USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 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 39 SER OG : rot 162:sc= -0.165 USER MOD Set 1.2: A 41 SER OG : rot -62:sc= -0.18 USER MOD Single : A 6 LYS NZ :NH3+ 138:sc= 0.396 (180deg=0.000816) USER MOD Single : A 10 CYS SG : rot 14:sc= -6.53! USER MOD Single : A 15 GLN : amide:sc= -0.0538 K(o=-0.054,f=-1.4!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0724 X(o=-0.072,f=-0.00067) USER MOD Single : A 37 TYR OH : rot 63:sc= 1.04 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.287 (180deg=-1.38!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.664 USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0.374 (180deg=0.373) USER MOD Single : A 50 GLN : amide:sc= -0.269 K(o=-0.27,f=-0.92) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 136:sc= -0.442 (180deg=-3.53!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.22 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.713 5.619 -2.936 1.00 0.00 N ATOM 54 CA ARG A 5 -12.510 4.751 -2.806 1.00 0.00 C ATOM 55 C ARG A 5 -11.813 4.638 -4.164 1.00 0.00 C ATOM 56 O ARG A 5 -12.345 4.075 -5.099 1.00 0.00 O ATOM 57 CB ARG A 5 -12.933 3.359 -2.332 1.00 0.00 C ATOM 58 CG ARG A 5 -13.541 3.459 -0.932 1.00 0.00 C ATOM 59 CD ARG A 5 -14.037 2.082 -0.490 1.00 0.00 C ATOM 60 NE ARG A 5 -12.879 1.150 -0.377 1.00 0.00 N ATOM 61 CZ ARG A 5 -13.084 -0.127 -0.202 1.00 0.00 C ATOM 62 NH1 ARG A 5 -14.303 -0.588 -0.126 1.00 0.00 N ATOM 63 NH2 ARG A 5 -12.071 -0.943 -0.103 1.00 0.00 N ATOM 0 HA ARG A 5 -11.824 5.188 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.658 2.932 -3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.072 2.690 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.798 3.833 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.366 4.171 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.551 2.159 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.760 1.696 -1.209 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.927 1.510 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.095 0.050 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.463 -1.586 0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.118 -0.583 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.231 -1.941 0.034 1.00 0.00 H new ATOM 77 N LYS A 6 -10.626 5.168 -4.279 1.00 0.00 N ATOM 78 CA LYS A 6 -9.896 5.089 -5.575 1.00 0.00 C ATOM 79 C LYS A 6 -8.691 4.160 -5.427 1.00 0.00 C ATOM 80 O LYS A 6 -7.698 4.506 -4.818 1.00 0.00 O ATOM 81 CB LYS A 6 -9.417 6.486 -5.976 1.00 0.00 C ATOM 82 CG LYS A 6 -10.565 7.485 -5.820 1.00 0.00 C ATOM 83 CD LYS A 6 -10.498 8.127 -4.433 1.00 0.00 C ATOM 84 CE LYS A 6 -9.466 9.257 -4.442 1.00 0.00 C ATOM 85 NZ LYS A 6 -9.648 10.107 -3.233 1.00 0.00 N ATOM 0 H LYS A 6 -10.130 5.653 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.563 4.698 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.574 6.785 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.065 6.479 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.500 8.253 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.522 6.980 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.477 8.517 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.228 7.379 -3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.458 8.843 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.579 9.860 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.718 10.348 -2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.149 10.980 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.204 9.588 -2.524 1.00 0.00 H new ATOM 99 N ARG A 7 -8.768 2.979 -5.980 1.00 0.00 N ATOM 100 CA ARG A 7 -7.630 2.024 -5.860 1.00 0.00 C ATOM 101 C ARG A 7 -6.837 2.014 -7.168 1.00 0.00 C ATOM 102 O ARG A 7 -7.349 1.664 -8.214 1.00 0.00 O ATOM 103 CB ARG A 7 -8.168 0.621 -5.578 1.00 0.00 C ATOM 104 CG ARG A 7 -6.999 -0.341 -5.359 1.00 0.00 C ATOM 105 CD ARG A 7 -7.537 -1.729 -5.010 1.00 0.00 C ATOM 106 NE ARG A 7 -8.293 -2.276 -6.172 1.00 0.00 N ATOM 107 CZ ARG A 7 -9.288 -3.098 -5.976 1.00 0.00 C ATOM 108 NH1 ARG A 7 -9.620 -3.441 -4.762 1.00 0.00 N ATOM 109 NH2 ARG A 7 -9.949 -3.576 -6.994 1.00 0.00 N ATOM 0 H ARG A 7 -9.569 2.635 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.980 2.333 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.810 0.637 -4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.781 0.281 -6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.384 -0.393 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.359 0.025 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.714 -2.395 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.185 -1.670 -4.136 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.033 -2.008 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.102 -3.067 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.397 -4.083 -4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.688 -3.307 -7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.726 -4.218 -6.841 1.00 0.00 H new ATOM 123 N TRP A 8 -5.587 2.393 -7.119 1.00 0.00 N ATOM 124 CA TRP A 8 -4.761 2.396 -8.359 1.00 0.00 C ATOM 125 C TRP A 8 -3.501 1.559 -8.133 1.00 0.00 C ATOM 126 O TRP A 8 -2.941 1.540 -7.054 1.00 0.00 O ATOM 127 CB TRP A 8 -4.365 3.833 -8.704 1.00 0.00 C ATOM 128 CG TRP A 8 -4.611 4.716 -7.523 1.00 0.00 C ATOM 129 CD1 TRP A 8 -4.092 4.524 -6.288 1.00 0.00 C ATOM 130 CD2 TRP A 8 -5.428 5.919 -7.442 1.00 0.00 C ATOM 131 NE1 TRP A 8 -4.537 5.533 -5.455 1.00 0.00 N ATOM 132 CE2 TRP A 8 -5.363 6.419 -6.119 1.00 0.00 C ATOM 133 CE3 TRP A 8 -6.209 6.620 -8.379 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -6.050 7.573 -5.739 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -6.902 7.781 -8.000 1.00 0.00 C ATOM 136 CH2 TRP A 8 -6.822 8.257 -6.682 1.00 0.00 C ATOM 0 H TRP A 8 -5.104 2.700 -6.275 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.337 1.971 -9.181 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.314 3.873 -8.989 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.941 4.184 -9.560 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.437 3.715 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.286 5.614 -4.470 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.276 6.263 -9.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.985 7.935 -4.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -7.500 8.311 -8.727 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -7.357 9.151 -6.397 1.00 0.00 H new ATOM 147 N GLU A 9 -3.048 0.867 -9.142 1.00 0.00 N ATOM 148 CA GLU A 9 -1.827 0.027 -8.983 1.00 0.00 C ATOM 149 C GLU A 9 -0.661 0.905 -8.522 1.00 0.00 C ATOM 150 O GLU A 9 -0.508 2.030 -8.957 1.00 0.00 O ATOM 151 CB GLU A 9 -1.477 -0.625 -10.321 1.00 0.00 C ATOM 152 CG GLU A 9 -0.277 -1.556 -10.137 1.00 0.00 C ATOM 153 CD GLU A 9 0.071 -2.210 -11.476 1.00 0.00 C ATOM 154 OE1 GLU A 9 -0.737 -2.119 -12.386 1.00 0.00 O ATOM 155 OE2 GLU A 9 1.141 -2.791 -11.568 1.00 0.00 O ATOM 0 H GLU A 9 -3.471 0.847 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.014 -0.749 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.332 -1.186 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.246 0.141 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.578 -0.994 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.507 -2.321 -9.395 1.00 0.00 H new ATOM 162 N CYS A 10 0.162 0.401 -7.644 1.00 0.00 N ATOM 163 CA CYS A 10 1.321 1.204 -7.160 1.00 0.00 C ATOM 164 C CYS A 10 2.572 0.826 -7.955 1.00 0.00 C ATOM 165 O CYS A 10 2.968 -0.321 -7.996 1.00 0.00 O ATOM 166 CB CYS A 10 1.553 0.920 -5.675 1.00 0.00 C ATOM 167 SG CYS A 10 1.115 -0.798 -5.314 1.00 0.00 S ATOM 0 H CYS A 10 0.082 -0.532 -7.241 1.00 0.00 H new ATOM 0 HA CYS A 10 1.111 2.265 -7.298 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.596 1.102 -5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.952 1.595 -5.066 1.00 0.00 H new ATOM 0 HG CYS A 10 1.003 -1.460 -6.427 1.00 0.00 H new ATOM 173 N PRO A 11 3.187 1.791 -8.581 1.00 0.00 N ATOM 174 CA PRO A 11 4.402 1.569 -9.416 1.00 0.00 C ATOM 175 C PRO A 11 5.648 1.301 -8.567 1.00 0.00 C ATOM 176 O PRO A 11 6.527 0.560 -8.957 1.00 0.00 O ATOM 177 CB PRO A 11 4.556 2.879 -10.191 1.00 0.00 C ATOM 178 CG PRO A 11 3.896 3.921 -9.349 1.00 0.00 C ATOM 179 CD PRO A 11 2.787 3.207 -8.558 1.00 0.00 C ATOM 0 HA PRO A 11 4.297 0.694 -10.057 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.607 3.116 -10.356 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.086 2.812 -11.172 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.615 4.387 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.480 4.715 -9.970 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.718 3.585 -7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.810 3.353 -9.019 1.00 0.00 H new ATOM 187 N ALA A 12 5.728 1.899 -7.409 1.00 0.00 N ATOM 188 CA ALA A 12 6.916 1.677 -6.538 1.00 0.00 C ATOM 189 C ALA A 12 6.930 0.227 -6.053 1.00 0.00 C ATOM 190 O ALA A 12 7.970 -0.393 -5.948 1.00 0.00 O ATOM 191 CB ALA A 12 6.847 2.617 -5.334 1.00 0.00 C ATOM 0 H ALA A 12 5.023 2.531 -7.030 1.00 0.00 H new ATOM 0 HA ALA A 12 7.825 1.878 -7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.716 2.455 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.838 3.651 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.938 2.416 -4.767 1.00 0.00 H new ATOM 197 N LEU A 13 5.782 -0.319 -5.754 1.00 0.00 N ATOM 198 CA LEU A 13 5.731 -1.730 -5.277 1.00 0.00 C ATOM 199 C LEU A 13 5.726 -2.676 -6.479 1.00 0.00 C ATOM 200 O LEU A 13 5.344 -2.305 -7.570 1.00 0.00 O ATOM 201 CB LEU A 13 4.458 -1.944 -4.454 1.00 0.00 C ATOM 202 CG LEU A 13 4.646 -1.349 -3.058 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.277 0.039 -3.173 1.00 0.00 C ATOM 204 CD2 LEU A 13 3.286 -1.234 -2.366 1.00 0.00 C ATOM 0 H LEU A 13 4.879 0.151 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 13 6.604 -1.936 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.609 -1.474 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.235 -3.008 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 13 5.299 -1.997 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.410 0.462 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.246 -0.041 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.625 0.688 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.419 -0.810 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.633 -0.587 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.836 -2.223 -2.282 1.00 0.00 H new ATOM 216 N PRO A 14 6.149 -3.894 -6.273 1.00 0.00 N ATOM 217 CA PRO A 14 6.192 -4.926 -7.348 1.00 0.00 C ATOM 218 C PRO A 14 4.868 -5.026 -8.110 1.00 0.00 C ATOM 219 O PRO A 14 3.821 -4.675 -7.604 1.00 0.00 O ATOM 220 CB PRO A 14 6.474 -6.227 -6.595 1.00 0.00 C ATOM 221 CG PRO A 14 7.143 -5.817 -5.325 1.00 0.00 C ATOM 222 CD PRO A 14 6.631 -4.418 -4.987 1.00 0.00 C ATOM 0 HA PRO A 14 6.941 -4.690 -8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.552 -6.772 -6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.114 -6.888 -7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.911 -6.518 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.227 -5.814 -5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.832 -4.454 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.422 -3.793 -4.573 1.00 0.00 H new ATOM 230 N GLN A 15 4.906 -5.499 -9.326 1.00 0.00 N ATOM 231 CA GLN A 15 3.651 -5.618 -10.118 1.00 0.00 C ATOM 232 C GLN A 15 2.640 -6.471 -9.347 1.00 0.00 C ATOM 233 O GLN A 15 2.912 -7.598 -8.986 1.00 0.00 O ATOM 234 CB GLN A 15 3.957 -6.282 -11.462 1.00 0.00 C ATOM 235 CG GLN A 15 4.929 -7.443 -11.250 1.00 0.00 C ATOM 236 CD GLN A 15 5.040 -8.260 -12.539 1.00 0.00 C ATOM 237 OE1 GLN A 15 4.090 -8.362 -13.290 1.00 0.00 O ATOM 238 NE2 GLN A 15 6.167 -8.849 -12.827 1.00 0.00 N ATOM 0 H GLN A 15 5.752 -5.808 -9.804 1.00 0.00 H new ATOM 0 HA GLN A 15 3.234 -4.625 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.036 -6.644 -11.918 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.388 -5.554 -12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.909 -7.062 -10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.582 -8.077 -10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.964 -8.763 -12.196 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.252 -9.396 -13.684 1.00 0.00 H new ATOM 247 N GLY A 16 1.474 -5.943 -9.095 1.00 0.00 N ATOM 248 CA GLY A 16 0.443 -6.728 -8.359 1.00 0.00 C ATOM 249 C GLY A 16 0.008 -5.960 -7.110 1.00 0.00 C ATOM 250 O GLY A 16 -1.135 -6.016 -6.702 1.00 0.00 O ATOM 0 H GLY A 16 1.190 -5.002 -9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.417 -6.912 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.845 -7.702 -8.078 1.00 0.00 H new ATOM 254 N TRP A 17 0.911 -5.241 -6.501 1.00 0.00 N ATOM 255 CA TRP A 17 0.543 -4.456 -5.288 1.00 0.00 C ATOM 256 C TRP A 17 -0.337 -3.272 -5.694 1.00 0.00 C ATOM 257 O TRP A 17 -0.218 -2.743 -6.781 1.00 0.00 O ATOM 258 CB TRP A 17 1.814 -3.939 -4.612 1.00 0.00 C ATOM 259 CG TRP A 17 2.594 -5.091 -4.068 1.00 0.00 C ATOM 260 CD1 TRP A 17 3.259 -6.002 -4.816 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.801 -5.475 -2.678 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.861 -6.919 -3.973 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.607 -6.637 -2.646 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.371 -4.933 -1.452 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.975 -7.239 -1.443 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.738 -5.536 -0.239 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.539 -6.687 -0.234 1.00 0.00 C ATOM 0 H TRP A 17 1.886 -5.163 -6.790 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.005 -5.094 -4.594 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.419 -3.383 -5.328 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.556 -3.249 -3.809 1.00 0.00 H new ATOM 0 HD1 TRP A 17 3.311 -6.012 -5.895 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.424 -7.707 -4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.754 -4.047 -1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.592 -8.125 -1.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.402 -5.111 0.695 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.819 -7.147 0.702 1.00 0.00 H new ATOM 278 N GLU A 18 -1.219 -2.854 -4.829 1.00 0.00 N ATOM 279 CA GLU A 18 -2.126 -1.724 -5.178 1.00 0.00 C ATOM 280 C GLU A 18 -2.400 -0.883 -3.929 1.00 0.00 C ATOM 281 O GLU A 18 -2.261 -1.347 -2.815 1.00 0.00 O ATOM 282 CB GLU A 18 -3.447 -2.278 -5.718 1.00 0.00 C ATOM 283 CG GLU A 18 -3.161 -3.275 -6.843 1.00 0.00 C ATOM 284 CD GLU A 18 -4.481 -3.751 -7.451 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.511 -3.216 -7.076 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.440 -4.644 -8.282 1.00 0.00 O ATOM 0 H GLU A 18 -1.351 -3.245 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.654 -1.102 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.003 -2.766 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.070 -1.464 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.543 -2.807 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.599 -4.125 -6.456 1.00 0.00 H new ATOM 293 N ARG A 19 -2.788 0.349 -4.106 1.00 0.00 N ATOM 294 CA ARG A 19 -3.091 1.212 -2.929 1.00 0.00 C ATOM 295 C ARG A 19 -4.305 2.091 -3.241 1.00 0.00 C ATOM 296 O ARG A 19 -4.506 2.514 -4.361 1.00 0.00 O ATOM 297 CB ARG A 19 -1.883 2.101 -2.624 1.00 0.00 C ATOM 298 CG ARG A 19 -1.649 3.063 -3.790 1.00 0.00 C ATOM 299 CD ARG A 19 -0.462 3.974 -3.469 1.00 0.00 C ATOM 300 NE ARG A 19 -0.295 4.975 -4.561 1.00 0.00 N ATOM 301 CZ ARG A 19 0.108 6.185 -4.280 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.365 6.517 -3.045 1.00 0.00 N ATOM 303 NH2 ARG A 19 0.252 7.062 -5.236 1.00 0.00 N ATOM 0 H ARG A 19 -2.909 0.796 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.308 0.585 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.054 2.662 -1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.997 1.486 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.454 2.503 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.543 3.661 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.626 4.481 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.447 3.381 -3.362 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.495 4.715 -5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.251 5.831 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.680 7.462 -2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.050 6.802 -6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.567 8.007 -5.018 1.00 0.00 H new ATOM 317 N GLU A 20 -5.117 2.367 -2.258 1.00 0.00 N ATOM 318 CA GLU A 20 -6.323 3.206 -2.502 1.00 0.00 C ATOM 319 C GLU A 20 -6.391 4.322 -1.458 1.00 0.00 C ATOM 320 O GLU A 20 -6.047 4.132 -0.308 1.00 0.00 O ATOM 321 CB GLU A 20 -7.578 2.337 -2.401 1.00 0.00 C ATOM 322 CG GLU A 20 -7.784 1.903 -0.948 1.00 0.00 C ATOM 323 CD GLU A 20 -8.979 0.952 -0.863 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.146 0.159 -1.775 1.00 0.00 O ATOM 325 OE2 GLU A 20 -9.706 1.031 0.114 1.00 0.00 O ATOM 0 H GLU A 20 -4.997 2.048 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.263 3.645 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.447 2.893 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.479 1.461 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.887 1.410 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.955 2.776 -0.318 1.00 0.00 H new ATOM 332 N GLU A 21 -6.831 5.487 -1.850 1.00 0.00 N ATOM 333 CA GLU A 21 -6.954 6.605 -0.871 1.00 0.00 C ATOM 334 C GLU A 21 -8.404 6.711 -0.398 1.00 0.00 C ATOM 335 O GLU A 21 -9.330 6.617 -1.180 1.00 0.00 O ATOM 336 CB GLU A 21 -6.538 7.916 -1.543 1.00 0.00 C ATOM 337 CG GLU A 21 -6.549 9.045 -0.511 1.00 0.00 C ATOM 338 CD GLU A 21 -6.169 10.361 -1.191 1.00 0.00 C ATOM 339 OE1 GLU A 21 -7.031 10.947 -1.827 1.00 0.00 O ATOM 340 OE2 GLU A 21 -5.024 10.763 -1.062 1.00 0.00 O ATOM 0 H GLU A 21 -7.110 5.713 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.307 6.413 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.543 7.815 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.220 8.150 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.537 9.129 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.848 8.823 0.294 1.00 0.00 H new ATOM 347 N VAL A 22 -8.611 6.905 0.875 1.00 0.00 N ATOM 348 CA VAL A 22 -10.004 6.998 1.397 1.00 0.00 C ATOM 349 C VAL A 22 -10.063 8.042 2.514 1.00 0.00 C ATOM 350 O VAL A 22 -9.690 7.779 3.641 1.00 0.00 O ATOM 351 CB VAL A 22 -10.435 5.638 1.948 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.911 5.691 2.343 1.00 0.00 C ATOM 353 CG2 VAL A 22 -10.234 4.567 0.872 1.00 0.00 C ATOM 0 H VAL A 22 -7.877 7.003 1.576 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.674 7.292 0.589 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.834 5.394 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.218 4.721 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.056 6.454 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.513 5.935 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.541 3.597 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.836 4.813 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.182 4.528 0.589 1.00 0.00 H new ATOM 363 N PRO A 23 -10.536 9.217 2.199 1.00 0.00 N ATOM 364 CA PRO A 23 -10.706 10.313 3.193 1.00 0.00 C ATOM 365 C PRO A 23 -11.592 9.894 4.370 1.00 0.00 C ATOM 366 O PRO A 23 -12.621 9.271 4.192 1.00 0.00 O ATOM 367 CB PRO A 23 -11.375 11.429 2.390 1.00 0.00 C ATOM 368 CG PRO A 23 -11.053 11.136 0.961 1.00 0.00 C ATOM 369 CD PRO A 23 -10.960 9.628 0.852 1.00 0.00 C ATOM 0 HA PRO A 23 -9.756 10.607 3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.452 11.441 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.996 12.407 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.826 11.528 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.114 11.607 0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.918 9.185 0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.240 9.323 0.093 1.00 0.00 H new ATOM 377 N ARG A 24 -11.205 10.232 5.568 1.00 0.00 N ATOM 378 CA ARG A 24 -12.029 9.855 6.752 1.00 0.00 C ATOM 379 C ARG A 24 -12.486 11.121 7.480 1.00 0.00 C ATOM 380 O ARG A 24 -11.808 11.624 8.354 1.00 0.00 O ATOM 381 CB ARG A 24 -11.194 8.993 7.701 1.00 0.00 C ATOM 382 CG ARG A 24 -9.773 9.551 7.780 1.00 0.00 C ATOM 383 CD ARG A 24 -8.939 8.692 8.732 1.00 0.00 C ATOM 384 NE ARG A 24 -7.541 9.208 8.771 1.00 0.00 N ATOM 385 CZ ARG A 24 -6.655 8.636 9.541 1.00 0.00 C ATOM 386 NH1 ARG A 24 -6.994 7.611 10.275 1.00 0.00 N ATOM 387 NH2 ARG A 24 -5.432 9.089 9.576 1.00 0.00 N ATOM 0 H ARG A 24 -10.354 10.753 5.779 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.902 9.291 6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.647 8.981 8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.172 7.962 7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.319 9.560 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.795 10.583 8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.373 8.712 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.946 7.653 8.402 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.276 10.008 8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.950 7.258 10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.302 7.164 10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.168 9.890 9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.740 8.642 10.177 1.00 0.00 H new ATOM 490 N HIS A 32 -8.200 13.964 8.403 1.00 0.00 N ATOM 491 CA HIS A 32 -7.061 13.444 7.596 1.00 0.00 C ATOM 492 C HIS A 32 -7.556 12.325 6.677 1.00 0.00 C ATOM 493 O HIS A 32 -8.699 11.918 6.740 1.00 0.00 O ATOM 494 CB HIS A 32 -5.981 12.893 8.531 1.00 0.00 C ATOM 495 CG HIS A 32 -5.303 14.033 9.239 1.00 0.00 C ATOM 496 ND1 HIS A 32 -4.960 13.972 10.583 1.00 0.00 N ATOM 497 CD2 HIS A 32 -4.897 15.272 8.805 1.00 0.00 C ATOM 498 CE1 HIS A 32 -4.374 15.141 10.906 1.00 0.00 C ATOM 499 NE2 HIS A 32 -4.313 15.965 9.859 1.00 0.00 N ATOM 0 HA HIS A 32 -6.644 14.252 6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.426 12.213 9.257 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.250 12.318 7.962 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.014 15.649 7.800 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.000 15.381 11.890 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.920 16.906 9.836 1.00 0.00 H new ATOM 508 N ARG A 33 -6.704 11.827 5.823 1.00 0.00 N ATOM 509 CA ARG A 33 -7.127 10.734 4.901 1.00 0.00 C ATOM 510 C ARG A 33 -6.287 9.485 5.172 1.00 0.00 C ATOM 511 O ARG A 33 -5.090 9.560 5.363 1.00 0.00 O ATOM 512 CB ARG A 33 -6.925 11.181 3.452 1.00 0.00 C ATOM 513 CG ARG A 33 -5.463 11.581 3.241 1.00 0.00 C ATOM 514 CD ARG A 33 -5.274 12.086 1.809 1.00 0.00 C ATOM 515 NE ARG A 33 -3.849 12.475 1.604 1.00 0.00 N ATOM 516 CZ ARG A 33 -2.971 11.574 1.262 1.00 0.00 C ATOM 517 NH1 ARG A 33 -3.337 10.332 1.099 1.00 0.00 N ATOM 518 NH2 ARG A 33 -1.723 11.914 1.082 1.00 0.00 N ATOM 0 H ARG A 33 -5.735 12.129 5.724 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.180 10.506 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.195 10.374 2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.580 12.022 3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.181 12.358 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.811 10.727 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.556 11.310 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.926 12.940 1.624 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.561 13.445 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.311 10.065 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.649 9.628 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.435 12.884 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.036 11.209 0.814 1.00 0.00 H new ATOM 532 N ASP A 34 -6.905 8.336 5.191 1.00 0.00 N ATOM 533 CA ASP A 34 -6.143 7.084 5.461 1.00 0.00 C ATOM 534 C ASP A 34 -5.942 6.318 4.152 1.00 0.00 C ATOM 535 O ASP A 34 -6.859 6.149 3.373 1.00 0.00 O ATOM 536 CB ASP A 34 -6.925 6.213 6.448 1.00 0.00 C ATOM 537 CG ASP A 34 -6.090 4.988 6.819 1.00 0.00 C ATOM 538 OD1 ASP A 34 -5.101 4.744 6.148 1.00 0.00 O ATOM 539 OD2 ASP A 34 -6.455 4.312 7.767 1.00 0.00 O ATOM 0 H ASP A 34 -7.905 8.210 5.031 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.172 7.334 5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.167 6.786 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.870 5.901 6.004 1.00 0.00 H new ATOM 544 N VAL A 35 -4.749 5.851 3.905 1.00 0.00 N ATOM 545 CA VAL A 35 -4.494 5.085 2.654 1.00 0.00 C ATOM 546 C VAL A 35 -4.261 3.613 2.997 1.00 0.00 C ATOM 547 O VAL A 35 -3.509 3.286 3.894 1.00 0.00 O ATOM 548 CB VAL A 35 -3.254 5.648 1.954 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.998 4.869 0.663 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.485 7.124 1.621 1.00 0.00 C ATOM 0 H VAL A 35 -3.940 5.967 4.516 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.356 5.173 1.992 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.390 5.553 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.115 5.270 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.835 3.817 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.861 4.964 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.603 7.527 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.349 7.218 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.668 7.680 2.540 1.00 0.00 H new ATOM 560 N PHE A 36 -4.899 2.721 2.290 1.00 0.00 N ATOM 561 CA PHE A 36 -4.727 1.271 2.589 1.00 0.00 C ATOM 562 C PHE A 36 -3.977 0.600 1.436 1.00 0.00 C ATOM 563 O PHE A 36 -4.187 0.911 0.281 1.00 0.00 O ATOM 564 CB PHE A 36 -6.101 0.619 2.754 1.00 0.00 C ATOM 565 CG PHE A 36 -6.794 1.202 3.962 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.618 0.616 5.221 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.610 2.330 3.823 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.260 1.158 6.342 1.00 0.00 C ATOM 569 CE2 PHE A 36 -8.252 2.871 4.942 1.00 0.00 C ATOM 570 CZ PHE A 36 -8.077 2.285 6.202 1.00 0.00 C ATOM 0 H PHE A 36 -5.532 2.933 1.519 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.157 1.153 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.703 0.785 1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.992 -0.459 2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.987 -0.254 5.328 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.744 2.783 2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.124 0.706 7.314 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.883 3.741 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.573 2.703 7.066 1.00 0.00 H new ATOM 580 N TYR A 37 -3.105 -0.321 1.741 1.00 0.00 N ATOM 581 CA TYR A 37 -2.343 -1.013 0.663 1.00 0.00 C ATOM 582 C TYR A 37 -2.730 -2.492 0.634 1.00 0.00 C ATOM 583 O TYR A 37 -2.963 -3.104 1.658 1.00 0.00 O ATOM 584 CB TYR A 37 -0.843 -0.883 0.935 1.00 0.00 C ATOM 585 CG TYR A 37 -0.419 0.554 0.742 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.752 1.518 1.702 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.305 0.922 -0.398 1.00 0.00 C ATOM 588 CE1 TYR A 37 -0.360 2.849 1.522 1.00 0.00 C ATOM 589 CE2 TYR A 37 0.697 2.255 -0.578 1.00 0.00 C ATOM 590 CZ TYR A 37 0.364 3.217 0.382 1.00 0.00 C ATOM 591 OH TYR A 37 0.751 4.531 0.205 1.00 0.00 O ATOM 0 H TYR A 37 -2.887 -0.625 2.690 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.579 -0.557 -0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.617 -1.207 1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.283 -1.532 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.311 1.234 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.561 0.179 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.616 3.592 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.256 2.540 -1.457 1.00 0.00 H new ATOM 0 HH TYR A 37 1.367 4.790 0.922 1.00 0.00 H new ATOM 601 N TYR A 38 -2.804 -3.073 -0.532 1.00 0.00 N ATOM 602 CA TYR A 38 -3.191 -4.509 -0.627 1.00 0.00 C ATOM 603 C TYR A 38 -2.093 -5.287 -1.354 1.00 0.00 C ATOM 604 O TYR A 38 -1.606 -4.874 -2.387 1.00 0.00 O ATOM 605 CB TYR A 38 -4.504 -4.631 -1.403 1.00 0.00 C ATOM 606 CG TYR A 38 -5.576 -3.824 -0.712 1.00 0.00 C ATOM 607 CD1 TYR A 38 -6.212 -4.333 0.426 1.00 0.00 C ATOM 608 CD2 TYR A 38 -5.932 -2.564 -1.206 1.00 0.00 C ATOM 609 CE1 TYR A 38 -7.205 -3.585 1.069 1.00 0.00 C ATOM 610 CE2 TYR A 38 -6.925 -1.814 -0.563 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.562 -2.325 0.574 1.00 0.00 C ATOM 612 OH TYR A 38 -8.541 -1.587 1.207 1.00 0.00 O ATOM 0 H TYR A 38 -2.613 -2.615 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.321 -4.918 0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.369 -4.276 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.805 -5.677 -1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.936 -5.305 0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.441 -2.170 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.696 -3.980 1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.199 -0.842 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.545 -1.801 2.163 1.00 0.00 H new ATOM 622 N SER A 39 -1.702 -6.413 -0.824 1.00 0.00 N ATOM 623 CA SER A 39 -0.642 -7.222 -1.490 1.00 0.00 C ATOM 624 C SER A 39 -1.291 -8.342 -2.304 1.00 0.00 C ATOM 625 O SER A 39 -2.497 -8.490 -2.321 1.00 0.00 O ATOM 626 CB SER A 39 0.278 -7.828 -0.429 1.00 0.00 C ATOM 627 OG SER A 39 0.007 -9.220 -0.313 1.00 0.00 O ATOM 0 H SER A 39 -2.070 -6.808 0.041 1.00 0.00 H new ATOM 0 HA SER A 39 -0.059 -6.583 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.321 -7.670 -0.702 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.122 -7.334 0.530 1.00 0.00 H new ATOM 0 HG SER A 39 0.756 -9.662 0.139 1.00 0.00 H new ATOM 633 N PRO A 40 -0.490 -9.125 -2.973 1.00 0.00 N ATOM 634 CA PRO A 40 -0.979 -10.259 -3.809 1.00 0.00 C ATOM 635 C PRO A 40 -1.870 -11.221 -3.016 1.00 0.00 C ATOM 636 O PRO A 40 -2.758 -11.849 -3.559 1.00 0.00 O ATOM 637 CB PRO A 40 0.303 -10.963 -4.255 1.00 0.00 C ATOM 638 CG PRO A 40 1.379 -9.933 -4.158 1.00 0.00 C ATOM 639 CD PRO A 40 0.976 -9.012 -3.003 1.00 0.00 C ATOM 0 HA PRO A 40 -1.596 -9.913 -4.638 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.522 -11.820 -3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.210 -11.339 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.347 -10.396 -3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.470 -9.374 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.423 -9.330 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.296 -7.985 -3.177 1.00 0.00 H new ATOM 647 N SER A 41 -1.639 -11.342 -1.738 1.00 0.00 N ATOM 648 CA SER A 41 -2.475 -12.257 -0.913 1.00 0.00 C ATOM 649 C SER A 41 -3.733 -11.518 -0.446 1.00 0.00 C ATOM 650 O SER A 41 -4.494 -12.017 0.358 1.00 0.00 O ATOM 651 CB SER A 41 -1.675 -12.722 0.304 1.00 0.00 C ATOM 652 OG SER A 41 -1.377 -11.600 1.125 1.00 0.00 O ATOM 0 H SER A 41 -0.907 -10.846 -1.230 1.00 0.00 H new ATOM 0 HA SER A 41 -2.763 -13.122 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.245 -13.460 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.754 -13.208 -0.016 1.00 0.00 H new ATOM 0 HG SER A 41 -0.819 -10.968 0.625 1.00 0.00 H new ATOM 658 N GLY A 42 -3.953 -10.333 -0.942 1.00 0.00 N ATOM 659 CA GLY A 42 -5.158 -9.562 -0.522 1.00 0.00 C ATOM 660 C GLY A 42 -4.968 -9.055 0.909 1.00 0.00 C ATOM 661 O GLY A 42 -5.880 -8.535 1.519 1.00 0.00 O ATOM 0 H GLY A 42 -3.352 -9.864 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.319 -8.722 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.045 -10.193 -0.581 1.00 0.00 H new ATOM 665 N LYS A 43 -3.789 -9.204 1.449 1.00 0.00 N ATOM 666 CA LYS A 43 -3.544 -8.735 2.842 1.00 0.00 C ATOM 667 C LYS A 43 -3.619 -7.208 2.887 1.00 0.00 C ATOM 668 O LYS A 43 -2.985 -6.523 2.110 1.00 0.00 O ATOM 669 CB LYS A 43 -2.156 -9.191 3.296 1.00 0.00 C ATOM 670 CG LYS A 43 -2.038 -9.039 4.814 1.00 0.00 C ATOM 671 CD LYS A 43 -0.907 -8.064 5.144 1.00 0.00 C ATOM 672 CE LYS A 43 0.437 -8.706 4.798 1.00 0.00 C ATOM 673 NZ LYS A 43 1.515 -8.071 5.608 1.00 0.00 N ATOM 0 H LYS A 43 -2.986 -9.630 0.986 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.300 -9.155 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.992 -10.230 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.387 -8.599 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.978 -8.675 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.842 -10.008 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.035 -7.138 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.935 -7.802 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.402 -9.777 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.647 -8.585 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.295 -8.747 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.868 -7.226 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.135 -7.796 6.536 1.00 0.00 H new ATOM 687 N LYS A 44 -4.391 -6.669 3.791 1.00 0.00 N ATOM 688 CA LYS A 44 -4.489 -5.186 3.899 1.00 0.00 C ATOM 689 C LYS A 44 -3.586 -4.697 5.033 1.00 0.00 C ATOM 690 O LYS A 44 -3.628 -5.206 6.136 1.00 0.00 O ATOM 691 CB LYS A 44 -5.938 -4.791 4.194 1.00 0.00 C ATOM 692 CG LYS A 44 -6.289 -5.173 5.633 1.00 0.00 C ATOM 693 CD LYS A 44 -7.779 -4.925 5.878 1.00 0.00 C ATOM 694 CE LYS A 44 -8.128 -5.297 7.320 1.00 0.00 C ATOM 695 NZ LYS A 44 -9.607 -5.408 7.461 1.00 0.00 N ATOM 0 H LYS A 44 -4.958 -7.191 4.459 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.172 -4.731 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.070 -3.719 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.611 -5.293 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.050 -6.221 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.692 -4.587 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.019 -3.878 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.376 -5.517 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.655 -6.242 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.742 -4.542 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.844 -5.661 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.048 -4.497 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.963 -6.144 6.818 1.00 0.00 H new ATOM 709 N PHE A 45 -2.770 -3.712 4.771 1.00 0.00 N ATOM 710 CA PHE A 45 -1.864 -3.193 5.834 1.00 0.00 C ATOM 711 C PHE A 45 -1.762 -1.672 5.719 1.00 0.00 C ATOM 712 O PHE A 45 -1.860 -1.112 4.645 1.00 0.00 O ATOM 713 CB PHE A 45 -0.474 -3.813 5.664 1.00 0.00 C ATOM 714 CG PHE A 45 -0.019 -3.643 4.235 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.561 -4.453 3.228 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.943 -2.679 3.916 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.138 -4.296 1.903 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.366 -2.524 2.590 1.00 0.00 C ATOM 719 CZ PHE A 45 0.824 -3.332 1.583 1.00 0.00 C ATOM 0 H PHE A 45 -2.692 -3.245 3.868 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.263 -3.456 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.234 -3.336 6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.502 -4.871 5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.304 -5.197 3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.360 -2.054 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.555 -4.920 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.110 -1.781 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.148 -3.211 0.560 1.00 0.00 H new ATOM 729 N ARG A 46 -1.567 -0.996 6.818 1.00 0.00 N ATOM 730 CA ARG A 46 -1.459 0.490 6.770 1.00 0.00 C ATOM 731 C ARG A 46 -0.220 0.937 7.548 1.00 0.00 C ATOM 732 O ARG A 46 -0.288 1.802 8.398 1.00 0.00 O ATOM 733 CB ARG A 46 -2.708 1.112 7.398 1.00 0.00 C ATOM 734 CG ARG A 46 -2.993 0.440 8.743 1.00 0.00 C ATOM 735 CD ARG A 46 -4.217 1.091 9.389 1.00 0.00 C ATOM 736 NE ARG A 46 -4.482 0.449 10.707 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.219 -0.627 10.773 1.00 0.00 C ATOM 738 NH1 ARG A 46 -5.724 -1.138 9.684 1.00 0.00 N ATOM 739 NH2 ARG A 46 -5.452 -1.189 11.927 1.00 0.00 N ATOM 0 H ARG A 46 -1.478 -1.408 7.747 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.373 0.815 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.562 2.183 7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.562 0.991 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.168 -0.626 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.128 0.535 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.047 2.160 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.085 0.984 8.739 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.088 0.850 11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.543 -0.697 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.300 -1.978 9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.058 -0.788 12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.028 -2.029 11.978 1.00 0.00 H new ATOM 753 N SER A 47 0.913 0.354 7.265 1.00 0.00 N ATOM 754 CA SER A 47 2.154 0.744 7.990 1.00 0.00 C ATOM 755 C SER A 47 3.376 0.333 7.167 1.00 0.00 C ATOM 756 O SER A 47 3.382 -0.694 6.518 1.00 0.00 O ATOM 757 CB SER A 47 2.194 0.044 9.348 1.00 0.00 C ATOM 758 OG SER A 47 2.830 0.890 10.295 1.00 0.00 O ATOM 0 H SER A 47 1.032 -0.376 6.563 1.00 0.00 H new ATOM 0 HA SER A 47 2.163 1.824 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.182 -0.193 9.677 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.733 -0.900 9.267 1.00 0.00 H new ATOM 0 HG SER A 47 2.855 0.444 11.167 1.00 0.00 H new ATOM 764 N LYS A 48 4.413 1.125 7.189 1.00 0.00 N ATOM 765 CA LYS A 48 5.632 0.779 6.407 1.00 0.00 C ATOM 766 C LYS A 48 6.186 -0.562 6.891 1.00 0.00 C ATOM 767 O LYS A 48 6.546 -1.416 6.106 1.00 0.00 O ATOM 768 CB LYS A 48 6.690 1.869 6.602 1.00 0.00 C ATOM 769 CG LYS A 48 7.148 2.386 5.237 1.00 0.00 C ATOM 770 CD LYS A 48 8.055 3.603 5.431 1.00 0.00 C ATOM 771 CE LYS A 48 8.343 4.246 4.073 1.00 0.00 C ATOM 772 NZ LYS A 48 9.023 5.557 4.278 1.00 0.00 N ATOM 0 H LYS A 48 4.468 1.997 7.715 1.00 0.00 H new ATOM 0 HA LYS A 48 5.376 0.706 5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.280 2.687 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.540 1.471 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.683 1.602 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.284 2.656 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.576 4.325 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.988 3.302 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.972 3.588 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.414 4.389 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.204 6.002 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.415 6.178 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.925 5.406 4.772 1.00 0.00 H new ATOM 786 N PRO A 49 6.250 -0.741 8.182 1.00 0.00 N ATOM 787 CA PRO A 49 6.761 -1.998 8.800 1.00 0.00 C ATOM 788 C PRO A 49 6.001 -3.234 8.310 1.00 0.00 C ATOM 789 O PRO A 49 6.576 -4.281 8.090 1.00 0.00 O ATOM 790 CB PRO A 49 6.531 -1.788 10.298 1.00 0.00 C ATOM 791 CG PRO A 49 6.461 -0.309 10.488 1.00 0.00 C ATOM 792 CD PRO A 49 5.841 0.243 9.196 1.00 0.00 C ATOM 0 HA PRO A 49 7.804 -2.181 8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.609 -2.270 10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.342 -2.221 10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.852 -0.053 11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.452 0.112 10.659 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.756 0.318 9.270 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.215 1.240 8.964 1.00 0.00 H new ATOM 800 N GLN A 50 4.713 -3.120 8.138 1.00 0.00 N ATOM 801 CA GLN A 50 3.921 -4.285 7.653 1.00 0.00 C ATOM 802 C GLN A 50 4.311 -4.601 6.207 1.00 0.00 C ATOM 803 O GLN A 50 4.391 -5.748 5.813 1.00 0.00 O ATOM 804 CB GLN A 50 2.428 -3.949 7.716 1.00 0.00 C ATOM 805 CG GLN A 50 1.997 -3.810 9.177 1.00 0.00 C ATOM 806 CD GLN A 50 2.155 -5.157 9.886 1.00 0.00 C ATOM 807 OE1 GLN A 50 1.865 -6.192 9.319 1.00 0.00 O ATOM 808 NE2 GLN A 50 2.603 -5.188 11.111 1.00 0.00 N ATOM 0 H GLN A 50 4.175 -2.271 8.312 1.00 0.00 H new ATOM 0 HA GLN A 50 4.126 -5.151 8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.230 -3.022 7.178 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.847 -4.732 7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.601 -3.052 9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.960 -3.478 9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.846 -4.319 11.587 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.710 -6.081 11.593 1.00 0.00 H new ATOM 817 N LEU A 51 4.554 -3.594 5.415 1.00 0.00 N ATOM 818 CA LEU A 51 4.944 -3.838 3.997 1.00 0.00 C ATOM 819 C LEU A 51 6.248 -4.637 3.956 1.00 0.00 C ATOM 820 O LEU A 51 6.380 -5.591 3.215 1.00 0.00 O ATOM 821 CB LEU A 51 5.143 -2.499 3.284 1.00 0.00 C ATOM 822 CG LEU A 51 5.589 -2.749 1.843 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.539 -3.596 1.123 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.745 -1.409 1.119 1.00 0.00 C ATOM 0 H LEU A 51 4.500 -2.613 5.688 1.00 0.00 H new ATOM 0 HA LEU A 51 4.157 -4.402 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.215 -1.928 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.890 -1.903 3.809 1.00 0.00 H new ATOM 0 HG LEU A 51 6.543 -3.277 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.857 -3.774 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.425 -4.550 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.585 -3.069 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.063 -1.585 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.791 -0.883 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.493 -0.804 1.631 1.00 0.00 H new ATOM 836 N ALA A 52 7.213 -4.256 4.747 1.00 0.00 N ATOM 837 CA ALA A 52 8.508 -4.994 4.753 1.00 0.00 C ATOM 838 C ALA A 52 8.296 -6.388 5.350 1.00 0.00 C ATOM 839 O ALA A 52 8.843 -7.365 4.876 1.00 0.00 O ATOM 840 CB ALA A 52 9.529 -4.228 5.596 1.00 0.00 C ATOM 0 H ALA A 52 7.161 -3.466 5.390 1.00 0.00 H new ATOM 0 HA ALA A 52 8.878 -5.087 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.476 -4.768 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.679 -3.235 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.160 -4.134 6.617 1.00 0.00 H new ATOM 846 N ARG A 53 7.509 -6.487 6.384 1.00 0.00 N ATOM 847 CA ARG A 53 7.264 -7.818 7.009 1.00 0.00 C ATOM 848 C ARG A 53 6.791 -8.805 5.939 1.00 0.00 C ATOM 849 O ARG A 53 7.241 -9.932 5.878 1.00 0.00 O ATOM 850 CB ARG A 53 6.189 -7.684 8.090 1.00 0.00 C ATOM 851 CG ARG A 53 6.000 -9.030 8.791 1.00 0.00 C ATOM 852 CD ARG A 53 4.941 -8.890 9.887 1.00 0.00 C ATOM 853 NE ARG A 53 4.732 -10.210 10.547 1.00 0.00 N ATOM 854 CZ ARG A 53 3.816 -11.024 10.100 1.00 0.00 C ATOM 855 NH1 ARG A 53 3.082 -10.683 9.077 1.00 0.00 N ATOM 856 NH2 ARG A 53 3.632 -12.181 10.678 1.00 0.00 N ATOM 0 H ARG A 53 7.024 -5.705 6.824 1.00 0.00 H new ATOM 0 HA ARG A 53 8.187 -8.184 7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.479 -6.922 8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.249 -7.359 7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.694 -9.788 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.944 -9.363 9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.258 -8.150 10.622 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.004 -8.533 9.459 1.00 0.00 H new ATOM 0 HE ARG A 53 5.305 -10.477 11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.224 -9.779 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.366 -11.320 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.205 -12.448 11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.916 -12.818 10.328 1.00 0.00 H new ATOM 870 N TYR A 54 5.887 -8.391 5.095 1.00 0.00 N ATOM 871 CA TYR A 54 5.397 -9.301 4.022 1.00 0.00 C ATOM 872 C TYR A 54 6.536 -9.592 3.042 1.00 0.00 C ATOM 873 O TYR A 54 6.801 -10.729 2.703 1.00 0.00 O ATOM 874 CB TYR A 54 4.239 -8.635 3.276 1.00 0.00 C ATOM 875 CG TYR A 54 3.682 -9.593 2.252 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.263 -9.674 0.980 1.00 0.00 C ATOM 877 CD2 TYR A 54 2.586 -10.402 2.573 1.00 0.00 C ATOM 878 CE1 TYR A 54 3.745 -10.563 0.030 1.00 0.00 C ATOM 879 CE2 TYR A 54 2.069 -11.291 1.624 1.00 0.00 C ATOM 880 CZ TYR A 54 2.649 -11.372 0.352 1.00 0.00 C ATOM 881 OH TYR A 54 2.139 -12.249 -0.585 1.00 0.00 O ATOM 0 H TYR A 54 5.466 -7.462 5.102 1.00 0.00 H new ATOM 0 HA TYR A 54 5.052 -10.235 4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.459 -8.344 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.584 -7.724 2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.110 -9.051 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.139 -10.340 3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.191 -10.624 -0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.223 -11.914 1.873 1.00 0.00 H new ATOM 0 HH TYR A 54 1.381 -12.735 -0.199 1.00 0.00 H new ATOM 891 N LEU A 55 7.210 -8.575 2.583 1.00 0.00 N ATOM 892 CA LEU A 55 8.334 -8.795 1.630 1.00 0.00 C ATOM 893 C LEU A 55 9.587 -9.206 2.406 1.00 0.00 C ATOM 894 O LEU A 55 10.656 -9.355 1.847 1.00 0.00 O ATOM 895 CB LEU A 55 8.613 -7.501 0.861 1.00 0.00 C ATOM 896 CG LEU A 55 7.424 -7.181 -0.046 1.00 0.00 C ATOM 897 CD1 LEU A 55 7.615 -5.797 -0.669 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.332 -8.230 -1.156 1.00 0.00 C ATOM 0 H LEU A 55 7.031 -7.601 2.826 1.00 0.00 H new ATOM 0 HA LEU A 55 8.065 -9.584 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.784 -6.681 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.520 -7.607 0.266 1.00 0.00 H new ATOM 0 HG LEU A 55 6.506 -7.192 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.768 -5.569 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.681 -5.048 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.533 -5.786 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.485 -8.002 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.250 -8.219 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.196 -9.217 -0.714 1.00 0.00 H new ATOM 910 N GLY A 56 9.465 -9.391 3.692 1.00 0.00 N ATOM 911 CA GLY A 56 10.649 -9.794 4.503 1.00 0.00 C ATOM 912 C GLY A 56 11.736 -8.724 4.389 1.00 0.00 C ATOM 913 O GLY A 56 11.964 -7.957 5.301 1.00 0.00 O ATOM 0 H GLY A 56 8.597 -9.281 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.361 -9.925 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.031 -10.754 4.155 1.00 0.00 H new ATOM 917 N GLY A 57 12.410 -8.666 3.272 1.00 0.00 N ATOM 918 CA GLY A 57 13.486 -7.650 3.102 1.00 0.00 C ATOM 919 C GLY A 57 14.159 -7.838 1.742 1.00 0.00 C ATOM 920 O GLY A 57 15.356 -7.685 1.604 1.00 0.00 O ATOM 0 H GLY A 57 12.261 -9.279 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.067 -6.646 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.222 -7.748 3.900 1.00 0.00 H new ATOM 924 N SER A 58 13.399 -8.171 0.735 1.00 0.00 N ATOM 925 CA SER A 58 13.997 -8.368 -0.617 1.00 0.00 C ATOM 926 C SER A 58 13.910 -7.061 -1.408 1.00 0.00 C ATOM 927 O SER A 58 14.197 -7.017 -2.588 1.00 0.00 O ATOM 928 CB SER A 58 13.231 -9.463 -1.358 1.00 0.00 C ATOM 929 OG SER A 58 11.918 -9.006 -1.648 1.00 0.00 O ATOM 0 H SER A 58 12.391 -8.315 0.789 1.00 0.00 H new ATOM 0 HA SER A 58 15.042 -8.662 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.749 -9.724 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.188 -10.367 -0.750 1.00 0.00 H new ATOM 0 HG SER A 58 11.426 -9.706 -2.125 1.00 0.00 H new ATOM 935 N MET A 59 13.515 -5.994 -0.767 1.00 0.00 N ATOM 936 CA MET A 59 13.405 -4.693 -1.485 1.00 0.00 C ATOM 937 C MET A 59 13.769 -3.553 -0.534 1.00 0.00 C ATOM 938 O MET A 59 13.408 -3.559 0.627 1.00 0.00 O ATOM 939 CB MET A 59 11.970 -4.504 -1.982 1.00 0.00 C ATOM 940 CG MET A 59 11.670 -5.527 -3.079 1.00 0.00 C ATOM 941 SD MET A 59 9.947 -5.358 -3.607 1.00 0.00 S ATOM 942 CE MET A 59 10.110 -3.738 -4.396 1.00 0.00 C ATOM 0 H MET A 59 13.264 -5.968 0.221 1.00 0.00 H new ATOM 0 HA MET A 59 14.087 -4.689 -2.335 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.269 -4.625 -1.156 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.838 -3.493 -2.367 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.338 -5.374 -3.927 1.00 0.00 H new ATOM 0 HG3 MET A 59 11.851 -6.536 -2.709 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.584 -3.744 -5.351 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.680 -2.973 -3.749 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.165 -3.520 -4.564 1.00 0.00 H new ATOM 952 N ASP A 60 14.484 -2.571 -1.013 1.00 0.00 N ATOM 953 CA ASP A 60 14.862 -1.427 -0.137 1.00 0.00 C ATOM 954 C ASP A 60 13.686 -0.453 -0.033 1.00 0.00 C ATOM 955 O ASP A 60 13.497 0.398 -0.880 1.00 0.00 O ATOM 956 CB ASP A 60 16.072 -0.706 -0.734 1.00 0.00 C ATOM 957 CG ASP A 60 15.757 -0.284 -2.170 1.00 0.00 C ATOM 958 OD1 ASP A 60 14.721 -0.688 -2.672 1.00 0.00 O ATOM 959 OD2 ASP A 60 16.558 0.437 -2.744 1.00 0.00 O ATOM 0 H ASP A 60 14.822 -2.512 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 60 15.114 -1.798 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.321 0.169 -0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.943 -1.361 -0.719 1.00 0.00 H new ATOM 964 N LEU A 61 12.896 -0.570 0.997 1.00 0.00 N ATOM 965 CA LEU A 61 11.725 0.339 1.146 1.00 0.00 C ATOM 966 C LEU A 61 12.105 1.517 2.043 1.00 0.00 C ATOM 967 O LEU A 61 11.315 2.410 2.280 1.00 0.00 O ATOM 968 CB LEU A 61 10.560 -0.427 1.777 1.00 0.00 C ATOM 969 CG LEU A 61 10.179 -1.607 0.880 1.00 0.00 C ATOM 970 CD1 LEU A 61 9.077 -2.426 1.553 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.674 -1.082 -0.465 1.00 0.00 C ATOM 0 H LEU A 61 13.010 -1.256 1.743 1.00 0.00 H new ATOM 0 HA LEU A 61 11.427 0.710 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.840 -0.785 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.704 0.235 1.908 1.00 0.00 H new ATOM 0 HG LEU A 61 11.053 -2.238 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.806 -3.266 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.436 -2.800 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.202 -1.796 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.402 -1.922 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.800 -0.451 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.459 -0.499 -0.946 1.00 0.00 H new ATOM 983 N SER A 62 13.309 1.530 2.544 1.00 0.00 N ATOM 984 CA SER A 62 13.741 2.654 3.421 1.00 0.00 C ATOM 985 C SER A 62 13.509 3.984 2.699 1.00 0.00 C ATOM 986 O SER A 62 13.263 5.001 3.315 1.00 0.00 O ATOM 987 CB SER A 62 15.227 2.506 3.747 1.00 0.00 C ATOM 988 OG SER A 62 15.621 3.548 4.632 1.00 0.00 O ATOM 0 H SER A 62 14.013 0.810 2.384 1.00 0.00 H new ATOM 0 HA SER A 62 13.162 2.635 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.416 1.535 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.818 2.548 2.832 1.00 0.00 H new ATOM 0 HG SER A 62 16.573 3.455 4.844 1.00 0.00 H new ATOM 994 N THR A 63 13.585 3.982 1.396 1.00 0.00 N ATOM 995 CA THR A 63 13.370 5.245 0.636 1.00 0.00 C ATOM 996 C THR A 63 12.010 5.196 -0.063 1.00 0.00 C ATOM 997 O THR A 63 11.749 5.938 -0.989 1.00 0.00 O ATOM 998 CB THR A 63 14.474 5.405 -0.409 1.00 0.00 C ATOM 999 OG1 THR A 63 14.380 4.354 -1.362 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.841 5.354 0.276 1.00 0.00 C ATOM 0 H THR A 63 13.787 3.161 0.826 1.00 0.00 H new ATOM 0 HA THR A 63 13.394 6.090 1.323 1.00 0.00 H new ATOM 0 HB THR A 63 14.359 6.364 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 63 15.087 4.457 -2.033 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.627 5.468 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.913 6.161 1.005 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.959 4.396 0.783 1.00 0.00 H new ATOM 1008 N PHE A 64 11.139 4.327 0.374 1.00 0.00 N ATOM 1009 CA PHE A 64 9.799 4.227 -0.269 1.00 0.00 C ATOM 1010 C PHE A 64 8.835 5.206 0.404 1.00 0.00 C ATOM 1011 O PHE A 64 8.647 5.179 1.604 1.00 0.00 O ATOM 1012 CB PHE A 64 9.264 2.801 -0.119 1.00 0.00 C ATOM 1013 CG PHE A 64 7.787 2.780 -0.425 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.322 3.246 -1.662 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.881 2.296 0.525 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.952 3.228 -1.946 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.510 2.277 0.241 1.00 0.00 C ATOM 1018 CZ PHE A 64 5.046 2.743 -0.995 1.00 0.00 C ATOM 0 H PHE A 64 11.298 3.682 1.148 1.00 0.00 H new ATOM 0 HA PHE A 64 9.886 4.472 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.795 2.130 -0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.441 2.440 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.021 3.619 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.239 1.937 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.593 3.588 -2.899 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.811 1.903 0.975 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.989 2.728 -1.215 1.00 0.00 H new ATOM 1028 N ASP A 65 8.222 6.069 -0.359 1.00 0.00 N ATOM 1029 CA ASP A 65 7.279 7.055 0.239 1.00 0.00 C ATOM 1030 C ASP A 65 5.930 6.379 0.496 1.00 0.00 C ATOM 1031 O ASP A 65 5.234 5.995 -0.423 1.00 0.00 O ATOM 1032 CB ASP A 65 7.087 8.229 -0.724 1.00 0.00 C ATOM 1033 CG ASP A 65 8.406 8.989 -0.872 1.00 0.00 C ATOM 1034 OD1 ASP A 65 9.434 8.419 -0.548 1.00 0.00 O ATOM 1035 OD2 ASP A 65 8.364 10.127 -1.306 1.00 0.00 O ATOM 0 H ASP A 65 8.334 6.134 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 65 7.687 7.422 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.754 7.865 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.310 8.896 -0.350 1.00 0.00 H new ATOM 1040 N PHE A 66 5.556 6.231 1.737 1.00 0.00 N ATOM 1041 CA PHE A 66 4.255 5.576 2.051 1.00 0.00 C ATOM 1042 C PHE A 66 3.118 6.580 1.851 1.00 0.00 C ATOM 1043 O PHE A 66 2.080 6.257 1.309 1.00 0.00 O ATOM 1044 CB PHE A 66 4.262 5.097 3.503 1.00 0.00 C ATOM 1045 CG PHE A 66 3.021 4.279 3.770 1.00 0.00 C ATOM 1046 CD1 PHE A 66 3.021 2.903 3.514 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.871 4.898 4.272 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.870 2.146 3.761 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.719 4.139 4.519 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.720 2.764 4.263 1.00 0.00 C ATOM 0 H PHE A 66 6.095 6.535 2.547 1.00 0.00 H new ATOM 0 HA PHE A 66 4.108 4.723 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.153 4.499 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.299 5.951 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.909 2.426 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.871 5.960 4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.870 1.084 3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.169 4.616 4.907 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.168 2.179 4.453 1.00 0.00 H new ATOM 1060 N ARG A 67 3.305 7.798 2.283 1.00 0.00 N ATOM 1061 CA ARG A 67 2.231 8.818 2.126 1.00 0.00 C ATOM 1062 C ARG A 67 1.962 9.050 0.637 1.00 0.00 C ATOM 1063 O ARG A 67 0.831 9.194 0.217 1.00 0.00 O ATOM 1064 CB ARG A 67 2.674 10.130 2.775 1.00 0.00 C ATOM 1065 CG ARG A 67 3.079 9.870 4.227 1.00 0.00 C ATOM 1066 CD ARG A 67 1.830 9.577 5.062 1.00 0.00 C ATOM 1067 NE ARG A 67 2.189 9.565 6.508 1.00 0.00 N ATOM 1068 CZ ARG A 67 2.584 8.459 7.073 1.00 0.00 C ATOM 1069 NH1 ARG A 67 2.663 7.359 6.374 1.00 0.00 N ATOM 1070 NH2 ARG A 67 2.898 8.449 8.340 1.00 0.00 N ATOM 0 H ARG A 67 4.156 8.130 2.738 1.00 0.00 H new ATOM 0 HA ARG A 67 1.320 8.464 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.512 10.556 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.864 10.858 2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.769 9.028 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.604 10.736 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.068 10.332 4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.405 8.616 4.774 1.00 0.00 H new ATOM 0 HE ARG A 67 2.126 10.423 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.415 7.365 5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.972 6.494 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.834 9.307 8.888 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.207 7.583 8.782 1.00 0.00 H new ATOM 1084 N THR A 68 2.992 9.087 -0.162 1.00 0.00 N ATOM 1085 CA THR A 68 2.795 9.312 -1.623 1.00 0.00 C ATOM 1086 C THR A 68 2.814 7.968 -2.353 1.00 0.00 C ATOM 1087 O THR A 68 2.436 7.870 -3.502 1.00 0.00 O ATOM 1088 CB THR A 68 3.920 10.201 -2.158 1.00 0.00 C ATOM 1089 OG1 THR A 68 5.135 9.464 -2.179 1.00 0.00 O ATOM 1090 CG2 THR A 68 4.078 11.427 -1.257 1.00 0.00 C ATOM 0 H THR A 68 3.962 8.971 0.133 1.00 0.00 H new ATOM 0 HA THR A 68 1.835 9.801 -1.790 1.00 0.00 H new ATOM 0 HB THR A 68 3.676 10.527 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.856 10.032 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.880 12.059 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.146 11.992 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.321 11.105 -0.244 1.00 0.00 H new ATOM 1098 N GLY A 69 3.254 6.930 -1.694 1.00 0.00 N ATOM 1099 CA GLY A 69 3.300 5.595 -2.352 1.00 0.00 C ATOM 1100 C GLY A 69 4.239 5.652 -3.559 1.00 0.00 C ATOM 1101 O GLY A 69 3.964 5.089 -4.600 1.00 0.00 O ATOM 0 H GLY A 69 3.583 6.950 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.645 4.841 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.300 5.300 -2.670 1.00 0.00 H new ATOM 1105 N LYS A 70 5.348 6.328 -3.429 1.00 0.00 N ATOM 1106 CA LYS A 70 6.299 6.427 -4.572 1.00 0.00 C ATOM 1107 C LYS A 70 7.701 6.035 -4.103 1.00 0.00 C ATOM 1108 O LYS A 70 8.060 6.230 -2.959 1.00 0.00 O ATOM 1109 CB LYS A 70 6.318 7.864 -5.096 1.00 0.00 C ATOM 1110 CG LYS A 70 4.962 8.201 -5.715 1.00 0.00 C ATOM 1111 CD LYS A 70 4.974 9.645 -6.221 1.00 0.00 C ATOM 1112 CE LYS A 70 3.624 9.975 -6.859 1.00 0.00 C ATOM 1113 NZ LYS A 70 3.627 11.390 -7.326 1.00 0.00 N ATOM 0 H LYS A 70 5.636 6.816 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 70 5.982 5.755 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.540 8.555 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.107 7.981 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.746 7.519 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.171 8.070 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.175 10.329 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.774 9.780 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.432 9.305 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.822 9.821 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.709 11.614 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.791 12.022 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.383 11.522 -8.028 1.00 0.00 H new ATOM 1127 N MET A 71 8.497 5.485 -4.978 1.00 0.00 N ATOM 1128 CA MET A 71 9.879 5.087 -4.582 1.00 0.00 C ATOM 1129 C MET A 71 10.851 6.219 -4.922 1.00 0.00 C ATOM 1130 O MET A 71 11.088 6.522 -6.073 1.00 0.00 O ATOM 1131 CB MET A 71 10.282 3.821 -5.343 1.00 0.00 C ATOM 1132 CG MET A 71 11.670 3.372 -4.884 1.00 0.00 C ATOM 1133 SD MET A 71 12.065 1.773 -5.635 1.00 0.00 S ATOM 1134 CE MET A 71 11.463 0.732 -4.283 1.00 0.00 C ATOM 0 H MET A 71 8.251 5.294 -5.949 1.00 0.00 H new ATOM 0 HA MET A 71 9.910 4.891 -3.510 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.554 3.029 -5.165 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.287 4.014 -6.416 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.416 4.114 -5.168 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.697 3.292 -3.797 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.611 -0.317 -4.538 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.013 0.965 -3.371 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.401 0.920 -4.124 1.00 0.00 H new ATOM 1144 N LEU A 72 11.419 6.843 -3.926 1.00 0.00 N ATOM 1145 CA LEU A 72 12.373 7.956 -4.191 1.00 0.00 C ATOM 1146 C LEU A 72 13.413 7.501 -5.219 1.00 0.00 C ATOM 1147 CB LEU A 72 13.080 8.343 -2.890 1.00 0.00 C ATOM 1148 CG LEU A 72 13.462 9.824 -2.939 1.00 0.00 C ATOM 1149 CD1 LEU A 72 14.258 10.105 -4.214 1.00 0.00 C ATOM 1150 CD2 LEU A 72 12.192 10.677 -2.932 1.00 0.00 C ATOM 0 H LEU A 72 11.263 6.630 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 72 11.828 8.817 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.427 8.153 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.971 7.731 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 72 14.072 10.071 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.530 11.160 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.163 9.497 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 72 13.650 9.859 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.462 11.732 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.583 10.430 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.625 10.478 -2.023 1.00 0.00 H new