USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 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 Set 1.1: A 31 SER OG : rot -170:sc= 0.453 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -159:sc= 0.565 (180deg=0) USER MOD Set 2.1: A 24 SER OG : rot 77:sc= 1.12 USER MOD Set 2.2: A 28 CYS SG : rot 180:sc= -0.498 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0203 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 27 THR OG1 : rot -120:sc= -1.52! USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.0147 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 9:sc= 1.19 USER MOD Single : A 36 GLN : amide:sc= -2.16 K(o=-2.2,f=-4.7!) USER MOD Single : A 37 SER OG : rot -156:sc= 1.56 USER MOD Single : A 39 THR OG1 : rot -57:sc= 0.257 USER MOD Single : A 45 SER OG : rot 43:sc= 0.444 USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0.00442 (180deg=-0.0326) USER MOD Single : A 50 THR OG1 : rot 80:sc= 0.207 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0167 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 66 GLN : amide:sc= -1.93! K(o=-1.9!,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.081 10.013 9.216 1.00 0.00 N ATOM 56 CA TRP A 5 -2.862 9.153 9.162 1.00 0.00 C ATOM 57 C TRP A 5 -2.485 8.686 10.570 1.00 0.00 C ATOM 58 O TRP A 5 -2.420 9.470 11.497 1.00 0.00 O ATOM 59 CB TRP A 5 -1.768 10.050 8.582 1.00 0.00 C ATOM 60 CG TRP A 5 -1.739 9.903 7.094 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.273 10.783 6.216 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.157 8.831 6.297 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.055 10.318 4.931 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.371 9.120 4.928 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.469 7.649 6.625 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.920 8.266 3.921 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.013 6.788 5.615 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.238 7.096 4.266 1.00 0.00 C ATOM 0 HA TRP A 5 -3.014 8.257 8.560 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.954 11.090 8.852 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.800 9.780 9.004 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.785 11.698 6.475 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.363 10.803 4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.290 7.402 7.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.097 8.507 2.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.514 5.883 5.878 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.116 6.429 3.494 1.00 0.00 H new ATOM 79 N LEU A 6 -2.239 7.416 10.734 1.00 0.00 N ATOM 80 CA LEU A 6 -1.868 6.888 12.080 1.00 0.00 C ATOM 81 C LEU A 6 -0.382 6.519 12.111 1.00 0.00 C ATOM 82 O LEU A 6 0.241 6.335 11.086 1.00 0.00 O ATOM 83 CB LEU A 6 -2.736 5.642 12.270 1.00 0.00 C ATOM 84 CG LEU A 6 -4.214 6.031 12.185 1.00 0.00 C ATOM 85 CD1 LEU A 6 -5.076 4.766 12.172 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.587 6.894 13.394 1.00 0.00 C ATOM 0 H LEU A 6 -2.279 6.717 9.992 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.029 7.620 12.871 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.500 4.901 11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.525 5.183 13.236 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.388 6.597 11.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.128 5.043 12.111 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.812 4.154 11.309 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.903 4.198 13.086 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.640 7.171 13.333 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.413 6.331 14.311 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.975 7.796 13.400 1.00 0.00 H new ATOM 98 N ASP A 7 0.188 6.417 13.280 1.00 0.00 N ATOM 99 CA ASP A 7 1.635 6.065 13.380 1.00 0.00 C ATOM 100 C ASP A 7 1.871 4.622 12.920 1.00 0.00 C ATOM 101 O ASP A 7 0.971 3.806 12.911 1.00 0.00 O ATOM 102 CB ASP A 7 1.976 6.217 14.864 1.00 0.00 C ATOM 103 CG ASP A 7 2.082 7.703 15.216 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.048 8.317 15.423 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.194 8.200 15.272 1.00 0.00 O ATOM 0 H ASP A 7 -0.285 6.562 14.172 1.00 0.00 H new ATOM 0 HA ASP A 7 2.256 6.700 12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.208 5.742 15.475 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.917 5.712 15.085 1.00 0.00 H new ATOM 110 N CYS A 8 3.082 4.308 12.545 1.00 0.00 N ATOM 111 CA CYS A 8 3.404 2.925 12.090 1.00 0.00 C ATOM 112 C CYS A 8 4.740 2.497 12.710 1.00 0.00 C ATOM 113 O CYS A 8 5.780 2.615 12.090 1.00 0.00 O ATOM 114 CB CYS A 8 3.507 3.024 10.567 1.00 0.00 C ATOM 115 SG CYS A 8 3.931 1.405 9.875 1.00 0.00 S ATOM 0 H CYS A 8 3.869 4.957 12.535 1.00 0.00 H new ATOM 0 HA CYS A 8 2.657 2.188 12.386 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.561 3.371 10.151 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.265 3.757 10.291 1.00 0.00 H new ATOM 0 HG CYS A 8 4.015 1.495 8.581 1.00 0.00 H new ATOM 121 N PRO A 9 4.662 2.032 13.929 1.00 0.00 N ATOM 122 CA PRO A 9 5.877 1.603 14.671 1.00 0.00 C ATOM 123 C PRO A 9 6.474 0.311 14.118 1.00 0.00 C ATOM 124 O PRO A 9 7.519 -0.126 14.562 1.00 0.00 O ATOM 125 CB PRO A 9 5.372 1.376 16.089 1.00 0.00 C ATOM 126 CG PRO A 9 3.909 1.107 15.943 1.00 0.00 C ATOM 127 CD PRO A 9 3.444 1.862 14.729 1.00 0.00 C ATOM 0 HA PRO A 9 6.672 2.345 14.597 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.882 0.536 16.559 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.552 2.249 16.716 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.722 0.039 15.828 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.366 1.432 16.831 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.681 1.308 14.182 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.007 2.823 15.000 1.00 0.00 H new ATOM 135 N ALA A 10 5.836 -0.319 13.173 1.00 0.00 N ATOM 136 CA ALA A 10 6.402 -1.586 12.637 1.00 0.00 C ATOM 137 C ALA A 10 7.834 -1.359 12.147 1.00 0.00 C ATOM 138 O ALA A 10 8.752 -2.048 12.541 1.00 0.00 O ATOM 139 CB ALA A 10 5.492 -1.978 11.474 1.00 0.00 C ATOM 0 H ALA A 10 4.957 -0.016 12.753 1.00 0.00 H new ATOM 0 HA ALA A 10 6.444 -2.368 13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.850 -2.906 11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.475 -2.119 11.839 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.501 -1.188 10.723 1.00 0.00 H new ATOM 145 N LEU A 11 8.028 -0.395 11.289 1.00 0.00 N ATOM 146 CA LEU A 11 9.397 -0.121 10.765 1.00 0.00 C ATOM 147 C LEU A 11 10.198 0.734 11.756 1.00 0.00 C ATOM 148 O LEU A 11 11.159 0.276 12.341 1.00 0.00 O ATOM 149 CB LEU A 11 9.168 0.636 9.460 1.00 0.00 C ATOM 150 CG LEU A 11 8.559 -0.311 8.420 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.191 0.217 7.975 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.490 -0.409 7.206 1.00 0.00 C ATOM 0 H LEU A 11 7.296 0.216 10.927 1.00 0.00 H new ATOM 0 HA LEU A 11 9.971 -1.035 10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.503 1.483 9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.111 1.040 9.091 1.00 0.00 H new ATOM 0 HG LEU A 11 8.436 -1.299 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.763 -0.460 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.527 0.280 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.309 1.207 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.055 -1.083 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.618 0.579 6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.460 -0.793 7.521 1.00 0.00 H new ATOM 164 N GLY A 12 9.817 1.973 11.945 1.00 0.00 N ATOM 165 CA GLY A 12 10.572 2.843 12.895 1.00 0.00 C ATOM 166 C GLY A 12 9.906 4.223 12.996 1.00 0.00 C ATOM 167 O GLY A 12 8.744 4.375 12.674 1.00 0.00 O ATOM 0 H GLY A 12 9.021 2.416 11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.606 2.375 13.879 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.603 2.953 12.558 1.00 0.00 H new ATOM 171 N PRO A 13 10.672 5.185 13.452 1.00 0.00 N ATOM 172 CA PRO A 13 10.153 6.569 13.610 1.00 0.00 C ATOM 173 C PRO A 13 9.995 7.258 12.250 1.00 0.00 C ATOM 174 O PRO A 13 10.846 7.159 11.389 1.00 0.00 O ATOM 175 CB PRO A 13 11.229 7.264 14.440 1.00 0.00 C ATOM 176 CG PRO A 13 12.484 6.495 14.172 1.00 0.00 C ATOM 177 CD PRO A 13 12.080 5.077 13.861 1.00 0.00 C ATOM 0 HA PRO A 13 9.168 6.596 14.076 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.337 8.309 14.150 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.978 7.252 15.501 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.031 6.931 13.336 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.146 6.525 15.037 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.694 4.653 13.067 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.194 4.430 14.731 1.00 0.00 H new ATOM 185 N GLY A 14 8.905 7.955 12.057 1.00 0.00 N ATOM 186 CA GLY A 14 8.670 8.657 10.761 1.00 0.00 C ATOM 187 C GLY A 14 7.621 7.886 9.961 1.00 0.00 C ATOM 188 O GLY A 14 6.832 8.460 9.234 1.00 0.00 O ATOM 0 H GLY A 14 8.163 8.068 12.747 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.331 9.677 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.599 8.725 10.196 1.00 0.00 H new ATOM 192 N TRP A 15 7.623 6.586 10.075 1.00 0.00 N ATOM 193 CA TRP A 15 6.646 5.756 9.312 1.00 0.00 C ATOM 194 C TRP A 15 5.207 6.120 9.684 1.00 0.00 C ATOM 195 O TRP A 15 4.901 6.404 10.826 1.00 0.00 O ATOM 196 CB TRP A 15 6.952 4.315 9.719 1.00 0.00 C ATOM 197 CG TRP A 15 7.986 3.744 8.804 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.308 3.657 9.080 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.807 3.179 7.474 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.949 3.067 8.006 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.067 2.757 6.989 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.683 2.993 6.649 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.209 2.172 5.731 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.821 2.405 5.381 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.081 1.995 4.924 1.00 0.00 C ATOM 0 H TRP A 15 8.264 6.059 10.668 1.00 0.00 H new ATOM 0 HA TRP A 15 6.736 5.913 8.237 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.307 4.285 10.749 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.044 3.714 9.677 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.784 3.993 9.989 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.952 2.883 7.969 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.708 3.304 6.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.182 1.858 5.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.952 2.268 4.755 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.181 1.542 3.949 1.00 0.00 H new ATOM 216 N LYS A 16 4.320 6.101 8.725 1.00 0.00 N ATOM 217 CA LYS A 16 2.892 6.432 9.011 1.00 0.00 C ATOM 218 C LYS A 16 1.977 5.491 8.222 1.00 0.00 C ATOM 219 O LYS A 16 2.313 5.053 7.139 1.00 0.00 O ATOM 220 CB LYS A 16 2.713 7.878 8.541 1.00 0.00 C ATOM 221 CG LYS A 16 2.603 8.800 9.757 1.00 0.00 C ATOM 222 CD LYS A 16 3.986 9.353 10.106 1.00 0.00 C ATOM 223 CE LYS A 16 3.836 10.724 10.769 1.00 0.00 C ATOM 224 NZ LYS A 16 3.923 11.702 9.650 1.00 0.00 N ATOM 0 H LYS A 16 4.523 5.870 7.752 1.00 0.00 H new ATOM 0 HA LYS A 16 2.641 6.319 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.557 8.177 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.818 7.963 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.915 9.619 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.194 8.252 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.505 8.668 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.593 9.438 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.884 10.807 11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.621 10.895 11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.829 12.668 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.842 11.604 9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.159 11.519 8.969 1.00 0.00 H new ATOM 238 N ARG A 17 0.827 5.171 8.755 1.00 0.00 N ATOM 239 CA ARG A 17 -0.095 4.251 8.031 1.00 0.00 C ATOM 240 C ARG A 17 -1.516 4.829 7.979 1.00 0.00 C ATOM 241 O ARG A 17 -1.954 5.514 8.880 1.00 0.00 O ATOM 242 CB ARG A 17 -0.062 2.945 8.833 1.00 0.00 C ATOM 243 CG ARG A 17 -0.643 3.162 10.234 1.00 0.00 C ATOM 244 CD ARG A 17 -1.732 2.117 10.502 1.00 0.00 C ATOM 245 NE ARG A 17 -1.568 1.750 11.935 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.610 1.417 12.646 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.025 0.180 12.657 1.00 0.00 N ATOM 248 NH2 ARG A 17 -3.238 2.323 13.344 1.00 0.00 N ATOM 0 H ARG A 17 0.488 5.506 9.657 1.00 0.00 H new ATOM 0 HA ARG A 17 0.208 4.100 6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.632 2.176 8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.964 2.584 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.145 3.082 10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.059 4.166 10.315 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.725 2.523 10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.613 1.248 9.856 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.641 1.759 12.361 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.535 -0.527 12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.840 -0.080 13.213 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.914 3.290 13.333 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.053 2.064 13.900 1.00 0.00 H new ATOM 262 N ARG A 18 -2.232 4.551 6.925 1.00 0.00 N ATOM 263 CA ARG A 18 -3.624 5.068 6.796 1.00 0.00 C ATOM 264 C ARG A 18 -4.545 3.948 6.306 1.00 0.00 C ATOM 265 O ARG A 18 -4.137 3.085 5.555 1.00 0.00 O ATOM 266 CB ARG A 18 -3.535 6.189 5.757 1.00 0.00 C ATOM 267 CG ARG A 18 -4.922 6.795 5.531 1.00 0.00 C ATOM 268 CD ARG A 18 -4.785 8.114 4.767 1.00 0.00 C ATOM 269 NE ARG A 18 -4.278 7.730 3.422 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.550 8.473 2.383 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.453 9.773 2.467 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.916 7.918 1.261 1.00 0.00 N ATOM 0 H ARG A 18 -1.910 3.983 6.141 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.029 5.427 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.842 6.959 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.141 5.798 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.547 6.100 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.416 6.966 6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.743 8.630 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.095 8.792 5.270 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.717 6.885 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.165 10.207 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.665 10.354 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.990 6.903 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.128 8.499 0.450 1.00 0.00 H new ATOM 286 N GLU A 19 -5.782 3.951 6.726 1.00 0.00 N ATOM 287 CA GLU A 19 -6.722 2.880 6.284 1.00 0.00 C ATOM 288 C GLU A 19 -7.631 3.397 5.164 1.00 0.00 C ATOM 289 O GLU A 19 -8.001 4.555 5.137 1.00 0.00 O ATOM 290 CB GLU A 19 -7.545 2.532 7.527 1.00 0.00 C ATOM 291 CG GLU A 19 -7.273 1.081 7.932 1.00 0.00 C ATOM 292 CD GLU A 19 -8.172 0.703 9.111 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.369 0.914 9.009 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.648 0.210 10.096 1.00 0.00 O ATOM 0 H GLU A 19 -6.182 4.647 7.355 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.196 2.011 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.287 3.203 8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.607 2.671 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.461 0.416 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.225 0.959 8.206 1.00 0.00 H new ATOM 301 N VAL A 20 -7.992 2.546 4.242 1.00 0.00 N ATOM 302 CA VAL A 20 -8.878 2.983 3.123 1.00 0.00 C ATOM 303 C VAL A 20 -10.020 1.981 2.937 1.00 0.00 C ATOM 304 O VAL A 20 -9.867 0.974 2.275 1.00 0.00 O ATOM 305 CB VAL A 20 -7.985 3.005 1.881 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.755 3.622 0.712 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.734 3.841 2.161 1.00 0.00 C ATOM 0 H VAL A 20 -7.712 1.566 4.215 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.328 3.957 3.315 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.691 1.986 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.120 3.638 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.646 3.028 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.049 4.640 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.100 3.855 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.027 4.860 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.183 3.404 2.994 1.00 0.00 H new ATOM 317 N PHE A 21 -11.161 2.249 3.513 1.00 0.00 N ATOM 318 CA PHE A 21 -12.313 1.308 3.367 1.00 0.00 C ATOM 319 C PHE A 21 -13.053 1.566 2.050 1.00 0.00 C ATOM 320 O PHE A 21 -14.266 1.604 2.010 1.00 0.00 O ATOM 321 CB PHE A 21 -13.221 1.608 4.562 1.00 0.00 C ATOM 322 CG PHE A 21 -13.058 0.526 5.604 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.669 -0.720 5.420 1.00 0.00 C ATOM 324 CD2 PHE A 21 -12.295 0.769 6.752 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.518 -1.724 6.384 1.00 0.00 C ATOM 326 CE2 PHE A 21 -12.144 -0.235 7.717 1.00 0.00 C ATOM 327 CZ PHE A 21 -12.755 -1.481 7.533 1.00 0.00 C ATOM 0 H PHE A 21 -11.347 3.078 4.078 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.993 0.266 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.969 2.579 4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.260 1.662 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.257 -0.907 4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -11.823 1.730 6.894 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.990 -2.685 6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -11.556 -0.048 8.603 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.638 -2.255 8.277 1.00 0.00 H new ATOM 337 N ARG A 22 -12.329 1.726 0.969 1.00 0.00 N ATOM 338 CA ARG A 22 -12.975 1.971 -0.357 1.00 0.00 C ATOM 339 C ARG A 22 -13.977 3.130 -0.277 1.00 0.00 C ATOM 340 O ARG A 22 -14.330 3.593 0.790 1.00 0.00 O ATOM 341 CB ARG A 22 -13.704 0.670 -0.681 1.00 0.00 C ATOM 342 CG ARG A 22 -12.855 -0.172 -1.631 1.00 0.00 C ATOM 343 CD ARG A 22 -12.731 0.539 -2.979 1.00 0.00 C ATOM 344 NE ARG A 22 -11.278 0.503 -3.301 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.680 -0.633 -3.541 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.687 -1.132 -4.744 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.068 -1.265 -2.578 1.00 0.00 N ATOM 0 H ARG A 22 -11.310 1.697 0.949 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.244 2.244 -1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.901 0.114 0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.670 0.887 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.866 -0.335 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.309 -1.153 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.318 0.035 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.097 1.564 -2.920 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.745 1.372 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.160 -0.636 -5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.220 -2.019 -4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.056 -0.872 -1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.601 -2.152 -2.766 1.00 0.00 H new ATOM 361 N LYS A 23 -14.435 3.600 -1.404 1.00 0.00 N ATOM 362 CA LYS A 23 -15.416 4.721 -1.401 1.00 0.00 C ATOM 363 C LYS A 23 -16.560 4.431 -2.381 1.00 0.00 C ATOM 364 O LYS A 23 -17.681 4.850 -2.167 1.00 0.00 O ATOM 365 CB LYS A 23 -14.621 5.947 -1.849 1.00 0.00 C ATOM 366 CG LYS A 23 -15.124 7.190 -1.108 1.00 0.00 C ATOM 367 CD LYS A 23 -14.776 7.087 0.382 1.00 0.00 C ATOM 368 CE LYS A 23 -13.263 6.919 0.551 1.00 0.00 C ATOM 369 NZ LYS A 23 -13.013 7.141 2.002 1.00 0.00 N ATOM 0 H LYS A 23 -14.172 3.256 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.870 4.867 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.560 5.797 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.726 6.086 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.672 8.086 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.203 7.286 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.113 7.981 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.297 6.240 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.939 5.925 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.715 7.637 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.996 7.043 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.326 8.097 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.542 6.438 2.557 1.00 0.00 H new ATOM 383 N SER A 24 -16.289 3.711 -3.449 1.00 0.00 N ATOM 384 CA SER A 24 -17.367 3.386 -4.449 1.00 0.00 C ATOM 385 C SER A 24 -16.757 2.892 -5.765 1.00 0.00 C ATOM 386 O SER A 24 -15.589 2.562 -5.838 1.00 0.00 O ATOM 387 CB SER A 24 -18.127 4.696 -4.694 1.00 0.00 C ATOM 388 OG SER A 24 -19.359 4.663 -3.986 1.00 0.00 O ATOM 0 H SER A 24 -15.368 3.334 -3.673 1.00 0.00 H new ATOM 0 HA SER A 24 -18.020 2.597 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.528 5.545 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.310 4.830 -5.760 1.00 0.00 H new ATOM 0 HG SER A 24 -19.194 4.832 -3.035 1.00 0.00 H new ATOM 394 N GLY A 25 -17.548 2.845 -6.809 1.00 0.00 N ATOM 395 CA GLY A 25 -17.030 2.381 -8.130 1.00 0.00 C ATOM 396 C GLY A 25 -17.462 0.935 -8.376 1.00 0.00 C ATOM 397 O GLY A 25 -18.237 0.644 -9.266 1.00 0.00 O ATOM 0 H GLY A 25 -18.533 3.109 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.408 3.024 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.943 2.454 -8.151 1.00 0.00 H new ATOM 401 N ALA A 26 -16.954 0.030 -7.590 1.00 0.00 N ATOM 402 CA ALA A 26 -17.302 -1.413 -7.748 1.00 0.00 C ATOM 403 C ALA A 26 -16.623 -2.202 -6.630 1.00 0.00 C ATOM 404 O ALA A 26 -17.192 -3.099 -6.041 1.00 0.00 O ATOM 405 CB ALA A 26 -16.732 -1.818 -9.110 1.00 0.00 C ATOM 0 H ALA A 26 -16.302 0.230 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.374 -1.603 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.949 -2.870 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.188 -1.209 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.653 -1.664 -9.113 1.00 0.00 H new ATOM 411 N THR A 27 -15.409 -1.839 -6.332 1.00 0.00 N ATOM 412 CA THR A 27 -14.651 -2.514 -5.244 1.00 0.00 C ATOM 413 C THR A 27 -15.121 -1.989 -3.881 1.00 0.00 C ATOM 414 O THR A 27 -14.650 -2.418 -2.848 1.00 0.00 O ATOM 415 CB THR A 27 -13.192 -2.117 -5.501 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.116 -0.714 -5.727 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.668 -2.867 -6.730 1.00 0.00 C ATOM 0 H THR A 27 -14.901 -1.091 -6.804 1.00 0.00 H new ATOM 0 HA THR A 27 -14.790 -3.595 -5.233 1.00 0.00 H new ATOM 0 HB THR A 27 -12.585 -2.377 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.745 -0.546 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.631 -2.585 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.727 -3.941 -6.553 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.273 -2.609 -7.599 1.00 0.00 H new ATOM 425 N CYS A 28 -16.046 -1.054 -3.882 1.00 0.00 N ATOM 426 CA CYS A 28 -16.563 -0.471 -2.605 1.00 0.00 C ATOM 427 C CYS A 28 -16.733 -1.539 -1.520 1.00 0.00 C ATOM 428 O CYS A 28 -17.322 -2.580 -1.743 1.00 0.00 O ATOM 429 CB CYS A 28 -17.921 0.126 -2.973 1.00 0.00 C ATOM 430 SG CYS A 28 -18.432 1.297 -1.691 1.00 0.00 S ATOM 0 H CYS A 28 -16.468 -0.667 -4.726 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.871 0.266 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.859 0.630 -3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.663 -0.666 -3.074 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.586 1.807 -2.004 1.00 0.00 H new ATOM 436 N GLY A 29 -16.232 -1.279 -0.341 1.00 0.00 N ATOM 437 CA GLY A 29 -16.374 -2.269 0.769 1.00 0.00 C ATOM 438 C GLY A 29 -15.009 -2.855 1.150 1.00 0.00 C ATOM 439 O GLY A 29 -14.859 -3.456 2.196 1.00 0.00 O ATOM 0 H GLY A 29 -15.731 -0.425 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.824 -1.787 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.047 -3.070 0.464 1.00 0.00 H new ATOM 443 N ARG A 30 -14.015 -2.698 0.315 1.00 0.00 N ATOM 444 CA ARG A 30 -12.670 -3.260 0.644 1.00 0.00 C ATOM 445 C ARG A 30 -11.890 -2.297 1.545 1.00 0.00 C ATOM 446 O ARG A 30 -12.085 -1.098 1.504 1.00 0.00 O ATOM 447 CB ARG A 30 -11.964 -3.425 -0.702 1.00 0.00 C ATOM 448 CG ARG A 30 -12.325 -4.783 -1.307 1.00 0.00 C ATOM 449 CD ARG A 30 -11.388 -5.086 -2.478 1.00 0.00 C ATOM 450 NE ARG A 30 -11.764 -6.456 -2.926 1.00 0.00 N ATOM 451 CZ ARG A 30 -10.868 -7.405 -2.945 1.00 0.00 C ATOM 452 NH1 ARG A 30 -10.319 -7.806 -1.831 1.00 0.00 N ATOM 453 NH2 ARG A 30 -10.520 -7.951 -4.078 1.00 0.00 N ATOM 0 H ARG A 30 -14.075 -2.207 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.745 -4.204 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.259 -2.624 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.885 -3.350 -0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.243 -5.563 -0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.360 -4.777 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.512 -4.360 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.344 -5.044 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.721 -6.652 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.590 -7.378 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.619 -8.548 -1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.948 -7.636 -4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.820 -8.693 -4.093 1.00 0.00 H new ATOM 467 N SER A 31 -11.007 -2.817 2.358 1.00 0.00 N ATOM 468 CA SER A 31 -10.211 -1.937 3.262 1.00 0.00 C ATOM 469 C SER A 31 -8.718 -2.076 2.960 1.00 0.00 C ATOM 470 O SER A 31 -8.096 -3.067 3.290 1.00 0.00 O ATOM 471 CB SER A 31 -10.523 -2.432 4.673 1.00 0.00 C ATOM 472 OG SER A 31 -10.256 -3.826 4.752 1.00 0.00 O ATOM 0 H SER A 31 -10.803 -3.814 2.434 1.00 0.00 H new ATOM 0 HA SER A 31 -10.461 -0.884 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.918 -1.892 5.402 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.567 -2.236 4.917 1.00 0.00 H new ATOM 0 HG SER A 31 -10.601 -4.178 5.599 1.00 0.00 H new ATOM 478 N ASP A 32 -8.141 -1.086 2.335 1.00 0.00 N ATOM 479 CA ASP A 32 -6.688 -1.152 2.005 1.00 0.00 C ATOM 480 C ASP A 32 -5.904 -0.169 2.875 1.00 0.00 C ATOM 481 O ASP A 32 -6.223 1.000 2.950 1.00 0.00 O ATOM 482 CB ASP A 32 -6.601 -0.763 0.530 1.00 0.00 C ATOM 483 CG ASP A 32 -7.101 -1.922 -0.333 1.00 0.00 C ATOM 484 OD1 ASP A 32 -6.642 -3.033 -0.122 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.935 -1.679 -1.188 1.00 0.00 O ATOM 0 H ASP A 32 -8.614 -0.232 2.038 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.264 -2.139 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.199 0.129 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.572 -0.518 0.268 1.00 0.00 H new ATOM 490 N THR A 33 -4.881 -0.639 3.535 1.00 0.00 N ATOM 491 CA THR A 33 -4.077 0.263 4.404 1.00 0.00 C ATOM 492 C THR A 33 -2.811 0.706 3.670 1.00 0.00 C ATOM 493 O THR A 33 -2.010 -0.105 3.251 1.00 0.00 O ATOM 494 CB THR A 33 -3.723 -0.578 5.631 1.00 0.00 C ATOM 495 OG1 THR A 33 -4.875 -1.288 6.064 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.232 0.336 6.754 1.00 0.00 C ATOM 0 H THR A 33 -4.568 -1.609 3.509 1.00 0.00 H new ATOM 0 HA THR A 33 -4.620 1.168 4.677 1.00 0.00 H new ATOM 0 HB THR A 33 -2.935 -1.286 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.697 -1.701 6.935 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.980 -0.265 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.348 0.880 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.017 1.045 7.015 1.00 0.00 H new ATOM 504 N TYR A 34 -2.631 1.988 3.510 1.00 0.00 N ATOM 505 CA TYR A 34 -1.421 2.491 2.802 1.00 0.00 C ATOM 506 C TYR A 34 -0.448 3.103 3.814 1.00 0.00 C ATOM 507 O TYR A 34 -0.856 3.697 4.792 1.00 0.00 O ATOM 508 CB TYR A 34 -1.946 3.556 1.843 1.00 0.00 C ATOM 509 CG TYR A 34 -2.856 2.903 0.834 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.147 2.506 1.204 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.408 2.688 -0.472 1.00 0.00 C ATOM 512 CE1 TYR A 34 -4.987 1.899 0.268 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.248 2.079 -1.409 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.539 1.685 -1.041 1.00 0.00 C ATOM 515 OH TYR A 34 -5.368 1.084 -1.965 1.00 0.00 O ATOM 0 H TYR A 34 -3.271 2.710 3.840 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.881 1.704 2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.486 4.326 2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.116 4.049 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.493 2.669 2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.412 2.993 -0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.983 1.594 0.554 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.900 1.913 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.902 1.012 -2.824 1.00 0.00 H new ATOM 525 N TYR A 35 0.831 2.961 3.595 1.00 0.00 N ATOM 526 CA TYR A 35 1.816 3.535 4.563 1.00 0.00 C ATOM 527 C TYR A 35 2.943 4.247 3.819 1.00 0.00 C ATOM 528 O TYR A 35 3.187 3.999 2.659 1.00 0.00 O ATOM 529 CB TYR A 35 2.386 2.348 5.356 1.00 0.00 C ATOM 530 CG TYR A 35 1.539 1.114 5.154 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.719 0.319 4.017 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.571 0.770 6.104 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.932 -0.822 3.830 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.216 -0.369 5.917 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.036 -1.165 4.781 1.00 0.00 C ATOM 536 OH TYR A 35 -0.812 -2.286 4.598 1.00 0.00 O ATOM 0 H TYR A 35 1.237 2.476 2.794 1.00 0.00 H new ATOM 0 HA TYR A 35 1.339 4.265 5.218 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.409 2.149 5.037 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.426 2.598 6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.466 0.586 3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.432 1.385 6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.071 -1.437 2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.964 -0.635 6.650 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.468 -2.802 3.839 1.00 0.00 H new ATOM 546 N GLN A 36 3.640 5.118 4.494 1.00 0.00 N ATOM 547 CA GLN A 36 4.771 5.843 3.850 1.00 0.00 C ATOM 548 C GLN A 36 6.029 5.651 4.694 1.00 0.00 C ATOM 549 O GLN A 36 5.960 5.525 5.905 1.00 0.00 O ATOM 550 CB GLN A 36 4.342 7.317 3.831 1.00 0.00 C ATOM 551 CG GLN A 36 5.555 8.226 3.560 1.00 0.00 C ATOM 552 CD GLN A 36 5.899 9.014 4.826 1.00 0.00 C ATOM 553 OE1 GLN A 36 5.524 8.630 5.916 1.00 0.00 O ATOM 554 NE2 GLN A 36 6.601 10.109 4.726 1.00 0.00 N ATOM 0 H GLN A 36 3.474 5.360 5.471 1.00 0.00 H new ATOM 0 HA GLN A 36 4.993 5.484 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.585 7.472 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.887 7.582 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.410 7.625 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.333 8.911 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.916 10.431 3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.835 10.643 5.563 1.00 0.00 H new ATOM 563 N SER A 37 7.176 5.639 4.068 1.00 0.00 N ATOM 564 CA SER A 37 8.449 5.469 4.831 1.00 0.00 C ATOM 565 C SER A 37 8.514 6.517 5.949 1.00 0.00 C ATOM 566 O SER A 37 7.573 7.262 6.142 1.00 0.00 O ATOM 567 CB SER A 37 9.557 5.697 3.797 1.00 0.00 C ATOM 568 OG SER A 37 9.108 5.259 2.520 1.00 0.00 O ATOM 0 H SER A 37 7.287 5.740 3.059 1.00 0.00 H new ATOM 0 HA SER A 37 8.539 4.491 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.822 6.754 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.456 5.153 4.085 1.00 0.00 H new ATOM 0 HG SER A 37 9.881 5.045 1.957 1.00 0.00 H new ATOM 574 N PRO A 38 9.611 6.562 6.658 1.00 0.00 N ATOM 575 CA PRO A 38 9.728 7.546 7.747 1.00 0.00 C ATOM 576 C PRO A 38 9.979 8.932 7.158 1.00 0.00 C ATOM 577 O PRO A 38 9.862 9.937 7.829 1.00 0.00 O ATOM 578 CB PRO A 38 10.911 7.048 8.566 1.00 0.00 C ATOM 579 CG PRO A 38 11.733 6.232 7.621 1.00 0.00 C ATOM 580 CD PRO A 38 10.820 5.742 6.520 1.00 0.00 C ATOM 0 HA PRO A 38 8.830 7.637 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.487 7.880 8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.578 6.450 9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.545 6.830 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.190 5.390 8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.277 5.869 5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.596 4.681 6.632 1.00 0.00 H new ATOM 588 N THR A 39 10.309 8.980 5.895 1.00 0.00 N ATOM 589 CA THR A 39 10.563 10.279 5.216 1.00 0.00 C ATOM 590 C THR A 39 10.905 10.000 3.750 1.00 0.00 C ATOM 591 O THR A 39 11.848 10.538 3.205 1.00 0.00 O ATOM 592 CB THR A 39 11.753 10.894 5.964 1.00 0.00 C ATOM 593 OG1 THR A 39 11.987 12.209 5.482 1.00 0.00 O ATOM 594 CG2 THR A 39 13.004 10.038 5.746 1.00 0.00 C ATOM 0 H THR A 39 10.414 8.160 5.298 1.00 0.00 H new ATOM 0 HA THR A 39 9.708 10.955 5.230 1.00 0.00 H new ATOM 0 HB THR A 39 11.527 10.931 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.135 12.181 4.514 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.845 10.480 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.825 9.030 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.233 9.993 4.681 1.00 0.00 H new ATOM 602 N GLY A 40 10.154 9.128 3.121 1.00 0.00 N ATOM 603 CA GLY A 40 10.442 8.773 1.704 1.00 0.00 C ATOM 604 C GLY A 40 9.242 9.082 0.805 1.00 0.00 C ATOM 605 O GLY A 40 8.862 10.222 0.625 1.00 0.00 O ATOM 0 H GLY A 40 9.353 8.648 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.313 9.328 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.690 7.714 1.634 1.00 0.00 H new ATOM 609 N ASP A 41 8.659 8.065 0.223 1.00 0.00 N ATOM 610 CA ASP A 41 7.497 8.278 -0.688 1.00 0.00 C ATOM 611 C ASP A 41 6.243 7.609 -0.121 1.00 0.00 C ATOM 612 O ASP A 41 6.109 7.437 1.072 1.00 0.00 O ATOM 613 CB ASP A 41 7.913 7.617 -2.003 1.00 0.00 C ATOM 614 CG ASP A 41 7.618 8.561 -3.171 1.00 0.00 C ATOM 615 OD1 ASP A 41 6.497 8.543 -3.653 1.00 0.00 O ATOM 616 OD2 ASP A 41 8.519 9.285 -3.563 1.00 0.00 O ATOM 0 H ASP A 41 8.940 7.092 0.341 1.00 0.00 H new ATOM 0 HA ASP A 41 7.256 9.333 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.975 7.374 -1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.374 6.679 -2.136 1.00 0.00 H new ATOM 621 N ARG A 42 5.320 7.232 -0.969 1.00 0.00 N ATOM 622 CA ARG A 42 4.073 6.582 -0.472 1.00 0.00 C ATOM 623 C ARG A 42 4.063 5.086 -0.811 1.00 0.00 C ATOM 624 O ARG A 42 4.030 4.696 -1.962 1.00 0.00 O ATOM 625 CB ARG A 42 2.935 7.307 -1.195 1.00 0.00 C ATOM 626 CG ARG A 42 2.195 8.218 -0.212 1.00 0.00 C ATOM 627 CD ARG A 42 3.152 9.289 0.320 1.00 0.00 C ATOM 628 NE ARG A 42 3.183 10.337 -0.737 1.00 0.00 N ATOM 629 CZ ARG A 42 3.060 11.595 -0.413 1.00 0.00 C ATOM 630 NH1 ARG A 42 2.113 11.970 0.401 1.00 0.00 N ATOM 631 NH2 ARG A 42 3.888 12.479 -0.903 1.00 0.00 N ATOM 0 H ARG A 42 5.377 7.346 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 42 3.982 6.652 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.333 7.896 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.244 6.582 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.346 8.689 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.797 7.630 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.801 9.695 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.146 8.878 0.497 1.00 0.00 H new ATOM 0 HE ARG A 42 3.300 10.072 -1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.468 11.280 0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.018 12.954 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.630 12.186 -1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.792 13.463 -0.650 1.00 0.00 H new ATOM 645 N ILE A 43 4.072 4.252 0.194 1.00 0.00 N ATOM 646 CA ILE A 43 4.043 2.777 -0.038 1.00 0.00 C ATOM 647 C ILE A 43 2.609 2.271 0.154 1.00 0.00 C ATOM 648 O ILE A 43 1.815 2.888 0.837 1.00 0.00 O ATOM 649 CB ILE A 43 4.999 2.204 1.018 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.439 2.380 0.530 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.720 0.714 1.248 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.399 2.249 1.712 1.00 0.00 C ATOM 0 H ILE A 43 4.098 4.531 1.175 1.00 0.00 H new ATOM 0 HA ILE A 43 4.347 2.482 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 43 4.850 2.735 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.672 1.630 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.557 3.355 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.408 0.327 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.694 0.585 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.859 0.169 0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.424 2.374 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.171 3.016 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.287 1.263 2.164 1.00 0.00 H new ATOM 664 N ARG A 44 2.261 1.169 -0.457 1.00 0.00 N ATOM 665 CA ARG A 44 0.865 0.656 -0.320 1.00 0.00 C ATOM 666 C ARG A 44 0.843 -0.785 0.204 1.00 0.00 C ATOM 667 O ARG A 44 -0.203 -1.302 0.545 1.00 0.00 O ATOM 668 CB ARG A 44 0.280 0.707 -1.736 1.00 0.00 C ATOM 669 CG ARG A 44 0.558 2.071 -2.370 1.00 0.00 C ATOM 670 CD ARG A 44 -0.434 2.319 -3.508 1.00 0.00 C ATOM 671 NE ARG A 44 -0.880 3.726 -3.325 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.841 4.559 -4.329 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.481 4.280 -5.432 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.162 5.668 -4.230 1.00 0.00 N ATOM 0 H ARG A 44 2.878 0.605 -1.041 1.00 0.00 H new ATOM 0 HA ARG A 44 0.295 1.252 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.717 -0.083 -2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.794 0.526 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.470 2.857 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.579 2.106 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.037 2.177 -4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.275 1.628 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.216 4.040 -2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.011 3.412 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.451 4.930 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.339 5.884 -3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.131 6.319 -5.015 1.00 0.00 H new ATOM 688 N SER A 45 1.969 -1.449 0.264 1.00 0.00 N ATOM 689 CA SER A 45 1.957 -2.857 0.759 1.00 0.00 C ATOM 690 C SER A 45 3.303 -3.230 1.387 1.00 0.00 C ATOM 691 O SER A 45 4.121 -2.378 1.673 1.00 0.00 O ATOM 692 CB SER A 45 1.683 -3.700 -0.484 1.00 0.00 C ATOM 693 OG SER A 45 0.280 -3.896 -0.618 1.00 0.00 O ATOM 0 H SER A 45 2.883 -1.084 -0.004 1.00 0.00 H new ATOM 0 HA SER A 45 1.209 -3.013 1.537 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.079 -3.203 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.190 -4.661 -0.405 1.00 0.00 H new ATOM 0 HG SER A 45 -0.187 -3.056 -0.426 1.00 0.00 H new ATOM 699 N LYS A 46 3.533 -4.499 1.608 1.00 0.00 N ATOM 700 CA LYS A 46 4.821 -4.929 2.222 1.00 0.00 C ATOM 701 C LYS A 46 5.931 -4.895 1.177 1.00 0.00 C ATOM 702 O LYS A 46 6.995 -4.359 1.413 1.00 0.00 O ATOM 703 CB LYS A 46 4.582 -6.356 2.707 1.00 0.00 C ATOM 704 CG LYS A 46 5.494 -6.650 3.898 1.00 0.00 C ATOM 705 CD LYS A 46 5.330 -8.112 4.313 1.00 0.00 C ATOM 706 CE LYS A 46 6.433 -8.950 3.665 1.00 0.00 C ATOM 707 NZ LYS A 46 6.136 -10.353 4.069 1.00 0.00 N ATOM 0 H LYS A 46 2.883 -5.254 1.389 1.00 0.00 H new ATOM 0 HA LYS A 46 5.128 -4.275 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.538 -6.484 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.779 -7.063 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.532 -6.450 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.245 -5.993 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.380 -8.201 5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.351 -8.481 4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.426 -8.841 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.419 -8.640 4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.870 -10.986 3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.122 -10.420 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.208 -10.634 3.692 1.00 0.00 H new ATOM 721 N VAL A 47 5.691 -5.446 0.013 1.00 0.00 N ATOM 722 CA VAL A 47 6.740 -5.420 -1.046 1.00 0.00 C ATOM 723 C VAL A 47 7.179 -3.969 -1.270 1.00 0.00 C ATOM 724 O VAL A 47 8.349 -3.655 -1.196 1.00 0.00 O ATOM 725 CB VAL A 47 6.057 -5.996 -2.283 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.800 -5.568 -3.549 1.00 0.00 C ATOM 727 CG2 VAL A 47 6.044 -7.523 -2.197 1.00 0.00 C ATOM 0 H VAL A 47 4.820 -5.909 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 47 7.633 -5.990 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 47 5.035 -5.619 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.301 -5.987 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.803 -4.480 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.827 -5.932 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.556 -7.933 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.068 -7.893 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.499 -7.833 -1.305 1.00 0.00 H new ATOM 737 N GLU A 48 6.244 -3.077 -1.512 1.00 0.00 N ATOM 738 CA GLU A 48 6.622 -1.643 -1.700 1.00 0.00 C ATOM 739 C GLU A 48 7.458 -1.201 -0.500 1.00 0.00 C ATOM 740 O GLU A 48 8.374 -0.406 -0.613 1.00 0.00 O ATOM 741 CB GLU A 48 5.302 -0.869 -1.762 1.00 0.00 C ATOM 742 CG GLU A 48 5.086 -0.352 -3.188 1.00 0.00 C ATOM 743 CD GLU A 48 3.743 0.373 -3.275 1.00 0.00 C ATOM 744 OE1 GLU A 48 3.712 1.556 -2.980 1.00 0.00 O ATOM 745 OE2 GLU A 48 2.769 -0.266 -3.636 1.00 0.00 O ATOM 0 H GLU A 48 5.247 -3.280 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 48 7.210 -1.473 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.474 -1.514 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.322 -0.036 -1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.894 0.324 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.108 -1.183 -3.894 1.00 0.00 H new ATOM 752 N LEU A 49 7.162 -1.753 0.646 1.00 0.00 N ATOM 753 CA LEU A 49 7.940 -1.424 1.869 1.00 0.00 C ATOM 754 C LEU A 49 9.316 -2.075 1.759 1.00 0.00 C ATOM 755 O LEU A 49 10.337 -1.448 1.955 1.00 0.00 O ATOM 756 CB LEU A 49 7.139 -2.044 3.017 1.00 0.00 C ATOM 757 CG LEU A 49 7.170 -1.126 4.240 1.00 0.00 C ATOM 758 CD1 LEU A 49 5.927 -0.235 4.241 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.183 -1.980 5.510 1.00 0.00 C ATOM 0 H LEU A 49 6.407 -2.424 0.785 1.00 0.00 H new ATOM 0 HA LEU A 49 8.087 -0.354 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.108 -2.209 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.554 -3.019 3.274 1.00 0.00 H new ATOM 0 HG LEU A 49 8.063 -0.502 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.949 0.419 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.912 0.369 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.033 -0.858 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.205 -1.330 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.287 -2.600 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.066 -2.619 5.510 1.00 0.00 H new ATOM 771 N THR A 50 9.338 -3.336 1.420 1.00 0.00 N ATOM 772 CA THR A 50 10.631 -4.057 1.263 1.00 0.00 C ATOM 773 C THR A 50 11.483 -3.364 0.190 1.00 0.00 C ATOM 774 O THR A 50 12.689 -3.517 0.148 1.00 0.00 O ATOM 775 CB THR A 50 10.233 -5.469 0.818 1.00 0.00 C ATOM 776 OG1 THR A 50 9.484 -6.091 1.852 1.00 0.00 O ATOM 777 CG2 THR A 50 11.489 -6.295 0.532 1.00 0.00 C ATOM 0 H THR A 50 8.507 -3.901 1.244 1.00 0.00 H new ATOM 0 HA THR A 50 11.224 -4.072 2.177 1.00 0.00 H new ATOM 0 HB THR A 50 9.630 -5.407 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.559 -5.770 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.201 -7.298 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.066 -5.817 -0.259 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.096 -6.359 1.435 1.00 0.00 H new ATOM 785 N ARG A 51 10.862 -2.604 -0.674 1.00 0.00 N ATOM 786 CA ARG A 51 11.627 -1.898 -1.742 1.00 0.00 C ATOM 787 C ARG A 51 12.409 -0.727 -1.140 1.00 0.00 C ATOM 788 O ARG A 51 13.620 -0.669 -1.223 1.00 0.00 O ATOM 789 CB ARG A 51 10.573 -1.384 -2.722 1.00 0.00 C ATOM 790 CG ARG A 51 9.749 -2.558 -3.253 1.00 0.00 C ATOM 791 CD ARG A 51 9.849 -2.614 -4.780 1.00 0.00 C ATOM 792 NE ARG A 51 8.547 -3.179 -5.230 1.00 0.00 N ATOM 793 CZ ARG A 51 8.458 -3.771 -6.389 1.00 0.00 C ATOM 794 NH1 ARG A 51 9.345 -4.663 -6.736 1.00 0.00 N ATOM 795 NH2 ARG A 51 7.481 -3.471 -7.200 1.00 0.00 N ATOM 0 H ARG A 51 9.855 -2.442 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 51 12.349 -2.553 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.922 -0.664 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.055 -0.862 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.110 -3.492 -2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.707 -2.449 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.016 -1.623 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.682 -3.240 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 51 7.724 -3.103 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.108 -4.897 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.275 -5.126 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.788 -2.774 -6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.410 -3.933 -8.106 1.00 0.00 H new ATOM 809 N TYR A 52 11.723 0.206 -0.530 1.00 0.00 N ATOM 810 CA TYR A 52 12.428 1.373 0.082 1.00 0.00 C ATOM 811 C TYR A 52 13.416 0.893 1.148 1.00 0.00 C ATOM 812 O TYR A 52 14.383 1.560 1.458 1.00 0.00 O ATOM 813 CB TYR A 52 11.325 2.225 0.718 1.00 0.00 C ATOM 814 CG TYR A 52 11.829 3.636 0.914 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.396 4.331 -0.162 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.734 4.251 2.170 1.00 0.00 C ATOM 817 CE1 TYR A 52 12.866 5.638 0.017 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.204 5.557 2.348 1.00 0.00 C ATOM 819 CZ TYR A 52 12.770 6.251 1.271 1.00 0.00 C ATOM 820 OH TYR A 52 13.232 7.539 1.447 1.00 0.00 O ATOM 0 H TYR A 52 10.708 0.210 -0.429 1.00 0.00 H new ATOM 0 HA TYR A 52 13.001 1.937 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.440 2.228 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.027 1.798 1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.471 3.859 -1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.298 3.717 3.001 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.303 6.173 -0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.130 6.030 3.316 1.00 0.00 H new ATOM 0 HH TYR A 52 13.088 7.814 2.377 1.00 0.00 H new ATOM 830 N LEU A 53 13.178 -0.262 1.711 1.00 0.00 N ATOM 831 CA LEU A 53 14.099 -0.792 2.757 1.00 0.00 C ATOM 832 C LEU A 53 15.254 -1.560 2.109 1.00 0.00 C ATOM 833 O LEU A 53 16.298 -1.745 2.704 1.00 0.00 O ATOM 834 CB LEU A 53 13.239 -1.733 3.599 1.00 0.00 C ATOM 835 CG LEU A 53 12.105 -0.943 4.253 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.082 -1.914 4.842 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.676 -0.065 5.369 1.00 0.00 C ATOM 0 H LEU A 53 12.383 -0.862 1.490 1.00 0.00 H new ATOM 0 HA LEU A 53 14.544 0.003 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.830 -2.526 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.849 -2.214 4.364 1.00 0.00 H new ATOM 0 HG LEU A 53 11.621 -0.314 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.273 -1.352 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.677 -2.541 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.565 -2.542 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.869 0.499 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.159 -0.695 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.407 0.627 4.950 1.00 0.00 H new ATOM 849 N GLY A 54 15.075 -2.013 0.895 1.00 0.00 N ATOM 850 CA GLY A 54 16.160 -2.771 0.214 1.00 0.00 C ATOM 851 C GLY A 54 15.739 -4.236 0.065 1.00 0.00 C ATOM 852 O GLY A 54 14.906 -4.717 0.806 1.00 0.00 O ATOM 0 H GLY A 54 14.223 -1.889 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.362 -2.338 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.083 -2.703 0.790 1.00 0.00 H new ATOM 856 N PRO A 55 16.332 -4.900 -0.891 1.00 0.00 N ATOM 857 CA PRO A 55 16.013 -6.328 -1.136 1.00 0.00 C ATOM 858 C PRO A 55 16.567 -7.201 -0.005 1.00 0.00 C ATOM 859 O PRO A 55 16.173 -8.340 0.160 1.00 0.00 O ATOM 860 CB PRO A 55 16.713 -6.631 -2.458 1.00 0.00 C ATOM 861 CG PRO A 55 17.819 -5.630 -2.546 1.00 0.00 C ATOM 862 CD PRO A 55 17.346 -4.394 -1.824 1.00 0.00 C ATOM 0 HA PRO A 55 14.942 -6.529 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 55 17.100 -7.650 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 55 16.026 -6.536 -3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.730 -6.019 -2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.054 -5.404 -3.586 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.163 -3.901 -1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.925 -3.664 -2.515 1.00 0.00 H new ATOM 870 N ALA A 56 17.472 -6.676 0.778 1.00 0.00 N ATOM 871 CA ALA A 56 18.045 -7.475 1.900 1.00 0.00 C ATOM 872 C ALA A 56 17.307 -7.163 3.206 1.00 0.00 C ATOM 873 O ALA A 56 17.767 -7.492 4.282 1.00 0.00 O ATOM 874 CB ALA A 56 19.506 -7.034 1.993 1.00 0.00 C ATOM 0 H ALA A 56 17.839 -5.728 0.689 1.00 0.00 H new ATOM 0 HA ALA A 56 17.951 -8.548 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 56 20.000 -7.578 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 56 20.010 -7.245 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.551 -5.964 2.197 1.00 0.00 H new ATOM 880 N CYS A 57 16.164 -6.532 3.120 1.00 0.00 N ATOM 881 CA CYS A 57 15.397 -6.203 4.356 1.00 0.00 C ATOM 882 C CYS A 57 13.997 -6.818 4.284 1.00 0.00 C ATOM 883 O CYS A 57 13.001 -6.121 4.261 1.00 0.00 O ATOM 884 CB CYS A 57 15.316 -4.676 4.379 1.00 0.00 C ATOM 885 SG CYS A 57 16.757 -4.008 5.246 1.00 0.00 S ATOM 0 H CYS A 57 15.730 -6.231 2.247 1.00 0.00 H new ATOM 0 HA CYS A 57 15.871 -6.596 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.279 -4.288 3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.400 -4.357 4.876 1.00 0.00 H new ATOM 0 HG CYS A 57 16.690 -2.710 5.264 1.00 0.00 H new ATOM 891 N ASP A 58 13.918 -8.123 4.246 1.00 0.00 N ATOM 892 CA ASP A 58 12.583 -8.797 4.173 1.00 0.00 C ATOM 893 C ASP A 58 11.653 -8.274 5.264 1.00 0.00 C ATOM 894 O ASP A 58 12.053 -7.509 6.120 1.00 0.00 O ATOM 895 CB ASP A 58 12.851 -10.287 4.405 1.00 0.00 C ATOM 896 CG ASP A 58 13.804 -10.475 5.589 1.00 0.00 C ATOM 897 OD1 ASP A 58 14.994 -10.280 5.403 1.00 0.00 O ATOM 898 OD2 ASP A 58 13.328 -10.810 6.661 1.00 0.00 O ATOM 0 H ASP A 58 14.720 -8.753 4.262 1.00 0.00 H new ATOM 0 HA ASP A 58 12.103 -8.608 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.913 -10.807 4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.282 -10.730 3.508 1.00 0.00 H new ATOM 903 N LEU A 59 10.418 -8.693 5.246 1.00 0.00 N ATOM 904 CA LEU A 59 9.456 -8.239 6.287 1.00 0.00 C ATOM 905 C LEU A 59 8.384 -9.310 6.500 1.00 0.00 C ATOM 906 O LEU A 59 7.215 -9.092 6.257 1.00 0.00 O ATOM 907 CB LEU A 59 8.829 -6.953 5.736 1.00 0.00 C ATOM 908 CG LEU A 59 9.826 -5.791 5.831 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.159 -4.509 5.336 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.262 -5.596 7.287 1.00 0.00 C ATOM 0 H LEU A 59 10.033 -9.333 4.552 1.00 0.00 H new ATOM 0 HA LEU A 59 9.940 -8.065 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.531 -7.101 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.925 -6.712 6.296 1.00 0.00 H new ATOM 0 HG LEU A 59 10.698 -6.018 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.866 -3.682 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.848 -4.638 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.287 -4.291 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.970 -4.769 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.390 -5.372 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.737 -6.508 7.650 1.00 0.00 H new ATOM 922 N THR A 60 8.780 -10.471 6.945 1.00 0.00 N ATOM 923 CA THR A 60 7.792 -11.569 7.165 1.00 0.00 C ATOM 924 C THR A 60 6.994 -11.347 8.457 1.00 0.00 C ATOM 925 O THR A 60 6.138 -12.137 8.804 1.00 0.00 O ATOM 926 CB THR A 60 8.635 -12.840 7.270 1.00 0.00 C ATOM 927 OG1 THR A 60 9.714 -12.772 6.347 1.00 0.00 O ATOM 928 CG2 THR A 60 7.765 -14.054 6.948 1.00 0.00 C ATOM 0 H THR A 60 9.747 -10.709 7.167 1.00 0.00 H new ATOM 0 HA THR A 60 7.060 -11.620 6.359 1.00 0.00 H new ATOM 0 HB THR A 60 9.029 -12.932 8.282 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.255 -13.586 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.365 -14.961 7.022 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.938 -14.107 7.656 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.371 -13.961 5.936 1.00 0.00 H new ATOM 936 N LEU A 61 7.260 -10.284 9.172 1.00 0.00 N ATOM 937 CA LEU A 61 6.507 -10.033 10.436 1.00 0.00 C ATOM 938 C LEU A 61 5.493 -8.900 10.241 1.00 0.00 C ATOM 939 O LEU A 61 4.487 -8.837 10.918 1.00 0.00 O ATOM 940 CB LEU A 61 7.569 -9.641 11.462 1.00 0.00 C ATOM 941 CG LEU A 61 8.169 -10.906 12.079 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.583 -10.609 12.581 1.00 0.00 C ATOM 943 CD2 LEU A 61 7.299 -11.363 13.252 1.00 0.00 C ATOM 0 H LEU A 61 7.962 -9.583 8.936 1.00 0.00 H new ATOM 0 HA LEU A 61 5.939 -10.907 10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.351 -9.049 10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.127 -9.018 12.240 1.00 0.00 H new ATOM 0 HG LEU A 61 8.208 -11.693 11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.010 -11.511 13.020 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.204 -10.283 11.747 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.544 -9.822 13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.726 -12.264 13.692 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.260 -10.575 14.004 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.291 -11.575 12.896 1.00 0.00 H new ATOM 955 N PHE A 62 5.745 -8.007 9.316 1.00 0.00 N ATOM 956 CA PHE A 62 4.782 -6.887 9.083 1.00 0.00 C ATOM 957 C PHE A 62 3.417 -7.460 8.692 1.00 0.00 C ATOM 958 O PHE A 62 3.298 -8.216 7.747 1.00 0.00 O ATOM 959 CB PHE A 62 5.382 -6.073 7.934 1.00 0.00 C ATOM 960 CG PHE A 62 4.644 -4.759 7.800 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.715 -3.799 8.820 1.00 0.00 C ATOM 962 CD2 PHE A 62 3.890 -4.499 6.649 1.00 0.00 C ATOM 963 CE1 PHE A 62 4.032 -2.584 8.685 1.00 0.00 C ATOM 964 CE2 PHE A 62 3.208 -3.284 6.516 1.00 0.00 C ATOM 965 CZ PHE A 62 3.279 -2.327 7.534 1.00 0.00 C ATOM 0 H PHE A 62 6.570 -8.005 8.716 1.00 0.00 H new ATOM 0 HA PHE A 62 4.631 -6.271 9.969 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.440 -5.889 8.119 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.314 -6.636 7.003 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.296 -3.997 9.709 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.835 -5.237 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.087 -1.844 9.470 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.627 -3.085 5.628 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.752 -1.390 7.431 1.00 0.00 H new ATOM 975 N ASP A 63 2.391 -7.125 9.428 1.00 0.00 N ATOM 976 CA ASP A 63 1.036 -7.671 9.118 1.00 0.00 C ATOM 977 C ASP A 63 0.316 -6.832 8.053 1.00 0.00 C ATOM 978 O ASP A 63 -0.847 -7.049 7.781 1.00 0.00 O ATOM 979 CB ASP A 63 0.282 -7.607 10.446 1.00 0.00 C ATOM 980 CG ASP A 63 0.577 -8.866 11.263 1.00 0.00 C ATOM 981 OD1 ASP A 63 0.340 -9.949 10.752 1.00 0.00 O ATOM 982 OD2 ASP A 63 1.036 -8.727 12.384 1.00 0.00 O ATOM 0 H ASP A 63 2.432 -6.497 10.231 1.00 0.00 H new ATOM 0 HA ASP A 63 1.094 -8.681 8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.582 -6.720 11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.789 -7.522 10.264 1.00 0.00 H new ATOM 987 N PHE A 64 0.992 -5.886 7.447 1.00 0.00 N ATOM 988 CA PHE A 64 0.341 -5.038 6.395 1.00 0.00 C ATOM 989 C PHE A 64 -0.902 -4.329 6.959 1.00 0.00 C ATOM 990 O PHE A 64 -0.871 -3.149 7.248 1.00 0.00 O ATOM 991 CB PHE A 64 -0.033 -6.011 5.262 1.00 0.00 C ATOM 992 CG PHE A 64 -0.900 -5.316 4.231 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.315 -4.566 3.197 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.295 -5.423 4.310 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.128 -3.931 2.249 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.104 -4.787 3.361 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.520 -4.041 2.332 1.00 0.00 C ATOM 0 H PHE A 64 1.969 -5.663 7.635 1.00 0.00 H new ATOM 0 HA PHE A 64 1.003 -4.248 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.872 -6.392 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.564 -6.870 5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.760 -4.479 3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.747 -5.998 5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.679 -3.356 1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.179 -4.872 3.423 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.144 -3.549 1.601 1.00 0.00 H new ATOM 1007 N LYS A 65 -1.993 -5.032 7.107 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.234 -4.392 7.640 1.00 0.00 C ATOM 1009 C LYS A 65 -2.977 -3.766 9.016 1.00 0.00 C ATOM 1010 O LYS A 65 -3.248 -2.602 9.238 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.252 -5.528 7.751 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.639 -4.947 8.038 1.00 0.00 C ATOM 1013 CD LYS A 65 -6.216 -4.341 6.756 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.699 -5.461 5.829 1.00 0.00 C ATOM 1015 NZ LYS A 65 -8.183 -5.460 5.964 1.00 0.00 N ATOM 0 H LYS A 65 -2.080 -6.023 6.882 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.584 -3.588 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.272 -6.104 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.962 -6.214 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.301 -5.727 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.572 -4.185 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.043 -3.674 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.458 -3.740 6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.396 -5.278 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.277 -6.423 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.559 -6.382 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.441 -5.286 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.586 -4.711 5.365 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.463 -4.530 9.943 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.199 -3.979 11.306 1.00 0.00 C ATOM 1031 C GLN A 66 -1.148 -2.865 11.241 1.00 0.00 C ATOM 1032 O GLN A 66 -1.185 -1.920 12.005 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.676 -5.162 12.121 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.756 -6.244 12.202 1.00 0.00 C ATOM 1035 CD GLN A 66 -3.793 -5.855 13.258 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -4.975 -5.824 12.982 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -3.396 -5.557 14.465 1.00 0.00 N ATOM 0 H GLN A 66 -2.214 -5.511 9.816 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.094 -3.542 11.749 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.775 -5.566 11.659 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.400 -4.833 13.123 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.238 -6.365 11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.306 -7.204 12.456 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.403 -5.583 14.696 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.079 -5.298 15.177 1.00 0.00 H new ATOM 1046 N GLY A 67 -0.211 -2.969 10.336 1.00 0.00 N ATOM 1047 CA GLY A 67 0.841 -1.918 10.225 1.00 0.00 C ATOM 1048 C GLY A 67 1.765 -1.985 11.443 1.00 0.00 C ATOM 1049 O GLY A 67 2.093 -0.979 12.041 1.00 0.00 O ATOM 0 H GLY A 67 -0.129 -3.737 9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.417 -2.061 9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.379 -0.933 10.160 1.00 0.00 H new ATOM 1053 N ILE A 68 2.184 -3.166 11.816 1.00 0.00 N ATOM 1054 CA ILE A 68 3.088 -3.300 12.999 1.00 0.00 C ATOM 1055 C ILE A 68 3.953 -4.555 12.871 1.00 0.00 C ATOM 1056 O ILE A 68 3.613 -5.489 12.173 1.00 0.00 O ATOM 1057 CB ILE A 68 2.171 -3.416 14.222 1.00 0.00 C ATOM 1058 CG1 ILE A 68 0.854 -4.102 13.834 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.878 -2.018 14.769 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.155 -4.627 15.090 1.00 0.00 C ATOM 0 H ILE A 68 1.941 -4.042 11.354 1.00 0.00 H new ATOM 0 HA ILE A 68 3.762 -2.447 13.081 1.00 0.00 H new ATOM 0 HB ILE A 68 2.668 -4.014 14.986 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.206 -3.397 13.313 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.050 -4.924 13.145 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.226 -2.097 15.639 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.812 -1.537 15.058 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.386 -1.422 14.000 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.779 -5.113 14.810 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.802 -5.346 15.593 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.056 -3.796 15.763 1.00 0.00 H new ATOM 1072 N LEU A 69 5.069 -4.581 13.549 1.00 0.00 N ATOM 1073 CA LEU A 69 5.959 -5.774 13.481 1.00 0.00 C ATOM 1074 C LEU A 69 5.838 -6.579 14.777 1.00 0.00 C ATOM 1075 O LEU A 69 6.592 -6.386 15.710 1.00 0.00 O ATOM 1076 CB LEU A 69 7.376 -5.211 13.330 1.00 0.00 C ATOM 1077 CG LEU A 69 7.762 -5.164 11.848 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.159 -4.552 11.700 1.00 0.00 C ATOM 1079 CD2 LEU A 69 7.773 -6.582 11.275 1.00 0.00 C ATOM 0 H LEU A 69 5.403 -3.826 14.148 1.00 0.00 H new ATOM 0 HA LEU A 69 5.701 -6.440 12.658 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.427 -4.211 13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.084 -5.831 13.880 1.00 0.00 H new ATOM 0 HG LEU A 69 7.036 -4.556 11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.432 -4.519 10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.158 -3.540 12.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.882 -5.160 12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.048 -6.546 10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.498 -7.188 11.819 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.782 -7.023 11.377 1.00 0.00 H new