USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 440 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 37 TYR OH : rot -135:sc= 0.885 USER MOD Set 1.2: A 55 MET CE :methyl 165:sc=-0.00438 (180deg=-0.135) USER MOD Single : A 6 LYS NZ :NH3+ 140:sc= 0.767 (180deg=-1.58) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -30:sc= 0.744 USER MOD Single : A 18 SER OG : rot 180:sc= 0.175 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.5!) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0485 (180deg=-0.544) USER MOD Single : A 42 ASN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.68! C(o=-3.7!,f=-12!) USER MOD Single : A 52 TYR OH : rot -33:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 5.983 -0.674 -0.511 1.00 0.00 N ATOM 34 CA ALA A 3 4.828 -1.505 -0.761 1.00 0.00 C ATOM 35 C ALA A 3 4.927 -2.112 -2.147 1.00 0.00 C ATOM 36 O ALA A 3 5.766 -1.749 -2.964 1.00 0.00 O ATOM 37 CB ALA A 3 3.618 -0.602 -0.706 1.00 0.00 C ATOM 0 HA ALA A 3 4.762 -2.309 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.718 -1.188 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.554 -0.139 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.708 0.173 -1.467 1.00 0.00 H new ATOM 43 N ILE A 4 3.980 -3.048 -2.339 1.00 0.00 N ATOM 44 CA ILE A 4 3.948 -3.800 -3.570 1.00 0.00 C ATOM 45 C ILE A 4 2.533 -4.336 -3.802 1.00 0.00 C ATOM 46 O ILE A 4 2.078 -5.219 -3.084 1.00 0.00 O ATOM 47 CB ILE A 4 4.903 -4.997 -3.366 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.365 -4.573 -3.095 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.833 -5.990 -4.544 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.364 -5.720 -3.209 1.00 0.00 C ATOM 0 H ILE A 4 3.251 -3.285 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 4 4.238 -3.184 -4.421 1.00 0.00 H new ATOM 0 HB ILE A 4 4.551 -5.503 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.643 -3.788 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.431 -4.143 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.519 -6.818 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.817 -6.374 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.114 -5.481 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.369 -5.349 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.111 -6.496 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.327 -6.136 -4.216 1.00 0.00 H new ATOM 62 N ALA A 5 1.851 -3.767 -4.821 1.00 0.00 N ATOM 63 CA ALA A 5 0.506 -4.292 -5.068 1.00 0.00 C ATOM 64 C ALA A 5 0.610 -5.737 -5.598 1.00 0.00 C ATOM 65 O ALA A 5 1.185 -5.973 -6.653 1.00 0.00 O ATOM 66 CB ALA A 5 -0.165 -3.431 -6.129 1.00 0.00 C ATOM 0 H ALA A 5 2.175 -3.016 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.072 -4.279 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.168 -3.810 -6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.228 -2.402 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.420 -3.464 -7.048 1.00 0.00 H new ATOM 72 N LYS A 6 -0.035 -6.664 -4.866 1.00 0.00 N ATOM 73 CA LYS A 6 0.017 -8.067 -5.272 1.00 0.00 C ATOM 74 C LYS A 6 -1.188 -8.508 -6.099 1.00 0.00 C ATOM 75 O LYS A 6 -1.114 -9.504 -6.805 1.00 0.00 O ATOM 76 CB LYS A 6 0.126 -8.997 -4.083 1.00 0.00 C ATOM 77 CG LYS A 6 1.328 -8.692 -3.203 1.00 0.00 C ATOM 78 CD LYS A 6 1.954 -9.990 -2.672 1.00 0.00 C ATOM 79 CE LYS A 6 1.316 -10.403 -1.343 1.00 0.00 C ATOM 80 NZ LYS A 6 2.192 -11.195 -0.494 1.00 0.00 N ATOM 0 H LYS A 6 -0.577 -6.472 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 6 0.911 -8.134 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.783 -8.924 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.193 -10.026 -4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.069 -8.131 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.023 -8.061 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.825 -10.787 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.027 -9.852 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.013 -9.507 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.410 -10.973 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.077 -10.898 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.946 -12.201 -0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.180 -11.053 -0.786 1.00 0.00 H new ATOM 94 N TYR A 7 -2.303 -7.764 -5.937 1.00 0.00 N ATOM 95 CA TYR A 7 -3.515 -8.117 -6.705 1.00 0.00 C ATOM 96 C TYR A 7 -4.138 -6.791 -7.149 1.00 0.00 C ATOM 97 O TYR A 7 -3.859 -5.733 -6.601 1.00 0.00 O ATOM 98 CB TYR A 7 -4.586 -8.900 -5.888 1.00 0.00 C ATOM 99 CG TYR A 7 -4.137 -10.229 -5.287 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.254 -10.262 -4.234 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.585 -11.453 -5.762 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.800 -11.447 -3.681 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.177 -12.661 -5.208 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.256 -12.677 -4.164 1.00 0.00 C ATOM 105 OH TYR A 7 -2.857 -13.900 -3.621 1.00 0.00 O ATOM 0 H TYR A 7 -2.391 -6.959 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.217 -8.772 -7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.936 -8.259 -5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.441 -9.089 -6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.901 -9.328 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.276 -11.468 -6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.088 -11.421 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.576 -13.590 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.294 -14.631 -4.106 1.00 0.00 H new ATOM 115 N ASP A 8 -4.996 -6.906 -8.185 1.00 0.00 N ATOM 116 CA ASP A 8 -5.626 -5.700 -8.724 1.00 0.00 C ATOM 117 C ASP A 8 -6.593 -5.108 -7.674 1.00 0.00 C ATOM 118 O ASP A 8 -7.046 -5.819 -6.791 1.00 0.00 O ATOM 119 CB ASP A 8 -6.306 -6.069 -10.043 1.00 0.00 C ATOM 120 CG ASP A 8 -6.863 -4.832 -10.757 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.094 -4.165 -11.447 1.00 0.00 O ATOM 122 OD2 ASP A 8 -8.051 -4.554 -10.609 1.00 0.00 O ATOM 0 H ASP A 8 -5.255 -7.781 -8.642 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.894 -4.920 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.591 -6.574 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.115 -6.774 -9.851 1.00 0.00 H new ATOM 127 N PHE A 9 -6.779 -3.771 -7.726 1.00 0.00 N ATOM 128 CA PHE A 9 -7.736 -3.121 -6.812 1.00 0.00 C ATOM 129 C PHE A 9 -8.423 -1.976 -7.559 1.00 0.00 C ATOM 130 O PHE A 9 -7.809 -1.242 -8.325 1.00 0.00 O ATOM 131 CB PHE A 9 -7.100 -2.685 -5.473 1.00 0.00 C ATOM 132 CG PHE A 9 -8.127 -2.483 -4.365 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.756 -3.605 -3.851 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.536 -1.238 -3.879 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.760 -3.497 -2.916 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.589 -1.129 -2.967 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.213 -2.275 -2.504 1.00 0.00 C ATOM 0 H PHE A 9 -6.297 -3.142 -8.368 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.491 -3.849 -6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.377 -3.438 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.549 -1.757 -5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.452 -4.584 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.029 -0.345 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.197 -4.393 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.914 -0.157 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.049 -2.204 -1.824 1.00 0.00 H new ATOM 147 N LYS A 10 -9.745 -1.908 -7.276 1.00 0.00 N ATOM 148 CA LYS A 10 -10.653 -0.930 -7.839 1.00 0.00 C ATOM 149 C LYS A 10 -11.413 -0.192 -6.687 1.00 0.00 C ATOM 150 O LYS A 10 -12.454 -0.670 -6.246 1.00 0.00 O ATOM 151 CB LYS A 10 -11.644 -1.604 -8.782 1.00 0.00 C ATOM 152 CG LYS A 10 -12.037 -0.689 -9.946 1.00 0.00 C ATOM 153 CD LYS A 10 -13.406 -0.014 -9.781 1.00 0.00 C ATOM 154 CE LYS A 10 -13.834 0.718 -11.061 1.00 0.00 C ATOM 155 NZ LYS A 10 -15.277 0.909 -11.197 1.00 0.00 N ATOM 0 H LYS A 10 -10.202 -2.555 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.079 -0.201 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.206 -2.522 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.537 -1.889 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.275 0.082 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.041 -1.272 -10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.153 -0.764 -9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.366 0.694 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.347 1.693 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.472 0.158 -11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.479 1.410 -12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.750 -0.017 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.630 1.470 -10.396 1.00 0.00 H new ATOM 169 N ALA A 11 -10.918 1.015 -6.283 1.00 0.00 N ATOM 170 CA ALA A 11 -11.539 1.784 -5.171 1.00 0.00 C ATOM 171 C ALA A 11 -13.075 1.849 -5.256 1.00 0.00 C ATOM 172 O ALA A 11 -13.674 1.783 -6.325 1.00 0.00 O ATOM 173 CB ALA A 11 -11.054 3.241 -5.120 1.00 0.00 C ATOM 0 H ALA A 11 -10.106 1.466 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.233 1.236 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.538 3.757 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.973 3.260 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.306 3.741 -6.055 1.00 0.00 H new ATOM 179 N THR A 12 -13.633 1.926 -4.025 1.00 0.00 N ATOM 180 CA THR A 12 -15.077 1.977 -3.841 1.00 0.00 C ATOM 181 C THR A 12 -15.586 3.194 -3.043 1.00 0.00 C ATOM 182 O THR A 12 -16.779 3.299 -2.775 1.00 0.00 O ATOM 183 CB THR A 12 -15.652 0.667 -3.265 1.00 0.00 C ATOM 184 OG1 THR A 12 -17.129 0.618 -3.168 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.887 0.291 -1.983 1.00 0.00 C ATOM 0 H THR A 12 -13.097 1.953 -3.158 1.00 0.00 H new ATOM 0 HA THR A 12 -15.459 2.103 -4.854 1.00 0.00 H new ATOM 0 HB THR A 12 -15.475 -0.126 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 12 -17.477 1.522 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.293 -0.635 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.831 0.153 -2.217 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.994 1.089 -1.248 1.00 0.00 H new ATOM 193 N ALA A 13 -14.651 4.088 -2.653 1.00 0.00 N ATOM 194 CA ALA A 13 -15.080 5.246 -1.867 1.00 0.00 C ATOM 195 C ALA A 13 -14.121 6.411 -2.073 1.00 0.00 C ATOM 196 O ALA A 13 -12.998 6.267 -2.532 1.00 0.00 O ATOM 197 CB ALA A 13 -15.159 4.837 -0.391 1.00 0.00 C ATOM 0 H ALA A 13 -13.653 4.032 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.065 5.577 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.478 5.691 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.878 4.025 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.178 4.503 -0.053 1.00 0.00 H new ATOM 203 N ASP A 14 -14.656 7.570 -1.661 1.00 0.00 N ATOM 204 CA ASP A 14 -13.961 8.841 -1.765 1.00 0.00 C ATOM 205 C ASP A 14 -12.518 8.803 -1.179 1.00 0.00 C ATOM 206 O ASP A 14 -11.590 9.344 -1.765 1.00 0.00 O ATOM 207 CB ASP A 14 -14.882 9.835 -1.044 1.00 0.00 C ATOM 208 CG ASP A 14 -14.352 11.284 -1.074 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.519 11.627 -0.235 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.786 12.054 -1.929 1.00 0.00 O ATOM 0 H ASP A 14 -15.585 7.642 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.789 9.126 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.869 9.806 -1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.005 9.521 -0.007 1.00 0.00 H new ATOM 215 N ASP A 15 -12.375 8.082 -0.042 1.00 0.00 N ATOM 216 CA ASP A 15 -11.070 8.048 0.638 1.00 0.00 C ATOM 217 C ASP A 15 -10.095 6.947 0.192 1.00 0.00 C ATOM 218 O ASP A 15 -8.996 6.861 0.715 1.00 0.00 O ATOM 219 CB ASP A 15 -11.356 7.866 2.133 1.00 0.00 C ATOM 220 CG ASP A 15 -12.031 6.532 2.536 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.167 5.641 1.702 1.00 0.00 O ATOM 222 OD2 ASP A 15 -12.416 6.403 3.693 1.00 0.00 O ATOM 0 H ASP A 15 -13.115 7.540 0.404 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.566 8.980 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.415 7.953 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.992 8.687 2.464 1.00 0.00 H new ATOM 227 N GLU A 16 -10.535 6.150 -0.787 1.00 0.00 N ATOM 228 CA GLU A 16 -9.725 5.046 -1.327 1.00 0.00 C ATOM 229 C GLU A 16 -9.353 5.353 -2.791 1.00 0.00 C ATOM 230 O GLU A 16 -10.079 6.018 -3.516 1.00 0.00 O ATOM 231 CB GLU A 16 -10.546 3.745 -1.327 1.00 0.00 C ATOM 232 CG GLU A 16 -10.488 3.031 0.028 1.00 0.00 C ATOM 233 CD GLU A 16 -11.531 1.908 0.124 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.513 1.007 -0.720 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.352 1.951 1.039 1.00 0.00 O ATOM 0 H GLU A 16 -11.451 6.247 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.833 4.936 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.583 3.971 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.171 3.079 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.491 2.616 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.656 3.753 0.827 1.00 0.00 H new ATOM 242 N LEU A 17 -8.209 4.763 -3.189 1.00 0.00 N ATOM 243 CA LEU A 17 -7.714 4.921 -4.580 1.00 0.00 C ATOM 244 C LEU A 17 -7.218 3.571 -5.142 1.00 0.00 C ATOM 245 O LEU A 17 -6.904 2.644 -4.407 1.00 0.00 O ATOM 246 CB LEU A 17 -6.727 6.102 -4.696 1.00 0.00 C ATOM 247 CG LEU A 17 -5.251 5.761 -4.417 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.452 5.507 -5.690 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.536 6.868 -3.647 1.00 0.00 C ATOM 0 H LEU A 17 -7.620 4.186 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.539 5.204 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.802 6.519 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.039 6.883 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.291 4.850 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.420 5.272 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.890 4.670 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.474 6.398 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.499 6.580 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.565 7.791 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.033 7.024 -2.689 1.00 0.00 H new ATOM 261 N SER A 18 -7.186 3.529 -6.491 1.00 0.00 N ATOM 262 CA SER A 18 -6.799 2.321 -7.219 1.00 0.00 C ATOM 263 C SER A 18 -5.310 2.088 -7.425 1.00 0.00 C ATOM 264 O SER A 18 -4.449 2.909 -7.155 1.00 0.00 O ATOM 265 CB SER A 18 -7.553 2.393 -8.580 1.00 0.00 C ATOM 266 OG SER A 18 -9.004 2.025 -8.416 1.00 0.00 O ATOM 0 H SER A 18 -7.424 4.320 -7.089 1.00 0.00 H new ATOM 0 HA SER A 18 -7.074 1.462 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.474 3.400 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.082 1.719 -9.296 1.00 0.00 H new ATOM 0 HG SER A 18 -9.455 2.080 -9.284 1.00 0.00 H new ATOM 272 N PHE A 19 -5.122 0.844 -7.928 1.00 0.00 N ATOM 273 CA PHE A 19 -3.815 0.309 -8.312 1.00 0.00 C ATOM 274 C PHE A 19 -3.998 -0.926 -9.193 1.00 0.00 C ATOM 275 O PHE A 19 -5.105 -1.396 -9.426 1.00 0.00 O ATOM 276 CB PHE A 19 -2.899 -0.020 -7.132 1.00 0.00 C ATOM 277 CG PHE A 19 -3.505 -0.828 -5.987 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.213 -0.196 -4.982 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.336 -2.201 -5.865 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.708 -0.888 -3.896 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.798 -2.893 -4.758 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.489 -2.239 -3.772 1.00 0.00 C ATOM 0 H PHE A 19 -5.887 0.186 -8.076 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.315 1.104 -8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.038 -0.568 -7.514 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.524 0.918 -6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.383 0.868 -5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.832 -2.742 -6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.272 -0.364 -3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.613 -3.953 -4.671 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.856 -2.777 -2.910 1.00 0.00 H new ATOM 292 N LYS A 20 -2.836 -1.346 -9.747 1.00 0.00 N ATOM 293 CA LYS A 20 -2.826 -2.514 -10.619 1.00 0.00 C ATOM 294 C LYS A 20 -1.648 -3.433 -10.275 1.00 0.00 C ATOM 295 O LYS A 20 -0.499 -3.067 -10.469 1.00 0.00 O ATOM 296 CB LYS A 20 -2.522 -2.022 -12.040 1.00 0.00 C ATOM 297 CG LYS A 20 -3.587 -1.106 -12.651 1.00 0.00 C ATOM 298 CD LYS A 20 -2.962 -0.118 -13.649 1.00 0.00 C ATOM 299 CE LYS A 20 -2.591 1.209 -12.965 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.413 1.875 -13.512 1.00 0.00 N ATOM 0 H LYS A 20 -1.929 -0.902 -9.605 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.779 -3.033 -10.516 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.571 -1.490 -12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.395 -2.889 -12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.343 -1.708 -13.156 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.095 -0.555 -11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.071 -0.562 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.663 0.073 -14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.441 1.888 -13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.424 1.020 -11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.240 2.758 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.587 1.250 -13.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.572 2.092 -14.517 1.00 0.00 H new ATOM 314 N ARG A 21 -2.024 -4.664 -9.866 1.00 0.00 N ATOM 315 CA ARG A 21 -1.121 -5.780 -9.503 1.00 0.00 C ATOM 316 C ARG A 21 0.373 -5.642 -9.925 1.00 0.00 C ATOM 317 O ARG A 21 0.881 -6.300 -10.823 1.00 0.00 O ATOM 318 CB ARG A 21 -1.679 -7.058 -10.102 1.00 0.00 C ATOM 319 CG ARG A 21 -1.761 -6.855 -11.607 1.00 0.00 C ATOM 320 CD ARG A 21 -1.152 -8.019 -12.395 1.00 0.00 C ATOM 321 NE ARG A 21 -2.090 -9.144 -12.440 1.00 0.00 N ATOM 322 CZ ARG A 21 -1.773 -10.331 -13.007 1.00 0.00 C ATOM 323 NH1 ARG A 21 -0.819 -10.436 -13.926 1.00 0.00 N ATOM 324 NH2 ARG A 21 -2.445 -11.421 -12.663 1.00 0.00 N ATOM 0 H ARG A 21 -3.007 -4.919 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.098 -5.780 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.037 -7.906 -9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.664 -7.277 -9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.805 -6.732 -11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.246 -5.932 -11.874 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.911 -7.696 -13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.218 -8.333 -11.930 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.016 -9.028 -12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.303 -9.608 -14.222 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.603 -11.345 -14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.196 -11.361 -11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.211 -12.319 -13.086 1.00 0.00 H new ATOM 338 N GLY A 22 1.019 -4.779 -9.167 1.00 0.00 N ATOM 339 CA GLY A 22 2.430 -4.472 -9.345 1.00 0.00 C ATOM 340 C GLY A 22 2.869 -3.058 -8.933 1.00 0.00 C ATOM 341 O GLY A 22 4.061 -2.838 -8.759 1.00 0.00 O ATOM 0 H GLY A 22 0.579 -4.265 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.013 -5.193 -8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.684 -4.618 -10.395 1.00 0.00 H new ATOM 345 N ASP A 23 1.902 -2.117 -8.777 1.00 0.00 N ATOM 346 CA ASP A 23 2.277 -0.741 -8.415 1.00 0.00 C ATOM 347 C ASP A 23 3.214 -0.647 -7.192 1.00 0.00 C ATOM 348 O ASP A 23 3.166 -1.461 -6.277 1.00 0.00 O ATOM 349 CB ASP A 23 1.036 0.144 -8.203 1.00 0.00 C ATOM 350 CG ASP A 23 0.472 0.597 -9.575 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.046 -0.254 -10.352 1.00 0.00 O ATOM 352 OD2 ASP A 23 0.477 1.791 -9.871 1.00 0.00 O ATOM 0 H ASP A 23 0.902 -2.282 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 23 2.844 -0.368 -9.268 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.275 -0.408 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.298 1.015 -7.602 1.00 0.00 H new ATOM 357 N ILE A 24 4.027 0.437 -7.200 1.00 0.00 N ATOM 358 CA ILE A 24 4.929 0.740 -6.131 1.00 0.00 C ATOM 359 C ILE A 24 4.232 1.801 -5.258 1.00 0.00 C ATOM 360 O ILE A 24 4.121 2.958 -5.641 1.00 0.00 O ATOM 361 CB ILE A 24 6.214 1.231 -6.822 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.127 2.633 -7.474 1.00 0.00 C ATOM 363 CG2 ILE A 24 6.782 0.176 -7.784 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.234 2.947 -8.488 1.00 0.00 C ATOM 0 H ILE A 24 4.054 1.111 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 24 5.188 -0.091 -5.474 1.00 0.00 H new ATOM 0 HB ILE A 24 6.924 1.368 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.162 2.726 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.153 3.386 -6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.688 0.561 -8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.017 -0.733 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.044 -0.049 -8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.087 3.950 -8.889 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.205 2.892 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.198 2.222 -9.301 1.00 0.00 H new ATOM 376 N LEU A 25 3.802 1.373 -4.051 1.00 0.00 N ATOM 377 CA LEU A 25 3.078 2.356 -3.226 1.00 0.00 C ATOM 378 C LEU A 25 3.964 2.871 -2.093 1.00 0.00 C ATOM 379 O LEU A 25 4.957 2.268 -1.700 1.00 0.00 O ATOM 380 CB LEU A 25 1.815 1.741 -2.596 1.00 0.00 C ATOM 381 CG LEU A 25 0.722 1.451 -3.637 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.650 -0.039 -4.000 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.646 1.970 -3.172 1.00 0.00 C ATOM 0 H LEU A 25 3.928 0.441 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 25 2.797 3.174 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.081 0.816 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.422 2.421 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 25 0.998 1.991 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.136 -0.196 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.606 -0.359 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.429 -0.621 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.396 1.749 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.921 1.483 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.593 3.048 -3.018 1.00 0.00 H new ATOM 395 N LYS A 26 3.536 4.068 -1.655 1.00 0.00 N ATOM 396 CA LYS A 26 4.193 4.730 -0.539 1.00 0.00 C ATOM 397 C LYS A 26 3.295 4.594 0.685 1.00 0.00 C ATOM 398 O LYS A 26 2.315 5.310 0.773 1.00 0.00 O ATOM 399 CB LYS A 26 4.407 6.216 -0.838 1.00 0.00 C ATOM 400 CG LYS A 26 5.675 6.537 -1.641 1.00 0.00 C ATOM 401 CD LYS A 26 6.387 7.779 -1.085 1.00 0.00 C ATOM 402 CE LYS A 26 7.300 7.409 0.093 1.00 0.00 C ATOM 403 NZ LYS A 26 8.610 8.050 0.072 1.00 0.00 N ATOM 0 H LYS A 26 2.751 4.581 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 26 5.166 4.270 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.543 6.589 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.445 6.760 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.352 5.683 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.414 6.702 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.976 8.248 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.648 8.512 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.796 7.673 1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.439 6.328 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.159 7.745 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.115 7.780 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.491 9.083 0.096 1.00 0.00 H new ATOM 417 N VAL A 27 3.667 3.729 1.658 1.00 0.00 N ATOM 418 CA VAL A 27 2.749 3.643 2.805 1.00 0.00 C ATOM 419 C VAL A 27 3.176 4.757 3.778 1.00 0.00 C ATOM 420 O VAL A 27 4.217 4.697 4.415 1.00 0.00 O ATOM 421 CB VAL A 27 2.823 2.265 3.478 1.00 0.00 C ATOM 422 CG1 VAL A 27 1.881 2.189 4.693 1.00 0.00 C ATOM 423 CG2 VAL A 27 2.503 1.168 2.452 1.00 0.00 C ATOM 0 H VAL A 27 4.501 3.143 1.678 1.00 0.00 H new ATOM 0 HA VAL A 27 1.714 3.769 2.488 1.00 0.00 H new ATOM 0 HB VAL A 27 3.836 2.109 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.955 1.202 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.165 2.948 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.855 2.363 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.557 0.192 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.499 1.322 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.225 1.210 1.637 1.00 0.00 H new ATOM 433 N LEU A 28 2.264 5.752 3.861 1.00 0.00 N ATOM 434 CA LEU A 28 2.539 6.927 4.677 1.00 0.00 C ATOM 435 C LEU A 28 1.935 6.858 6.090 1.00 0.00 C ATOM 436 O LEU A 28 2.369 7.618 6.952 1.00 0.00 O ATOM 437 CB LEU A 28 1.985 8.145 3.896 1.00 0.00 C ATOM 438 CG LEU A 28 2.338 9.524 4.502 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.444 9.918 5.694 1.00 0.00 C ATOM 440 CD2 LEU A 28 3.832 9.641 4.849 1.00 0.00 C ATOM 0 H LEU A 28 1.362 5.756 3.384 1.00 0.00 H new ATOM 0 HA LEU A 28 3.614 7.002 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.364 8.106 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.900 8.057 3.837 1.00 0.00 H new ATOM 0 HG LEU A 28 2.127 10.249 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.748 10.895 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.404 9.960 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.547 9.177 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.031 10.626 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.098 8.874 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.427 9.506 3.946 1.00 0.00 H new ATOM 536 N ASN A 35 -6.287 -3.438 8.777 1.00 0.00 N ATOM 537 CA ASN A 35 -6.601 -4.094 7.518 1.00 0.00 C ATOM 538 C ASN A 35 -6.389 -3.158 6.285 1.00 0.00 C ATOM 539 O ASN A 35 -6.615 -3.602 5.168 1.00 0.00 O ATOM 540 CB ASN A 35 -8.063 -4.535 7.537 1.00 0.00 C ATOM 541 CG ASN A 35 -8.191 -5.976 8.072 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.256 -6.758 8.071 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.415 -6.258 8.534 1.00 0.00 N ATOM 0 HA ASN A 35 -5.925 -4.943 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.644 -3.857 8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.479 -4.477 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.615 -7.181 8.919 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.148 -5.550 8.501 1.00 0.00 H new ATOM 550 N TRP A 36 -5.974 -1.895 6.508 1.00 0.00 N ATOM 551 CA TRP A 36 -5.745 -0.943 5.408 1.00 0.00 C ATOM 552 C TRP A 36 -4.411 -0.186 5.642 1.00 0.00 C ATOM 553 O TRP A 36 -3.767 -0.298 6.677 1.00 0.00 O ATOM 554 CB TRP A 36 -6.956 0.035 5.265 1.00 0.00 C ATOM 555 CG TRP A 36 -8.238 -0.710 4.874 1.00 0.00 C ATOM 556 CD1 TRP A 36 -8.979 -1.509 5.754 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.859 -0.858 3.563 1.00 0.00 C ATOM 558 NE1 TRP A 36 -9.960 -2.121 5.059 1.00 0.00 N ATOM 559 CE2 TRP A 36 -9.925 -1.760 3.720 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.639 -0.320 2.319 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.692 -2.117 2.652 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.417 -0.684 1.222 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.452 -1.585 1.389 1.00 0.00 C ATOM 0 H TRP A 36 -5.792 -1.514 7.436 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.663 -1.488 4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.113 0.561 6.206 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.729 0.790 4.512 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.796 -1.617 6.813 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.639 -2.765 5.465 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.846 0.401 2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.498 -2.823 2.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.213 -0.265 0.248 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.067 -1.873 0.549 1.00 0.00 H new ATOM 574 N TYR A 37 -4.018 0.537 4.579 1.00 0.00 N ATOM 575 CA TYR A 37 -2.827 1.389 4.570 1.00 0.00 C ATOM 576 C TYR A 37 -3.219 2.690 3.848 1.00 0.00 C ATOM 577 O TYR A 37 -3.944 2.667 2.867 1.00 0.00 O ATOM 578 CB TYR A 37 -1.633 0.763 3.800 1.00 0.00 C ATOM 579 CG TYR A 37 -1.053 -0.468 4.444 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.724 -0.419 5.767 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.866 -1.656 3.768 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.288 -1.502 6.458 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.387 -2.770 4.437 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.105 -2.713 5.778 1.00 0.00 C ATOM 585 OH TYR A 37 0.320 -3.891 6.318 1.00 0.00 O ATOM 0 H TYR A 37 -4.527 0.543 3.695 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.506 1.539 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.960 0.511 2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.847 1.512 3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.815 0.523 6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.094 -1.717 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.085 -1.432 7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.234 -3.693 3.897 1.00 0.00 H new ATOM 0 HH TYR A 37 0.999 -4.292 5.736 1.00 0.00 H new ATOM 595 N LYS A 38 -2.725 3.826 4.394 1.00 0.00 N ATOM 596 CA LYS A 38 -2.973 5.117 3.754 1.00 0.00 C ATOM 597 C LYS A 38 -1.659 5.308 3.001 1.00 0.00 C ATOM 598 O LYS A 38 -0.605 5.431 3.621 1.00 0.00 O ATOM 599 CB LYS A 38 -3.240 6.236 4.771 1.00 0.00 C ATOM 600 CG LYS A 38 -3.560 7.572 4.076 1.00 0.00 C ATOM 601 CD LYS A 38 -4.903 8.165 4.506 1.00 0.00 C ATOM 602 CE LYS A 38 -4.797 8.913 5.837 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.684 8.000 6.969 1.00 0.00 N ATOM 0 H LYS A 38 -2.171 3.866 5.249 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.862 5.147 3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.073 5.952 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.368 6.360 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.767 8.287 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.565 7.421 2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.263 8.846 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.640 7.367 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.929 9.572 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.675 9.546 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.967 8.491 7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.305 7.179 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.699 7.677 7.058 1.00 0.00 H new ATOM 617 N ALA A 39 -1.773 5.323 1.661 1.00 0.00 N ATOM 618 CA ALA A 39 -0.562 5.357 0.850 1.00 0.00 C ATOM 619 C ALA A 39 -0.668 6.277 -0.356 1.00 0.00 C ATOM 620 O ALA A 39 -1.713 6.861 -0.595 1.00 0.00 O ATOM 621 CB ALA A 39 -0.356 3.915 0.379 1.00 0.00 C ATOM 0 H ALA A 39 -2.652 5.313 1.143 1.00 0.00 H new ATOM 0 HA ALA A 39 0.267 5.747 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.540 3.859 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.241 3.262 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.220 3.596 -0.204 1.00 0.00 H new ATOM 627 N GLU A 40 0.476 6.390 -1.086 1.00 0.00 N ATOM 628 CA GLU A 40 0.476 7.261 -2.262 1.00 0.00 C ATOM 629 C GLU A 40 0.806 6.469 -3.538 1.00 0.00 C ATOM 630 O GLU A 40 1.595 5.519 -3.531 1.00 0.00 O ATOM 631 CB GLU A 40 1.530 8.370 -2.054 1.00 0.00 C ATOM 632 CG GLU A 40 1.243 9.688 -2.808 1.00 0.00 C ATOM 633 CD GLU A 40 2.520 10.487 -3.148 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.606 10.122 -2.693 1.00 0.00 O ATOM 635 OE2 GLU A 40 2.412 11.468 -3.881 1.00 0.00 O ATOM 0 H GLU A 40 1.355 5.913 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.517 7.695 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.603 8.586 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.502 7.992 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.708 9.462 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.584 10.310 -2.201 1.00 0.00 H new ATOM 642 N LEU A 41 0.174 7.002 -4.599 1.00 0.00 N ATOM 643 CA LEU A 41 0.260 6.527 -5.969 1.00 0.00 C ATOM 644 C LEU A 41 -0.195 7.566 -6.953 1.00 0.00 C ATOM 645 O LEU A 41 -1.189 8.265 -6.739 1.00 0.00 O ATOM 646 CB LEU A 41 -0.775 5.430 -6.263 1.00 0.00 C ATOM 647 CG LEU A 41 -0.268 4.039 -5.979 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.487 3.123 -5.865 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.598 3.617 -7.166 1.00 0.00 C ATOM 0 H LEU A 41 -0.437 7.814 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 41 1.301 6.220 -6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.668 5.613 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.074 5.493 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 41 0.317 3.990 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.159 2.104 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.127 3.469 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.045 3.142 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.984 2.612 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.002 3.626 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.431 4.312 -7.274 1.00 0.00 H new ATOM 661 N ASN A 42 0.579 7.628 -8.055 1.00 0.00 N ATOM 662 CA ASN A 42 0.053 8.430 -9.152 1.00 0.00 C ATOM 663 C ASN A 42 -0.304 9.904 -8.821 1.00 0.00 C ATOM 664 O ASN A 42 -1.226 10.450 -9.413 1.00 0.00 O ATOM 665 CB ASN A 42 -1.169 7.600 -9.655 1.00 0.00 C ATOM 666 CG ASN A 42 -1.116 7.351 -11.156 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.453 8.188 -11.981 1.00 0.00 O ATOM 668 ND2 ASN A 42 -0.637 6.127 -11.418 1.00 0.00 N ATOM 0 H ASN A 42 1.483 7.177 -8.197 1.00 0.00 H new ATOM 0 HA ASN A 42 0.821 8.586 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.198 6.645 -9.131 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.091 8.127 -9.408 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.525 5.819 -12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.384 5.503 -10.651 1.00 0.00 H new ATOM 675 N GLY A 43 0.402 10.505 -7.833 1.00 0.00 N ATOM 676 CA GLY A 43 0.093 11.901 -7.495 1.00 0.00 C ATOM 677 C GLY A 43 -1.147 12.096 -6.592 1.00 0.00 C ATOM 678 O GLY A 43 -1.627 13.209 -6.424 1.00 0.00 O ATOM 0 H GLY A 43 1.146 10.070 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.958 12.339 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.058 12.458 -8.420 1.00 0.00 H new ATOM 682 N LYS A 44 -1.650 10.968 -6.050 1.00 0.00 N ATOM 683 CA LYS A 44 -2.815 10.918 -5.177 1.00 0.00 C ATOM 684 C LYS A 44 -2.487 9.987 -4.005 1.00 0.00 C ATOM 685 O LYS A 44 -1.568 9.192 -4.073 1.00 0.00 O ATOM 686 CB LYS A 44 -4.035 10.411 -5.963 1.00 0.00 C ATOM 687 CG LYS A 44 -4.450 11.371 -7.091 1.00 0.00 C ATOM 688 CD LYS A 44 -5.929 11.214 -7.486 1.00 0.00 C ATOM 689 CE LYS A 44 -6.272 11.748 -8.885 1.00 0.00 C ATOM 690 NZ LYS A 44 -5.799 10.881 -9.961 1.00 0.00 N ATOM 0 H LYS A 44 -1.239 10.050 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.057 11.911 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.809 9.433 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.873 10.275 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.269 12.398 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.823 11.192 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.195 10.158 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.546 11.732 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.353 11.864 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.835 12.739 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.060 11.294 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.765 10.790 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.235 9.942 -9.867 1.00 0.00 H new ATOM 704 N ASP A 45 -3.298 10.110 -2.950 1.00 0.00 N ATOM 705 CA ASP A 45 -3.094 9.304 -1.752 1.00 0.00 C ATOM 706 C ASP A 45 -4.472 8.888 -1.205 1.00 0.00 C ATOM 707 O ASP A 45 -5.425 9.657 -1.219 1.00 0.00 O ATOM 708 CB ASP A 45 -2.252 10.085 -0.717 1.00 0.00 C ATOM 709 CG ASP A 45 -3.028 11.234 -0.040 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.559 12.092 -0.745 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.101 11.249 1.188 1.00 0.00 O ATOM 0 H ASP A 45 -4.090 10.751 -2.904 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.531 8.400 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.898 9.394 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.370 10.493 -1.210 1.00 0.00 H new ATOM 716 N GLY A 46 -4.526 7.620 -0.754 1.00 0.00 N ATOM 717 CA GLY A 46 -5.805 7.110 -0.256 1.00 0.00 C ATOM 718 C GLY A 46 -5.618 5.752 0.409 1.00 0.00 C ATOM 719 O GLY A 46 -4.537 5.179 0.371 1.00 0.00 O ATOM 0 H GLY A 46 -3.744 6.966 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.231 7.815 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.514 7.023 -1.080 1.00 0.00 H new ATOM 723 N PHE A 47 -6.736 5.238 0.975 1.00 0.00 N ATOM 724 CA PHE A 47 -6.672 3.949 1.646 1.00 0.00 C ATOM 725 C PHE A 47 -6.655 2.797 0.616 1.00 0.00 C ATOM 726 O PHE A 47 -7.252 2.860 -0.454 1.00 0.00 O ATOM 727 CB PHE A 47 -7.879 3.781 2.588 1.00 0.00 C ATOM 728 CG PHE A 47 -7.873 4.726 3.782 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.047 4.533 4.874 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.691 5.833 3.813 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.018 5.424 5.932 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.659 6.736 4.849 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.829 6.532 5.924 1.00 0.00 C ATOM 0 H PHE A 47 -7.652 5.687 0.975 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.751 3.913 2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.795 3.938 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.902 2.754 2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.407 3.663 4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.380 5.997 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.356 5.248 6.767 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.291 7.611 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.814 7.230 6.748 1.00 0.00 H new ATOM 743 N ILE A 48 -5.886 1.760 1.016 1.00 0.00 N ATOM 744 CA ILE A 48 -5.707 0.538 0.231 1.00 0.00 C ATOM 745 C ILE A 48 -5.606 -0.643 1.214 1.00 0.00 C ATOM 746 O ILE A 48 -4.898 -0.536 2.200 1.00 0.00 O ATOM 747 CB ILE A 48 -4.450 0.683 -0.644 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.198 1.094 0.161 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.712 1.706 -1.760 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.968 0.250 -0.172 1.00 0.00 C ATOM 0 H ILE A 48 -5.374 1.756 1.898 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.548 0.358 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.243 -0.299 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.975 2.143 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.413 1.007 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.820 1.807 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.544 1.367 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.958 2.672 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.122 0.588 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.174 -0.797 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.729 0.356 -1.230 1.00 0.00 H new ATOM 762 N PRO A 49 -6.229 -1.822 0.930 1.00 0.00 N ATOM 763 CA PRO A 49 -6.177 -2.904 1.911 1.00 0.00 C ATOM 764 C PRO A 49 -4.813 -3.570 2.034 1.00 0.00 C ATOM 765 O PRO A 49 -4.122 -3.755 1.042 1.00 0.00 O ATOM 766 CB PRO A 49 -7.200 -3.929 1.455 1.00 0.00 C ATOM 767 CG PRO A 49 -7.623 -3.531 0.047 1.00 0.00 C ATOM 768 CD PRO A 49 -6.907 -2.228 -0.311 1.00 0.00 C ATOM 0 HA PRO A 49 -6.384 -2.492 2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.772 -4.932 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.058 -3.944 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.365 -4.315 -0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.704 -3.398 -0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.194 -2.378 -1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.613 -1.467 -0.644 1.00 0.00 H new ATOM 776 N LYS A 50 -4.529 -4.043 3.273 1.00 0.00 N ATOM 777 CA LYS A 50 -3.209 -4.653 3.417 1.00 0.00 C ATOM 778 C LYS A 50 -3.125 -5.998 2.664 1.00 0.00 C ATOM 779 O LYS A 50 -2.143 -6.244 1.983 1.00 0.00 O ATOM 780 CB LYS A 50 -2.822 -4.833 4.884 1.00 0.00 C ATOM 781 CG LYS A 50 -3.838 -5.656 5.647 1.00 0.00 C ATOM 782 CD LYS A 50 -3.600 -5.665 7.154 1.00 0.00 C ATOM 783 CE LYS A 50 -2.210 -6.145 7.530 1.00 0.00 C ATOM 784 NZ LYS A 50 -1.992 -6.056 8.964 1.00 0.00 N ATOM 0 H LYS A 50 -5.129 -4.017 4.097 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.493 -3.965 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.847 -5.316 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.722 -3.855 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.836 -5.266 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.816 -6.681 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.750 -4.659 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.342 -6.307 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.078 -7.176 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.463 -5.547 7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.034 -6.391 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.095 -5.067 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.691 -6.646 9.459 1.00 0.00 H new ATOM 798 N ASN A 51 -4.198 -6.811 2.762 1.00 0.00 N ATOM 799 CA ASN A 51 -4.247 -8.125 2.101 1.00 0.00 C ATOM 800 C ASN A 51 -4.046 -8.111 0.564 1.00 0.00 C ATOM 801 O ASN A 51 -3.643 -9.126 0.010 1.00 0.00 O ATOM 802 CB ASN A 51 -5.510 -8.897 2.506 1.00 0.00 C ATOM 803 CG ASN A 51 -6.752 -8.044 2.265 1.00 0.00 C ATOM 804 OD1 ASN A 51 -6.868 -6.938 2.771 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.678 -8.623 1.497 1.00 0.00 N ATOM 0 H ASN A 51 -5.038 -6.578 3.292 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.370 -8.655 2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.579 -9.822 1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.452 -9.177 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.553 -8.137 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.511 -9.551 1.108 1.00 0.00 H new ATOM 812 N TYR A 52 -4.231 -6.935 -0.084 1.00 0.00 N ATOM 813 CA TYR A 52 -4.039 -6.847 -1.542 1.00 0.00 C ATOM 814 C TYR A 52 -2.596 -6.445 -1.927 1.00 0.00 C ATOM 815 O TYR A 52 -2.256 -6.450 -3.103 1.00 0.00 O ATOM 816 CB TYR A 52 -5.057 -5.894 -2.154 1.00 0.00 C ATOM 817 CG TYR A 52 -6.324 -6.627 -2.528 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.102 -7.286 -1.593 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.810 -6.631 -3.819 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.295 -7.931 -1.926 1.00 0.00 C ATOM 821 CE2 TYR A 52 -8.012 -7.250 -4.147 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.817 -7.885 -3.222 1.00 0.00 C ATOM 823 OH TYR A 52 -10.116 -8.285 -3.616 1.00 0.00 O ATOM 0 H TYR A 52 -4.504 -6.062 0.368 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.201 -7.844 -1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.288 -5.098 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.632 -5.420 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.774 -7.302 -0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.242 -6.141 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.828 -8.479 -1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.332 -7.233 -5.178 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.410 -9.037 -3.060 1.00 0.00 H new ATOM 833 N ILE A 53 -1.788 -6.079 -0.905 1.00 0.00 N ATOM 834 CA ILE A 53 -0.393 -5.675 -1.132 1.00 0.00 C ATOM 835 C ILE A 53 0.522 -6.471 -0.161 1.00 0.00 C ATOM 836 O ILE A 53 0.069 -7.177 0.730 1.00 0.00 O ATOM 837 CB ILE A 53 -0.229 -4.114 -1.056 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.984 -3.621 -0.231 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.500 -3.342 -0.668 1.00 0.00 C ATOM 840 CD1 ILE A 53 0.974 -2.153 0.111 1.00 0.00 C ATOM 0 H ILE A 53 -2.080 -6.057 0.072 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.080 -5.927 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.020 -3.870 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.029 -4.193 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.895 -3.842 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.284 -2.274 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.282 -3.537 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.837 -3.667 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.865 -1.908 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.964 -1.566 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.085 -1.922 0.699 1.00 0.00 H new ATOM 852 N GLU A 54 1.838 -6.287 -0.394 1.00 0.00 N ATOM 853 CA GLU A 54 2.875 -6.880 0.434 1.00 0.00 C ATOM 854 C GLU A 54 3.804 -5.714 0.791 1.00 0.00 C ATOM 855 O GLU A 54 4.158 -4.886 -0.038 1.00 0.00 O ATOM 856 CB GLU A 54 3.693 -7.894 -0.381 1.00 0.00 C ATOM 857 CG GLU A 54 4.440 -8.926 0.481 1.00 0.00 C ATOM 858 CD GLU A 54 5.307 -9.824 -0.418 1.00 0.00 C ATOM 859 OE1 GLU A 54 6.239 -9.308 -1.035 1.00 0.00 O ATOM 860 OE2 GLU A 54 5.038 -11.021 -0.504 1.00 0.00 O ATOM 0 H GLU A 54 2.197 -5.722 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 54 2.451 -7.388 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.026 -8.420 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.416 -7.355 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.066 -8.417 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.726 -9.533 1.038 1.00 0.00 H new ATOM 867 N MET A 55 4.100 -5.646 2.093 1.00 0.00 N ATOM 868 CA MET A 55 5.007 -4.615 2.572 1.00 0.00 C ATOM 869 C MET A 55 6.448 -5.081 2.468 1.00 0.00 C ATOM 870 O MET A 55 6.753 -6.240 2.218 1.00 0.00 O ATOM 871 CB MET A 55 4.736 -4.251 4.020 1.00 0.00 C ATOM 872 CG MET A 55 3.257 -4.166 4.339 1.00 0.00 C ATOM 873 SD MET A 55 2.578 -5.765 4.914 1.00 0.00 S ATOM 874 CE MET A 55 3.291 -5.894 6.583 1.00 0.00 C ATOM 0 H MET A 55 3.735 -6.274 2.809 1.00 0.00 H new ATOM 0 HA MET A 55 4.841 -3.739 1.944 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.201 -4.993 4.669 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.206 -3.293 4.243 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.096 -3.408 5.106 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.714 -3.841 3.451 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.764 -6.665 7.145 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.346 -6.156 6.509 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.190 -4.938 7.097 1.00 0.00 H new ATOM 943 N PRO B 2 -8.297 -12.941 -6.371 1.00 0.00 N ATOM 944 CA PRO B 2 -7.914 -12.201 -5.193 1.00 0.00 C ATOM 945 C PRO B 2 -8.842 -12.383 -3.929 1.00 0.00 C ATOM 946 O PRO B 2 -10.010 -12.762 -4.008 1.00 0.00 O ATOM 947 CB PRO B 2 -7.721 -10.759 -5.693 1.00 0.00 C ATOM 948 CG PRO B 2 -8.007 -10.684 -7.174 1.00 0.00 C ATOM 949 CD PRO B 2 -8.400 -12.104 -7.581 1.00 0.00 C ATOM 0 HA PRO B 2 -6.993 -12.592 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.385 -10.085 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.701 -10.430 -5.494 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.810 -9.978 -7.384 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.131 -10.344 -7.727 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.414 -12.125 -7.979 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.742 -12.477 -8.366 1.00 0.00 H new ATOM 957 N PRO B 3 -8.217 -12.099 -2.745 1.00 0.00 N ATOM 958 CA PRO B 3 -8.882 -12.176 -1.434 1.00 0.00 C ATOM 959 C PRO B 3 -10.139 -11.298 -1.194 1.00 0.00 C ATOM 960 O PRO B 3 -10.347 -10.281 -1.839 1.00 0.00 O ATOM 961 CB PRO B 3 -7.809 -11.633 -0.462 1.00 0.00 C ATOM 962 CG PRO B 3 -6.455 -11.741 -1.151 1.00 0.00 C ATOM 963 CD PRO B 3 -6.763 -11.847 -2.641 1.00 0.00 C ATOM 0 HA PRO B 3 -9.237 -13.200 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -8.022 -10.597 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.811 -12.204 0.466 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.836 -10.869 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.905 -12.615 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.489 -10.929 -3.161 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.194 -12.656 -3.100 1.00 0.00 H new ATOM 971 N PRO B 4 -10.931 -11.698 -0.150 1.00 0.00 N ATOM 972 CA PRO B 4 -12.091 -10.915 0.293 1.00 0.00 C ATOM 973 C PRO B 4 -11.511 -9.674 0.972 1.00 0.00 C ATOM 974 O PRO B 4 -10.816 -9.766 1.978 1.00 0.00 O ATOM 975 CB PRO B 4 -12.777 -11.776 1.373 1.00 0.00 C ATOM 976 CG PRO B 4 -11.810 -12.923 1.701 1.00 0.00 C ATOM 977 CD PRO B 4 -10.703 -12.902 0.643 1.00 0.00 C ATOM 0 HA PRO B 4 -12.780 -10.649 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -12.991 -11.183 2.263 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.729 -12.164 1.012 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.390 -12.798 2.699 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.332 -13.880 1.692 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.718 -12.882 1.109 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.742 -13.794 0.018 1.00 0.00 H new ATOM 985 N VAL B 5 -11.848 -8.523 0.370 1.00 0.00 N ATOM 986 CA VAL B 5 -11.320 -7.288 0.907 1.00 0.00 C ATOM 987 C VAL B 5 -11.905 -7.059 2.325 1.00 0.00 C ATOM 988 O VAL B 5 -13.012 -7.506 2.607 1.00 0.00 O ATOM 989 CB VAL B 5 -11.653 -6.150 -0.036 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.798 -4.945 0.300 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.455 -6.387 -1.519 1.00 0.00 C ATOM 0 H VAL B 5 -12.453 -8.433 -0.446 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.235 -7.339 0.997 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.723 -6.019 0.122 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.039 -4.127 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.994 -4.634 1.326 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.745 -5.206 0.195 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.732 -5.489 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.409 -6.624 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.081 -7.219 -1.841 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.110 -6.425 3.233 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.592 -6.171 4.580 1.00 0.00 C ATOM 1003 C PRO B 6 -12.728 -5.153 4.727 1.00 0.00 C ATOM 1004 O PRO B 6 -12.920 -4.274 3.902 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.385 -5.595 5.330 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.167 -5.666 4.420 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.674 -6.159 3.082 1.00 0.00 C ATOM 0 HA PRO B 6 -12.002 -7.110 4.951 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.579 -4.563 5.622 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.206 -6.157 6.246 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.695 -4.688 4.322 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.416 -6.343 4.826 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.500 -5.413 2.306 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.145 -7.063 2.779 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.430 -5.261 5.890 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.480 -4.289 6.205 1.00 0.00 C ATOM 1017 C PRO B 7 -13.789 -2.977 6.666 1.00 0.00 C ATOM 1018 O PRO B 7 -13.078 -3.008 7.660 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.223 -4.916 7.407 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.380 -6.100 7.912 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.308 -6.363 6.853 1.00 0.00 C ATOM 0 HA PRO B 7 -15.143 -4.071 5.368 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.360 -4.179 8.198 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.216 -5.253 7.109 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.924 -5.867 8.874 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.002 -6.983 8.060 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.314 -6.387 7.299 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.463 -7.327 6.368 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.020 -1.842 5.950 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.370 -0.586 6.388 1.00 0.00 C ATOM 1031 C ARG B 8 -14.335 0.225 7.249 1.00 0.00 C ATOM 1032 O ARG B 8 -15.525 -0.061 7.315 1.00 0.00 O ATOM 1033 CB ARG B 8 -12.748 0.274 5.264 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.635 0.668 4.077 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.316 2.034 4.242 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.107 2.335 3.052 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.396 1.959 2.909 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.027 1.250 3.838 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.056 2.292 1.810 1.00 0.00 N ATOM 0 H ARG B 8 -14.611 -1.773 5.122 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.508 -0.894 6.979 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.371 1.191 5.717 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.886 -0.265 4.871 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.029 0.681 3.171 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.401 -0.095 3.938 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -14.956 2.028 5.124 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -13.566 2.809 4.398 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.665 2.854 2.293 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -16.537 0.974 4.689 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.001 0.981 3.700 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.590 2.829 1.078 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.030 2.011 1.695 1.00 0.00 H new