USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 CYS SG : rot 41:sc= -0.192 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.809 USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.11 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.919 USER MOD Single : A 31 SER OG : rot 44:sc= 0.142 USER MOD Single : A 33 THR OG1 : rot -160:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 111:sc= -0.731 USER MOD Single : A 36 GLN : amide:sc= -0.49 K(o=-0.49,f=-4!) USER MOD Single : A 37 SER OG : rot -135:sc= 0.325 USER MOD Single : A 39 THR OG1 : rot -35:sc= 0.62 USER MOD Single : A 45 SER OG : rot 180:sc= -0.392 USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0981) USER MOD Single : A 50 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 52 TYR OH : rot 39:sc= 0 USER MOD Single : A 57 CYS SG : rot 152:sc= 1.23 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.043 10.272 9.510 1.00 0.00 N ATOM 56 CA TRP A 5 -2.772 9.495 9.422 1.00 0.00 C ATOM 57 C TRP A 5 -2.364 9.000 10.813 1.00 0.00 C ATOM 58 O TRP A 5 -2.412 9.733 11.782 1.00 0.00 O ATOM 59 CB TRP A 5 -1.740 10.488 8.887 1.00 0.00 C ATOM 60 CG TRP A 5 -1.700 10.418 7.393 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.275 11.311 6.557 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.059 9.419 6.546 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.029 10.927 5.252 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.283 9.766 5.193 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.314 8.258 6.819 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.784 8.989 4.146 1.00 0.00 C ATOM 67 CZ3 TRP A 5 0.189 7.473 5.767 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.046 7.839 4.434 1.00 0.00 C ATOM 0 HA TRP A 5 -2.865 8.617 8.782 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.994 11.499 9.207 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.756 10.261 9.298 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.836 12.183 6.859 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.358 11.438 4.433 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.127 7.968 7.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.967 9.275 3.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.760 6.583 5.987 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.344 7.232 3.630 1.00 0.00 H new ATOM 79 N LEU A 6 -1.968 7.761 10.917 1.00 0.00 N ATOM 80 CA LEU A 6 -1.559 7.211 12.243 1.00 0.00 C ATOM 81 C LEU A 6 -0.074 6.843 12.227 1.00 0.00 C ATOM 82 O LEU A 6 0.522 6.681 11.183 1.00 0.00 O ATOM 83 CB LEU A 6 -2.421 5.962 12.436 1.00 0.00 C ATOM 84 CG LEU A 6 -3.899 6.356 12.447 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.765 5.095 12.409 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.206 7.146 13.721 1.00 0.00 C ATOM 0 H LEU A 6 -1.910 7.103 10.140 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.698 7.930 13.050 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.230 5.249 11.634 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.159 5.468 13.371 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.117 6.972 11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.818 5.376 12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.547 4.531 11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.548 4.478 13.281 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.259 7.427 13.730 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.988 6.529 14.593 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.590 8.045 13.749 1.00 0.00 H new ATOM 98 N ASP A 7 0.529 6.715 13.377 1.00 0.00 N ATOM 99 CA ASP A 7 1.977 6.358 13.428 1.00 0.00 C ATOM 100 C ASP A 7 2.192 4.939 12.891 1.00 0.00 C ATOM 101 O ASP A 7 1.259 4.263 12.504 1.00 0.00 O ATOM 102 CB ASP A 7 2.353 6.431 14.909 1.00 0.00 C ATOM 103 CG ASP A 7 2.187 7.868 15.407 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.102 8.197 15.857 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.149 8.614 15.331 1.00 0.00 O ATOM 0 H ASP A 7 0.082 6.842 14.285 1.00 0.00 H new ATOM 0 HA ASP A 7 2.587 7.025 12.819 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.721 5.758 15.489 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.383 6.102 15.050 1.00 0.00 H new ATOM 110 N CYS A 8 3.417 4.486 12.867 1.00 0.00 N ATOM 111 CA CYS A 8 3.703 3.113 12.357 1.00 0.00 C ATOM 112 C CYS A 8 4.988 2.575 13.003 1.00 0.00 C ATOM 113 O CYS A 8 6.066 2.740 12.467 1.00 0.00 O ATOM 114 CB CYS A 8 3.886 3.285 10.849 1.00 0.00 C ATOM 115 SG CYS A 8 4.187 1.669 10.087 1.00 0.00 S ATOM 0 H CYS A 8 4.235 5.009 13.180 1.00 0.00 H new ATOM 0 HA CYS A 8 2.908 2.404 12.590 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.998 3.744 10.414 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.722 3.955 10.648 1.00 0.00 H new ATOM 0 HG CYS A 8 3.412 0.780 10.634 1.00 0.00 H new ATOM 121 N PRO A 9 4.827 1.948 14.140 1.00 0.00 N ATOM 122 CA PRO A 9 5.989 1.381 14.873 1.00 0.00 C ATOM 123 C PRO A 9 6.531 0.127 14.188 1.00 0.00 C ATOM 124 O PRO A 9 7.529 -0.429 14.605 1.00 0.00 O ATOM 125 CB PRO A 9 5.412 1.015 16.234 1.00 0.00 C ATOM 126 CG PRO A 9 3.950 0.820 15.999 1.00 0.00 C ATOM 127 CD PRO A 9 3.561 1.710 14.848 1.00 0.00 C ATOM 0 HA PRO A 9 6.822 2.083 14.922 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.872 0.108 16.626 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.592 1.805 16.963 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.733 -0.223 15.769 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.379 1.075 16.892 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.826 1.229 14.202 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.117 2.642 15.197 1.00 0.00 H new ATOM 135 N ALA A 10 5.882 -0.339 13.160 1.00 0.00 N ATOM 136 CA ALA A 10 6.366 -1.574 12.481 1.00 0.00 C ATOM 137 C ALA A 10 7.808 -1.407 11.991 1.00 0.00 C ATOM 138 O ALA A 10 8.492 -2.376 11.725 1.00 0.00 O ATOM 139 CB ALA A 10 5.421 -1.778 11.295 1.00 0.00 C ATOM 0 H ALA A 10 5.041 0.078 12.761 1.00 0.00 H new ATOM 0 HA ALA A 10 6.367 -2.427 13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.715 -2.672 10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.400 -1.896 11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.473 -0.912 10.635 1.00 0.00 H new ATOM 145 N LEU A 11 8.276 -0.196 11.860 1.00 0.00 N ATOM 146 CA LEU A 11 9.674 0.011 11.380 1.00 0.00 C ATOM 147 C LEU A 11 10.385 1.060 12.239 1.00 0.00 C ATOM 148 O LEU A 11 11.375 0.778 12.885 1.00 0.00 O ATOM 149 CB LEU A 11 9.522 0.503 9.941 1.00 0.00 C ATOM 150 CG LEU A 11 9.063 -0.658 9.054 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.841 -0.228 8.238 1.00 0.00 C ATOM 152 CD2 LEU A 11 10.196 -1.054 8.104 1.00 0.00 C ATOM 0 H LEU A 11 7.754 0.657 12.063 1.00 0.00 H new ATOM 0 HA LEU A 11 10.272 -0.898 11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.798 1.317 9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.470 0.900 9.578 1.00 0.00 H new ATOM 0 HG LEU A 11 8.799 -1.510 9.681 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.515 -1.055 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.033 0.053 8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.103 0.625 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.869 -1.880 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.461 -0.202 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.066 -1.362 8.684 1.00 0.00 H new ATOM 164 N GLY A 12 9.889 2.267 12.248 1.00 0.00 N ATOM 165 CA GLY A 12 10.535 3.336 13.062 1.00 0.00 C ATOM 166 C GLY A 12 9.540 4.478 13.281 1.00 0.00 C ATOM 167 O GLY A 12 8.392 4.378 12.893 1.00 0.00 O ATOM 0 H GLY A 12 9.063 2.560 11.726 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.859 2.932 14.021 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.426 3.707 12.555 1.00 0.00 H new ATOM 171 N PRO A 13 10.010 5.536 13.897 1.00 0.00 N ATOM 172 CA PRO A 13 9.140 6.704 14.160 1.00 0.00 C ATOM 173 C PRO A 13 9.059 7.617 12.933 1.00 0.00 C ATOM 174 O PRO A 13 8.760 8.790 13.038 1.00 0.00 O ATOM 175 CB PRO A 13 9.841 7.411 15.315 1.00 0.00 C ATOM 176 CG PRO A 13 11.285 7.013 15.216 1.00 0.00 C ATOM 177 CD PRO A 13 11.370 5.740 14.405 1.00 0.00 C ATOM 0 HA PRO A 13 8.112 6.424 14.389 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.727 8.492 15.240 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.417 7.111 16.273 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.866 7.805 14.743 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.706 6.859 16.210 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.088 5.836 13.590 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.695 4.900 15.019 1.00 0.00 H new ATOM 185 N GLY A 14 9.314 7.083 11.772 1.00 0.00 N ATOM 186 CA GLY A 14 9.247 7.905 10.531 1.00 0.00 C ATOM 187 C GLY A 14 8.087 7.411 9.664 1.00 0.00 C ATOM 188 O GLY A 14 7.572 8.131 8.830 1.00 0.00 O ATOM 0 H GLY A 14 9.568 6.106 11.628 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.106 8.956 10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.185 7.832 9.981 1.00 0.00 H new ATOM 192 N TRP A 15 7.697 6.174 9.831 1.00 0.00 N ATOM 193 CA TRP A 15 6.598 5.610 8.993 1.00 0.00 C ATOM 194 C TRP A 15 5.227 6.114 9.442 1.00 0.00 C ATOM 195 O TRP A 15 5.025 6.484 10.582 1.00 0.00 O ATOM 196 CB TRP A 15 6.694 4.098 9.186 1.00 0.00 C ATOM 197 CG TRP A 15 7.751 3.556 8.284 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.069 3.510 8.576 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.606 2.986 6.952 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.745 2.956 7.506 1.00 0.00 N ATOM 201 CE2 TRP A 15 8.885 2.613 6.483 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.499 2.759 6.114 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.064 2.037 5.226 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.675 2.178 4.849 1.00 0.00 C ATOM 205 CH2 TRP A 15 7.957 1.819 4.407 1.00 0.00 C ATOM 0 H TRP A 15 8.094 5.528 10.514 1.00 0.00 H new ATOM 0 HA TRP A 15 6.702 5.910 7.950 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.931 3.866 10.224 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.735 3.629 8.965 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.521 3.851 9.496 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.755 2.818 7.476 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.509 3.033 6.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.053 1.762 4.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.819 2.006 4.213 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.087 1.373 3.432 1.00 0.00 H new ATOM 216 N LYS A 16 4.284 6.113 8.540 1.00 0.00 N ATOM 217 CA LYS A 16 2.905 6.573 8.879 1.00 0.00 C ATOM 218 C LYS A 16 1.888 5.622 8.242 1.00 0.00 C ATOM 219 O LYS A 16 2.099 5.118 7.157 1.00 0.00 O ATOM 220 CB LYS A 16 2.795 7.976 8.275 1.00 0.00 C ATOM 221 CG LYS A 16 2.454 8.985 9.374 1.00 0.00 C ATOM 222 CD LYS A 16 3.653 9.139 10.312 1.00 0.00 C ATOM 223 CE LYS A 16 3.733 10.585 10.807 1.00 0.00 C ATOM 224 NZ LYS A 16 4.633 10.537 11.992 1.00 0.00 N ATOM 0 H LYS A 16 4.410 5.811 7.574 1.00 0.00 H new ATOM 0 HA LYS A 16 2.711 6.587 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.734 8.250 7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.026 7.991 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.198 9.948 8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.581 8.649 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.556 8.459 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.572 8.871 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.131 11.245 10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.747 10.966 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.737 11.493 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.226 9.907 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.566 10.177 11.705 1.00 0.00 H new ATOM 238 N ARG A 17 0.795 5.359 8.907 1.00 0.00 N ATOM 239 CA ARG A 17 -0.222 4.428 8.335 1.00 0.00 C ATOM 240 C ARG A 17 -1.575 5.128 8.169 1.00 0.00 C ATOM 241 O ARG A 17 -2.047 5.822 9.048 1.00 0.00 O ATOM 242 CB ARG A 17 -0.328 3.287 9.354 1.00 0.00 C ATOM 243 CG ARG A 17 -1.512 2.382 8.991 1.00 0.00 C ATOM 244 CD ARG A 17 -1.275 0.972 9.536 1.00 0.00 C ATOM 245 NE ARG A 17 -1.183 1.138 11.013 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.267 1.294 11.721 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.079 0.289 11.902 1.00 0.00 N ATOM 248 NH2 ARG A 17 -2.541 2.456 12.249 1.00 0.00 N ATOM 0 H ARG A 17 0.562 5.748 9.821 1.00 0.00 H new ATOM 0 HA ARG A 17 0.063 4.073 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.596 2.708 9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.461 3.693 10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.434 2.791 9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.636 2.347 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.091 0.302 9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.360 0.541 9.130 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.272 1.130 11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.866 -0.619 11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.927 0.412 12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.907 3.243 12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.389 2.577 12.803 1.00 0.00 H new ATOM 262 N ARG A 18 -2.203 4.930 7.043 1.00 0.00 N ATOM 263 CA ARG A 18 -3.533 5.550 6.787 1.00 0.00 C ATOM 264 C ARG A 18 -4.499 4.472 6.283 1.00 0.00 C ATOM 265 O ARG A 18 -4.160 3.680 5.424 1.00 0.00 O ATOM 266 CB ARG A 18 -3.280 6.602 5.705 1.00 0.00 C ATOM 267 CG ARG A 18 -4.607 7.232 5.277 1.00 0.00 C ATOM 268 CD ARG A 18 -4.336 8.477 4.428 1.00 0.00 C ATOM 269 NE ARG A 18 -3.678 7.967 3.194 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.345 7.917 2.072 1.00 0.00 C ATOM 271 NH1 ARG A 18 -5.073 8.933 1.701 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.283 6.849 1.323 1.00 0.00 N ATOM 0 H ARG A 18 -1.846 4.357 6.279 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.974 5.996 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.606 7.371 6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.790 6.143 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.195 6.513 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.194 7.500 6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.261 9.003 4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.693 9.182 4.955 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.707 7.657 3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.122 9.767 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.594 8.894 0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.714 6.054 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.804 6.810 0.447 1.00 0.00 H new ATOM 286 N GLU A 19 -5.693 4.425 6.811 1.00 0.00 N ATOM 287 CA GLU A 19 -6.663 3.385 6.359 1.00 0.00 C ATOM 288 C GLU A 19 -7.650 3.978 5.349 1.00 0.00 C ATOM 289 O GLU A 19 -8.022 5.132 5.434 1.00 0.00 O ATOM 290 CB GLU A 19 -7.391 2.936 7.629 1.00 0.00 C ATOM 291 CG GLU A 19 -7.112 1.453 7.884 1.00 0.00 C ATOM 292 CD GLU A 19 -8.017 0.949 9.010 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.145 0.586 8.718 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.567 0.933 10.143 1.00 0.00 O ATOM 0 H GLU A 19 -6.038 5.058 7.532 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.168 2.552 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.059 3.530 8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.463 3.102 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.289 0.877 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.065 1.310 8.153 1.00 0.00 H new ATOM 301 N VAL A 20 -8.071 3.194 4.393 1.00 0.00 N ATOM 302 CA VAL A 20 -9.031 3.705 3.371 1.00 0.00 C ATOM 303 C VAL A 20 -10.203 2.731 3.217 1.00 0.00 C ATOM 304 O VAL A 20 -10.065 1.672 2.636 1.00 0.00 O ATOM 305 CB VAL A 20 -8.233 3.782 2.067 1.00 0.00 C ATOM 306 CG1 VAL A 20 -9.040 4.548 1.019 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.907 4.505 2.314 1.00 0.00 C ATOM 0 H VAL A 20 -7.791 2.220 4.275 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.448 4.673 3.650 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.033 2.772 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.472 4.603 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.983 4.032 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.242 5.556 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.342 4.557 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.105 5.514 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.328 3.959 3.059 1.00 0.00 H new ATOM 317 N PHE A 21 -11.354 3.076 3.727 1.00 0.00 N ATOM 318 CA PHE A 21 -12.530 2.163 3.604 1.00 0.00 C ATOM 319 C PHE A 21 -13.217 2.358 2.249 1.00 0.00 C ATOM 320 O PHE A 21 -14.418 2.526 2.172 1.00 0.00 O ATOM 321 CB PHE A 21 -13.466 2.570 4.743 1.00 0.00 C ATOM 322 CG PHE A 21 -14.127 1.339 5.316 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.373 0.419 6.054 1.00 0.00 C ATOM 324 CD2 PHE A 21 -15.494 1.117 5.107 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.986 -0.722 6.585 1.00 0.00 C ATOM 326 CE2 PHE A 21 -16.107 -0.024 5.638 1.00 0.00 C ATOM 327 CZ PHE A 21 -15.353 -0.943 6.376 1.00 0.00 C ATOM 0 H PHE A 21 -11.532 3.949 4.223 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.244 1.113 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.906 3.090 5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.222 3.264 4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.319 0.589 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -16.075 1.826 4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.405 -1.431 7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -17.161 -0.195 5.478 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.826 -1.824 6.785 1.00 0.00 H new ATOM 337 N ARG A 22 -12.461 2.327 1.179 1.00 0.00 N ATOM 338 CA ARG A 22 -13.052 2.504 -0.182 1.00 0.00 C ATOM 339 C ARG A 22 -13.981 3.724 -0.227 1.00 0.00 C ATOM 340 O ARG A 22 -14.166 4.419 0.753 1.00 0.00 O ATOM 341 CB ARG A 22 -13.842 1.225 -0.434 1.00 0.00 C ATOM 342 CG ARG A 22 -12.987 0.246 -1.239 1.00 0.00 C ATOM 343 CD ARG A 22 -12.912 0.704 -2.697 1.00 0.00 C ATOM 344 NE ARG A 22 -11.463 0.705 -3.024 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.817 -0.419 -3.172 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.775 -0.996 -4.340 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.208 -0.964 -2.154 1.00 0.00 N ATOM 0 H ARG A 22 -11.451 2.185 1.192 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.284 2.675 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.135 0.774 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.760 1.453 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.985 0.189 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.414 -0.755 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.464 0.030 -3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.346 1.696 -2.822 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.969 1.591 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.247 -0.569 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.270 -1.875 -4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.237 -0.511 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.704 -1.843 -2.272 1.00 0.00 H new ATOM 361 N LYS A 23 -14.564 3.986 -1.365 1.00 0.00 N ATOM 362 CA LYS A 23 -15.482 5.153 -1.488 1.00 0.00 C ATOM 363 C LYS A 23 -16.652 4.811 -2.416 1.00 0.00 C ATOM 364 O LYS A 23 -17.786 5.149 -2.140 1.00 0.00 O ATOM 365 CB LYS A 23 -14.622 6.262 -2.094 1.00 0.00 C ATOM 366 CG LYS A 23 -15.456 7.537 -2.260 1.00 0.00 C ATOM 367 CD LYS A 23 -15.984 7.629 -3.697 1.00 0.00 C ATOM 368 CE LYS A 23 -14.813 7.608 -4.685 1.00 0.00 C ATOM 369 NZ LYS A 23 -15.197 8.571 -5.756 1.00 0.00 N ATOM 0 H LYS A 23 -14.443 3.440 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.914 5.445 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.763 6.460 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.231 5.944 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.289 7.532 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.849 8.412 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.658 6.796 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.562 8.545 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.883 7.906 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.656 6.608 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.444 8.613 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.082 8.258 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.333 9.515 -5.342 1.00 0.00 H new ATOM 383 N SER A 24 -16.388 4.140 -3.515 1.00 0.00 N ATOM 384 CA SER A 24 -17.493 3.777 -4.465 1.00 0.00 C ATOM 385 C SER A 24 -16.937 3.062 -5.703 1.00 0.00 C ATOM 386 O SER A 24 -15.818 2.589 -5.714 1.00 0.00 O ATOM 387 CB SER A 24 -18.136 5.103 -4.887 1.00 0.00 C ATOM 388 OG SER A 24 -17.266 5.782 -5.782 1.00 0.00 O ATOM 0 H SER A 24 -15.458 3.829 -3.795 1.00 0.00 H new ATOM 0 HA SER A 24 -18.207 3.103 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.097 4.918 -5.366 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.330 5.722 -4.011 1.00 0.00 H new ATOM 0 HG SER A 24 -17.675 6.630 -6.055 1.00 0.00 H new ATOM 394 N GLY A 25 -17.724 2.989 -6.748 1.00 0.00 N ATOM 395 CA GLY A 25 -17.265 2.316 -7.998 1.00 0.00 C ATOM 396 C GLY A 25 -17.760 0.870 -8.014 1.00 0.00 C ATOM 397 O GLY A 25 -18.845 0.574 -8.476 1.00 0.00 O ATOM 0 H GLY A 25 -18.670 3.369 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.643 2.850 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.177 2.339 -8.057 1.00 0.00 H new ATOM 401 N ALA A 26 -16.964 -0.025 -7.508 1.00 0.00 N ATOM 402 CA ALA A 26 -17.356 -1.465 -7.474 1.00 0.00 C ATOM 403 C ALA A 26 -16.708 -2.126 -6.258 1.00 0.00 C ATOM 404 O ALA A 26 -17.318 -2.898 -5.545 1.00 0.00 O ATOM 405 CB ALA A 26 -16.796 -2.055 -8.769 1.00 0.00 C ATOM 0 H ALA A 26 -16.047 0.178 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.433 -1.615 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.042 -3.116 -8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.233 -1.538 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.713 -1.932 -8.786 1.00 0.00 H new ATOM 411 N THR A 27 -15.471 -1.797 -6.018 1.00 0.00 N ATOM 412 CA THR A 27 -14.737 -2.353 -4.851 1.00 0.00 C ATOM 413 C THR A 27 -15.192 -1.652 -3.563 1.00 0.00 C ATOM 414 O THR A 27 -14.729 -1.959 -2.483 1.00 0.00 O ATOM 415 CB THR A 27 -13.267 -2.025 -5.150 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.128 -0.629 -5.400 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.807 -2.804 -6.386 1.00 0.00 C ATOM 0 H THR A 27 -14.928 -1.153 -6.593 1.00 0.00 H new ATOM 0 HA THR A 27 -14.908 -3.420 -4.707 1.00 0.00 H new ATOM 0 HB THR A 27 -12.657 -2.306 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.771 -0.492 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.763 -2.570 -6.596 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.909 -3.873 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.421 -2.524 -7.242 1.00 0.00 H new ATOM 425 N CYS A 28 -16.085 -0.697 -3.679 1.00 0.00 N ATOM 426 CA CYS A 28 -16.574 0.055 -2.482 1.00 0.00 C ATOM 427 C CYS A 28 -16.872 -0.879 -1.305 1.00 0.00 C ATOM 428 O CYS A 28 -17.433 -1.944 -1.469 1.00 0.00 O ATOM 429 CB CYS A 28 -17.860 0.735 -2.950 1.00 0.00 C ATOM 430 SG CYS A 28 -18.451 1.858 -1.659 1.00 0.00 S ATOM 0 H CYS A 28 -16.500 -0.404 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.824 0.761 -2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.678 1.287 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.620 -0.014 -3.172 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.544 2.439 -2.056 1.00 0.00 H new ATOM 436 N GLY A 29 -16.513 -0.470 -0.115 1.00 0.00 N ATOM 437 CA GLY A 29 -16.790 -1.320 1.084 1.00 0.00 C ATOM 438 C GLY A 29 -15.512 -2.024 1.555 1.00 0.00 C ATOM 439 O GLY A 29 -15.462 -2.561 2.645 1.00 0.00 O ATOM 0 H GLY A 29 -16.041 0.413 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.189 -0.703 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.552 -2.061 0.843 1.00 0.00 H new ATOM 443 N ARG A 30 -14.482 -2.034 0.751 1.00 0.00 N ATOM 444 CA ARG A 30 -13.218 -2.712 1.168 1.00 0.00 C ATOM 445 C ARG A 30 -12.311 -1.736 1.922 1.00 0.00 C ATOM 446 O ARG A 30 -12.417 -0.534 1.773 1.00 0.00 O ATOM 447 CB ARG A 30 -12.555 -3.164 -0.134 1.00 0.00 C ATOM 448 CG ARG A 30 -13.454 -4.182 -0.838 1.00 0.00 C ATOM 449 CD ARG A 30 -12.733 -4.732 -2.072 1.00 0.00 C ATOM 450 NE ARG A 30 -13.810 -5.307 -2.923 1.00 0.00 N ATOM 451 CZ ARG A 30 -13.567 -6.349 -3.670 1.00 0.00 C ATOM 452 NH1 ARG A 30 -12.634 -6.295 -4.581 1.00 0.00 N ATOM 453 NH2 ARG A 30 -14.254 -7.446 -3.504 1.00 0.00 N ATOM 0 H ARG A 30 -14.460 -1.604 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.407 -3.550 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.382 -2.306 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.581 -3.607 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.703 -4.995 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.393 -3.713 -1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.193 -3.944 -2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.001 -5.491 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.739 -4.886 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.095 -5.439 -4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.444 -7.109 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.981 -7.489 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.064 -8.260 -4.088 1.00 0.00 H new ATOM 467 N SER A 31 -11.420 -2.246 2.731 1.00 0.00 N ATOM 468 CA SER A 31 -10.503 -1.351 3.497 1.00 0.00 C ATOM 469 C SER A 31 -9.065 -1.513 2.998 1.00 0.00 C ATOM 470 O SER A 31 -8.552 -2.610 2.895 1.00 0.00 O ATOM 471 CB SER A 31 -10.622 -1.811 4.949 1.00 0.00 C ATOM 472 OG SER A 31 -10.556 -3.230 4.999 1.00 0.00 O ATOM 0 H SER A 31 -11.288 -3.244 2.895 1.00 0.00 H new ATOM 0 HA SER A 31 -10.762 -0.299 3.381 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.821 -1.377 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.563 -1.464 5.377 1.00 0.00 H new ATOM 0 HG SER A 31 -9.842 -3.545 4.407 1.00 0.00 H new ATOM 478 N ASP A 32 -8.413 -0.425 2.689 1.00 0.00 N ATOM 479 CA ASP A 32 -7.008 -0.502 2.197 1.00 0.00 C ATOM 480 C ASP A 32 -6.081 0.270 3.136 1.00 0.00 C ATOM 481 O ASP A 32 -6.301 1.429 3.427 1.00 0.00 O ATOM 482 CB ASP A 32 -7.041 0.141 0.812 1.00 0.00 C ATOM 483 CG ASP A 32 -7.966 -0.664 -0.102 1.00 0.00 C ATOM 484 OD1 ASP A 32 -9.138 -0.772 0.221 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.488 -1.159 -1.110 1.00 0.00 O ATOM 0 H ASP A 32 -8.795 0.518 2.757 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.634 -1.525 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.391 1.171 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.036 0.175 0.391 1.00 0.00 H new ATOM 490 N THR A 33 -5.048 -0.368 3.616 1.00 0.00 N ATOM 491 CA THR A 33 -4.111 0.325 4.544 1.00 0.00 C ATOM 492 C THR A 33 -2.870 0.802 3.788 1.00 0.00 C ATOM 493 O THR A 33 -2.064 0.015 3.333 1.00 0.00 O ATOM 494 CB THR A 33 -3.734 -0.728 5.588 1.00 0.00 C ATOM 495 OG1 THR A 33 -4.884 -1.489 5.930 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.188 -0.036 6.839 1.00 0.00 C ATOM 0 H THR A 33 -4.813 -1.338 3.406 1.00 0.00 H new ATOM 0 HA THR A 33 -4.561 1.207 5.000 1.00 0.00 H new ATOM 0 HB THR A 33 -2.970 -1.389 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.740 -1.930 6.793 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.920 -0.787 7.582 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.305 0.547 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.950 0.626 7.251 1.00 0.00 H new ATOM 504 N TYR A 34 -2.715 2.091 3.658 1.00 0.00 N ATOM 505 CA TYR A 34 -1.529 2.639 2.941 1.00 0.00 C ATOM 506 C TYR A 34 -0.574 3.272 3.954 1.00 0.00 C ATOM 507 O TYR A 34 -1.000 3.825 4.946 1.00 0.00 O ATOM 508 CB TYR A 34 -2.097 3.705 2.003 1.00 0.00 C ATOM 509 CG TYR A 34 -2.897 3.052 0.899 1.00 0.00 C ATOM 510 CD1 TYR A 34 -2.244 2.566 -0.239 1.00 0.00 C ATOM 511 CD2 TYR A 34 -4.293 2.943 1.005 1.00 0.00 C ATOM 512 CE1 TYR A 34 -2.979 1.974 -1.271 1.00 0.00 C ATOM 513 CE2 TYR A 34 -5.025 2.349 -0.028 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.370 1.866 -1.167 1.00 0.00 C ATOM 515 OH TYR A 34 -5.096 1.282 -2.184 1.00 0.00 O ATOM 0 H TYR A 34 -3.362 2.792 4.019 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.972 1.876 2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.730 4.393 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.286 4.294 1.575 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.170 2.648 -0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.800 3.317 1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.473 1.600 -2.149 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.098 2.263 0.053 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.048 1.287 -1.951 1.00 0.00 H new ATOM 525 N TYR A 35 0.710 3.201 3.723 1.00 0.00 N ATOM 526 CA TYR A 35 1.665 3.809 4.700 1.00 0.00 C ATOM 527 C TYR A 35 2.815 4.505 3.969 1.00 0.00 C ATOM 528 O TYR A 35 3.186 4.130 2.876 1.00 0.00 O ATOM 529 CB TYR A 35 2.209 2.653 5.560 1.00 0.00 C ATOM 530 CG TYR A 35 1.616 1.330 5.127 1.00 0.00 C ATOM 531 CD1 TYR A 35 0.391 0.905 5.653 1.00 0.00 C ATOM 532 CD2 TYR A 35 2.297 0.529 4.202 1.00 0.00 C ATOM 533 CE1 TYR A 35 -0.154 -0.321 5.252 1.00 0.00 C ATOM 534 CE2 TYR A 35 1.752 -0.697 3.803 1.00 0.00 C ATOM 535 CZ TYR A 35 0.526 -1.122 4.328 1.00 0.00 C ATOM 536 OH TYR A 35 -0.010 -2.331 3.934 1.00 0.00 O ATOM 0 H TYR A 35 1.137 2.755 2.911 1.00 0.00 H new ATOM 0 HA TYR A 35 1.166 4.560 5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.295 2.613 5.477 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.976 2.834 6.609 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.134 1.522 6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.243 0.857 3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.100 -0.649 5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.277 -1.315 3.090 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.296 -2.273 2.999 1.00 0.00 H new ATOM 546 N GLN A 36 3.385 5.513 4.571 1.00 0.00 N ATOM 547 CA GLN A 36 4.518 6.230 3.919 1.00 0.00 C ATOM 548 C GLN A 36 5.839 5.815 4.571 1.00 0.00 C ATOM 549 O GLN A 36 5.875 5.427 5.725 1.00 0.00 O ATOM 550 CB GLN A 36 4.243 7.715 4.159 1.00 0.00 C ATOM 551 CG GLN A 36 5.285 8.559 3.415 1.00 0.00 C ATOM 552 CD GLN A 36 4.587 9.700 2.671 1.00 0.00 C ATOM 553 OE1 GLN A 36 4.986 10.063 1.582 1.00 0.00 O ATOM 554 NE2 GLN A 36 3.556 10.285 3.215 1.00 0.00 N ATOM 0 H GLN A 36 3.115 5.871 5.487 1.00 0.00 H new ATOM 0 HA GLN A 36 4.598 6.002 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.241 7.970 3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.278 7.934 5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.012 8.962 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.836 7.936 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.221 9.981 4.129 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.085 11.047 2.726 1.00 0.00 H new ATOM 563 N SER A 37 6.921 5.895 3.837 1.00 0.00 N ATOM 564 CA SER A 37 8.253 5.507 4.398 1.00 0.00 C ATOM 565 C SER A 37 8.526 6.263 5.703 1.00 0.00 C ATOM 566 O SER A 37 7.679 6.994 6.179 1.00 0.00 O ATOM 567 CB SER A 37 9.265 5.908 3.327 1.00 0.00 C ATOM 568 OG SER A 37 9.850 4.738 2.772 1.00 0.00 O ATOM 0 H SER A 37 6.939 6.214 2.868 1.00 0.00 H new ATOM 0 HA SER A 37 8.305 4.444 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.774 6.489 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.037 6.544 3.760 1.00 0.00 H new ATOM 0 HG SER A 37 10.819 4.862 2.695 1.00 0.00 H new ATOM 574 N PRO A 38 9.698 6.061 6.252 1.00 0.00 N ATOM 575 CA PRO A 38 10.049 6.734 7.513 1.00 0.00 C ATOM 576 C PRO A 38 10.495 8.173 7.265 1.00 0.00 C ATOM 577 O PRO A 38 10.425 9.005 8.149 1.00 0.00 O ATOM 578 CB PRO A 38 11.200 5.908 8.064 1.00 0.00 C ATOM 579 CG PRO A 38 11.822 5.254 6.875 1.00 0.00 C ATOM 580 CD PRO A 38 10.790 5.209 5.769 1.00 0.00 C ATOM 0 HA PRO A 38 9.203 6.795 8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.920 6.537 8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.844 5.166 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.702 5.810 6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.155 4.247 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.198 5.581 4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.448 4.190 5.586 1.00 0.00 H new ATOM 588 N THR A 39 10.977 8.482 6.088 1.00 0.00 N ATOM 589 CA THR A 39 11.440 9.881 5.857 1.00 0.00 C ATOM 590 C THR A 39 11.284 10.336 4.396 1.00 0.00 C ATOM 591 O THR A 39 11.703 11.424 4.049 1.00 0.00 O ATOM 592 CB THR A 39 12.912 9.864 6.267 1.00 0.00 C ATOM 593 OG1 THR A 39 13.459 11.167 6.125 1.00 0.00 O ATOM 594 CG2 THR A 39 13.685 8.883 5.382 1.00 0.00 C ATOM 0 H THR A 39 11.068 7.845 5.297 1.00 0.00 H new ATOM 0 HA THR A 39 10.841 10.590 6.429 1.00 0.00 H new ATOM 0 HB THR A 39 12.992 9.548 7.307 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.055 11.609 5.349 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.734 8.875 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.267 7.883 5.497 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.605 9.192 4.340 1.00 0.00 H new ATOM 602 N GLY A 40 10.679 9.554 3.533 1.00 0.00 N ATOM 603 CA GLY A 40 10.521 10.035 2.125 1.00 0.00 C ATOM 604 C GLY A 40 10.311 8.878 1.141 1.00 0.00 C ATOM 605 O GLY A 40 11.230 8.447 0.473 1.00 0.00 O ATOM 0 H GLY A 40 10.298 8.630 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.673 10.717 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.406 10.602 1.834 1.00 0.00 H new ATOM 609 N ASP A 41 9.098 8.402 1.020 1.00 0.00 N ATOM 610 CA ASP A 41 8.797 7.301 0.049 1.00 0.00 C ATOM 611 C ASP A 41 7.346 6.838 0.205 1.00 0.00 C ATOM 612 O ASP A 41 6.902 6.512 1.288 1.00 0.00 O ATOM 613 CB ASP A 41 9.757 6.152 0.374 1.00 0.00 C ATOM 614 CG ASP A 41 10.500 5.742 -0.900 1.00 0.00 C ATOM 615 OD1 ASP A 41 11.296 6.532 -1.378 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.258 4.645 -1.374 1.00 0.00 O ATOM 0 H ASP A 41 8.295 8.730 1.556 1.00 0.00 H new ATOM 0 HA ASP A 41 8.926 7.640 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.468 6.462 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.204 5.303 0.776 1.00 0.00 H new ATOM 621 N ARG A 42 6.608 6.804 -0.872 1.00 0.00 N ATOM 622 CA ARG A 42 5.187 6.358 -0.793 1.00 0.00 C ATOM 623 C ARG A 42 5.120 4.829 -0.804 1.00 0.00 C ATOM 624 O ARG A 42 5.558 4.185 -1.738 1.00 0.00 O ATOM 625 CB ARG A 42 4.516 6.939 -2.040 1.00 0.00 C ATOM 626 CG ARG A 42 3.225 7.658 -1.640 1.00 0.00 C ATOM 627 CD ARG A 42 3.565 8.918 -0.839 1.00 0.00 C ATOM 628 NE ARG A 42 3.108 10.052 -1.691 1.00 0.00 N ATOM 629 CZ ARG A 42 3.846 11.121 -1.806 1.00 0.00 C ATOM 630 NH1 ARG A 42 4.155 11.818 -0.746 1.00 0.00 N ATOM 631 NH2 ARG A 42 4.276 11.493 -2.980 1.00 0.00 N ATOM 0 H ARG A 42 6.928 7.066 -1.804 1.00 0.00 H new ATOM 0 HA ARG A 42 4.696 6.693 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.192 7.634 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.296 6.143 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.654 7.924 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.597 6.995 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.059 8.921 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.634 8.981 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 42 2.217 9.992 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.819 11.526 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.732 12.654 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.035 10.948 -3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.853 12.329 -3.070 1.00 0.00 H new ATOM 645 N ILE A 43 4.579 4.245 0.229 1.00 0.00 N ATOM 646 CA ILE A 43 4.486 2.757 0.290 1.00 0.00 C ATOM 647 C ILE A 43 3.022 2.336 0.455 1.00 0.00 C ATOM 648 O ILE A 43 2.206 3.089 0.949 1.00 0.00 O ATOM 649 CB ILE A 43 5.318 2.367 1.515 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.727 2.968 1.388 1.00 0.00 C ATOM 651 CG2 ILE A 43 5.417 0.844 1.618 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.397 2.475 0.101 1.00 0.00 C ATOM 0 H ILE A 43 4.196 4.735 1.037 1.00 0.00 H new ATOM 0 HA ILE A 43 4.851 2.269 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 43 4.835 2.753 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.667 4.056 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.330 2.687 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.011 0.576 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.417 0.420 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.894 0.449 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.395 2.907 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.473 1.388 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.800 2.779 -0.759 1.00 0.00 H new ATOM 664 N ARG A 44 2.675 1.151 0.028 1.00 0.00 N ATOM 665 CA ARG A 44 1.252 0.713 0.151 1.00 0.00 C ATOM 666 C ARG A 44 1.147 -0.723 0.684 1.00 0.00 C ATOM 667 O ARG A 44 0.091 -1.147 1.112 1.00 0.00 O ATOM 668 CB ARG A 44 0.690 0.801 -1.270 1.00 0.00 C ATOM 669 CG ARG A 44 0.935 2.200 -1.835 1.00 0.00 C ATOM 670 CD ARG A 44 0.162 2.366 -3.144 1.00 0.00 C ATOM 671 NE ARG A 44 -0.074 3.829 -3.258 1.00 0.00 N ATOM 672 CZ ARG A 44 0.000 4.416 -4.421 1.00 0.00 C ATOM 673 NH1 ARG A 44 1.166 4.651 -4.960 1.00 0.00 N ATOM 674 NH2 ARG A 44 -1.090 4.768 -5.046 1.00 0.00 N ATOM 0 H ARG A 44 3.307 0.473 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 44 0.702 1.335 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.164 0.053 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.378 0.583 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.618 2.955 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.000 2.352 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.734 1.990 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.777 1.814 -3.122 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.294 4.375 -2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.018 4.376 -4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.224 5.110 -5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.001 4.584 -4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.031 5.227 -5.955 1.00 0.00 H new ATOM 688 N SER A 45 2.215 -1.479 0.659 1.00 0.00 N ATOM 689 CA SER A 45 2.131 -2.882 1.166 1.00 0.00 C ATOM 690 C SER A 45 3.436 -3.295 1.852 1.00 0.00 C ATOM 691 O SER A 45 4.252 -2.471 2.214 1.00 0.00 O ATOM 692 CB SER A 45 1.904 -3.739 -0.081 1.00 0.00 C ATOM 693 OG SER A 45 3.137 -4.331 -0.467 1.00 0.00 O ATOM 0 H SER A 45 3.131 -1.191 0.314 1.00 0.00 H new ATOM 0 HA SER A 45 1.337 -2.996 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.163 -4.512 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.510 -3.126 -0.892 1.00 0.00 H new ATOM 0 HG SER A 45 2.999 -4.883 -1.265 1.00 0.00 H new ATOM 699 N LYS A 46 3.637 -4.578 2.009 1.00 0.00 N ATOM 700 CA LYS A 46 4.889 -5.071 2.645 1.00 0.00 C ATOM 701 C LYS A 46 6.022 -5.035 1.619 1.00 0.00 C ATOM 702 O LYS A 46 7.135 -4.654 1.923 1.00 0.00 O ATOM 703 CB LYS A 46 4.584 -6.510 3.062 1.00 0.00 C ATOM 704 CG LYS A 46 5.428 -6.880 4.282 1.00 0.00 C ATOM 705 CD LYS A 46 5.026 -8.270 4.778 1.00 0.00 C ATOM 706 CE LYS A 46 5.962 -9.319 4.171 1.00 0.00 C ATOM 707 NZ LYS A 46 5.264 -10.619 4.373 1.00 0.00 N ATOM 0 H LYS A 46 2.983 -5.306 1.722 1.00 0.00 H new ATOM 0 HA LYS A 46 5.198 -4.466 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.524 -6.615 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.799 -7.191 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.487 -6.867 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.285 -6.144 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.076 -8.308 5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.994 -8.483 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.139 -9.126 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.935 -9.312 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.893 -11.398 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.010 -10.724 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.401 -10.644 3.793 1.00 0.00 H new ATOM 721 N VAL A 47 5.741 -5.416 0.397 1.00 0.00 N ATOM 722 CA VAL A 47 6.796 -5.387 -0.654 1.00 0.00 C ATOM 723 C VAL A 47 7.292 -3.948 -0.834 1.00 0.00 C ATOM 724 O VAL A 47 8.453 -3.661 -0.638 1.00 0.00 O ATOM 725 CB VAL A 47 6.099 -5.897 -1.915 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.877 -5.477 -3.163 1.00 0.00 C ATOM 727 CG2 VAL A 47 6.008 -7.423 -1.865 1.00 0.00 C ATOM 0 H VAL A 47 4.827 -5.745 0.086 1.00 0.00 H new ATOM 0 HA VAL A 47 7.667 -5.994 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 47 5.099 -5.467 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.367 -5.848 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.936 -4.389 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.883 -5.893 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.511 -7.788 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.011 -7.846 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.437 -7.725 -0.987 1.00 0.00 H new ATOM 737 N GLU A 48 6.413 -3.040 -1.191 1.00 0.00 N ATOM 738 CA GLU A 48 6.830 -1.611 -1.367 1.00 0.00 C ATOM 739 C GLU A 48 7.645 -1.167 -0.147 1.00 0.00 C ATOM 740 O GLU A 48 8.623 -0.447 -0.259 1.00 0.00 O ATOM 741 CB GLU A 48 5.518 -0.824 -1.468 1.00 0.00 C ATOM 742 CG GLU A 48 5.671 0.339 -2.460 1.00 0.00 C ATOM 743 CD GLU A 48 6.059 -0.190 -3.843 1.00 0.00 C ATOM 744 OE1 GLU A 48 5.161 -0.473 -4.620 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.245 -0.301 -4.103 1.00 0.00 O ATOM 0 H GLU A 48 5.426 -3.227 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 48 7.455 -1.455 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.714 -1.484 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.239 -0.440 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.736 0.896 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.431 1.033 -2.102 1.00 0.00 H new ATOM 752 N LEU A 49 7.264 -1.627 1.014 1.00 0.00 N ATOM 753 CA LEU A 49 8.019 -1.274 2.243 1.00 0.00 C ATOM 754 C LEU A 49 9.363 -2.007 2.207 1.00 0.00 C ATOM 755 O LEU A 49 10.410 -1.424 2.414 1.00 0.00 O ATOM 756 CB LEU A 49 7.123 -1.756 3.397 1.00 0.00 C ATOM 757 CG LEU A 49 7.961 -2.137 4.621 1.00 0.00 C ATOM 758 CD1 LEU A 49 8.756 -0.925 5.104 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.028 -2.608 5.739 1.00 0.00 C ATOM 0 H LEU A 49 6.458 -2.235 1.161 1.00 0.00 H new ATOM 0 HA LEU A 49 8.239 -0.212 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.416 -0.971 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.536 -2.615 3.072 1.00 0.00 H new ATOM 0 HG LEU A 49 8.653 -2.935 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.350 -1.203 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.417 -0.583 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.069 -0.123 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.618 -2.881 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.340 -1.804 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.461 -3.474 5.399 1.00 0.00 H new ATOM 771 N THR A 50 9.336 -3.282 1.916 1.00 0.00 N ATOM 772 CA THR A 50 10.604 -4.059 1.830 1.00 0.00 C ATOM 773 C THR A 50 11.542 -3.395 0.814 1.00 0.00 C ATOM 774 O THR A 50 12.750 -3.482 0.917 1.00 0.00 O ATOM 775 CB THR A 50 10.177 -5.454 1.353 1.00 0.00 C ATOM 776 OG1 THR A 50 9.445 -6.098 2.386 1.00 0.00 O ATOM 777 CG2 THR A 50 11.413 -6.291 1.007 1.00 0.00 C ATOM 0 H THR A 50 8.487 -3.818 1.734 1.00 0.00 H new ATOM 0 HA THR A 50 11.140 -4.106 2.778 1.00 0.00 H new ATOM 0 HB THR A 50 9.554 -5.355 0.464 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.537 -5.731 2.421 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.100 -7.279 0.670 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.976 -5.798 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.043 -6.392 1.891 1.00 0.00 H new ATOM 785 N ARG A 51 10.987 -2.722 -0.163 1.00 0.00 N ATOM 786 CA ARG A 51 11.838 -2.042 -1.182 1.00 0.00 C ATOM 787 C ARG A 51 12.655 -0.937 -0.511 1.00 0.00 C ATOM 788 O ARG A 51 13.868 -0.917 -0.588 1.00 0.00 O ATOM 789 CB ARG A 51 10.863 -1.444 -2.200 1.00 0.00 C ATOM 790 CG ARG A 51 9.997 -2.555 -2.798 1.00 0.00 C ATOM 791 CD ARG A 51 9.896 -2.369 -4.314 1.00 0.00 C ATOM 792 NE ARG A 51 9.984 -3.745 -4.875 1.00 0.00 N ATOM 793 CZ ARG A 51 10.708 -3.972 -5.938 1.00 0.00 C ATOM 794 NH1 ARG A 51 11.966 -3.629 -5.953 1.00 0.00 N ATOM 795 NH2 ARG A 51 10.173 -4.540 -6.984 1.00 0.00 N ATOM 0 H ARG A 51 9.982 -2.615 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 51 12.539 -2.727 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.232 -0.697 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.414 -0.934 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.429 -3.529 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.003 -2.534 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.958 -1.888 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.701 -1.737 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 51 9.479 -4.511 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.383 -3.184 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.533 -3.806 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.189 -4.807 -6.972 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.739 -4.717 -7.814 1.00 0.00 H new ATOM 809 N TYR A 52 11.998 -0.021 0.159 1.00 0.00 N ATOM 810 CA TYR A 52 12.746 1.077 0.847 1.00 0.00 C ATOM 811 C TYR A 52 13.804 0.478 1.780 1.00 0.00 C ATOM 812 O TYR A 52 14.801 1.102 2.088 1.00 0.00 O ATOM 813 CB TYR A 52 11.695 1.841 1.656 1.00 0.00 C ATOM 814 CG TYR A 52 12.181 3.251 1.912 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.248 4.166 0.856 1.00 0.00 C ATOM 816 CD2 TYR A 52 12.565 3.645 3.202 1.00 0.00 C ATOM 817 CE1 TYR A 52 12.696 5.473 1.088 1.00 0.00 C ATOM 818 CE2 TYR A 52 13.016 4.950 3.430 1.00 0.00 C ATOM 819 CZ TYR A 52 13.080 5.864 2.374 1.00 0.00 C ATOM 820 OH TYR A 52 13.523 7.152 2.601 1.00 0.00 O ATOM 0 H TYR A 52 10.983 0.014 0.259 1.00 0.00 H new ATOM 0 HA TYR A 52 13.263 1.728 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.750 1.864 1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.508 1.332 2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.954 3.865 -0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.513 2.941 4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.745 6.179 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.315 5.251 4.423 1.00 0.00 H new ATOM 0 HH TYR A 52 12.992 7.779 2.068 1.00 0.00 H new ATOM 830 N LEU A 53 13.589 -0.731 2.228 1.00 0.00 N ATOM 831 CA LEU A 53 14.573 -1.382 3.141 1.00 0.00 C ATOM 832 C LEU A 53 15.633 -2.136 2.332 1.00 0.00 C ATOM 833 O LEU A 53 16.691 -2.462 2.832 1.00 0.00 O ATOM 834 CB LEU A 53 13.751 -2.364 3.981 1.00 0.00 C ATOM 835 CG LEU A 53 12.601 -1.626 4.673 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.520 -2.632 5.078 1.00 0.00 C ATOM 837 CD2 LEU A 53 13.131 -0.916 5.922 1.00 0.00 C ATOM 0 H LEU A 53 12.772 -1.297 2.000 1.00 0.00 H new ATOM 0 HA LEU A 53 15.099 -0.654 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.355 -3.156 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.388 -2.841 4.726 1.00 0.00 H new ATOM 0 HG LEU A 53 12.176 -0.891 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.701 -2.108 5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.144 -3.139 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.944 -3.366 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.314 -0.390 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.555 -1.651 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.902 -0.201 5.634 1.00 0.00 H new ATOM 849 N GLY A 54 15.354 -2.423 1.086 1.00 0.00 N ATOM 850 CA GLY A 54 16.340 -3.160 0.250 1.00 0.00 C ATOM 851 C GLY A 54 15.647 -4.357 -0.408 1.00 0.00 C ATOM 852 O GLY A 54 14.647 -4.840 0.084 1.00 0.00 O ATOM 0 H GLY A 54 14.484 -2.177 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.754 -2.500 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.174 -3.500 0.864 1.00 0.00 H new ATOM 856 N PRO A 55 16.204 -4.798 -1.505 1.00 0.00 N ATOM 857 CA PRO A 55 15.630 -5.954 -2.239 1.00 0.00 C ATOM 858 C PRO A 55 15.810 -7.248 -1.435 1.00 0.00 C ATOM 859 O PRO A 55 15.229 -8.268 -1.751 1.00 0.00 O ATOM 860 CB PRO A 55 16.436 -5.991 -3.536 1.00 0.00 C ATOM 861 CG PRO A 55 17.725 -5.311 -3.203 1.00 0.00 C ATOM 862 CD PRO A 55 17.408 -4.274 -2.159 1.00 0.00 C ATOM 0 HA PRO A 55 14.558 -5.861 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.603 -7.015 -3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.913 -5.476 -4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.455 -6.028 -2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.159 -4.848 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.228 -4.154 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.228 -3.297 -2.607 1.00 0.00 H new ATOM 870 N ALA A 56 16.604 -7.213 -0.397 1.00 0.00 N ATOM 871 CA ALA A 56 16.814 -8.437 0.428 1.00 0.00 C ATOM 872 C ALA A 56 16.347 -8.186 1.866 1.00 0.00 C ATOM 873 O ALA A 56 16.824 -8.800 2.800 1.00 0.00 O ATOM 874 CB ALA A 56 18.321 -8.689 0.388 1.00 0.00 C ATOM 0 H ALA A 56 17.116 -6.388 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 56 16.251 -9.292 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.557 -9.577 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.637 -8.841 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.845 -7.829 0.805 1.00 0.00 H new ATOM 880 N CYS A 57 15.415 -7.286 2.048 1.00 0.00 N ATOM 881 CA CYS A 57 14.916 -6.990 3.422 1.00 0.00 C ATOM 882 C CYS A 57 13.441 -7.386 3.546 1.00 0.00 C ATOM 883 O CYS A 57 12.559 -6.550 3.502 1.00 0.00 O ATOM 884 CB CYS A 57 15.081 -5.479 3.588 1.00 0.00 C ATOM 885 SG CYS A 57 16.772 -5.111 4.117 1.00 0.00 S ATOM 0 H CYS A 57 14.978 -6.743 1.303 1.00 0.00 H new ATOM 0 HA CYS A 57 15.459 -7.545 4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.865 -4.973 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.369 -5.103 4.323 1.00 0.00 H new ATOM 0 HG CYS A 57 17.111 -3.928 3.696 1.00 0.00 H new ATOM 891 N ASP A 58 13.168 -8.654 3.700 1.00 0.00 N ATOM 892 CA ASP A 58 11.750 -9.105 3.828 1.00 0.00 C ATOM 893 C ASP A 58 11.183 -8.679 5.183 1.00 0.00 C ATOM 894 O ASP A 58 11.909 -8.284 6.073 1.00 0.00 O ATOM 895 CB ASP A 58 11.805 -10.630 3.732 1.00 0.00 C ATOM 896 CG ASP A 58 11.730 -11.053 2.264 1.00 0.00 C ATOM 897 OD1 ASP A 58 10.821 -10.606 1.585 1.00 0.00 O ATOM 898 OD2 ASP A 58 12.582 -11.818 1.844 1.00 0.00 O ATOM 0 H ASP A 58 13.865 -9.398 3.743 1.00 0.00 H new ATOM 0 HA ASP A 58 11.110 -8.671 3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.727 -11.000 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.979 -11.070 4.291 1.00 0.00 H new ATOM 903 N LEU A 59 9.889 -8.762 5.347 1.00 0.00 N ATOM 904 CA LEU A 59 9.271 -8.369 6.646 1.00 0.00 C ATOM 905 C LEU A 59 8.091 -9.291 6.959 1.00 0.00 C ATOM 906 O LEU A 59 6.951 -8.870 6.993 1.00 0.00 O ATOM 907 CB LEU A 59 8.789 -6.930 6.447 1.00 0.00 C ATOM 908 CG LEU A 59 9.991 -5.981 6.386 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.494 -4.548 6.185 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.781 -6.063 7.696 1.00 0.00 C ATOM 0 H LEU A 59 9.233 -9.086 4.636 1.00 0.00 H new ATOM 0 HA LEU A 59 9.972 -8.446 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.209 -6.856 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.128 -6.642 7.265 1.00 0.00 H new ATOM 0 HG LEU A 59 10.636 -6.268 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.346 -3.870 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.932 -4.485 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.849 -4.266 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.635 -5.387 7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.137 -5.777 8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.134 -7.083 7.845 1.00 0.00 H new ATOM 922 N THR A 60 8.359 -10.547 7.183 1.00 0.00 N ATOM 923 CA THR A 60 7.258 -11.507 7.490 1.00 0.00 C ATOM 924 C THR A 60 6.524 -11.093 8.771 1.00 0.00 C ATOM 925 O THR A 60 5.421 -11.532 9.032 1.00 0.00 O ATOM 926 CB THR A 60 7.946 -12.862 7.682 1.00 0.00 C ATOM 927 OG1 THR A 60 9.204 -12.861 7.019 1.00 0.00 O ATOM 928 CG2 THR A 60 7.066 -13.966 7.099 1.00 0.00 C ATOM 0 H THR A 60 9.295 -10.953 7.167 1.00 0.00 H new ATOM 0 HA THR A 60 6.513 -11.537 6.695 1.00 0.00 H new ATOM 0 HB THR A 60 8.100 -13.040 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.641 -13.729 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.555 -14.931 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.103 -13.972 7.610 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.911 -13.784 6.035 1.00 0.00 H new ATOM 936 N LEU A 61 7.128 -10.257 9.575 1.00 0.00 N ATOM 937 CA LEU A 61 6.464 -9.824 10.839 1.00 0.00 C ATOM 938 C LEU A 61 5.592 -8.588 10.595 1.00 0.00 C ATOM 939 O LEU A 61 4.555 -8.421 11.207 1.00 0.00 O ATOM 940 CB LEU A 61 7.615 -9.492 11.791 1.00 0.00 C ATOM 941 CG LEU A 61 8.445 -10.751 12.047 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.931 -10.390 12.070 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.049 -11.360 13.394 1.00 0.00 C ATOM 0 H LEU A 61 8.051 -9.856 9.411 1.00 0.00 H new ATOM 0 HA LEU A 61 5.805 -10.593 11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.242 -8.711 11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.223 -9.105 12.731 1.00 0.00 H new ATOM 0 HG LEU A 61 8.259 -11.473 11.252 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.521 -11.288 12.253 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.215 -9.958 11.111 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.117 -9.666 12.863 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.641 -12.257 13.576 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.233 -10.637 14.188 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.991 -11.620 13.378 1.00 0.00 H new ATOM 955 N PHE A 62 6.002 -7.720 9.707 1.00 0.00 N ATOM 956 CA PHE A 62 5.191 -6.496 9.431 1.00 0.00 C ATOM 957 C PHE A 62 3.829 -6.886 8.847 1.00 0.00 C ATOM 958 O PHE A 62 3.743 -7.496 7.799 1.00 0.00 O ATOM 959 CB PHE A 62 6.006 -5.697 8.411 1.00 0.00 C ATOM 960 CG PHE A 62 5.240 -4.458 8.002 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.256 -4.542 7.008 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.515 -3.229 8.614 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.548 -3.397 6.627 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.806 -2.083 8.230 1.00 0.00 C ATOM 965 CZ PHE A 62 3.823 -2.168 7.236 1.00 0.00 C ATOM 0 H PHE A 62 6.860 -7.805 9.162 1.00 0.00 H new ATOM 0 HA PHE A 62 4.996 -5.918 10.334 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.968 -5.416 8.840 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.215 -6.312 7.536 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.044 -5.490 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.273 -3.164 9.381 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.788 -3.462 5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.018 -1.134 8.701 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.277 -1.284 6.940 1.00 0.00 H new ATOM 975 N ASP A 63 2.765 -6.535 9.520 1.00 0.00 N ATOM 976 CA ASP A 63 1.407 -6.882 9.008 1.00 0.00 C ATOM 977 C ASP A 63 0.969 -5.872 7.942 1.00 0.00 C ATOM 978 O ASP A 63 1.250 -4.693 8.039 1.00 0.00 O ATOM 979 CB ASP A 63 0.491 -6.805 10.230 1.00 0.00 C ATOM 980 CG ASP A 63 0.378 -8.190 10.871 1.00 0.00 C ATOM 981 OD1 ASP A 63 -0.243 -9.051 10.269 1.00 0.00 O ATOM 982 OD2 ASP A 63 0.916 -8.366 11.952 1.00 0.00 O ATOM 0 H ASP A 63 2.778 -6.023 10.402 1.00 0.00 H new ATOM 0 HA ASP A 63 1.381 -7.867 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.888 -6.090 10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.496 -6.447 9.936 1.00 0.00 H new ATOM 987 N PHE A 64 0.283 -6.326 6.927 1.00 0.00 N ATOM 988 CA PHE A 64 -0.174 -5.396 5.852 1.00 0.00 C ATOM 989 C PHE A 64 -1.473 -4.699 6.272 1.00 0.00 C ATOM 990 O PHE A 64 -1.716 -3.560 5.922 1.00 0.00 O ATOM 991 CB PHE A 64 -0.406 -6.291 4.629 1.00 0.00 C ATOM 992 CG PHE A 64 -1.086 -5.501 3.533 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.323 -4.763 2.621 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.483 -5.510 3.431 1.00 0.00 C ATOM 995 CE1 PHE A 64 -0.956 -4.033 1.607 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.115 -4.782 2.417 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.353 -4.043 1.505 1.00 0.00 C ATOM 0 H PHE A 64 0.019 -7.302 6.795 1.00 0.00 H new ATOM 0 HA PHE A 64 0.551 -4.609 5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.545 -6.684 4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.020 -7.148 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.754 -4.756 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.072 -6.079 4.135 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.367 -3.463 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.192 -4.790 2.338 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.842 -3.481 0.723 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.310 -5.373 7.014 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.593 -4.748 7.450 1.00 0.00 C ATOM 1009 C LYS A 65 -3.377 -3.927 8.725 1.00 0.00 C ATOM 1010 O LYS A 65 -4.046 -2.939 8.957 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.536 -5.920 7.719 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.945 -5.564 7.242 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.976 -5.530 5.711 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.416 -5.325 5.233 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.897 -6.686 4.862 1.00 0.00 N ATOM 0 H LYS A 65 -2.161 -6.329 7.337 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.995 -4.067 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.181 -6.812 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.549 -6.152 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.662 -6.296 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.242 -4.595 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.341 -4.725 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.577 -6.461 5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.034 -4.888 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.456 -4.646 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.879 -6.627 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.294 -7.074 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.854 -7.308 5.694 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.449 -4.329 9.551 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.192 -3.571 10.810 1.00 0.00 C ATOM 1031 C GLN A 66 -1.034 -2.587 10.610 1.00 0.00 C ATOM 1032 O GLN A 66 -1.065 -1.475 11.099 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.824 -4.635 11.845 1.00 0.00 C ATOM 1034 CG GLN A 66 -3.004 -5.592 12.032 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.737 -6.506 13.230 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -3.601 -6.710 14.058 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -1.566 -7.069 13.357 1.00 0.00 N ATOM 0 H GLN A 66 -1.858 -5.148 9.409 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.055 -2.983 11.122 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.942 -5.187 11.518 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.571 -4.163 12.794 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.922 -5.027 12.190 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.148 -6.189 11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.840 -6.898 12.662 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.377 -7.680 14.152 1.00 0.00 H new ATOM 1046 N GLY A 67 -0.017 -2.987 9.894 1.00 0.00 N ATOM 1047 CA GLY A 67 1.138 -2.073 9.663 1.00 0.00 C ATOM 1048 C GLY A 67 1.954 -1.943 10.949 1.00 0.00 C ATOM 1049 O GLY A 67 2.350 -0.862 11.337 1.00 0.00 O ATOM 0 H GLY A 67 0.063 -3.906 9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.765 -2.459 8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.781 -1.093 9.346 1.00 0.00 H new ATOM 1053 N ILE A 68 2.208 -3.039 11.613 1.00 0.00 N ATOM 1054 CA ILE A 68 3.001 -2.988 12.879 1.00 0.00 C ATOM 1055 C ILE A 68 3.885 -4.231 12.999 1.00 0.00 C ATOM 1056 O ILE A 68 3.642 -5.241 12.368 1.00 0.00 O ATOM 1057 CB ILE A 68 1.976 -2.957 14.019 1.00 0.00 C ATOM 1058 CG1 ILE A 68 0.716 -3.737 13.619 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.603 -1.506 14.332 1.00 0.00 C ATOM 1060 CD1 ILE A 68 -0.080 -4.108 14.872 1.00 0.00 C ATOM 0 H ILE A 68 1.900 -3.970 11.334 1.00 0.00 H new ATOM 0 HA ILE A 68 3.656 -2.117 12.905 1.00 0.00 H new ATOM 0 HB ILE A 68 2.414 -3.421 14.903 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.101 -3.135 12.951 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.993 -4.638 13.072 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.874 -1.484 15.142 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.496 -0.957 14.632 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.173 -1.041 13.445 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.974 -4.662 14.585 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.536 -4.727 15.524 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.370 -3.200 15.401 1.00 0.00 H new ATOM 1072 N LEU A 69 4.907 -4.165 13.809 1.00 0.00 N ATOM 1073 CA LEU A 69 5.806 -5.343 13.978 1.00 0.00 C ATOM 1074 C LEU A 69 5.335 -6.187 15.165 1.00 0.00 C ATOM 1075 O LEU A 69 5.873 -6.100 16.252 1.00 0.00 O ATOM 1076 CB LEU A 69 7.193 -4.753 14.254 1.00 0.00 C ATOM 1077 CG LEU A 69 8.091 -4.932 13.026 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.476 -4.354 13.319 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.227 -6.422 12.698 1.00 0.00 C ATOM 0 H LEU A 69 5.158 -3.345 14.362 1.00 0.00 H new ATOM 0 HA LEU A 69 5.812 -5.992 13.102 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.105 -3.695 14.500 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.641 -5.244 15.118 1.00 0.00 H new ATOM 0 HG LEU A 69 7.646 -4.412 12.178 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.116 -4.481 12.446 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.386 -3.293 13.551 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.915 -4.875 14.169 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.866 -6.545 11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.669 -6.943 13.547 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.242 -6.840 12.489 1.00 0.00 H new