495 -14.535 1.00 0.00 H new ATOM 0 HA LEU A 26 3.471 -2.521 -12.297 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.917 -3.425 -15.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.172 -4.263 -14.227 1.00 0.00 H new ATOM 0 HG LEU A 26 1.928 -5.332 -13.933 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.974 -5.484 -11.457 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.616 -5.561 -12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.034 -4.056 -11.388 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.204 -4.136 -12.608 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.239 -2.689 -12.575 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.573 -3.270 -14.119 1.00 0.00 H new ATOM 435 N LEU A 27 5.318 -1.301 -14.743 1.00 0.00 N ATOM 436 CA LEU A 27 6.675 -0.889 -15.090 1.00 0.00 C ATOM 437 C LEU A 27 7.063 0.393 -14.352 1.00 0.00 C ATOM 438 O LEU A 27 8.246 0.682 -14.169 1.00 0.00 O ATOM 439 CB LEU A 27 6.784 -0.678 -16.606 1.00 0.00 C ATOM 440 CG LEU A 27 8.235 -0.278 -16.989 1.00 0.00 C ATOM 441 CD1 LEU A 27 8.653 -1.000 -18.274 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.320 1.237 -17.224 1.00 0.00 C ATOM 0 H LEU A 27 4.605 -1.035 -15.422 1.00 0.00 H new ATOM 0 HA LEU A 27 7.363 -1.678 -14.786 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.501 -1.591 -17.129 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.089 0.099 -16.923 1.00 0.00 H new ATOM 0 HG LEU A 27 8.899 -0.561 -16.172 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.672 -0.715 -18.537 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.607 -2.078 -18.117 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.978 -0.722 -19.084 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.342 1.507 -17.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.646 1.518 -18.033 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.033 1.763 -16.314 1.00 0.00 H new ATOM 454 N SER A 28 6.058 1.163 -13.942 1.00 0.00 N ATOM 455 CA SER A 28 6.304 2.422 -13.237 1.00 0.00 C ATOM 456 C SER A 28 7.051 2.184 -11.930 1.00 0.00 C ATOM 457 O SER A 28 8.002 2.895 -11.608 1.00 0.00 O ATOM 458 CB SER A 28 4.974 3.110 -12.935 1.00 0.00 C ATOM 459 OG SER A 28 5.224 4.347 -12.280 1.00 0.00 O ATOM 0 H SER A 28 5.072 0.941 -14.083 1.00 0.00 H new ATOM 0 HA SER A 28 6.917 3.055 -13.878 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.421 3.280 -13.859 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.355 2.470 -12.306 1.00 0.00 H new ATOM 0 HG SER A 28 4.373 4.792 -12.086 1.00 0.00 H new ATOM 465 N LEU A 29 6.606 1.184 -11.179 1.00 0.00 N ATOM 466 CA LEU A 29 7.223 0.848 -9.892 1.00 0.00 C ATOM 467 C LEU A 29 8.016 -0.458 -10.011 1.00 0.00 C ATOM 468 O LEU A 29 7.803 -1.244 -10.934 1.00 0.00 O ATOM 469 CB LEU A 29 6.135 0.716 -8.801 1.00 0.00 C ATOM 470 CG LEU A 29 4.805 0.266 -9.425 1.00 0.00 C ATOM 471 CD1 LEU A 29 4.991 -1.080 -10.145 1.00 0.00 C ATOM 472 CD2 LEU A 29 3.754 0.116 -8.319 1.00 0.00 C ATOM 0 H LEU A 29 5.819 0.588 -11.435 1.00 0.00 H new ATOM 0 HA LEU A 29 7.908 1.648 -9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.452 -0.004 -8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.002 1.671 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 29 4.475 1.012 -10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.043 -1.392 -10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.738 -0.972 -10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.324 -1.832 -9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.808 -0.203 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.089 -0.629 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.616 1.073 -7.816 1.00 0.00 H new ATOM 484 N GLY A 30 8.936 -0.671 -9.072 1.00 0.00 N ATOM 485 CA GLY A 30 9.764 -1.876 -9.073 1.00 0.00 C ATOM 486 C GLY A 30 9.016 -3.055 -8.469 1.00 0.00 C ATOM 487 O GLY A 30 9.611 -3.925 -7.830 1.00 0.00 O ATOM 0 H GLY A 30 9.127 -0.028 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.062 -2.115 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.678 -1.693 -8.508 1.00 0.00 H new ATOM 491 N MET A 31 7.706 -3.083 -8.691 1.00 0.00 N ATOM 492 CA MET A 31 6.857 -4.164 -8.188 1.00 0.00 C ATOM 493 C MET A 31 6.329 -4.966 -9.363 1.00 0.00 C ATOM 494 O MET A 31 5.161 -4.855 -9.732 1.00 0.00 O ATOM 495 CB MET A 31 5.672 -3.602 -7.397 1.00 0.00 C ATOM 496 CG MET A 31 5.018 -4.726 -6.592 1.00 0.00 C ATOM 497 SD MET A 31 6.111 -5.209 -5.234 1.00 0.00 S ATOM 498 CE MET A 31 5.482 -4.031 -4.013 1.00 0.00 C ATOM 0 H MET A 31 7.205 -2.368 -9.218 1.00 0.00 H new ATOM 0 HA MET A 31 7.451 -4.797 -7.528 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.010 -2.810 -6.728 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.946 -3.157 -8.077 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.057 -4.395 -6.199 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.821 -5.583 -7.237 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.236 -3.868 -3.243 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.254 -3.085 -4.504 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.577 -4.430 -3.555 1.00 0.00 H new ATOM 508 N LEU A 32 7.201 -5.762 -9.956 1.00 0.00 N ATOM 509 CA LEU A 32 6.818 -6.570 -11.102 1.00 0.00 C ATOM 510 C LEU A 32 6.114 -7.851 -10.632 1.00 0.00 C ATOM 511 O LEU A 32 6.352 -8.317 -9.517 1.00 0.00 O ATOM 512 CB LEU A 32 8.081 -6.915 -11.907 1.00 0.00 C ATOM 513 CG LEU A 32 8.498 -5.749 -12.826 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.561 -5.633 -14.040 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.487 -4.435 -12.035 1.00 0.00 C ATOM 0 H LEU A 32 8.173 -5.867 -9.666 1.00 0.00 H new ATOM 0 HA LEU A 32 6.125 -6.014 -11.733 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.897 -7.151 -11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.900 -7.807 -12.507 1.00 0.00 H new ATOM 0 HG LEU A 32 9.505 -5.949 -13.192 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.881 -4.802 -14.669 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.595 -6.558 -14.616 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.541 -5.457 -13.697 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.782 -3.614 -12.689 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.484 -4.250 -11.651 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.187 -4.506 -11.202 1.00 0.00 H new ATOM 527 N PRO A 33 5.259 -8.421 -11.450 1.00 0.00 N ATOM 528 CA PRO A 33 4.516 -9.665 -11.102 1.00 0.00 C ATOM 529 C PRO A 33 5.384 -10.672 -10.360 1.00 0.00 C ATOM 530 O PRO A 33 6.603 -10.524 -10.289 1.00 0.00 O ATOM 531 CB PRO A 33 4.085 -10.226 -12.459 1.00 0.00 C ATOM 532 CG PRO A 33 4.010 -9.043 -13.377 1.00 0.00 C ATOM 533 CD PRO A 33 4.899 -7.939 -12.791 1.00 0.00 C ATOM 0 HA PRO A 33 3.682 -9.460 -10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.801 -10.962 -12.825 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.120 -10.729 -12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.347 -9.314 -14.378 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.981 -8.696 -13.470 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.785 -7.777 -13.405 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.368 -6.988 -12.741 1.00 0.00 H new ATOM 541 N GLY A 34 4.742 -11.704 -9.821 1.00 0.00 N ATOM 542 CA GLY A 34 5.451 -12.745 -9.088 1.00 0.00 C ATOM 543 C GLY A 34 4.965 -12.815 -7.645 1.00 0.00 C ATOM 544 O GLY A 34 5.577 -13.474 -6.804 1.00 0.00 O ATOM 0 H GLY A 34 3.733 -11.841 -9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.298 -13.708 -9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.522 -12.544 -9.107 1.00 0.00 H new ATOM 548 N SER A 35 3.851 -12.134 -7.367 1.00 0.00 N ATOM 549 CA SER A 35 3.267 -12.121 -6.021 1.00 0.00 C ATOM 550 C SER A 35 1.801 -12.531 -6.081 1.00 0.00 C ATOM 551 O SER A 35 1.314 -12.968 -7.123 1.00 0.00 O ATOM 552 CB SER A 35 3.374 -10.724 -5.410 1.00 0.00 C ATOM 553 OG SER A 35 2.566 -9.821 -6.154 1.00 0.00 O ATOM 0 H SER A 35 3.335 -11.585 -8.054 1.00 0.00 H new ATOM 0 HA SER A 35 3.817 -12.829 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.052 -10.745 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.412 -10.391 -5.416 1.00 0.00 H new ATOM 0 HG SER A 35 2.632 -8.925 -5.763 1.00 0.00 H new ATOM 559 N SER A 36 1.102 -12.391 -4.957 1.00 0.00 N ATOM 560 CA SER A 36 -0.316 -12.752 -4.885 1.00 0.00 C ATOM 561 C SER A 36 -1.125 -11.633 -4.242 1.00 0.00 C ATOM 562 O SER A 36 -0.585 -10.808 -3.507 1.00 0.00 O ATOM 563 CB SER A 36 -0.487 -14.036 -4.072 1.00 0.00 C ATOM 564 OG SER A 36 0.115 -15.118 -4.770 1.00 0.00 O ATOM 0 H SER A 36 1.491 -12.032 -4.085 1.00 0.00 H new ATOM 0 HA SER A 36 -0.681 -12.911 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.028 -13.922 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.546 -14.238 -3.908 1.00 0.00 H new ATOM 0 HG SER A 36 0.008 -15.942 -4.251 1.00 0.00 H new ATOM 570 N PHE A 37 -2.428 -11.612 -4.525 1.00 0.00 N ATOM 571 CA PHE A 37 -3.312 -10.586 -3.971 1.00 0.00 C ATOM 572 C PHE A 37 -4.630 -11.210 -3.520 1.00 0.00 C ATOM 573 O PHE A 37 -4.991 -12.310 -3.953 1.00 0.00 O ATOM 574 CB PHE A 37 -3.586 -9.507 -5.024 1.00 0.00 C ATOM 575 CG PHE A 37 -4.485 -10.057 -6.104 1.00 0.00 C ATOM 576 CD1 PHE A 37 -5.871 -9.955 -5.959 1.00 0.00 C ATOM 577 CD2 PHE A 37 -3.942 -10.674 -7.237 1.00 0.00 C ATOM 578 CE1 PHE A 37 -6.718 -10.466 -6.946 1.00 0.00 C ATOM 579 CE2 PHE A 37 -4.789 -11.187 -8.227 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.178 -11.082 -8.081 1.00 0.00 C ATOM 0 H PHE A 37 -2.892 -12.289 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.822 -10.132 -3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.054 -8.641 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.647 -9.166 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.288 -9.481 -5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.871 -10.754 -7.348 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.789 -10.386 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.372 -11.663 -9.102 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.832 -11.476 -8.844 1.00 0.00 H new ATOM 590 N ASN A 38 -5.343 -10.502 -2.642 1.00 0.00 N ATOM 591 CA ASN A 38 -6.625 -10.982 -2.123 1.00 0.00 C ATOM 592 C ASN A 38 -7.758 -10.043 -2.520 1.00 0.00 C ATOM 593 O ASN A 38 -7.576 -8.820 -2.605 1.00 0.00 O ATOM 594 CB ASN A 38 -6.556 -11.087 -0.599 1.00 0.00 C ATOM 595 CG ASN A 38 -5.572 -12.183 -0.203 1.00 0.00 C ATOM 596 OD1 ASN A 38 -5.343 -13.118 -0.969 1.00 0.00 O ATOM 597 ND2 ASN A 38 -4.969 -12.120 0.951 1.00 0.00 N ATOM 0 H ASN A 38 -5.055 -9.595 -2.276 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.824 -11.964 -2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.244 -10.133 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.544 -11.309 -0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.306 -12.847 1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.160 -11.344 1.585 1.00 0.00 H new ATOM 604 N VAL A 39 -8.935 -10.618 -2.761 1.00 0.00 N ATOM 605 CA VAL A 39 -10.097 -9.827 -3.147 1.00 0.00 C ATOM 606 C VAL A 39 -10.818 -9.309 -1.906 1.00 0.00 C ATOM 607 O VAL A 39 -11.149 -10.079 -1.004 1.00 0.00 O ATOM 608 CB VAL A 39 -11.062 -10.681 -3.969 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.250 -9.823 -4.403 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.342 -11.224 -5.206 1.00 0.00 C ATOM 0 H VAL A 39 -9.107 -11.621 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.757 -8.982 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.416 -11.516 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.941 -10.428 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.763 -9.439 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.895 -8.989 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.032 -11.833 -5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.987 -10.392 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.494 -11.834 -4.895 1.00 0.00 H new ATOM 620 N VAL A 40 -11.056 -8.004 -1.860 1.00 0.00 N ATOM 621 CA VAL A 40 -11.740 -7.402 -0.720 1.00 0.00 C ATOM 622 C VAL A 40 -13.217 -7.793 -0.692 1.00 0.00 C ATOM 623 O VAL A 40 -13.771 -8.071 0.371 1.00 0.00 O ATOM 624 CB VAL A 40 -11.582 -5.871 -0.761 1.00 0.00 C ATOM 625 CG1 VAL A 40 -11.910 -5.329 -2.165 1.00 0.00 C ATOM 626 CG2 VAL A 40 -12.516 -5.228 0.271 1.00 0.00 C ATOM 0 H VAL A 40 -10.788 -7.346 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.282 -7.780 0.194 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.548 -5.621 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.792 -4.245 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.232 -5.773 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.938 -5.584 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.402 -4.144 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.548 -5.491 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.262 -5.591 1.267 1.00 0.00 H new ATOM 636 N ARG A 41 -13.845 -7.797 -1.862 1.00 0.00 N ATOM 637 CA ARG A 41 -15.256 -8.130 -1.969 1.00 0.00 C ATOM 638 C ARG A 41 -15.675 -8.138 -3.433 1.00 0.00 C ATOM 639 O ARG A 41 -14.918 -7.717 -4.306 1.00 0.00 O ATOM 640 CB ARG A 41 -16.092 -7.091 -1.216 1.00 0.00 C ATOM 641 CG ARG A 41 -15.932 -5.724 -1.889 1.00 0.00 C ATOM 642 CD ARG A 41 -16.630 -4.659 -1.041 1.00 0.00 C ATOM 643 NE ARG A 41 -16.485 -3.346 -1.661 1.00 0.00 N ATOM 644 CZ ARG A 41 -17.340 -2.920 -2.588 1.00 0.00 C ATOM 645 NH1 ARG A 41 -18.325 -3.687 -2.969 1.00 0.00 N ATOM 646 NH2 ARG A 41 -17.191 -1.737 -3.117 1.00 0.00 N ATOM 0 H ARG A 41 -13.396 -7.573 -2.750 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.420 -9.117 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.141 -7.386 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.772 -7.036 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.875 -5.482 -2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.361 -5.746 -2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.687 -4.904 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.203 -4.645 -0.038 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.713 -2.742 -1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.440 -4.613 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.980 -3.361 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.420 -1.139 -2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.846 -1.410 -3.827 1.00 0.00 H new ATOM 660 N VAL A 42 -16.892 -8.600 -3.693 1.00 0.00 N ATOM 661 CA VAL A 42 -17.425 -8.635 -5.055 1.00 0.00 C ATOM 662 C VAL A 42 -18.887 -8.198 -5.046 1.00 0.00 C ATOM 663 O VAL A 42 -19.671 -8.692 -4.240 1.00 0.00 O ATOM 664 CB VAL A 42 -17.307 -10.049 -5.620 1.00 0.00 C ATOM 665 CG1 VAL A 42 -15.828 -10.420 -5.741 1.00 0.00 C ATOM 666 CG2 VAL A 42 -18.007 -11.039 -4.686 1.00 0.00 C ATOM 0 H VAL A 42 -17.530 -8.956 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.852 -7.953 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.778 -10.089 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.738 -11.429 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.330 -9.717 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.361 -10.379 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.920 -12.047 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.540 -11.004 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -19.060 -10.773 -4.597 1.00 0.00 H new ATOM 676 N ALA A 43 -19.249 -7.267 -5.931 1.00 0.00 N ATOM 677 CA ALA A 43 -20.630 -6.780 -5.997 1.00 0.00 C ATOM 678 C ALA A 43 -21.434 -7.561 -7.057 1.00 0.00 C ATOM 679 O ALA A 43 -21.201 -7.370 -8.251 1.00 0.00 O ATOM 680 CB ALA A 43 -20.614 -5.292 -6.375 1.00 0.00 C ATOM 0 H ALA A 43 -18.614 -6.839 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 43 -21.102 -6.923 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.637 -4.919 -6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -20.061 -4.731 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -20.133 -5.168 -7.345 1.00 0.00 H new ATOM 686 N PRO A 44 -22.384 -8.409 -6.678 1.00 0.00 N ATOM 687 CA PRO A 44 -23.211 -9.167 -7.675 1.00 0.00 C ATOM 688 C PRO A 44 -24.008 -8.239 -8.595 1.00 0.00 C ATOM 689 O PRO A 44 -24.432 -8.639 -9.680 1.00 0.00 O ATOM 690 CB PRO A 44 -24.170 -10.012 -6.815 1.00 0.00 C ATOM 691 CG PRO A 44 -23.531 -10.083 -5.470 1.00 0.00 C ATOM 692 CD PRO A 44 -22.766 -8.771 -5.295 1.00 0.00 C ATOM 0 HA PRO A 44 -22.582 -9.765 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -25.157 -9.552 -6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -24.306 -11.007 -7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.281 -10.204 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.859 -10.938 -5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -23.387 -8.002 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.892 -8.898 -4.657 1.00 0.00 H new ATOM 700 N LEU A 45 -24.228 -7.014 -8.138 1.00 0.00 N ATOM 701 CA LEU A 45 -24.999 -6.046 -8.908 1.00 0.00 C ATOM 702 C LEU A 45 -24.436 -5.911 -10.320 1.00 0.00 C ATOM 703 O LEU A 45 -25.011 -5.224 -11.163 1.00 0.00 O ATOM 704 CB LEU A 45 -24.959 -4.684 -8.209 1.00 0.00 C ATOM 705 CG LEU A 45 -25.384 -4.837 -6.742 1.00 0.00 C ATOM 706 CD1 LEU A 45 -25.322 -3.471 -6.051 1.00 0.00 C ATOM 707 CD2 LEU A 45 -26.815 -5.389 -6.661 1.00 0.00 C ATOM 0 H LEU A 45 -23.885 -6.667 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 45 -26.029 -6.396 -8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.953 -4.267 -8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.622 -3.985 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.708 -5.532 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.623 -3.576 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.303 -3.086 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.995 -2.777 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -27.106 -5.493 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.498 -4.703 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -26.857 -6.363 -7.149 1.00 0.00 H new ATOM 719 N GLY A 46 -23.309 -6.575 -10.574 1.00 0.00 N ATOM 720 CA GLY A 46 -22.676 -6.523 -11.889 1.00 0.00 C ATOM 721 C GLY A 46 -21.668 -5.385 -11.961 1.00 0.00 C ATOM 722 O GLY A 46 -21.491 -4.766 -13.011 1.00 0.00 O ATOM 0 H GLY A 46 -22.819 -7.152 -9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -22.177 -7.470 -12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -23.437 -6.390 -12.658 1.00 0.00 H new ATOM 726 N ASP A 47 -21.004 -5.107 -10.837 1.00 0.00 N ATOM 727 CA ASP A 47 -20.012 -4.033 -10.785 1.00 0.00 C ATOM 728 C ASP A 47 -18.605 -4.617 -10.955 1.00 0.00 C ATOM 729 O ASP A 47 -18.426 -5.835 -10.913 1.00 0.00 O ATOM 730 CB ASP A 47 -20.131 -3.287 -9.434 1.00 0.00 C ATOM 731 CG ASP A 47 -20.471 -1.811 -9.652 1.00 0.00 C ATOM 732 OD1 ASP A 47 -21.340 -1.538 -10.464 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.854 -0.981 -9.006 1.00 0.00 O ATOM 0 H ASP A 47 -21.134 -5.607 -9.957 1.00 0.00 H new ATOM 0 HA ASP A 47 -20.194 -3.327 -11.595 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -20.902 -3.755 -8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -19.194 -3.371 -8.884 1.00 0.00 H new ATOM 738 N PRO A 48 -17.609 -3.785 -11.139 1.00 0.00 N ATOM 739 CA PRO A 48 -16.208 -4.263 -11.313 1.00 0.00 C ATOM 740 C PRO A 48 -15.766 -5.165 -10.163 1.00 0.00 C ATOM 741 O PRO A 48 -16.570 -5.555 -9.317 1.00 0.00 O ATOM 742 CB PRO A 48 -15.366 -2.978 -11.364 1.00 0.00 C ATOM 743 CG PRO A 48 -16.326 -1.884 -11.727 1.00 0.00 C ATOM 744 CD PRO A 48 -17.700 -2.315 -11.203 1.00 0.00 C ATOM 0 HA PRO A 48 -16.098 -4.871 -12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.892 -2.781 -10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.568 -3.061 -12.102 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -16.021 -0.937 -11.281 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -16.353 -1.734 -12.806 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.907 -1.884 -10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -18.501 -1.993 -11.869 1.00 0.00 H new ATOM 752 N ILE A 49 -14.479 -5.501 -10.150 1.00 0.00 N ATOM 753 CA ILE A 49 -13.919 -6.370 -9.116 1.00 0.00 C ATOM 754 C ILE A 49 -12.971 -5.573 -8.233 1.00 0.00 C ATOM 755 O ILE A 49 -11.885 -5.185 -8.663 1.00 0.00 O ATOM 756 CB ILE A 49 -13.160 -7.523 -9.791 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.955 -8.007 -11.019 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.958 -8.679 -8.802 1.00 0.00 C ATOM 759 CD1 ILE A 49 -15.327 -8.554 -10.603 1.00 0.00 C ATOM 0 H ILE A 49 -13.802 -5.185 -10.845 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.721 -6.772 -8.497 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.180 -7.169 -10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.085 -7.183 -11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.392 -8.782 -11.539 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.419 -9.489 -9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.383 -8.328 -7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.928 -9.042 -8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.869 -8.889 -11.488 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.192 -9.393 -9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.896 -7.769 -10.105 1.00 0.00 H new ATOM 771 N HIS A 50 -13.388 -5.336 -6.995 1.00 0.00 N ATOM 772 CA HIS A 50 -12.573 -4.583 -6.053 1.00 0.00 C ATOM 773 C HIS A 50 -11.594 -5.508 -5.352 1.00 0.00 C ATOM 774 O HIS A 50 -11.992 -6.517 -4.768 1.00 0.00 O ATOM 775 CB HIS A 50 -13.471 -3.908 -5.017 1.00 0.00 C ATOM 776 CG HIS A 50 -14.259 -2.813 -5.680 1.00 0.00 C ATOM 777 ND1 HIS A 50 -14.430 -1.569 -5.095 1.00 0.00 N ATOM 778 CD2 HIS A 50 -14.925 -2.758 -6.880 1.00 0.00 C ATOM 779 CE1 HIS A 50 -15.172 -0.823 -5.935 1.00 0.00 C ATOM 780 NE2 HIS A 50 -15.502 -1.501 -7.037 1.00 0.00 N ATOM 0 H HIS A 50 -14.283 -5.654 -6.622 1.00 0.00 H new ATOM 0 HA HIS A 50 -12.015 -3.823 -6.600 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.146 -4.639 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.867 -3.498 -4.207 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.991 -3.567 -7.593 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.464 0.198 -5.741 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -16.058 -1.169 -7.825 1.00 0.00 H new ATOM 788 N ILE A 51 -10.310 -5.163 -5.414 1.00 0.00 N ATOM 789 CA ILE A 51 -9.273 -5.975 -4.779 1.00 0.00 C ATOM 790 C ILE A 51 -8.402 -5.116 -3.875 1.00 0.00 C ATOM 791 O ILE A 51 -8.223 -3.921 -4.121 1.00 0.00 O ATOM 792 CB ILE A 51 -8.408 -6.657 -5.850 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.745 -5.601 -6.748 1.00 0.00 C ATOM 794 CG2 ILE A 51 -9.287 -7.570 -6.711 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.695 -6.275 -7.635 1.00 0.00 C ATOM 0 H ILE A 51 -9.963 -4.332 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.756 -6.740 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.634 -7.245 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.497 -5.109 -7.365 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.279 -4.828 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.674 -8.054 -7.471 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.750 -8.329 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.063 -6.977 -7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.224 -5.527 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.938 -6.747 -7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.175 -7.031 -8.256 1.00 0.00 H new ATOM 807 N GLU A 52 -7.850 -5.734 -2.831 1.00 0.00 N ATOM 808 CA GLU A 52 -6.986 -5.012 -1.895 1.00 0.00 C ATOM 809 C GLU A 52 -5.698 -5.781 -1.671 1.00 0.00 C ATOM 810 O GLU A 52 -5.713 -7.000 -1.503 1.00 0.00 O ATOM 811 CB GLU A 52 -7.703 -4.803 -0.559 1.00 0.00 C ATOM 812 CG GLU A 52 -7.894 -6.151 0.155 1.00 0.00 C ATOM 813 CD GLU A 52 -6.634 -6.531 0.935 1.00 0.00 C ATOM 814 OE1 GLU A 52 -5.694 -5.755 0.927 1.00 0.00 O ATOM 815 OE2 GLU A 52 -6.633 -7.593 1.534 1.00 0.00 O ATOM 0 H GLU A 52 -7.983 -6.721 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.750 -4.039 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.124 -4.128 0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.671 -4.331 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.744 -6.092 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.123 -6.926 -0.576 1.00 0.00 H new ATOM 822 N THR A 53 -4.580 -5.061 -1.663 1.00 0.00 N ATOM 823 CA THR A 53 -3.273 -5.682 -1.451 1.00 0.00 C ATOM 824 C THR A 53 -2.516 -4.947 -0.348 1.00 0.00 C ATOM 825 O THR A 53 -2.608 -3.725 -0.222 1.00 0.00 O ATOM 826 CB THR A 53 -2.474 -5.653 -2.761 1.00 0.00 C ATOM 827 OG1 THR A 53 -1.845 -4.388 -2.897 1.00 0.00 O ATOM 828 CG2 THR A 53 -3.417 -5.880 -3.956 1.00 0.00 C ATOM 0 H THR A 53 -4.551 -4.051 -1.800 1.00 0.00 H new ATOM 0 HA THR A 53 -3.411 -6.718 -1.142 1.00 0.00 H new ATOM 0 HB THR A 53 -1.723 -6.442 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.520 -3.708 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.843 -5.858 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.906 -6.849 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.172 -5.094 -3.978 1.00 0.00 H new ATOM 836 N ARG A 54 -1.770 -5.700 0.450 1.00 0.00 N ATOM 837 CA ARG A 54 -1.015 -5.114 1.549 1.00 0.00 C ATOM 838 C ARG A 54 -0.210 -3.913 1.068 1.00 0.00 C ATOM 839 O ARG A 54 -0.080 -2.914 1.776 1.00 0.00 O ATOM 840 CB ARG A 54 -0.083 -6.170 2.151 1.00 0.00 C ATOM 841 CG ARG A 54 0.909 -6.646 1.086 1.00 0.00 C ATOM 842 CD ARG A 54 1.784 -7.758 1.661 1.00 0.00 C ATOM 843 NE ARG A 54 2.764 -8.184 0.668 1.00 0.00 N ATOM 844 CZ ARG A 54 3.430 -9.325 0.805 1.00 0.00 C ATOM 845 NH1 ARG A 54 3.213 -10.085 1.843 1.00 0.00 N ATOM 846 NH2 ARG A 54 4.302 -9.683 -0.098 1.00 0.00 N ATOM 0 H ARG A 54 -1.672 -6.711 0.358 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.713 -4.771 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.454 -5.752 3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.665 -7.013 2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.371 -7.009 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.531 -5.814 0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.293 -7.405 2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.164 -8.604 1.958 1.00 0.00 H new ATOM 0 HE ARG A 54 2.941 -7.595 -0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.532 -9.803 2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.724 -10.961 1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.471 -9.087 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.814 -10.559 0.006 1.00 0.00 H new ATOM 860 N ARG A 55 0.320 -4.014 -0.140 1.00 0.00 N ATOM 861 CA ARG A 55 1.101 -2.929 -0.709 1.00 0.00 C ATOM 862 C ARG A 55 0.199 -1.760 -1.113 1.00 0.00 C ATOM 863 O ARG A 55 0.573 -0.597 -0.952 1.00 0.00 O ATOM 864 CB ARG A 55 1.887 -3.437 -1.920 1.00 0.00 C ATOM 865 CG ARG A 55 0.928 -4.072 -2.926 1.00 0.00 C ATOM 866 CD ARG A 55 1.712 -4.597 -4.126 1.00 0.00 C ATOM 867 NE ARG A 55 2.330 -3.489 -4.844 1.00 0.00 N ATOM 868 CZ ARG A 55 1.653 -2.786 -5.746 1.00 0.00 C ATOM 869 NH1 ARG A 55 0.407 -3.078 -6.004 1.00 0.00 N ATOM 870 NH2 ARG A 55 2.235 -1.802 -6.375 1.00 0.00 N ATOM 0 H ARG A 55 0.224 -4.832 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 55 1.800 -2.570 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.427 -2.613 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.632 -4.167 -1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.378 -4.887 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.192 -3.338 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.478 -5.297 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.047 -5.147 -4.792 1.00 0.00 H new ATOM 0 HE ARG A 55 3.302 -3.248 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.049 -3.847 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.111 -2.537 -6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.208 -1.573 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.716 -1.262 -7.068 1.00 0.00 H new ATOM 884 N VAL A 56 -0.986 -2.072 -1.636 1.00 0.00 N ATOM 885 CA VAL A 56 -1.921 -1.031 -2.057 1.00 0.00 C ATOM 886 C VAL A 56 -3.283 -1.642 -2.372 1.00 0.00 C ATOM 887 O VAL A 56 -3.488 -2.845 -2.208 1.00 0.00 O ATOM 888 CB VAL A 56 -1.359 -0.300 -3.297 1.00 0.00 C ATOM 889 CG1 VAL A 56 -1.603 -1.133 -4.568 1.00 0.00 C ATOM 890 CG2 VAL A 56 -2.013 1.087 -3.467 1.00 0.00 C ATOM 0 H VAL A 56 -1.318 -3.026 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.046 -0.312 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.287 -0.169 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.201 -0.604 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.107 -2.099 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.674 -1.287 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.599 1.579 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.090 0.969 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.813 1.694 -2.584 1.00 0.00 H new ATOM 900 N SER A 57 -4.209 -0.812 -2.846 1.00 0.00 N ATOM 901 CA SER A 57 -5.543 -1.283 -3.205 1.00 0.00 C ATOM 902 C SER A 57 -5.912 -0.780 -4.593 1.00 0.00 C ATOM 903 O SER A 57 -5.451 0.279 -5.021 1.00 0.00 O ATOM 904 CB SER A 57 -6.570 -0.786 -2.187 1.00 0.00 C ATOM 905 OG SER A 57 -6.455 0.624 -2.059 1.00 0.00 O ATOM 0 H SER A 57 -4.060 0.187 -2.990 1.00 0.00 H new ATOM 0 HA SER A 57 -5.543 -2.373 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.577 -1.053 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.405 -1.266 -1.222 1.00 0.00 H new ATOM 0 HG SER A 57 -7.113 0.948 -1.409 1.00 0.00 H new ATOM 911 N LEU A 58 -6.737 -1.549 -5.295 1.00 0.00 N ATOM 912 CA LEU A 58 -7.152 -1.169 -6.641 1.00 0.00 C ATOM 913 C LEU A 58 -8.377 -1.976 -7.067 1.00 0.00 C ATOM 914 O LEU A 58 -8.716 -2.982 -6.441 1.00 0.00 O ATOM 915 CB LEU A 58 -5.984 -1.390 -7.623 1.00 0.00 C ATOM 916 CG LEU A 58 -6.296 -0.755 -9.011 1.00 0.00 C ATOM 917 CD1 LEU A 58 -5.046 -0.063 -9.579 1.00 0.00 C ATOM 918 CD2 LEU A 58 -6.738 -1.845 -9.994 1.00 0.00 C ATOM 0 H LEU A 58 -7.128 -2.429 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.424 -0.113 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.073 -0.952 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.800 -2.458 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.091 -0.021 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.282 0.375 -10.549 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.722 0.722 -8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.247 -0.795 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.955 -1.395 -10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.940 -2.580 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.633 -2.337 -9.614 1.00 0.00 H new ATOM 930 N VAL A 59 -9.046 -1.525 -8.130 1.00 0.00 N ATOM 931 CA VAL A 59 -10.244 -2.207 -8.633 1.00 0.00 C ATOM 932 C VAL A 59 -10.094 -2.520 -10.121 1.00 0.00 C ATOM 933 O VAL A 59 -9.606 -1.695 -10.893 1.00 0.00 O ATOM 934 CB VAL A 59 -11.474 -1.319 -8.415 1.00 0.00 C ATOM 935 CG1 VAL A 59 -11.210 0.066 -9.005 1.00 0.00 C ATOM 936 CG2 VAL A 59 -12.694 -1.944 -9.100 1.00 0.00 C ATOM 0 H VAL A 59 -8.781 -0.694 -8.659 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.369 -3.143 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.670 -1.230 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -12.084 0.700 -8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.346 0.513 -8.512 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.011 -0.025 -10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -13.565 -1.309 -8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.503 -2.038 -10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.883 -2.931 -8.677 1.00 0.00 H new ATOM 946 N LEU A 60 -10.514 -3.725 -10.511 1.00 0.00 N ATOM 947 CA LEU A 60 -10.428 -4.164 -11.908 1.00 0.00 C ATOM 948 C LEU A 60 -11.734 -4.814 -12.350 1.00 0.00 C ATOM 949 O LEU A 60 -12.461 -5.374 -11.538 1.00 0.00 O ATOM 950 CB LEU A 60 -9.270 -5.161 -12.059 1.00 0.00 C ATOM 951 CG LEU A 60 -7.926 -4.406 -12.088 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.803 -5.306 -11.559 1.00 0.00 C ATOM 953 CD2 LEU A 60 -7.592 -3.986 -13.529 1.00 0.00 C ATOM 0 H LEU A 60 -10.918 -4.416 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.247 -3.294 -12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.280 -5.871 -11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.393 -5.738 -12.976 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.012 -3.521 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.859 -4.762 -11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.025 -5.600 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.726 -6.196 -12.183 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.641 -3.453 -13.542 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.519 -4.873 -14.159 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.378 -3.334 -13.909 1.00 0.00 H new ATOM 965 N ARG A 61 -12.023 -4.736 -13.644 1.00 0.00 N ATOM 966 CA ARG A 61 -13.241 -5.322 -14.183 1.00 0.00 C ATOM 967 C ARG A 61 -13.088 -6.833 -14.329 1.00 0.00 C ATOM 968 O ARG A 61 -11.977 -7.356 -14.331 1.00 0.00 O ATOM 969 CB ARG A 61 -13.558 -4.701 -15.534 1.00 0.00 C ATOM 970 CG ARG A 61 -13.931 -3.236 -15.326 1.00 0.00 C ATOM 971 CD ARG A 61 -14.251 -2.615 -16.675 1.00 0.00 C ATOM 972 NE ARG A 61 -14.561 -1.196 -16.522 1.00 0.00 N ATOM 973 CZ ARG A 61 -13.604 -0.272 -16.543 1.00 0.00 C ATOM 974 NH1 ARG A 61 -12.357 -0.626 -16.701 1.00 0.00 N ATOM 975 NH2 ARG A 61 -13.911 0.987 -16.408 1.00 0.00 N ATOM 0 H ARG A 61 -11.432 -4.274 -14.336 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.060 -5.121 -13.493 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.697 -4.781 -16.197 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.379 -5.235 -16.012 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.791 -3.156 -14.661 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.109 -2.701 -14.850 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.403 -2.738 -17.349 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.097 -3.132 -17.129 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.531 -0.907 -16.396 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.116 -1.611 -16.808 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.624 0.083 -16.717 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.885 1.264 -16.286 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.177 1.695 -16.424 1.00 0.00 H new ATOM 989 N LYS A 62 -14.208 -7.530 -14.452 1.00 0.00 N ATOM 990 CA LYS A 62 -14.179 -8.982 -14.598 1.00 0.00 C ATOM 991 C LYS A 62 -13.362 -9.376 -15.828 1.00 0.00 C ATOM 992 O LYS A 62 -12.605 -10.352 -15.800 1.00 0.00 O ATOM 993 CB LYS A 62 -15.609 -9.517 -14.726 1.00 0.00 C ATOM 994 CG LYS A 62 -16.423 -8.586 -15.629 1.00 0.00 C ATOM 995 CD LYS A 62 -17.745 -9.257 -16.008 1.00 0.00 C ATOM 996 CE LYS A 62 -18.620 -9.421 -14.764 1.00 0.00 C ATOM 997 NZ LYS A 62 -20.024 -9.690 -15.181 1.00 0.00 N ATOM 0 H LYS A 62 -15.142 -7.120 -14.454 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.710 -9.416 -13.715 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.596 -10.525 -15.142 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.073 -9.584 -13.742 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.617 -7.644 -15.116 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.855 -8.348 -16.528 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -18.267 -8.657 -16.754 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.553 -10.230 -16.459 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.248 -10.241 -14.149 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.576 -8.519 -14.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.621 -9.802 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -20.375 -8.894 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -20.057 -10.562 -15.747 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.512 -8.609 -16.902 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.782 -8.884 -18.131 1.00 0.00 C ATOM 1013 C LYS A 63 -11.280 -8.778 -17.892 1.00 0.00 C ATOM 1014 O LYS A 63 -10.501 -9.574 -18.415 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.201 -7.899 -19.222 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.646 -8.169 -19.628 1.00 0.00 C ATOM 1017 CD LYS A 63 -15.055 -7.181 -20.719 1.00 0.00 C ATOM 1018 CE LYS A 63 -16.502 -7.449 -21.117 1.00 0.00 C ATOM 1019 NZ LYS A 63 -16.915 -6.488 -22.177 1.00 0.00 N ATOM 0 H LYS A 63 -14.128 -7.798 -16.946 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.017 -9.898 -18.454 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.099 -6.876 -18.861 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.545 -7.998 -20.087 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.749 -9.192 -19.990 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.304 -8.068 -18.765 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.947 -6.158 -20.359 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.401 -7.285 -21.585 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.607 -8.472 -21.479 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.153 -7.350 -20.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.902 -6.672 -22.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.830 -5.516 -21.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.301 -6.603 -23.009 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.877 -7.789 -17.099 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.463 -7.596 -16.809 1.00 0.00 C ATOM 1035 C ASP A 64 -8.881 -8.836 -16.134 1.00 0.00 C ATOM 1036 O ASP A 64 -7.816 -9.312 -16.517 1.00 0.00 O ATOM 1037 CB ASP A 64 -9.276 -6.385 -15.897 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.539 -5.099 -16.672 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.671 -5.176 -17.882 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.607 -4.056 -16.042 1.00 0.00 O ATOM 0 H ASP A 64 -11.502 -7.118 -16.652 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.939 -7.426 -17.750 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.955 -6.452 -15.047 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.263 -6.376 -15.495 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.592 -9.369 -15.143 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.125 -10.564 -14.444 1.00 0.00 C ATOM 1047 C LEU A 65 -9.024 -11.738 -15.411 1.00 0.00 C ATOM 1048 O LEU A 65 -8.064 -12.508 -15.364 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.085 -10.920 -13.292 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.679 -10.192 -12.005 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.636 -8.683 -12.248 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.691 -10.499 -10.917 1.00 0.00 C ATOM 0 H LEU A 65 -10.482 -8.999 -14.809 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.137 -10.357 -14.032 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.105 -10.647 -13.564 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.077 -11.997 -13.125 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.690 -10.531 -11.697 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.347 -8.174 -11.328 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.909 -8.461 -13.029 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.621 -8.336 -12.560 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.407 -9.984 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.678 -10.161 -11.232 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.716 -11.574 -10.736 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.014 -11.874 -16.286 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.001 -12.969 -17.250 1.00 0.00 C ATOM 1066 C ALA A 66 -8.726 -12.919 -18.086 1.00 0.00 C ATOM 1067 O ALA A 66 -8.006 -13.911 -18.198 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.221 -12.871 -18.167 1.00 0.00 C ATOM 0 H ALA A 66 -10.821 -11.253 -16.349 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.034 -13.914 -16.707 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.204 -13.692 -18.884 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.131 -12.930 -17.570 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.199 -11.922 -18.702 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.445 -11.754 -18.665 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.245 -11.582 -19.481 1.00 0.00 C ATOM 1076 C LEU A 67 -5.983 -11.651 -18.619 1.00 0.00 C ATOM 1077 O LEU A 67 -4.974 -12.225 -19.029 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.298 -10.234 -20.223 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.043 -10.389 -21.552 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.481 -10.835 -21.290 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.047 -9.045 -22.285 1.00 0.00 C ATOM 0 H LEU A 67 -9.027 -10.920 -18.586 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.210 -12.393 -20.209 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.797 -9.489 -19.603 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.286 -9.871 -20.405 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.544 -11.140 -22.164 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.007 -10.944 -22.239 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.476 -11.791 -20.766 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.988 -10.089 -20.678 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.576 -9.149 -23.232 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.547 -8.297 -21.670 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.021 -8.731 -22.475 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.042 -11.052 -17.431 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.887 -11.040 -16.536 1.00 0.00 C ATOM 1095 C LEU A 68 -4.486 -12.466 -16.183 1.00 0.00 C ATOM 1096 O LEU A 68 -5.323 -13.271 -15.773 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.231 -10.269 -15.253 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.950 -9.946 -14.458 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.339 -8.629 -14.961 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.287 -9.799 -12.969 1.00 0.00 C ATOM 0 H LEU A 68 -6.867 -10.574 -17.069 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.054 -10.549 -17.040 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.752 -9.346 -15.505 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.909 -10.860 -14.637 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.237 -10.758 -14.598 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.434 -8.408 -14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.091 -8.723 -16.018 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.058 -7.820 -14.828 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.379 -9.571 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.007 -8.991 -12.837 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.715 -10.731 -12.599 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.203 -12.779 -16.354 1.00 0.00 N ATOM 1113 CA GLU A 69 -2.722 -14.124 -16.057 1.00 0.00 C ATOM 1114 C GLU A 69 -2.608 -14.328 -14.548 1.00 0.00 C ATOM 1115 O GLU A 69 -1.742 -13.744 -13.893 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.359 -14.344 -16.711 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.506 -14.291 -18.232 1.00 0.00 C ATOM 1118 CD GLU A 69 -0.135 -14.424 -18.886 1.00 0.00 C ATOM 1119 OE1 GLU A 69 0.834 -14.568 -18.160 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -0.074 -14.379 -20.104 1.00 0.00 O ATOM 0 H GLU A 69 -2.490 -12.132 -16.691 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.435 -14.845 -16.456 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.656 -13.581 -16.377 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.950 -15.308 -16.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.161 -15.093 -18.572 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.972 -13.352 -18.529 1.00 0.00 H new ATOM 1127 N VAL A 70 -3.491 -15.168 -14.001 1.00 0.00 N ATOM 1128 CA VAL A 70 -3.492 -15.453 -12.564 1.00 0.00 C ATOM 1129 C VAL A 70 -3.595 -16.952 -12.314 1.00 0.00 C ATOM 1130 O VAL A 70 -4.003 -17.709 -13.194 1.00 0.00 O ATOM 1131 CB VAL A 70 -4.672 -14.751 -11.892 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.518 -13.238 -12.034 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -5.977 -15.195 -12.558 1.00 0.00 C ATOM 0 H VAL A 70 -4.211 -15.661 -14.529 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.556 -15.085 -12.143 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.694 -15.015 -10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.360 -12.740 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.590 -12.921 -11.559 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.494 -12.972 -13.091 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.819 -14.695 -12.079 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.953 -14.933 -13.616 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.090 -16.274 -12.454 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.227 -17.375 -11.106 1.00 0.00 N ATOM 1144 CA GLU A 71 -3.290 -18.797 -10.749 1.00 0.00 C ATOM 1145 C GLU A 71 -3.713 -18.961 -9.295 1.00 0.00 C ATOM 1146 O GLU A 71 -3.247 -18.231 -8.420 1.00 0.00 O ATOM 1147 CB GLU A 71 -1.921 -19.452 -10.942 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.066 -20.974 -10.882 1.00 0.00 C ATOM 1149 CD GLU A 71 -0.717 -21.632 -11.148 1.00 0.00 C ATOM 1150 OE1 GLU A 71 0.164 -20.948 -11.643 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -0.584 -22.809 -10.856 1.00 0.00 O ATOM 0 H GLU A 71 -2.886 -16.764 -10.364 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.022 -19.277 -11.398 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.497 -19.155 -11.901 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.232 -19.112 -10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.441 -21.274 -9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.796 -21.308 -11.619 1.00 0.00 H new ATOM 1158 N ALA A 72 -4.583 -19.929 -9.038 1.00 0.00 N ATOM 1159 CA ALA A 72 -5.039 -20.180 -7.679 1.00 0.00 C ATOM 1160 C ALA A 72 -3.925 -20.833 -6.868 1.00 0.00 C ATOM 1161 O ALA A 72 -3.272 -21.767 -7.334 1.00 0.00 O ATOM 1162 CB ALA A 72 -6.262 -21.096 -7.700 1.00 0.00 C ATOM 0 H ALA A 72 -4.983 -20.547 -9.745 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.310 -19.230 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.597 -21.279 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.063 -20.620 -8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.999 -22.043 -8.171 1.00 0.00 H new ATOM 1168 N VAL A 73 -3.709 -20.338 -5.654 1.00 0.00 N ATOM 1169 CA VAL A 73 -2.667 -20.880 -4.786 1.00 0.00 C ATOM 1170 C VAL A 73 -3.225 -22.012 -3.929 1.00 0.00 C ATOM 1171 O VAL A 73 -4.303 -21.887 -3.349 1.00 0.00 O ATOM 1172 CB VAL A 73 -2.118 -19.777 -3.880 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -1.042 -20.356 -2.957 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -1.508 -18.674 -4.745 1.00 0.00 C ATOM 0 H VAL A 73 -4.238 -19.566 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.864 -21.271 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.926 -19.366 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.653 -19.568 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.476 -21.145 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.231 -20.768 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.115 -17.885 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.700 -19.089 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.274 -18.261 -5.401 1.00 0.00 H new