USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=18 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 180:sc= -0.364 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0.324 (180deg=0.281) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.623 USER MOD Single : A 27 THR OG1 : rot -122:sc= -1.3! USER MOD Single : A 28 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 31 SER OG : rot 47:sc= 0.565 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 18:sc= -0.31 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 37 SER OG : rot 162:sc= -0.448 USER MOD Single : A 39 THR OG1 : rot -39:sc= 0.814 USER MOD Single : A 45 SER OG : rot 180:sc= -0.541 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= -0.518 (180deg=-0.903) USER MOD Single : A 50 THR OG1 : rot 78:sc= 0.513 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0167 USER MOD Single : A 60 THR OG1 : rot 102:sc= 0.0914 USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00114) USER MOD Single : A 66 GLN : amide:sc= -0.453 K(o=-0.45,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.297 9.222 9.424 1.00 0.00 N ATOM 56 CA TRP A 5 -2.850 8.856 9.394 1.00 0.00 C ATOM 57 C TRP A 5 -2.379 8.477 10.800 1.00 0.00 C ATOM 58 O TRP A 5 -2.130 9.328 11.632 1.00 0.00 O ATOM 59 CB TRP A 5 -2.123 10.108 8.903 1.00 0.00 C ATOM 60 CG TRP A 5 -1.956 10.040 7.419 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.352 10.995 6.547 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.358 8.979 6.618 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.037 10.589 5.263 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.423 9.354 5.254 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.770 7.742 6.938 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.925 8.529 4.245 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.268 6.909 5.924 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.345 7.302 4.580 1.00 0.00 C ATOM 0 HA TRP A 5 -2.655 8.001 8.747 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.688 10.999 9.175 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.149 10.188 9.386 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.836 11.924 6.811 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.235 11.136 4.425 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.704 7.430 7.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.987 8.836 3.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.180 5.960 6.181 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.043 6.658 3.805 1.00 0.00 H new ATOM 79 N LEU A 6 -2.253 7.205 11.069 1.00 0.00 N ATOM 80 CA LEU A 6 -1.794 6.767 12.419 1.00 0.00 C ATOM 81 C LEU A 6 -0.304 6.424 12.375 1.00 0.00 C ATOM 82 O LEU A 6 0.252 6.179 11.325 1.00 0.00 O ATOM 83 CB LEU A 6 -2.619 5.517 12.736 1.00 0.00 C ATOM 84 CG LEU A 6 -4.103 5.881 12.808 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.944 4.609 12.696 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.395 6.568 14.144 1.00 0.00 C ATOM 0 H LEU A 6 -2.448 6.450 10.412 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.926 7.543 13.173 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.458 4.759 11.969 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.294 5.086 13.683 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.352 6.556 11.990 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.002 4.867 12.747 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.736 4.118 11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.695 3.935 13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.452 6.828 14.196 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.147 5.892 14.962 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.794 7.474 14.226 1.00 0.00 H new ATOM 98 N ASP A 7 0.348 6.405 13.503 1.00 0.00 N ATOM 99 CA ASP A 7 1.802 6.077 13.518 1.00 0.00 C ATOM 100 C ASP A 7 2.033 4.673 12.955 1.00 0.00 C ATOM 101 O ASP A 7 1.103 3.970 12.610 1.00 0.00 O ATOM 102 CB ASP A 7 2.210 6.139 14.991 1.00 0.00 C ATOM 103 CG ASP A 7 2.648 7.562 15.340 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.571 8.048 14.708 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.053 8.141 16.233 1.00 0.00 O ATOM 0 H ASP A 7 -0.062 6.602 14.416 1.00 0.00 H new ATOM 0 HA ASP A 7 2.386 6.765 12.906 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.375 5.839 15.624 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.023 5.439 15.184 1.00 0.00 H new ATOM 110 N CYS A 8 3.267 4.261 12.861 1.00 0.00 N ATOM 111 CA CYS A 8 3.570 2.906 12.323 1.00 0.00 C ATOM 112 C CYS A 8 4.862 2.373 12.954 1.00 0.00 C ATOM 113 O CYS A 8 5.936 2.552 12.414 1.00 0.00 O ATOM 114 CB CYS A 8 3.747 3.108 10.817 1.00 0.00 C ATOM 115 SG CYS A 8 4.054 1.511 10.023 1.00 0.00 S ATOM 0 H CYS A 8 4.083 4.808 13.135 1.00 0.00 H new ATOM 0 HA CYS A 8 2.784 2.183 12.543 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.855 3.570 10.394 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.578 3.786 10.626 1.00 0.00 H new ATOM 0 HG CYS A 8 4.202 1.684 8.743 1.00 0.00 H new ATOM 121 N PRO A 9 4.711 1.732 14.085 1.00 0.00 N ATOM 122 CA PRO A 9 5.882 1.167 14.805 1.00 0.00 C ATOM 123 C PRO A 9 6.434 -0.064 14.088 1.00 0.00 C ATOM 124 O PRO A 9 7.458 -0.601 14.465 1.00 0.00 O ATOM 125 CB PRO A 9 5.314 0.767 16.161 1.00 0.00 C ATOM 126 CG PRO A 9 3.850 0.565 15.928 1.00 0.00 C ATOM 127 CD PRO A 9 3.452 1.475 14.795 1.00 0.00 C ATOM 0 HA PRO A 9 6.707 1.877 14.871 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.783 -0.144 16.531 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.491 1.542 16.906 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.640 -0.475 15.679 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.281 0.799 16.828 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.716 1.003 14.144 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.006 2.399 15.163 1.00 0.00 H new ATOM 135 N ALA A 10 5.764 -0.528 13.072 1.00 0.00 N ATOM 136 CA ALA A 10 6.254 -1.736 12.354 1.00 0.00 C ATOM 137 C ALA A 10 7.681 -1.524 11.837 1.00 0.00 C ATOM 138 O ALA A 10 8.383 -2.466 11.533 1.00 0.00 O ATOM 139 CB ALA A 10 5.292 -1.925 11.182 1.00 0.00 C ATOM 0 H ALA A 10 4.901 -0.125 12.708 1.00 0.00 H new ATOM 0 HA ALA A 10 6.283 -2.607 13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.590 -2.800 10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.280 -2.068 11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.319 -1.042 10.543 1.00 0.00 H new ATOM 145 N LEU A 11 8.111 -0.296 11.723 1.00 0.00 N ATOM 146 CA LEU A 11 9.487 -0.036 11.212 1.00 0.00 C ATOM 147 C LEU A 11 10.247 0.906 12.151 1.00 0.00 C ATOM 148 O LEU A 11 11.217 0.521 12.774 1.00 0.00 O ATOM 149 CB LEU A 11 9.277 0.619 9.847 1.00 0.00 C ATOM 150 CG LEU A 11 8.597 -0.379 8.901 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.202 0.131 8.530 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.436 -0.532 7.630 1.00 0.00 C ATOM 0 H LEU A 11 7.571 0.536 11.961 1.00 0.00 H new ATOM 0 HA LEU A 11 10.080 -0.948 11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.663 1.514 9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.234 0.936 9.432 1.00 0.00 H new ATOM 0 HG LEU A 11 8.509 -1.344 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.721 -0.580 7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.602 0.239 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.288 1.098 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.953 -1.241 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.525 0.435 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.429 -0.899 7.891 1.00 0.00 H new ATOM 164 N GLY A 12 9.818 2.136 12.257 1.00 0.00 N ATOM 165 CA GLY A 12 10.525 3.096 13.154 1.00 0.00 C ATOM 166 C GLY A 12 9.747 4.415 13.219 1.00 0.00 C ATOM 167 O GLY A 12 8.627 4.496 12.753 1.00 0.00 O ATOM 0 H GLY A 12 9.011 2.516 11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.622 2.671 14.153 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.535 3.276 12.785 1.00 0.00 H new ATOM 171 N PRO A 13 10.369 5.409 13.801 1.00 0.00 N ATOM 172 CA PRO A 13 9.721 6.737 13.932 1.00 0.00 C ATOM 173 C PRO A 13 9.719 7.475 12.590 1.00 0.00 C ATOM 174 O PRO A 13 10.746 7.909 12.104 1.00 0.00 O ATOM 175 CB PRO A 13 10.594 7.465 14.948 1.00 0.00 C ATOM 176 CG PRO A 13 11.936 6.812 14.852 1.00 0.00 C ATOM 177 CD PRO A 13 11.715 5.394 14.390 1.00 0.00 C ATOM 0 HA PRO A 13 8.678 6.671 14.241 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.657 8.529 14.722 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.184 7.377 15.954 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.575 7.349 14.151 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.440 6.827 15.818 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.465 5.092 13.659 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.778 4.691 15.220 1.00 0.00 H new ATOM 185 N GLY A 14 8.568 7.621 11.994 1.00 0.00 N ATOM 186 CA GLY A 14 8.479 8.330 10.685 1.00 0.00 C ATOM 187 C GLY A 14 7.401 7.665 9.829 1.00 0.00 C ATOM 188 O GLY A 14 6.658 8.322 9.127 1.00 0.00 O ATOM 0 H GLY A 14 7.680 7.278 12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.239 9.382 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.440 8.296 10.173 1.00 0.00 H new ATOM 192 N TRP A 15 7.326 6.362 9.870 1.00 0.00 N ATOM 193 CA TRP A 15 6.314 5.640 9.043 1.00 0.00 C ATOM 194 C TRP A 15 4.892 5.977 9.496 1.00 0.00 C ATOM 195 O TRP A 15 4.594 6.017 10.674 1.00 0.00 O ATOM 196 CB TRP A 15 6.607 4.154 9.261 1.00 0.00 C ATOM 197 CG TRP A 15 7.720 3.729 8.359 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.016 3.604 8.731 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.664 3.372 6.948 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.756 3.195 7.637 1.00 0.00 N ATOM 201 CE2 TRP A 15 8.968 3.037 6.516 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.618 3.306 6.009 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.228 2.653 5.200 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.876 2.920 4.683 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.179 2.593 4.280 1.00 0.00 C ATOM 0 H TRP A 15 7.923 5.764 10.442 1.00 0.00 H new ATOM 0 HA TRP A 15 6.378 5.923 7.992 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.879 3.975 10.301 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.714 3.563 9.058 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.407 3.793 9.720 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.762 3.030 7.657 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.611 3.554 6.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.234 2.404 4.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.066 2.875 3.970 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.371 2.295 3.260 1.00 0.00 H new ATOM 216 N LYS A 16 4.013 6.210 8.561 1.00 0.00 N ATOM 217 CA LYS A 16 2.600 6.536 8.912 1.00 0.00 C ATOM 218 C LYS A 16 1.660 5.528 8.243 1.00 0.00 C ATOM 219 O LYS A 16 1.930 5.043 7.162 1.00 0.00 O ATOM 220 CB LYS A 16 2.368 7.941 8.357 1.00 0.00 C ATOM 221 CG LYS A 16 1.454 8.722 9.304 1.00 0.00 C ATOM 222 CD LYS A 16 2.299 9.399 10.385 1.00 0.00 C ATOM 223 CE LYS A 16 1.660 10.736 10.770 1.00 0.00 C ATOM 224 NZ LYS A 16 0.564 10.380 11.714 1.00 0.00 N ATOM 0 H LYS A 16 4.214 6.189 7.561 1.00 0.00 H new ATOM 0 HA LYS A 16 2.412 6.492 9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.320 8.460 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.917 7.882 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.889 9.470 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.728 8.050 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.373 8.754 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.314 9.560 10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.386 11.400 11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.273 11.256 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.144 11.249 12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.166 9.838 11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.948 9.805 12.491 1.00 0.00 H new ATOM 238 N ARG A 17 0.567 5.207 8.878 1.00 0.00 N ATOM 239 CA ARG A 17 -0.385 4.225 8.281 1.00 0.00 C ATOM 240 C ARG A 17 -1.753 4.879 8.054 1.00 0.00 C ATOM 241 O ARG A 17 -2.183 5.728 8.812 1.00 0.00 O ATOM 242 CB ARG A 17 -0.483 3.098 9.317 1.00 0.00 C ATOM 243 CG ARG A 17 -1.675 2.190 8.992 1.00 0.00 C ATOM 244 CD ARG A 17 -1.409 0.775 9.512 1.00 0.00 C ATOM 245 NE ARG A 17 -1.163 0.937 10.972 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.154 1.211 11.775 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.187 0.416 11.829 1.00 0.00 N ATOM 248 NH2 ARG A 17 -2.114 2.279 12.524 1.00 0.00 N ATOM 0 H ARG A 17 0.291 5.582 9.785 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.052 3.859 7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.438 2.515 9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.598 3.520 10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.582 2.589 9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.842 2.166 7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.260 0.120 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.548 0.328 9.015 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.219 0.834 11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.219 -0.419 11.244 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.962 0.629 12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.307 2.901 12.482 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.890 2.491 13.151 1.00 0.00 H new ATOM 262 N ARG A 18 -2.438 4.481 7.016 1.00 0.00 N ATOM 263 CA ARG A 18 -3.781 5.061 6.728 1.00 0.00 C ATOM 264 C ARG A 18 -4.728 3.957 6.251 1.00 0.00 C ATOM 265 O ARG A 18 -4.368 3.134 5.434 1.00 0.00 O ATOM 266 CB ARG A 18 -3.546 6.081 5.613 1.00 0.00 C ATOM 267 CG ARG A 18 -4.862 6.786 5.279 1.00 0.00 C ATOM 268 CD ARG A 18 -4.573 8.073 4.499 1.00 0.00 C ATOM 269 NE ARG A 18 -5.142 7.839 3.144 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.356 7.526 2.150 1.00 0.00 C ATOM 271 NH1 ARG A 18 -3.715 8.463 1.506 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.210 6.278 1.803 1.00 0.00 N ATOM 0 H ARG A 18 -2.123 3.775 6.351 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.233 5.521 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.799 6.811 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.153 5.583 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.500 6.127 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.404 7.018 6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.035 8.936 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.502 8.272 4.448 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.147 7.923 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.828 9.439 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.101 8.219 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.710 5.546 2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.596 6.033 1.026 1.00 0.00 H new ATOM 286 N GLU A 19 -5.932 3.931 6.755 1.00 0.00 N ATOM 287 CA GLU A 19 -6.894 2.874 6.326 1.00 0.00 C ATOM 288 C GLU A 19 -7.856 3.429 5.275 1.00 0.00 C ATOM 289 O GLU A 19 -8.508 4.435 5.482 1.00 0.00 O ATOM 290 CB GLU A 19 -7.648 2.478 7.598 1.00 0.00 C ATOM 291 CG GLU A 19 -7.326 1.022 7.950 1.00 0.00 C ATOM 292 CD GLU A 19 -8.202 0.574 9.122 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.366 0.936 9.138 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.691 -0.124 9.983 1.00 0.00 O ATOM 0 H GLU A 19 -6.291 4.593 7.443 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.392 2.019 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.364 3.134 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.721 2.599 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.500 0.381 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.272 0.925 8.212 1.00 0.00 H new ATOM 301 N VAL A 20 -7.946 2.780 4.146 1.00 0.00 N ATOM 302 CA VAL A 20 -8.858 3.261 3.068 1.00 0.00 C ATOM 303 C VAL A 20 -10.041 2.301 2.915 1.00 0.00 C ATOM 304 O VAL A 20 -9.930 1.267 2.287 1.00 0.00 O ATOM 305 CB VAL A 20 -8.009 3.264 1.794 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.776 3.961 0.670 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.697 4.011 2.051 1.00 0.00 C ATOM 0 H VAL A 20 -7.424 1.933 3.922 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.267 4.247 3.286 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.791 2.236 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.171 3.963 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.709 3.430 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.995 4.988 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.095 4.012 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.914 5.038 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.147 3.515 2.851 1.00 0.00 H new ATOM 317 N PHE A 21 -11.171 2.633 3.481 1.00 0.00 N ATOM 318 CA PHE A 21 -12.361 1.734 3.369 1.00 0.00 C ATOM 319 C PHE A 21 -13.103 1.983 2.050 1.00 0.00 C ATOM 320 O PHE A 21 -14.313 2.073 2.021 1.00 0.00 O ATOM 321 CB PHE A 21 -13.248 2.105 4.560 1.00 0.00 C ATOM 322 CG PHE A 21 -13.151 1.031 5.620 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.725 -0.226 5.398 1.00 0.00 C ATOM 324 CD2 PHE A 21 -12.487 1.295 6.824 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.636 -1.219 6.379 1.00 0.00 C ATOM 326 CE2 PHE A 21 -12.398 0.301 7.806 1.00 0.00 C ATOM 327 CZ PHE A 21 -12.973 -0.956 7.584 1.00 0.00 C ATOM 0 H PHE A 21 -11.323 3.488 4.017 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.081 0.681 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.938 3.065 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.282 2.217 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.237 -0.429 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.044 2.265 6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.079 -2.189 6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -11.886 0.504 8.735 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.905 -1.723 8.342 1.00 0.00 H new ATOM 337 N ARG A 22 -12.384 2.083 0.958 1.00 0.00 N ATOM 338 CA ARG A 22 -13.035 2.318 -0.368 1.00 0.00 C ATOM 339 C ARG A 22 -14.012 3.497 -0.300 1.00 0.00 C ATOM 340 O ARG A 22 -14.292 4.031 0.755 1.00 0.00 O ATOM 341 CB ARG A 22 -13.787 1.026 -0.665 1.00 0.00 C ATOM 342 CG ARG A 22 -12.918 0.123 -1.535 1.00 0.00 C ATOM 343 CD ARG A 22 -12.923 0.640 -2.973 1.00 0.00 C ATOM 344 NE ARG A 22 -11.502 0.590 -3.400 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.936 -0.557 -3.663 1.00 0.00 C ATOM 346 NH1 ARG A 22 -11.003 -1.054 -4.868 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.304 -1.205 -2.724 1.00 0.00 N ATOM 0 H ARG A 22 -11.367 2.011 0.929 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.306 2.565 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.041 0.518 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.725 1.247 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.899 0.100 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.293 -0.900 -1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.550 0.020 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.317 1.655 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.967 1.454 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.497 -0.547 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.562 -1.950 -5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.251 -0.816 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.862 -2.101 -2.931 1.00 0.00 H new ATOM 361 N LYS A 23 -14.533 3.908 -1.423 1.00 0.00 N ATOM 362 CA LYS A 23 -15.494 5.045 -1.426 1.00 0.00 C ATOM 363 C LYS A 23 -16.657 4.768 -2.384 1.00 0.00 C ATOM 364 O LYS A 23 -17.772 5.184 -2.139 1.00 0.00 O ATOM 365 CB LYS A 23 -14.686 6.254 -1.899 1.00 0.00 C ATOM 366 CG LYS A 23 -15.136 7.502 -1.132 1.00 0.00 C ATOM 367 CD LYS A 23 -14.063 7.896 -0.112 1.00 0.00 C ATOM 368 CE LYS A 23 -13.825 6.737 0.860 1.00 0.00 C ATOM 369 NZ LYS A 23 -13.060 7.334 1.990 1.00 0.00 N ATOM 0 H LYS A 23 -14.334 3.505 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.932 5.208 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.622 6.079 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.826 6.402 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.311 8.324 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.081 7.308 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.135 8.149 -0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.377 8.784 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.767 6.310 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.264 5.932 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.858 6.600 2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.165 7.727 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.622 8.092 2.427 1.00 0.00 H new ATOM 383 N SER A 24 -16.410 4.066 -3.471 1.00 0.00 N ATOM 384 CA SER A 24 -17.512 3.762 -4.452 1.00 0.00 C ATOM 385 C SER A 24 -16.938 3.277 -5.787 1.00 0.00 C ATOM 386 O SER A 24 -15.760 3.005 -5.910 1.00 0.00 O ATOM 387 CB SER A 24 -18.266 5.079 -4.673 1.00 0.00 C ATOM 388 OG SER A 24 -17.349 6.166 -4.608 1.00 0.00 O ATOM 0 H SER A 24 -15.495 3.691 -3.722 1.00 0.00 H new ATOM 0 HA SER A 24 -18.161 2.976 -4.067 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.765 5.067 -5.642 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.042 5.198 -3.917 1.00 0.00 H new ATOM 0 HG SER A 24 -17.829 7.008 -4.750 1.00 0.00 H new ATOM 394 N GLY A 25 -17.774 3.174 -6.791 1.00 0.00 N ATOM 395 CA GLY A 25 -17.299 2.718 -8.129 1.00 0.00 C ATOM 396 C GLY A 25 -17.722 1.265 -8.358 1.00 0.00 C ATOM 397 O GLY A 25 -18.808 0.986 -8.825 1.00 0.00 O ATOM 0 H GLY A 25 -18.770 3.388 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.714 3.355 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.214 2.805 -8.190 1.00 0.00 H new ATOM 401 N ALA A 26 -16.862 0.347 -8.028 1.00 0.00 N ATOM 402 CA ALA A 26 -17.179 -1.100 -8.211 1.00 0.00 C ATOM 403 C ALA A 26 -16.444 -1.930 -7.153 1.00 0.00 C ATOM 404 O ALA A 26 -16.354 -3.138 -7.244 1.00 0.00 O ATOM 405 CB ALA A 26 -16.660 -1.443 -9.608 1.00 0.00 C ATOM 0 H ALA A 26 -15.940 0.536 -7.634 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.244 -1.310 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.855 -2.494 -9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.167 -0.823 -10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.587 -1.257 -9.653 1.00 0.00 H new ATOM 411 N THR A 27 -15.912 -1.279 -6.154 1.00 0.00 N ATOM 412 CA THR A 27 -15.170 -1.997 -5.084 1.00 0.00 C ATOM 413 C THR A 27 -15.521 -1.391 -3.719 1.00 0.00 C ATOM 414 O THR A 27 -14.877 -1.659 -2.726 1.00 0.00 O ATOM 415 CB THR A 27 -13.691 -1.757 -5.422 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.478 -0.376 -5.699 1.00 0.00 O ATOM 417 CG2 THR A 27 -13.300 -2.583 -6.652 1.00 0.00 C ATOM 0 H THR A 27 -15.962 -0.267 -6.035 1.00 0.00 H new ATOM 0 HA THR A 27 -15.411 -3.059 -5.033 1.00 0.00 H new ATOM 0 HB THR A 27 -13.080 -2.057 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.105 -0.277 -6.600 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.250 -2.410 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.455 -3.642 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.916 -2.286 -7.501 1.00 0.00 H new ATOM 425 N CYS A 28 -16.535 -0.564 -3.673 1.00 0.00 N ATOM 426 CA CYS A 28 -16.935 0.085 -2.389 1.00 0.00 C ATOM 427 C CYS A 28 -17.107 -0.948 -1.275 1.00 0.00 C ATOM 428 O CYS A 28 -17.795 -1.938 -1.432 1.00 0.00 O ATOM 429 CB CYS A 28 -18.273 0.759 -2.690 1.00 0.00 C ATOM 430 SG CYS A 28 -18.513 2.153 -1.560 1.00 0.00 S ATOM 0 H CYS A 28 -17.107 -0.309 -4.478 1.00 0.00 H new ATOM 0 HA CYS A 28 -16.178 0.789 -2.044 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.293 1.106 -3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.087 0.042 -2.579 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.650 2.729 -1.817 1.00 0.00 H new ATOM 436 N GLY A 29 -16.500 -0.711 -0.144 1.00 0.00 N ATOM 437 CA GLY A 29 -16.648 -1.668 0.993 1.00 0.00 C ATOM 438 C GLY A 29 -15.306 -2.321 1.340 1.00 0.00 C ATOM 439 O GLY A 29 -15.151 -2.890 2.403 1.00 0.00 O ATOM 0 H GLY A 29 -15.910 0.100 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.038 -1.144 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.374 -2.438 0.733 1.00 0.00 H new ATOM 443 N ARG A 30 -14.335 -2.254 0.467 1.00 0.00 N ATOM 444 CA ARG A 30 -13.017 -2.888 0.782 1.00 0.00 C ATOM 445 C ARG A 30 -12.175 -1.951 1.650 1.00 0.00 C ATOM 446 O ARG A 30 -12.391 -0.755 1.681 1.00 0.00 O ATOM 447 CB ARG A 30 -12.336 -3.133 -0.565 1.00 0.00 C ATOM 448 CG ARG A 30 -13.219 -4.038 -1.425 1.00 0.00 C ATOM 449 CD ARG A 30 -12.459 -4.440 -2.692 1.00 0.00 C ATOM 450 NE ARG A 30 -13.232 -5.580 -3.261 1.00 0.00 N ATOM 451 CZ ARG A 30 -12.997 -5.982 -4.481 1.00 0.00 C ATOM 452 NH1 ARG A 30 -11.973 -6.754 -4.729 1.00 0.00 N ATOM 453 NH2 ARG A 30 -13.786 -5.615 -5.453 1.00 0.00 N ATOM 0 H ARG A 30 -14.394 -1.793 -0.441 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.139 -3.818 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.163 -2.185 -1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.361 -3.596 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.504 -4.927 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.140 -3.519 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.402 -3.611 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.435 -4.734 -2.461 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.944 -6.046 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.357 -7.043 -3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.790 -7.068 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.587 -5.014 -5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.602 -5.929 -6.406 1.00 0.00 H new ATOM 467 N SER A 31 -11.220 -2.490 2.359 1.00 0.00 N ATOM 468 CA SER A 31 -10.367 -1.635 3.234 1.00 0.00 C ATOM 469 C SER A 31 -8.885 -1.822 2.896 1.00 0.00 C ATOM 470 O SER A 31 -8.273 -2.808 3.257 1.00 0.00 O ATOM 471 CB SER A 31 -10.657 -2.113 4.654 1.00 0.00 C ATOM 472 OG SER A 31 -10.506 -3.525 4.716 1.00 0.00 O ATOM 0 H SER A 31 -10.994 -3.485 2.370 1.00 0.00 H new ATOM 0 HA SER A 31 -10.583 -0.575 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.977 -1.632 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.669 -1.831 4.945 1.00 0.00 H new ATOM 0 HG SER A 31 -9.667 -3.784 4.281 1.00 0.00 H new ATOM 478 N ASP A 32 -8.302 -0.873 2.212 1.00 0.00 N ATOM 479 CA ASP A 32 -6.858 -0.979 1.854 1.00 0.00 C ATOM 480 C ASP A 32 -6.033 -0.062 2.757 1.00 0.00 C ATOM 481 O ASP A 32 -6.304 1.115 2.871 1.00 0.00 O ATOM 482 CB ASP A 32 -6.775 -0.523 0.397 1.00 0.00 C ATOM 483 CG ASP A 32 -7.254 -1.651 -0.519 1.00 0.00 C ATOM 484 OD1 ASP A 32 -6.465 -2.540 -0.793 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.401 -1.606 -0.931 1.00 0.00 O ATOM 0 H ASP A 32 -8.766 -0.026 1.885 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.468 -1.989 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.388 0.366 0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.750 -0.249 0.148 1.00 0.00 H new ATOM 490 N THR A 33 -5.029 -0.593 3.404 1.00 0.00 N ATOM 491 CA THR A 33 -4.199 0.255 4.305 1.00 0.00 C ATOM 492 C THR A 33 -2.919 0.692 3.589 1.00 0.00 C ATOM 493 O THR A 33 -2.132 -0.121 3.146 1.00 0.00 O ATOM 494 CB THR A 33 -3.871 -0.642 5.500 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.079 -1.124 6.072 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.094 0.160 6.546 1.00 0.00 C ATOM 0 H THR A 33 -4.750 -1.572 3.347 1.00 0.00 H new ATOM 0 HA THR A 33 -4.716 1.165 4.610 1.00 0.00 H new ATOM 0 HB THR A 33 -3.263 -1.484 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.872 -1.700 6.837 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.861 -0.481 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.168 0.530 6.106 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.699 1.003 6.881 1.00 0.00 H new ATOM 504 N TYR A 34 -2.711 1.976 3.474 1.00 0.00 N ATOM 505 CA TYR A 34 -1.488 2.483 2.790 1.00 0.00 C ATOM 506 C TYR A 34 -0.504 3.026 3.827 1.00 0.00 C ATOM 507 O TYR A 34 -0.888 3.387 4.923 1.00 0.00 O ATOM 508 CB TYR A 34 -1.985 3.601 1.877 1.00 0.00 C ATOM 509 CG TYR A 34 -2.779 2.999 0.743 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.109 2.606 0.946 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.184 2.834 -0.512 1.00 0.00 C ATOM 512 CE1 TYR A 34 -4.841 2.049 -0.109 1.00 0.00 C ATOM 513 CE2 TYR A 34 -2.916 2.274 -1.565 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.244 1.883 -1.364 1.00 0.00 C ATOM 515 OH TYR A 34 -4.966 1.333 -2.404 1.00 0.00 O ATOM 0 H TYR A 34 -3.339 2.698 3.826 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.966 1.707 2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.605 4.299 2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.141 4.169 1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.568 2.733 1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.160 3.139 -0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.866 1.747 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.456 2.144 -2.533 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.404 1.290 -3.206 1.00 0.00 H new ATOM 525 N TYR A 35 0.760 3.078 3.503 1.00 0.00 N ATOM 526 CA TYR A 35 1.754 3.591 4.492 1.00 0.00 C ATOM 527 C TYR A 35 2.810 4.457 3.800 1.00 0.00 C ATOM 528 O TYR A 35 3.233 4.177 2.694 1.00 0.00 O ATOM 529 CB TYR A 35 2.419 2.349 5.110 1.00 0.00 C ATOM 530 CG TYR A 35 1.526 1.134 4.969 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.510 0.413 3.770 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.717 0.730 6.038 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.687 -0.710 3.637 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.107 -0.393 5.906 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.122 -1.113 4.705 1.00 0.00 C ATOM 536 OH TYR A 35 -0.933 -2.219 4.571 1.00 0.00 O ATOM 0 H TYR A 35 1.146 2.790 2.604 1.00 0.00 H new ATOM 0 HA TYR A 35 1.271 4.211 5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.375 2.162 4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.630 2.530 6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.134 0.724 2.946 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.729 1.285 6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.676 -1.265 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.731 -0.705 6.730 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.626 -2.760 3.814 1.00 0.00 H new ATOM 546 N GLN A 36 3.253 5.496 4.457 1.00 0.00 N ATOM 547 CA GLN A 36 4.300 6.373 3.859 1.00 0.00 C ATOM 548 C GLN A 36 5.627 6.134 4.580 1.00 0.00 C ATOM 549 O GLN A 36 5.651 5.811 5.753 1.00 0.00 O ATOM 550 CB GLN A 36 3.812 7.805 4.087 1.00 0.00 C ATOM 551 CG GLN A 36 4.777 8.788 3.415 1.00 0.00 C ATOM 552 CD GLN A 36 4.077 10.133 3.215 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.365 10.596 4.085 1.00 0.00 O ATOM 554 NE2 GLN A 36 4.248 10.785 2.098 1.00 0.00 N ATOM 0 H GLN A 36 2.933 5.775 5.385 1.00 0.00 H new ATOM 0 HA GLN A 36 4.459 6.174 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.809 7.928 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.749 8.013 5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.668 8.917 4.030 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.107 8.391 2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.845 10.397 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.785 11.682 1.955 1.00 0.00 H new ATOM 563 N SER A 37 6.726 6.284 3.891 1.00 0.00 N ATOM 564 CA SER A 37 8.060 6.057 4.531 1.00 0.00 C ATOM 565 C SER A 37 8.184 6.853 5.831 1.00 0.00 C ATOM 566 O SER A 37 7.264 7.541 6.228 1.00 0.00 O ATOM 567 CB SER A 37 9.079 6.547 3.507 1.00 0.00 C ATOM 568 OG SER A 37 9.753 7.696 4.006 1.00 0.00 O ATOM 0 H SER A 37 6.760 6.555 2.908 1.00 0.00 H new ATOM 0 HA SER A 37 8.210 5.010 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.799 5.758 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.578 6.787 2.569 1.00 0.00 H new ATOM 0 HG SER A 37 10.581 7.835 3.501 1.00 0.00 H new ATOM 574 N PRO A 38 9.326 6.737 6.456 1.00 0.00 N ATOM 575 CA PRO A 38 9.558 7.456 7.714 1.00 0.00 C ATOM 576 C PRO A 38 10.005 8.889 7.438 1.00 0.00 C ATOM 577 O PRO A 38 10.081 9.700 8.341 1.00 0.00 O ATOM 578 CB PRO A 38 10.660 6.656 8.391 1.00 0.00 C ATOM 579 CG PRO A 38 11.389 5.956 7.285 1.00 0.00 C ATOM 580 CD PRO A 38 10.495 5.941 6.064 1.00 0.00 C ATOM 0 HA PRO A 38 8.663 7.536 8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.330 7.308 8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.245 5.941 9.101 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.326 6.468 7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.644 4.939 7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.998 6.373 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.210 4.924 5.793 1.00 0.00 H new ATOM 588 N THR A 39 10.306 9.220 6.205 1.00 0.00 N ATOM 589 CA THR A 39 10.747 10.616 5.927 1.00 0.00 C ATOM 590 C THR A 39 10.748 10.945 4.423 1.00 0.00 C ATOM 591 O THR A 39 11.383 11.892 4.002 1.00 0.00 O ATOM 592 CB THR A 39 12.159 10.689 6.510 1.00 0.00 C ATOM 593 OG1 THR A 39 12.652 12.016 6.392 1.00 0.00 O ATOM 594 CG2 THR A 39 13.081 9.727 5.757 1.00 0.00 C ATOM 0 H THR A 39 10.266 8.597 5.398 1.00 0.00 H new ATOM 0 HA THR A 39 10.069 11.346 6.369 1.00 0.00 H new ATOM 0 HB THR A 39 12.130 10.405 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.373 12.393 5.532 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.086 9.783 6.176 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.703 8.709 5.855 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.112 10.003 4.703 1.00 0.00 H new ATOM 602 N GLY A 40 10.027 10.209 3.610 1.00 0.00 N ATOM 603 CA GLY A 40 9.998 10.552 2.153 1.00 0.00 C ATOM 604 C GLY A 40 10.045 9.300 1.265 1.00 0.00 C ATOM 605 O GLY A 40 11.089 8.910 0.780 1.00 0.00 O ATOM 0 H GLY A 40 9.468 9.401 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.094 11.119 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.844 11.197 1.916 1.00 0.00 H new ATOM 609 N ASP A 41 8.909 8.697 1.020 1.00 0.00 N ATOM 610 CA ASP A 41 8.841 7.490 0.129 1.00 0.00 C ATOM 611 C ASP A 41 7.424 6.908 0.180 1.00 0.00 C ATOM 612 O ASP A 41 6.923 6.555 1.229 1.00 0.00 O ATOM 613 CB ASP A 41 9.866 6.482 0.670 1.00 0.00 C ATOM 614 CG ASP A 41 10.832 6.086 -0.448 1.00 0.00 C ATOM 615 OD1 ASP A 41 11.613 6.929 -0.857 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.773 4.945 -0.878 1.00 0.00 O ATOM 0 H ASP A 41 8.011 8.992 1.404 1.00 0.00 H new ATOM 0 HA ASP A 41 9.066 7.736 -0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.417 6.919 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.356 5.599 1.054 1.00 0.00 H new ATOM 621 N ARG A 42 6.765 6.826 -0.945 1.00 0.00 N ATOM 622 CA ARG A 42 5.371 6.291 -0.961 1.00 0.00 C ATOM 623 C ARG A 42 5.363 4.760 -0.915 1.00 0.00 C ATOM 624 O ARG A 42 6.008 4.100 -1.706 1.00 0.00 O ATOM 625 CB ARG A 42 4.772 6.787 -2.277 1.00 0.00 C ATOM 626 CG ARG A 42 4.256 8.216 -2.098 1.00 0.00 C ATOM 627 CD ARG A 42 3.023 8.205 -1.189 1.00 0.00 C ATOM 628 NE ARG A 42 2.156 9.301 -1.705 1.00 0.00 N ATOM 629 CZ ARG A 42 1.438 10.009 -0.877 1.00 0.00 C ATOM 630 NH1 ARG A 42 0.532 9.428 -0.137 1.00 0.00 N ATOM 631 NH2 ARG A 42 1.623 11.298 -0.790 1.00 0.00 N ATOM 0 H ARG A 42 7.132 7.106 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 42 4.803 6.626 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.524 6.757 -3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.958 6.132 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.035 8.843 -1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.003 8.646 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.511 7.244 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.298 8.376 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 42 2.124 9.498 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.386 8.421 -0.206 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.029 9.981 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.329 11.752 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.062 11.851 -0.143 1.00 0.00 H new ATOM 645 N ILE A 43 4.621 4.197 0.001 1.00 0.00 N ATOM 646 CA ILE A 43 4.544 2.711 0.105 1.00 0.00 C ATOM 647 C ILE A 43 3.070 2.287 0.141 1.00 0.00 C ATOM 648 O ILE A 43 2.225 3.002 0.645 1.00 0.00 O ATOM 649 CB ILE A 43 5.273 2.370 1.418 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.653 1.795 1.093 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.480 1.339 2.227 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.487 2.843 0.358 1.00 0.00 C ATOM 0 H ILE A 43 4.062 4.706 0.686 1.00 0.00 H new ATOM 0 HA ILE A 43 4.999 2.190 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 43 5.371 3.281 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.157 1.493 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.550 0.901 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.013 1.113 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.496 1.743 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.366 0.427 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.469 2.430 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.985 3.123 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.602 3.724 0.989 1.00 0.00 H new ATOM 664 N ARG A 44 2.752 1.140 -0.397 1.00 0.00 N ATOM 665 CA ARG A 44 1.327 0.692 -0.396 1.00 0.00 C ATOM 666 C ARG A 44 1.213 -0.775 0.032 1.00 0.00 C ATOM 667 O ARG A 44 0.149 -1.360 -0.035 1.00 0.00 O ATOM 668 CB ARG A 44 0.846 0.856 -1.841 1.00 0.00 C ATOM 669 CG ARG A 44 1.271 2.222 -2.389 1.00 0.00 C ATOM 670 CD ARG A 44 0.223 2.721 -3.389 1.00 0.00 C ATOM 671 NE ARG A 44 -0.108 4.103 -2.942 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.240 5.058 -3.822 1.00 0.00 C ATOM 673 NH1 ARG A 44 0.727 5.307 -4.664 1.00 0.00 N ATOM 674 NH2 ARG A 44 -1.337 5.764 -3.861 1.00 0.00 N ATOM 0 H ARG A 44 3.412 0.497 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 44 0.730 1.273 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.261 0.062 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.239 0.761 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.378 2.936 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.244 2.144 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.615 2.718 -4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.661 2.083 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.231 4.303 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.584 4.755 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.625 6.053 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.092 5.570 -3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.439 6.510 -4.549 1.00 0.00 H new ATOM 688 N SER A 45 2.290 -1.381 0.464 1.00 0.00 N ATOM 689 CA SER A 45 2.212 -2.815 0.881 1.00 0.00 C ATOM 690 C SER A 45 3.508 -3.244 1.578 1.00 0.00 C ATOM 691 O SER A 45 4.379 -2.439 1.841 1.00 0.00 O ATOM 692 CB SER A 45 2.028 -3.593 -0.426 1.00 0.00 C ATOM 693 OG SER A 45 3.121 -4.483 -0.606 1.00 0.00 O ATOM 0 H SER A 45 3.211 -0.951 0.546 1.00 0.00 H new ATOM 0 HA SER A 45 1.401 -2.994 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.092 -4.151 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.965 -2.902 -1.267 1.00 0.00 H new ATOM 0 HG SER A 45 3.002 -4.982 -1.441 1.00 0.00 H new ATOM 699 N LYS A 46 3.650 -4.518 1.856 1.00 0.00 N ATOM 700 CA LYS A 46 4.897 -5.002 2.506 1.00 0.00 C ATOM 701 C LYS A 46 6.022 -4.995 1.475 1.00 0.00 C ATOM 702 O LYS A 46 7.128 -4.576 1.753 1.00 0.00 O ATOM 703 CB LYS A 46 4.598 -6.426 2.971 1.00 0.00 C ATOM 704 CG LYS A 46 5.548 -6.796 4.112 1.00 0.00 C ATOM 705 CD LYS A 46 5.227 -8.207 4.610 1.00 0.00 C ATOM 706 CE LYS A 46 6.187 -9.205 3.960 1.00 0.00 C ATOM 707 NZ LYS A 46 5.750 -10.540 4.459 1.00 0.00 N ATOM 0 H LYS A 46 2.955 -5.238 1.659 1.00 0.00 H new ATOM 0 HA LYS A 46 5.205 -4.377 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.563 -6.502 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.717 -7.124 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.581 -6.747 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.449 -6.080 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.319 -8.251 5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.196 -8.465 4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.134 -9.153 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.220 -8.998 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.473 -11.251 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.622 -10.500 5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.850 -10.801 4.008 1.00 0.00 H new ATOM 721 N VAL A 47 5.741 -5.430 0.270 1.00 0.00 N ATOM 722 CA VAL A 47 6.792 -5.413 -0.781 1.00 0.00 C ATOM 723 C VAL A 47 7.258 -3.969 -0.975 1.00 0.00 C ATOM 724 O VAL A 47 8.429 -3.667 -0.863 1.00 0.00 O ATOM 725 CB VAL A 47 6.101 -5.945 -2.035 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.956 -5.653 -3.267 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.897 -7.455 -1.902 1.00 0.00 C ATOM 0 H VAL A 47 4.834 -5.793 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 47 7.669 -6.012 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 47 5.135 -5.453 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.455 -6.036 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.097 -4.577 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.926 -6.138 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.404 -7.836 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.864 -7.944 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.277 -7.663 -1.030 1.00 0.00 H new ATOM 737 N GLU A 48 6.336 -3.071 -1.232 1.00 0.00 N ATOM 738 CA GLU A 48 6.712 -1.633 -1.396 1.00 0.00 C ATOM 739 C GLU A 48 7.546 -1.206 -0.187 1.00 0.00 C ATOM 740 O GLU A 48 8.522 -0.486 -0.300 1.00 0.00 O ATOM 741 CB GLU A 48 5.382 -0.872 -1.434 1.00 0.00 C ATOM 742 CG GLU A 48 5.229 -0.176 -2.789 1.00 0.00 C ATOM 743 CD GLU A 48 6.044 1.119 -2.793 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.205 1.066 -2.421 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.494 2.141 -3.168 1.00 0.00 O ATOM 0 H GLU A 48 5.341 -3.273 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 48 7.300 -1.442 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.553 -1.560 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.349 -0.137 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.569 -0.834 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.179 0.042 -2.981 1.00 0.00 H new ATOM 752 N LEU A 49 7.173 -1.683 0.969 1.00 0.00 N ATOM 753 CA LEU A 49 7.936 -1.358 2.202 1.00 0.00 C ATOM 754 C LEU A 49 9.320 -1.995 2.099 1.00 0.00 C ATOM 755 O LEU A 49 10.334 -1.366 2.333 1.00 0.00 O ATOM 756 CB LEU A 49 7.126 -1.998 3.333 1.00 0.00 C ATOM 757 CG LEU A 49 7.533 -1.401 4.677 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.906 -0.017 4.830 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.031 -2.307 5.802 1.00 0.00 C ATOM 0 H LEU A 49 6.365 -2.289 1.111 1.00 0.00 H new ATOM 0 HA LEU A 49 8.074 -0.289 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.061 -1.838 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.289 -3.076 3.342 1.00 0.00 H new ATOM 0 HG LEU A 49 8.619 -1.317 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.196 0.410 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.253 0.631 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.820 -0.102 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.319 -1.885 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.945 -2.384 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.471 -3.299 5.694 1.00 0.00 H new ATOM 771 N THR A 50 9.357 -3.245 1.725 1.00 0.00 N ATOM 772 CA THR A 50 10.657 -3.954 1.574 1.00 0.00 C ATOM 773 C THR A 50 11.504 -3.276 0.488 1.00 0.00 C ATOM 774 O THR A 50 12.700 -3.478 0.411 1.00 0.00 O ATOM 775 CB THR A 50 10.269 -5.378 1.154 1.00 0.00 C ATOM 776 OG1 THR A 50 9.619 -6.025 2.239 1.00 0.00 O ATOM 777 CG2 THR A 50 11.521 -6.170 0.767 1.00 0.00 C ATOM 0 H THR A 50 8.534 -3.809 1.516 1.00 0.00 H new ATOM 0 HA THR A 50 11.253 -3.944 2.487 1.00 0.00 H new ATOM 0 HB THR A 50 9.599 -5.329 0.296 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.693 -5.711 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.236 -7.179 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.022 -5.675 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.198 -6.220 1.620 1.00 0.00 H new ATOM 785 N ARG A 51 10.894 -2.476 -0.350 1.00 0.00 N ATOM 786 CA ARG A 51 11.670 -1.795 -1.428 1.00 0.00 C ATOM 787 C ARG A 51 12.482 -0.633 -0.852 1.00 0.00 C ATOM 788 O ARG A 51 13.694 -0.610 -0.943 1.00 0.00 O ATOM 789 CB ARG A 51 10.623 -1.275 -2.415 1.00 0.00 C ATOM 790 CG ARG A 51 9.789 -2.446 -2.940 1.00 0.00 C ATOM 791 CD ARG A 51 9.712 -2.383 -4.469 1.00 0.00 C ATOM 792 NE ARG A 51 9.979 -3.775 -4.924 1.00 0.00 N ATOM 793 CZ ARG A 51 10.757 -3.987 -5.950 1.00 0.00 C ATOM 794 NH1 ARG A 51 10.509 -3.400 -7.089 1.00 0.00 N ATOM 795 NH2 ARG A 51 11.783 -4.785 -5.838 1.00 0.00 N ATOM 0 H ARG A 51 9.896 -2.266 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 51 12.379 -2.472 -1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.977 -0.546 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.112 -0.763 -3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.234 -3.391 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.786 -2.410 -2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.732 -2.040 -4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.447 -1.687 -4.873 1.00 0.00 H new ATOM 0 HE ARG A 51 9.554 -4.562 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.707 -2.776 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.117 -3.566 -7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.978 -5.244 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.391 -4.950 -6.640 1.00 0.00 H new ATOM 809 N TYR A 52 11.830 0.337 -0.259 1.00 0.00 N ATOM 810 CA TYR A 52 12.586 1.493 0.314 1.00 0.00 C ATOM 811 C TYR A 52 13.558 1.003 1.393 1.00 0.00 C ATOM 812 O TYR A 52 14.512 1.676 1.732 1.00 0.00 O ATOM 813 CB TYR A 52 11.528 2.428 0.918 1.00 0.00 C ATOM 814 CG TYR A 52 12.139 3.788 1.218 1.00 0.00 C ATOM 815 CD1 TYR A 52 13.136 4.319 0.384 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.705 4.522 2.334 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.693 5.572 0.665 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.265 5.775 2.611 1.00 0.00 C ATOM 819 CZ TYR A 52 13.259 6.299 1.778 1.00 0.00 C ATOM 820 OH TYR A 52 13.809 7.534 2.053 1.00 0.00 O ATOM 0 H TYR A 52 10.817 0.379 -0.148 1.00 0.00 H new ATOM 0 HA TYR A 52 13.180 2.006 -0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.694 2.541 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.126 1.992 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.474 3.760 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.938 4.119 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.459 5.978 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.929 6.338 3.469 1.00 0.00 H new ATOM 0 HH TYR A 52 13.395 7.904 2.860 1.00 0.00 H new ATOM 830 N LEU A 53 13.328 -0.167 1.928 1.00 0.00 N ATOM 831 CA LEU A 53 14.243 -0.703 2.979 1.00 0.00 C ATOM 832 C LEU A 53 15.282 -1.639 2.352 1.00 0.00 C ATOM 833 O LEU A 53 16.282 -1.965 2.962 1.00 0.00 O ATOM 834 CB LEU A 53 13.335 -1.472 3.938 1.00 0.00 C ATOM 835 CG LEU A 53 12.311 -0.513 4.545 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.135 -1.311 5.109 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.970 0.291 5.670 1.00 0.00 C ATOM 0 H LEU A 53 12.546 -0.775 1.683 1.00 0.00 H new ATOM 0 HA LEU A 53 14.796 0.087 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.826 -2.277 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.929 -1.935 4.726 1.00 0.00 H new ATOM 0 HG LEU A 53 11.950 0.168 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.405 -0.627 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.666 -1.883 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.494 -1.993 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.241 0.975 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.331 -0.390 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.808 0.861 5.268 1.00 0.00 H new ATOM 849 N GLY A 54 15.056 -2.073 1.140 1.00 0.00 N ATOM 850 CA GLY A 54 16.031 -2.984 0.478 1.00 0.00 C ATOM 851 C GLY A 54 15.480 -4.412 0.484 1.00 0.00 C ATOM 852 O GLY A 54 14.672 -4.758 1.323 1.00 0.00 O ATOM 0 H GLY A 54 14.237 -1.835 0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.213 -2.657 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.988 -2.950 0.998 1.00 0.00 H new ATOM 856 N PRO A 55 15.938 -5.201 -0.454 1.00 0.00 N ATOM 857 CA PRO A 55 15.482 -6.609 -0.550 1.00 0.00 C ATOM 858 C PRO A 55 16.058 -7.429 0.607 1.00 0.00 C ATOM 859 O PRO A 55 15.449 -8.369 1.079 1.00 0.00 O ATOM 860 CB PRO A 55 16.042 -7.078 -1.889 1.00 0.00 C ATOM 861 CG PRO A 55 17.216 -6.190 -2.149 1.00 0.00 C ATOM 862 CD PRO A 55 16.912 -4.864 -1.500 1.00 0.00 C ATOM 0 HA PRO A 55 14.399 -6.718 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.341 -8.125 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.298 -6.991 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.127 -6.623 -1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.379 -6.068 -3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.809 -4.409 -1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.500 -4.153 -2.216 1.00 0.00 H new ATOM 870 N ALA A 56 17.226 -7.072 1.072 1.00 0.00 N ATOM 871 CA ALA A 56 17.841 -7.824 2.203 1.00 0.00 C ATOM 872 C ALA A 56 17.068 -7.543 3.497 1.00 0.00 C ATOM 873 O ALA A 56 17.077 -8.334 4.420 1.00 0.00 O ATOM 874 CB ALA A 56 19.270 -7.290 2.306 1.00 0.00 C ATOM 0 H ALA A 56 17.780 -6.292 0.717 1.00 0.00 H new ATOM 0 HA ALA A 56 17.822 -8.902 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.790 -7.796 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.796 -7.474 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.245 -6.218 2.503 1.00 0.00 H new ATOM 880 N CYS A 57 16.398 -6.422 3.565 1.00 0.00 N ATOM 881 CA CYS A 57 15.623 -6.086 4.794 1.00 0.00 C ATOM 882 C CYS A 57 14.187 -6.605 4.669 1.00 0.00 C ATOM 883 O CYS A 57 13.234 -5.863 4.813 1.00 0.00 O ATOM 884 CB CYS A 57 15.638 -4.558 4.866 1.00 0.00 C ATOM 885 SG CYS A 57 15.150 -4.027 6.526 1.00 0.00 S ATOM 0 H CYS A 57 16.355 -5.725 2.822 1.00 0.00 H new ATOM 0 HA CYS A 57 16.048 -6.539 5.689 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.634 -4.182 4.630 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.956 -4.142 4.124 1.00 0.00 H new ATOM 0 HG CYS A 57 15.165 -2.729 6.588 1.00 0.00 H new ATOM 891 N ASP A 58 14.026 -7.874 4.397 1.00 0.00 N ATOM 892 CA ASP A 58 12.650 -8.447 4.258 1.00 0.00 C ATOM 893 C ASP A 58 11.791 -8.097 5.470 1.00 0.00 C ATOM 894 O ASP A 58 12.275 -7.589 6.461 1.00 0.00 O ATOM 895 CB ASP A 58 12.827 -9.965 4.186 1.00 0.00 C ATOM 896 CG ASP A 58 13.815 -10.434 5.259 1.00 0.00 C ATOM 897 OD1 ASP A 58 15.005 -10.403 4.992 1.00 0.00 O ATOM 898 OD2 ASP A 58 13.365 -10.815 6.327 1.00 0.00 O ATOM 0 H ASP A 58 14.787 -8.540 4.265 1.00 0.00 H new ATOM 0 HA ASP A 58 12.153 -8.047 3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.865 -10.458 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.189 -10.250 3.198 1.00 0.00 H new ATOM 903 N LEU A 59 10.519 -8.382 5.400 1.00 0.00 N ATOM 904 CA LEU A 59 9.625 -8.084 6.549 1.00 0.00 C ATOM 905 C LEU A 59 8.543 -9.162 6.658 1.00 0.00 C ATOM 906 O LEU A 59 7.369 -8.896 6.500 1.00 0.00 O ATOM 907 CB LEU A 59 8.997 -6.721 6.242 1.00 0.00 C ATOM 908 CG LEU A 59 10.082 -5.639 6.181 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.441 -4.299 5.821 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.773 -5.520 7.546 1.00 0.00 C ATOM 0 H LEU A 59 10.062 -8.809 4.594 1.00 0.00 H new ATOM 0 HA LEU A 59 10.165 -8.069 7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.463 -6.764 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.265 -6.469 7.009 1.00 0.00 H new ATOM 0 HG LEU A 59 10.819 -5.910 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.210 -3.528 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.951 -4.379 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.704 -4.033 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.543 -4.750 7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.037 -5.251 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.230 -6.475 7.807 1.00 0.00 H new ATOM 922 N THR A 60 8.938 -10.378 6.917 1.00 0.00 N ATOM 923 CA THR A 60 7.942 -11.483 7.029 1.00 0.00 C ATOM 924 C THR A 60 7.052 -11.292 8.263 1.00 0.00 C ATOM 925 O THR A 60 6.033 -11.940 8.405 1.00 0.00 O ATOM 926 CB THR A 60 8.778 -12.759 7.163 1.00 0.00 C ATOM 927 OG1 THR A 60 10.026 -12.586 6.503 1.00 0.00 O ATOM 928 CG2 THR A 60 8.025 -13.927 6.528 1.00 0.00 C ATOM 0 H THR A 60 9.910 -10.656 7.056 1.00 0.00 H new ATOM 0 HA THR A 60 7.275 -11.517 6.168 1.00 0.00 H new ATOM 0 HB THR A 60 8.954 -12.967 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.725 -12.406 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.618 -14.837 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.070 -14.063 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.849 -13.716 5.473 1.00 0.00 H new ATOM 936 N LEU A 61 7.425 -10.412 9.156 1.00 0.00 N ATOM 937 CA LEU A 61 6.595 -10.189 10.377 1.00 0.00 C ATOM 938 C LEU A 61 5.702 -8.959 10.199 1.00 0.00 C ATOM 939 O LEU A 61 4.632 -8.873 10.769 1.00 0.00 O ATOM 940 CB LEU A 61 7.602 -9.967 11.505 1.00 0.00 C ATOM 941 CG LEU A 61 8.251 -11.300 11.879 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.635 -11.044 12.476 1.00 0.00 C ATOM 943 CD2 LEU A 61 7.377 -12.021 12.909 1.00 0.00 C ATOM 0 H LEU A 61 8.267 -9.839 9.093 1.00 0.00 H new ATOM 0 HA LEU A 61 5.932 -11.029 10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.365 -9.255 11.191 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.103 -9.537 12.373 1.00 0.00 H new ATOM 0 HG LEU A 61 8.349 -11.919 10.987 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.098 -11.994 12.743 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.258 -10.530 11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.538 -10.425 13.368 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.839 -12.971 13.176 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.279 -11.402 13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.390 -12.204 12.484 1.00 0.00 H new ATOM 955 N PHE A 62 6.131 -8.006 9.414 1.00 0.00 N ATOM 956 CA PHE A 62 5.300 -6.782 9.204 1.00 0.00 C ATOM 957 C PHE A 62 3.930 -7.164 8.639 1.00 0.00 C ATOM 958 O PHE A 62 3.811 -7.599 7.511 1.00 0.00 O ATOM 959 CB PHE A 62 6.081 -5.932 8.196 1.00 0.00 C ATOM 960 CG PHE A 62 5.266 -4.717 7.812 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.291 -4.818 6.811 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.482 -3.492 8.456 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.535 -3.696 6.454 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.724 -2.370 8.099 1.00 0.00 C ATOM 965 CZ PHE A 62 3.751 -2.472 7.098 1.00 0.00 C ATOM 0 H PHE A 62 7.018 -8.021 8.910 1.00 0.00 H new ATOM 0 HA PHE A 62 5.121 -6.243 10.134 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.032 -5.622 8.628 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.311 -6.522 7.309 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.123 -5.762 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.233 -3.413 9.228 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.785 -3.774 5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.890 -1.426 8.596 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.167 -1.606 6.822 1.00 0.00 H new ATOM 975 N ASP A 63 2.895 -6.999 9.417 1.00 0.00 N ATOM 976 CA ASP A 63 1.531 -7.342 8.926 1.00 0.00 C ATOM 977 C ASP A 63 0.986 -6.195 8.072 1.00 0.00 C ATOM 978 O ASP A 63 1.053 -5.043 8.452 1.00 0.00 O ATOM 979 CB ASP A 63 0.687 -7.525 10.188 1.00 0.00 C ATOM 980 CG ASP A 63 0.678 -9.002 10.587 1.00 0.00 C ATOM 981 OD1 ASP A 63 0.174 -9.801 9.815 1.00 0.00 O ATOM 982 OD2 ASP A 63 1.176 -9.310 11.658 1.00 0.00 O ATOM 0 H ASP A 63 2.936 -6.641 10.371 1.00 0.00 H new ATOM 0 HA ASP A 63 1.523 -8.237 8.305 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.092 -6.921 11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.331 -7.179 10.010 1.00 0.00 H new ATOM 987 N PHE A 64 0.458 -6.500 6.920 1.00 0.00 N ATOM 988 CA PHE A 64 -0.081 -5.422 6.040 1.00 0.00 C ATOM 989 C PHE A 64 -1.332 -4.794 6.666 1.00 0.00 C ATOM 990 O PHE A 64 -1.634 -3.640 6.437 1.00 0.00 O ATOM 991 CB PHE A 64 -0.421 -6.123 4.721 1.00 0.00 C ATOM 992 CG PHE A 64 -1.173 -5.174 3.816 1.00 0.00 C ATOM 993 CD1 PHE A 64 -2.571 -5.106 3.881 1.00 0.00 C ATOM 994 CD2 PHE A 64 -0.475 -4.362 2.914 1.00 0.00 C ATOM 995 CE1 PHE A 64 -3.269 -4.228 3.046 1.00 0.00 C ATOM 996 CE2 PHE A 64 -1.174 -3.483 2.079 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.570 -3.416 2.144 1.00 0.00 C ATOM 0 H PHE A 64 0.376 -7.446 6.549 1.00 0.00 H new ATOM 0 HA PHE A 64 0.632 -4.610 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.493 -6.460 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.024 -7.010 4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.110 -5.732 4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.603 -4.414 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.347 -4.176 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.635 -2.856 1.384 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.109 -2.738 1.499 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.065 -5.540 7.448 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.298 -4.972 8.072 1.00 0.00 C ATOM 1009 C LYS A 65 -2.973 -4.341 9.432 1.00 0.00 C ATOM 1010 O LYS A 65 -3.598 -3.381 9.840 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.243 -6.162 8.243 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.653 -5.758 7.804 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.721 -5.718 6.276 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.058 -5.116 5.840 1.00 0.00 C ATOM 1015 NZ LYS A 65 -8.027 -6.246 5.903 1.00 0.00 N ATOM 0 H LYS A 65 -1.866 -6.513 7.682 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.739 -4.185 7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.893 -7.007 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.253 -6.486 9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.383 -6.468 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.907 -4.781 8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.897 -5.125 5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.613 -6.724 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.358 -4.301 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.996 -4.705 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.966 -5.916 5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.710 -7.011 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.083 -6.602 6.879 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.006 -4.868 10.135 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.651 -4.292 11.465 1.00 0.00 C ATOM 1031 C GLN A 66 -0.482 -3.315 11.321 1.00 0.00 C ATOM 1032 O GLN A 66 -0.476 -2.247 11.904 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.244 -5.493 12.323 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.427 -6.454 12.452 1.00 0.00 C ATOM 1035 CD GLN A 66 -1.959 -7.757 13.102 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -1.103 -7.746 13.965 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -2.487 -8.889 12.722 1.00 0.00 N ATOM 0 H GLN A 66 -1.447 -5.671 9.846 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.477 -3.737 11.909 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.394 -6.005 11.871 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.926 -5.157 13.310 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.215 -5.999 13.052 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.852 -6.658 11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.205 -8.899 11.998 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.181 -9.763 13.149 1.00 0.00 H new ATOM 1046 N GLY A 67 0.505 -3.671 10.544 1.00 0.00 N ATOM 1047 CA GLY A 67 1.675 -2.767 10.354 1.00 0.00 C ATOM 1048 C GLY A 67 2.423 -2.611 11.680 1.00 0.00 C ATOM 1049 O GLY A 67 2.450 -1.546 12.263 1.00 0.00 O ATOM 0 H GLY A 67 0.551 -4.552 10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.342 -3.174 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.341 -1.793 9.996 1.00 0.00 H new ATOM 1053 N ILE A 68 3.031 -3.664 12.158 1.00 0.00 N ATOM 1054 CA ILE A 68 3.779 -3.573 13.450 1.00 0.00 C ATOM 1055 C ILE A 68 4.857 -4.658 13.531 1.00 0.00 C ATOM 1056 O ILE A 68 5.270 -5.052 14.604 1.00 0.00 O ATOM 1057 CB ILE A 68 2.726 -3.783 14.544 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.735 -4.871 14.111 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.974 -2.473 14.785 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.940 -5.355 15.323 1.00 0.00 C ATOM 0 H ILE A 68 3.043 -4.582 11.713 1.00 0.00 H new ATOM 0 HA ILE A 68 4.290 -2.615 13.553 1.00 0.00 H new ATOM 0 HB ILE A 68 3.221 -4.095 15.464 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.058 -4.478 13.353 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.271 -5.705 13.659 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.225 -2.621 15.563 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.677 -1.702 15.101 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.483 -2.160 13.863 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.237 -6.128 15.012 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.624 -5.764 16.067 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.391 -4.518 15.756 1.00 0.00 H new ATOM 1072 N LEU A 69 5.318 -5.146 12.406 1.00 0.00 N ATOM 1073 CA LEU A 69 6.372 -6.207 12.417 1.00 0.00 C ATOM 1074 C LEU A 69 5.952 -7.365 13.324 1.00 0.00 C ATOM 1075 O LEU A 69 6.773 -8.022 13.932 1.00 0.00 O ATOM 1076 CB LEU A 69 7.629 -5.522 12.960 1.00 0.00 C ATOM 1077 CG LEU A 69 8.645 -5.363 11.829 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.860 -4.581 12.332 1.00 0.00 C ATOM 1079 CD2 LEU A 69 9.095 -6.746 11.349 1.00 0.00 C ATOM 0 H LEU A 69 5.009 -4.855 11.479 1.00 0.00 H new ATOM 0 HA LEU A 69 6.539 -6.629 11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.375 -4.547 13.376 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.058 -6.112 13.770 1.00 0.00 H new ATOM 0 HG LEU A 69 8.183 -4.821 11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.582 -4.470 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.543 -3.596 12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.322 -5.120 13.159 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.819 -6.633 10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.554 -7.287 12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.232 -7.304 10.986 1.00 0.00 H new