USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 CYS SG : rot 165:sc= -12.3! USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.078 (180deg=-0.585) USER MOD Single : A 33 THR OG1 : rot -110:sc= -0.249 USER MOD Single : A 34 TYR OH : rot 151:sc= -3.07! USER MOD Single : A 35 TYR OH : rot -129:sc= 0.776 USER MOD Single : A 36 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.4) USER MOD Single : A 37 SER OG : rot -75:sc= -3.87! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 116:sc= 0.261 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= 0.181 (180deg=0.0722) USER MOD Single : A 50 THR OG1 : rot 64:sc= -8.12! USER MOD Single : A 52 TYR OH : rot 15:sc= -0.749 USER MOD Single : A 57 CYS SG : rot -140:sc= -0.134 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00504 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 70 CYS SG : rot -12:sc= -0.487! USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 51.004 1.599 7.196 1.00 0.00 N ATOM 56 CA TRP A 5 52.400 1.754 7.694 1.00 0.00 C ATOM 57 C TRP A 5 52.804 0.500 8.473 1.00 0.00 C ATOM 58 O TRP A 5 52.486 0.351 9.637 1.00 0.00 O ATOM 59 CB TRP A 5 52.481 2.973 8.615 1.00 0.00 C ATOM 60 CG TRP A 5 52.228 4.216 7.824 1.00 0.00 C ATOM 61 CD1 TRP A 5 51.104 4.965 7.892 1.00 0.00 C ATOM 62 CD2 TRP A 5 53.095 4.866 6.850 1.00 0.00 C ATOM 63 NE1 TRP A 5 51.226 6.035 7.024 1.00 0.00 N ATOM 64 CE2 TRP A 5 52.436 6.018 6.359 1.00 0.00 C ATOM 65 CE3 TRP A 5 54.377 4.573 6.351 1.00 0.00 C ATOM 66 CZ2 TRP A 5 53.026 6.848 5.406 1.00 0.00 C ATOM 67 CZ3 TRP A 5 54.975 5.407 5.392 1.00 0.00 C ATOM 68 CH2 TRP A 5 54.300 6.542 4.921 1.00 0.00 C ATOM 0 HA TRP A 5 53.074 1.892 6.849 1.00 0.00 H new ATOM 0 HB2 TRP A 5 51.748 2.885 9.417 1.00 0.00 H new ATOM 0 HB3 TRP A 5 53.463 3.022 9.085 1.00 0.00 H new ATOM 0 HD1 TRP A 5 50.250 4.761 8.521 1.00 0.00 H new ATOM 0 HE1 TRP A 5 50.510 6.749 6.891 1.00 0.00 H new ATOM 0 HE3 TRP A 5 54.905 3.701 6.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 52.502 7.721 5.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 55.960 5.173 5.016 1.00 0.00 H new ATOM 0 HH2 TRP A 5 54.765 7.180 4.183 1.00 0.00 H new ATOM 79 N LEU A 6 53.504 -0.403 7.842 1.00 0.00 N ATOM 80 CA LEU A 6 53.926 -1.645 8.550 1.00 0.00 C ATOM 81 C LEU A 6 55.443 -1.632 8.747 1.00 0.00 C ATOM 82 O LEU A 6 56.154 -0.868 8.123 1.00 0.00 O ATOM 83 CB LEU A 6 53.530 -2.866 7.719 1.00 0.00 C ATOM 84 CG LEU A 6 52.005 -2.956 7.640 1.00 0.00 C ATOM 85 CD1 LEU A 6 51.605 -4.182 6.818 1.00 0.00 C ATOM 86 CD2 LEU A 6 51.432 -3.083 9.053 1.00 0.00 C ATOM 0 H LEU A 6 53.801 -0.335 6.869 1.00 0.00 H new ATOM 0 HA LEU A 6 53.435 -1.692 9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 6 53.953 -2.790 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 6 53.936 -3.772 8.169 1.00 0.00 H new ATOM 0 HG LEU A 6 51.612 -2.058 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 6 50.518 -4.244 6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 6 52.015 -4.095 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 6 51.996 -5.082 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 6 50.345 -3.147 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 6 51.826 -3.982 9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 6 51.716 -2.210 9.641 1.00 0.00 H new ATOM 98 N ASP A 7 55.945 -2.472 9.610 1.00 0.00 N ATOM 99 CA ASP A 7 57.416 -2.511 9.849 1.00 0.00 C ATOM 100 C ASP A 7 58.139 -2.852 8.543 1.00 0.00 C ATOM 101 O ASP A 7 57.649 -3.613 7.733 1.00 0.00 O ATOM 102 CB ASP A 7 57.730 -3.577 10.901 1.00 0.00 C ATOM 103 CG ASP A 7 56.662 -3.543 11.996 1.00 0.00 C ATOM 104 OD1 ASP A 7 55.503 -3.743 11.671 1.00 0.00 O ATOM 105 OD2 ASP A 7 57.021 -3.318 13.140 1.00 0.00 O ATOM 0 H ASP A 7 55.399 -3.134 10.161 1.00 0.00 H new ATOM 0 HA ASP A 7 57.753 -1.537 10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 7 57.760 -4.563 10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 7 58.715 -3.398 11.333 1.00 0.00 H new ATOM 110 N CYS A 8 59.300 -2.292 8.331 1.00 0.00 N ATOM 111 CA CYS A 8 60.050 -2.582 7.075 1.00 0.00 C ATOM 112 C CYS A 8 60.990 -3.776 7.292 1.00 0.00 C ATOM 113 O CYS A 8 61.931 -3.684 8.056 1.00 0.00 O ATOM 114 CB CYS A 8 60.882 -1.359 6.691 1.00 0.00 C ATOM 115 SG CYS A 8 59.858 -0.206 5.747 1.00 0.00 S ATOM 0 H CYS A 8 59.761 -1.647 8.973 1.00 0.00 H new ATOM 0 HA CYS A 8 59.341 -2.817 6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 8 61.266 -0.871 7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 8 61.745 -1.664 6.099 1.00 0.00 H new ATOM 0 HG CYS A 8 60.449 0.950 5.687 1.00 0.00 H new ATOM 121 N PRO A 9 60.713 -4.861 6.612 1.00 0.00 N ATOM 122 CA PRO A 9 61.528 -6.084 6.713 1.00 0.00 C ATOM 123 C PRO A 9 62.802 -5.948 5.873 1.00 0.00 C ATOM 124 O PRO A 9 63.811 -6.562 6.158 1.00 0.00 O ATOM 125 CB PRO A 9 60.616 -7.172 6.140 1.00 0.00 C ATOM 126 CG PRO A 9 59.590 -6.449 5.236 1.00 0.00 C ATOM 127 CD PRO A 9 59.567 -4.976 5.687 1.00 0.00 C ATOM 0 HA PRO A 9 61.854 -6.298 7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 9 61.192 -7.900 5.569 1.00 0.00 H new ATOM 0 HB3 PRO A 9 60.114 -7.718 6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 9 59.874 -6.529 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 9 58.602 -6.900 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 9 59.670 -4.299 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 9 58.629 -4.726 6.183 1.00 0.00 H new ATOM 135 N ALA A 10 62.765 -5.155 4.836 1.00 0.00 N ATOM 136 CA ALA A 10 63.975 -4.995 3.983 1.00 0.00 C ATOM 137 C ALA A 10 65.045 -4.207 4.742 1.00 0.00 C ATOM 138 O ALA A 10 66.224 -4.480 4.629 1.00 0.00 O ATOM 139 CB ALA A 10 63.609 -4.252 2.699 1.00 0.00 C ATOM 0 H ALA A 10 61.951 -4.613 4.544 1.00 0.00 H new ATOM 0 HA ALA A 10 64.364 -5.981 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 10 64.498 -4.138 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 10 62.856 -4.819 2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 10 63.212 -3.268 2.949 1.00 0.00 H new ATOM 145 N LEU A 11 64.649 -3.229 5.512 1.00 0.00 N ATOM 146 CA LEU A 11 65.653 -2.430 6.271 1.00 0.00 C ATOM 147 C LEU A 11 65.619 -2.830 7.746 1.00 0.00 C ATOM 148 O LEU A 11 66.643 -3.047 8.363 1.00 0.00 O ATOM 149 CB LEU A 11 65.331 -0.938 6.141 1.00 0.00 C ATOM 150 CG LEU A 11 64.982 -0.603 4.688 1.00 0.00 C ATOM 151 CD1 LEU A 11 65.086 0.908 4.475 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.957 -1.313 3.746 1.00 0.00 C ATOM 0 H LEU A 11 63.677 -2.950 5.648 1.00 0.00 H new ATOM 0 HA LEU A 11 66.646 -2.623 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.497 -0.679 6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 11 66.185 -0.343 6.465 1.00 0.00 H new ATOM 0 HG LEU A 11 63.966 -0.935 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.838 1.148 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 11 64.392 1.418 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.103 1.237 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.705 -1.072 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.974 -0.983 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 11 65.887 -2.391 3.895 1.00 0.00 H new ATOM 164 N GLY A 12 64.452 -2.929 8.318 1.00 0.00 N ATOM 165 CA GLY A 12 64.361 -3.314 9.752 1.00 0.00 C ATOM 166 C GLY A 12 63.358 -2.402 10.468 1.00 0.00 C ATOM 167 O GLY A 12 62.376 -1.988 9.886 1.00 0.00 O ATOM 0 H GLY A 12 63.559 -2.760 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 12 64.049 -4.355 9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 12 65.341 -3.234 10.223 1.00 0.00 H new ATOM 171 N PRO A 13 63.639 -2.119 11.716 1.00 0.00 N ATOM 172 CA PRO A 13 62.779 -1.259 12.549 1.00 0.00 C ATOM 173 C PRO A 13 63.010 0.217 12.209 1.00 0.00 C ATOM 174 O PRO A 13 63.981 0.573 11.572 1.00 0.00 O ATOM 175 CB PRO A 13 63.239 -1.568 13.977 1.00 0.00 C ATOM 176 CG PRO A 13 64.676 -2.130 13.860 1.00 0.00 C ATOM 177 CD PRO A 13 64.837 -2.631 12.412 1.00 0.00 C ATOM 0 HA PRO A 13 61.715 -1.442 12.400 1.00 0.00 H new ATOM 0 HB2 PRO A 13 63.222 -0.669 14.594 1.00 0.00 H new ATOM 0 HB3 PRO A 13 62.576 -2.292 14.451 1.00 0.00 H new ATOM 0 HG2 PRO A 13 65.413 -1.360 14.087 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.834 -2.942 14.570 1.00 0.00 H new ATOM 0 HD2 PRO A 13 65.753 -2.252 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.887 -3.719 12.370 1.00 0.00 H new ATOM 185 N GLY A 14 62.122 1.077 12.629 1.00 0.00 N ATOM 186 CA GLY A 14 62.289 2.528 12.330 1.00 0.00 C ATOM 187 C GLY A 14 61.764 2.821 10.924 1.00 0.00 C ATOM 188 O GLY A 14 60.958 3.708 10.723 1.00 0.00 O ATOM 0 H GLY A 14 61.289 0.838 13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 14 61.749 3.126 13.064 1.00 0.00 H new ATOM 0 HA3 GLY A 14 63.340 2.807 12.403 1.00 0.00 H new ATOM 192 N TRP A 15 62.215 2.082 9.949 1.00 0.00 N ATOM 193 CA TRP A 15 61.745 2.313 8.555 1.00 0.00 C ATOM 194 C TRP A 15 60.328 1.750 8.397 1.00 0.00 C ATOM 195 O TRP A 15 60.073 0.595 8.684 1.00 0.00 O ATOM 196 CB TRP A 15 62.693 1.609 7.581 1.00 0.00 C ATOM 197 CG TRP A 15 62.724 2.351 6.284 1.00 0.00 C ATOM 198 CD1 TRP A 15 62.343 1.843 5.091 1.00 0.00 C ATOM 199 CD2 TRP A 15 63.157 3.718 6.025 1.00 0.00 C ATOM 200 NE1 TRP A 15 62.508 2.810 4.119 1.00 0.00 N ATOM 201 CE2 TRP A 15 63.005 3.983 4.645 1.00 0.00 C ATOM 202 CE3 TRP A 15 63.657 4.744 6.845 1.00 0.00 C ATOM 203 CZ2 TRP A 15 63.337 5.220 4.096 1.00 0.00 C ATOM 204 CZ3 TRP A 15 63.995 5.992 6.295 1.00 0.00 C ATOM 205 CH2 TRP A 15 63.834 6.229 4.924 1.00 0.00 C ATOM 0 H TRP A 15 62.891 1.326 10.058 1.00 0.00 H new ATOM 0 HA TRP A 15 61.734 3.382 8.341 1.00 0.00 H new ATOM 0 HB2 TRP A 15 63.695 1.559 8.006 1.00 0.00 H new ATOM 0 HB3 TRP A 15 62.365 0.583 7.416 1.00 0.00 H new ATOM 0 HD1 TRP A 15 61.970 0.843 4.925 1.00 0.00 H new ATOM 0 HE1 TRP A 15 62.289 2.673 3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 15 63.782 4.572 7.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 63.211 5.397 3.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 64.381 6.773 6.933 1.00 0.00 H new ATOM 0 HH2 TRP A 15 64.094 7.191 4.508 1.00 0.00 H new ATOM 216 N LYS A 16 59.403 2.556 7.946 1.00 0.00 N ATOM 217 CA LYS A 16 58.005 2.066 7.775 1.00 0.00 C ATOM 218 C LYS A 16 57.734 1.801 6.294 1.00 0.00 C ATOM 219 O LYS A 16 58.038 2.614 5.442 1.00 0.00 O ATOM 220 CB LYS A 16 57.025 3.121 8.293 1.00 0.00 C ATOM 221 CG LYS A 16 57.148 3.228 9.814 1.00 0.00 C ATOM 222 CD LYS A 16 55.992 2.473 10.475 1.00 0.00 C ATOM 223 CE LYS A 16 56.228 2.402 11.985 1.00 0.00 C ATOM 224 NZ LYS A 16 56.441 3.776 12.520 1.00 0.00 N ATOM 0 H LYS A 16 59.556 3.531 7.689 1.00 0.00 H new ATOM 0 HA LYS A 16 57.874 1.142 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.235 4.086 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 16 56.005 2.852 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 16 58.101 2.814 10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 16 57.133 4.275 10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 16 55.048 2.977 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 16 55.915 1.468 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 16 55.373 1.938 12.476 1.00 0.00 H new ATOM 0 HE3 LYS A 16 57.096 1.778 12.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 56.298 3.773 13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 57.410 4.086 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 55.763 4.430 12.078 1.00 0.00 H new ATOM 238 N ARG A 17 57.170 0.665 5.983 1.00 0.00 N ATOM 239 CA ARG A 17 56.884 0.335 4.558 1.00 0.00 C ATOM 240 C ARG A 17 55.411 0.625 4.254 1.00 0.00 C ATOM 241 O ARG A 17 54.523 -0.045 4.742 1.00 0.00 O ATOM 242 CB ARG A 17 57.176 -1.150 4.313 1.00 0.00 C ATOM 243 CG ARG A 17 57.847 -1.328 2.947 1.00 0.00 C ATOM 244 CD ARG A 17 59.230 -1.966 3.127 1.00 0.00 C ATOM 245 NE ARG A 17 60.279 -0.913 3.022 1.00 0.00 N ATOM 246 CZ ARG A 17 61.536 -1.228 3.170 1.00 0.00 C ATOM 247 NH1 ARG A 17 61.868 -2.241 3.922 1.00 0.00 N ATOM 248 NH2 ARG A 17 62.461 -0.529 2.570 1.00 0.00 N ATOM 0 H ARG A 17 56.895 -0.050 6.656 1.00 0.00 H new ATOM 0 HA ARG A 17 57.514 0.942 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 17 57.823 -1.537 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 17 56.250 -1.723 4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 17 57.227 -1.955 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 17 57.944 -0.363 2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 17 59.291 -2.460 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 17 59.391 -2.732 2.368 1.00 0.00 H new ATOM 0 HE ARG A 17 60.014 0.054 2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 17 61.145 -2.785 4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 17 62.850 -2.489 4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 17 62.201 0.265 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 17 63.444 -0.777 2.687 1.00 0.00 H new ATOM 262 N ARG A 18 55.144 1.619 3.450 1.00 0.00 N ATOM 263 CA ARG A 18 53.729 1.952 3.116 1.00 0.00 C ATOM 264 C ARG A 18 53.375 1.373 1.743 1.00 0.00 C ATOM 265 O ARG A 18 54.101 1.538 0.783 1.00 0.00 O ATOM 266 CB ARG A 18 53.556 3.472 3.090 1.00 0.00 C ATOM 267 CG ARG A 18 52.119 3.818 2.695 1.00 0.00 C ATOM 268 CD ARG A 18 51.936 5.336 2.711 1.00 0.00 C ATOM 269 NE ARG A 18 51.359 5.780 1.412 1.00 0.00 N ATOM 270 CZ ARG A 18 50.557 6.808 1.372 1.00 0.00 C ATOM 271 NH1 ARG A 18 50.657 7.749 2.271 1.00 0.00 N ATOM 272 NH2 ARG A 18 49.655 6.896 0.432 1.00 0.00 N ATOM 0 H ARG A 18 55.845 2.215 3.010 1.00 0.00 H new ATOM 0 HA ARG A 18 53.068 1.523 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.786 3.891 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.256 3.916 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 18 51.899 3.425 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.418 3.349 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.279 5.625 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.894 5.827 2.882 1.00 0.00 H new ATOM 0 HE ARG A 18 51.591 5.280 0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 18 51.362 7.680 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 18 50.030 8.553 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 18 49.578 6.161 -0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 18 49.028 7.700 0.401 1.00 0.00 H new ATOM 286 N GLU A 19 52.260 0.699 1.643 1.00 0.00 N ATOM 287 CA GLU A 19 51.856 0.112 0.333 1.00 0.00 C ATOM 288 C GLU A 19 50.610 0.836 -0.184 1.00 0.00 C ATOM 289 O GLU A 19 49.735 1.204 0.576 1.00 0.00 O ATOM 290 CB GLU A 19 51.546 -1.376 0.514 1.00 0.00 C ATOM 291 CG GLU A 19 50.336 -1.538 1.436 1.00 0.00 C ATOM 292 CD GLU A 19 50.090 -3.025 1.702 1.00 0.00 C ATOM 293 OE1 GLU A 19 51.050 -3.722 1.988 1.00 0.00 O ATOM 294 OE2 GLU A 19 48.947 -3.441 1.617 1.00 0.00 O ATOM 0 H GLU A 19 51.612 0.530 2.412 1.00 0.00 H new ATOM 0 HA GLU A 19 52.668 0.227 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 19 51.344 -1.836 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.410 -1.889 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 19 50.509 -1.014 2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 19 49.454 -1.089 0.978 1.00 0.00 H new ATOM 301 N VAL A 20 50.521 1.048 -1.470 1.00 0.00 N ATOM 302 CA VAL A 20 49.331 1.754 -2.026 1.00 0.00 C ATOM 303 C VAL A 20 48.909 1.099 -3.344 1.00 0.00 C ATOM 304 O VAL A 20 49.381 1.458 -4.404 1.00 0.00 O ATOM 305 CB VAL A 20 49.686 3.220 -2.276 1.00 0.00 C ATOM 306 CG1 VAL A 20 48.437 3.981 -2.725 1.00 0.00 C ATOM 307 CG2 VAL A 20 50.223 3.838 -0.984 1.00 0.00 C ATOM 0 H VAL A 20 51.219 0.764 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 20 48.507 1.691 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 20 50.446 3.283 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 20 48.692 5.026 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 20 48.053 3.540 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 20 47.675 3.921 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 20 50.477 4.883 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 20 49.462 3.775 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 20 51.114 3.297 -0.664 1.00 0.00 H new ATOM 478 N ASP A 32 52.170 1.108 -5.446 1.00 0.00 N ATOM 479 CA ASP A 32 53.115 2.195 -5.063 1.00 0.00 C ATOM 480 C ASP A 32 53.648 1.926 -3.655 1.00 0.00 C ATOM 481 O ASP A 32 52.893 1.781 -2.713 1.00 0.00 O ATOM 482 CB ASP A 32 52.384 3.539 -5.086 1.00 0.00 C ATOM 483 CG ASP A 32 52.635 4.233 -6.426 1.00 0.00 C ATOM 484 OD1 ASP A 32 53.688 4.007 -7.000 1.00 0.00 O ATOM 485 OD2 ASP A 32 51.770 4.978 -6.857 1.00 0.00 O ATOM 0 HA ASP A 32 53.945 2.224 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.315 3.386 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.732 4.169 -4.267 1.00 0.00 H new ATOM 490 N THR A 33 54.942 1.852 -3.502 1.00 0.00 N ATOM 491 CA THR A 33 55.515 1.585 -2.152 1.00 0.00 C ATOM 492 C THR A 33 56.337 2.789 -1.690 1.00 0.00 C ATOM 493 O THR A 33 57.406 3.058 -2.202 1.00 0.00 O ATOM 494 CB THR A 33 56.418 0.351 -2.218 1.00 0.00 C ATOM 495 OG1 THR A 33 56.261 -0.282 -3.481 1.00 0.00 O ATOM 496 CG2 THR A 33 56.035 -0.624 -1.103 1.00 0.00 C ATOM 0 H THR A 33 55.625 1.964 -4.251 1.00 0.00 H new ATOM 0 HA THR A 33 54.703 1.410 -1.446 1.00 0.00 H new ATOM 0 HB THR A 33 57.457 0.653 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 33 55.795 -1.136 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 33 56.679 -1.502 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 33 56.157 -0.137 -0.136 1.00 0.00 H new ATOM 0 HG23 THR A 33 54.996 -0.928 -1.227 1.00 0.00 H new ATOM 504 N TYR A 34 55.852 3.510 -0.717 1.00 0.00 N ATOM 505 CA TYR A 34 56.608 4.690 -0.212 1.00 0.00 C ATOM 506 C TYR A 34 57.083 4.404 1.213 1.00 0.00 C ATOM 507 O TYR A 34 56.358 3.854 2.018 1.00 0.00 O ATOM 508 CB TYR A 34 55.700 5.920 -0.209 1.00 0.00 C ATOM 509 CG TYR A 34 55.033 6.061 -1.556 1.00 0.00 C ATOM 510 CD1 TYR A 34 55.747 5.778 -2.726 1.00 0.00 C ATOM 511 CD2 TYR A 34 53.699 6.479 -1.634 1.00 0.00 C ATOM 512 CE1 TYR A 34 55.128 5.913 -3.974 1.00 0.00 C ATOM 513 CE2 TYR A 34 53.080 6.615 -2.882 1.00 0.00 C ATOM 514 CZ TYR A 34 53.794 6.332 -4.052 1.00 0.00 C ATOM 515 OH TYR A 34 53.184 6.468 -5.282 1.00 0.00 O ATOM 0 H TYR A 34 54.963 3.332 -0.249 1.00 0.00 H new ATOM 0 HA TYR A 34 57.466 4.879 -0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 34 54.947 5.826 0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 34 56.282 6.814 0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.776 5.455 -2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 34 53.148 6.696 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 34 55.679 5.694 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 34 52.051 6.938 -2.942 1.00 0.00 H new ATOM 0 HH TYR A 34 52.222 6.308 -5.189 1.00 0.00 H new ATOM 525 N TYR A 35 58.294 4.765 1.533 1.00 0.00 N ATOM 526 CA TYR A 35 58.803 4.500 2.908 1.00 0.00 C ATOM 527 C TYR A 35 58.902 5.812 3.686 1.00 0.00 C ATOM 528 O TYR A 35 59.108 6.867 3.122 1.00 0.00 O ATOM 529 CB TYR A 35 60.185 3.853 2.823 1.00 0.00 C ATOM 530 CG TYR A 35 60.153 2.729 1.816 1.00 0.00 C ATOM 531 CD1 TYR A 35 58.969 2.015 1.605 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.306 2.402 1.094 1.00 0.00 C ATOM 533 CE1 TYR A 35 58.937 0.972 0.672 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.276 1.359 0.161 1.00 0.00 C ATOM 535 CZ TYR A 35 60.091 0.644 -0.050 1.00 0.00 C ATOM 536 OH TYR A 35 60.061 -0.384 -0.970 1.00 0.00 O ATOM 0 H TYR A 35 58.951 5.230 0.906 1.00 0.00 H new ATOM 0 HA TYR A 35 58.116 3.829 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 35 60.929 4.595 2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 35 60.481 3.472 3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 35 58.079 2.268 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.220 2.955 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 35 58.023 0.421 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 35 62.166 1.106 -0.396 1.00 0.00 H new ATOM 0 HH TYR A 35 60.801 -1.002 -0.794 1.00 0.00 H new ATOM 546 N GLN A 36 58.760 5.751 4.982 1.00 0.00 N ATOM 547 CA GLN A 36 58.848 6.994 5.799 1.00 0.00 C ATOM 548 C GLN A 36 59.776 6.757 6.993 1.00 0.00 C ATOM 549 O GLN A 36 59.625 5.801 7.730 1.00 0.00 O ATOM 550 CB GLN A 36 57.454 7.376 6.303 1.00 0.00 C ATOM 551 CG GLN A 36 57.495 8.785 6.898 1.00 0.00 C ATOM 552 CD GLN A 36 56.822 8.780 8.271 1.00 0.00 C ATOM 553 OE1 GLN A 36 55.705 8.325 8.412 1.00 0.00 O ATOM 554 NE2 GLN A 36 57.461 9.271 9.298 1.00 0.00 N ATOM 0 H GLN A 36 58.587 4.895 5.510 1.00 0.00 H new ATOM 0 HA GLN A 36 59.245 7.803 5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 36 56.736 7.336 5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 36 57.119 6.662 7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 36 58.527 9.123 6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 36 56.987 9.486 6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 36 58.399 9.653 9.180 1.00 0.00 H new ATOM 0 HE22 GLN A 36 57.022 9.272 10.219 1.00 0.00 H new ATOM 563 N SER A 37 60.736 7.620 7.190 1.00 0.00 N ATOM 564 CA SER A 37 61.674 7.446 8.336 1.00 0.00 C ATOM 565 C SER A 37 60.945 7.760 9.646 1.00 0.00 C ATOM 566 O SER A 37 59.806 8.183 9.634 1.00 0.00 O ATOM 567 CB SER A 37 62.861 8.397 8.172 1.00 0.00 C ATOM 568 OG SER A 37 62.868 8.917 6.849 1.00 0.00 O ATOM 0 H SER A 37 60.911 8.438 6.607 1.00 0.00 H new ATOM 0 HA SER A 37 62.033 6.417 8.358 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.792 9.210 8.894 1.00 0.00 H new ATOM 0 HB3 SER A 37 63.794 7.870 8.373 1.00 0.00 H new ATOM 0 HG SER A 37 63.182 8.227 6.228 1.00 0.00 H new ATOM 574 N PRO A 38 61.629 7.540 10.741 1.00 0.00 N ATOM 575 CA PRO A 38 61.080 7.786 12.086 1.00 0.00 C ATOM 576 C PRO A 38 61.127 9.280 12.417 1.00 0.00 C ATOM 577 O PRO A 38 60.649 9.713 13.447 1.00 0.00 O ATOM 578 CB PRO A 38 62.015 6.994 13.004 1.00 0.00 C ATOM 579 CG PRO A 38 63.342 6.817 12.229 1.00 0.00 C ATOM 580 CD PRO A 38 63.013 7.024 10.738 1.00 0.00 C ATOM 0 HA PRO A 38 60.037 7.486 12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 38 62.181 7.525 13.941 1.00 0.00 H new ATOM 0 HB3 PRO A 38 61.582 6.027 13.258 1.00 0.00 H new ATOM 0 HG2 PRO A 38 64.086 7.539 12.565 1.00 0.00 H new ATOM 0 HG3 PRO A 38 63.761 5.825 12.399 1.00 0.00 H new ATOM 0 HD2 PRO A 38 63.700 7.730 10.273 1.00 0.00 H new ATOM 0 HD3 PRO A 38 63.089 6.091 10.180 1.00 0.00 H new ATOM 588 N THR A 39 61.700 10.071 11.552 1.00 0.00 N ATOM 589 CA THR A 39 61.777 11.534 11.819 1.00 0.00 C ATOM 590 C THR A 39 60.741 12.265 10.963 1.00 0.00 C ATOM 591 O THR A 39 60.381 13.393 11.237 1.00 0.00 O ATOM 592 CB THR A 39 63.179 12.041 11.471 1.00 0.00 C ATOM 593 OG1 THR A 39 63.194 13.460 11.524 1.00 0.00 O ATOM 594 CG2 THR A 39 63.558 11.577 10.065 1.00 0.00 C ATOM 0 H THR A 39 62.118 9.767 10.672 1.00 0.00 H new ATOM 0 HA THR A 39 61.573 11.723 12.873 1.00 0.00 H new ATOM 0 HB THR A 39 63.897 11.643 12.187 1.00 0.00 H new ATOM 0 HG1 THR A 39 64.091 13.786 11.303 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.556 11.939 9.819 1.00 0.00 H new ATOM 0 HG22 THR A 39 63.547 10.488 10.026 1.00 0.00 H new ATOM 0 HG23 THR A 39 62.841 11.973 9.346 1.00 0.00 H new ATOM 602 N GLY A 40 60.256 11.633 9.929 1.00 0.00 N ATOM 603 CA GLY A 40 59.242 12.295 9.060 1.00 0.00 C ATOM 604 C GLY A 40 59.773 12.384 7.628 1.00 0.00 C ATOM 605 O GLY A 40 59.225 13.079 6.796 1.00 0.00 O ATOM 0 H GLY A 40 60.518 10.688 9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 40 58.309 11.732 9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 40 59.019 13.293 9.439 1.00 0.00 H new ATOM 609 N ASP A 41 60.837 11.688 7.334 1.00 0.00 N ATOM 610 CA ASP A 41 61.401 11.737 5.955 1.00 0.00 C ATOM 611 C ASP A 41 60.645 10.756 5.057 1.00 0.00 C ATOM 612 O ASP A 41 60.506 9.591 5.372 1.00 0.00 O ATOM 613 CB ASP A 41 62.881 11.352 5.994 1.00 0.00 C ATOM 614 CG ASP A 41 63.730 12.546 5.555 1.00 0.00 C ATOM 615 OD1 ASP A 41 63.292 13.268 4.674 1.00 0.00 O ATOM 616 OD2 ASP A 41 64.804 12.719 6.107 1.00 0.00 O ATOM 0 H ASP A 41 61.340 11.088 7.988 1.00 0.00 H new ATOM 0 HA ASP A 41 61.297 12.747 5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 41 63.161 11.044 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 41 63.064 10.501 5.338 1.00 0.00 H new ATOM 621 N ARG A 42 60.159 11.217 3.937 1.00 0.00 N ATOM 622 CA ARG A 42 59.418 10.309 3.017 1.00 0.00 C ATOM 623 C ARG A 42 60.211 10.149 1.718 1.00 0.00 C ATOM 624 O ARG A 42 60.659 11.113 1.131 1.00 0.00 O ATOM 625 CB ARG A 42 58.043 10.907 2.710 1.00 0.00 C ATOM 626 CG ARG A 42 58.188 12.402 2.420 1.00 0.00 C ATOM 627 CD ARG A 42 57.772 13.203 3.655 1.00 0.00 C ATOM 628 NE ARG A 42 58.016 14.653 3.411 1.00 0.00 N ATOM 629 CZ ARG A 42 59.235 15.118 3.412 1.00 0.00 C ATOM 630 NH1 ARG A 42 59.819 15.416 4.540 1.00 0.00 N ATOM 631 NH2 ARG A 42 59.871 15.285 2.284 1.00 0.00 N ATOM 0 H ARG A 42 60.243 12.183 3.620 1.00 0.00 H new ATOM 0 HA ARG A 42 59.290 9.334 3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 42 57.598 10.401 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 42 57.371 10.753 3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 42 59.219 12.633 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 42 57.568 12.680 1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 42 56.718 13.032 3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 42 58.337 12.869 4.525 1.00 0.00 H new ATOM 0 HE ARG A 42 57.230 15.281 3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.323 15.285 5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 42 60.772 15.779 4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 42 59.415 15.052 1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.824 15.649 2.285 1.00 0.00 H new ATOM 645 N ILE A 43 60.393 8.937 1.267 1.00 0.00 N ATOM 646 CA ILE A 43 61.164 8.720 0.011 1.00 0.00 C ATOM 647 C ILE A 43 60.464 7.663 -0.845 1.00 0.00 C ATOM 648 O ILE A 43 59.650 6.900 -0.364 1.00 0.00 O ATOM 649 CB ILE A 43 62.573 8.242 0.359 1.00 0.00 C ATOM 650 CG1 ILE A 43 63.182 9.180 1.402 1.00 0.00 C ATOM 651 CG2 ILE A 43 63.442 8.245 -0.899 1.00 0.00 C ATOM 652 CD1 ILE A 43 63.257 8.462 2.749 1.00 0.00 C ATOM 0 H ILE A 43 60.042 8.090 1.714 1.00 0.00 H new ATOM 0 HA ILE A 43 61.222 9.655 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 43 62.524 7.230 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 43 64.178 9.493 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 43 62.578 10.083 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 43 64.446 7.904 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 43 63.007 7.578 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 43 63.493 9.256 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 43 63.691 9.130 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 43 62.254 8.171 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 43 63.879 7.572 2.653 1.00 0.00 H new ATOM 664 N ARG A 44 60.776 7.612 -2.111 1.00 0.00 N ATOM 665 CA ARG A 44 60.128 6.605 -2.997 1.00 0.00 C ATOM 666 C ARG A 44 61.140 6.105 -4.030 1.00 0.00 C ATOM 667 O ARG A 44 60.781 5.540 -5.044 1.00 0.00 O ATOM 668 CB ARG A 44 58.939 7.248 -3.708 1.00 0.00 C ATOM 669 CG ARG A 44 57.961 7.786 -2.663 1.00 0.00 C ATOM 670 CD ARG A 44 56.737 8.376 -3.366 1.00 0.00 C ATOM 671 NE ARG A 44 57.002 9.802 -3.706 1.00 0.00 N ATOM 672 CZ ARG A 44 56.693 10.258 -4.889 1.00 0.00 C ATOM 673 NH1 ARG A 44 57.483 10.030 -5.902 1.00 0.00 N ATOM 674 NH2 ARG A 44 55.594 10.940 -5.058 1.00 0.00 N ATOM 0 H ARG A 44 61.451 8.224 -2.570 1.00 0.00 H new ATOM 0 HA ARG A 44 59.780 5.762 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 44 59.280 8.056 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 44 58.443 6.517 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 44 57.656 6.986 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 44 58.446 8.548 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 44 56.515 7.810 -4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 44 55.862 8.301 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 44 57.425 10.421 -3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 44 58.342 9.496 -5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 44 57.242 10.386 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 44 54.977 11.117 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 44 55.352 11.297 -5.983 1.00 0.00 H new ATOM 688 N SER A 45 62.404 6.303 -3.776 1.00 0.00 N ATOM 689 CA SER A 45 63.441 5.831 -4.735 1.00 0.00 C ATOM 690 C SER A 45 63.879 4.426 -4.337 1.00 0.00 C ATOM 691 O SER A 45 63.331 3.442 -4.791 1.00 0.00 O ATOM 692 CB SER A 45 64.645 6.772 -4.687 1.00 0.00 C ATOM 693 OG SER A 45 64.628 7.617 -5.829 1.00 0.00 O ATOM 0 H SER A 45 62.764 6.772 -2.945 1.00 0.00 H new ATOM 0 HA SER A 45 63.033 5.819 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 45 64.616 7.371 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 45 65.570 6.196 -4.661 1.00 0.00 H new ATOM 0 HG SER A 45 64.512 8.548 -5.545 1.00 0.00 H new ATOM 699 N LYS A 46 64.860 4.334 -3.484 1.00 0.00 N ATOM 700 CA LYS A 46 65.356 3.005 -3.031 1.00 0.00 C ATOM 701 C LYS A 46 66.766 3.185 -2.481 1.00 0.00 C ATOM 702 O LYS A 46 67.018 2.986 -1.310 1.00 0.00 O ATOM 703 CB LYS A 46 65.381 2.025 -4.212 1.00 0.00 C ATOM 704 CG LYS A 46 66.251 0.815 -3.866 1.00 0.00 C ATOM 705 CD LYS A 46 65.885 -0.354 -4.784 1.00 0.00 C ATOM 706 CE LYS A 46 66.758 -0.313 -6.040 1.00 0.00 C ATOM 707 NZ LYS A 46 66.237 -1.287 -7.041 1.00 0.00 N ATOM 0 H LYS A 46 65.345 5.133 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 46 64.698 2.603 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 46 64.368 1.700 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 46 65.771 2.522 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 46 67.305 1.066 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 46 66.103 0.533 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 46 66.028 -1.299 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 46 64.832 -0.298 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 46 66.760 0.692 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 46 67.790 -0.554 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 66.990 -1.526 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 65.923 -2.151 -6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 65.434 -0.865 -7.551 1.00 0.00 H new ATOM 721 N VAL A 47 67.682 3.587 -3.314 1.00 0.00 N ATOM 722 CA VAL A 47 69.070 3.809 -2.829 1.00 0.00 C ATOM 723 C VAL A 47 69.149 5.224 -2.263 1.00 0.00 C ATOM 724 O VAL A 47 69.999 5.540 -1.455 1.00 0.00 O ATOM 725 CB VAL A 47 70.060 3.652 -3.984 1.00 0.00 C ATOM 726 CG1 VAL A 47 71.459 4.058 -3.517 1.00 0.00 C ATOM 727 CG2 VAL A 47 70.082 2.188 -4.440 1.00 0.00 C ATOM 0 H VAL A 47 67.531 3.771 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 47 69.323 3.079 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 47 69.754 4.290 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 47 72.164 3.946 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 47 71.446 5.098 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 47 71.765 3.420 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 47 70.787 2.074 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 47 70.389 1.553 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 47 69.086 1.895 -4.772 1.00 0.00 H new ATOM 737 N GLU A 48 68.244 6.073 -2.673 1.00 0.00 N ATOM 738 CA GLU A 48 68.235 7.466 -2.152 1.00 0.00 C ATOM 739 C GLU A 48 67.838 7.425 -0.681 1.00 0.00 C ATOM 740 O GLU A 48 68.450 8.057 0.158 1.00 0.00 O ATOM 741 CB GLU A 48 67.221 8.301 -2.936 1.00 0.00 C ATOM 742 CG GLU A 48 67.729 8.502 -4.363 1.00 0.00 C ATOM 743 CD GLU A 48 66.726 9.349 -5.148 1.00 0.00 C ATOM 744 OE1 GLU A 48 65.610 9.498 -4.678 1.00 0.00 O ATOM 745 OE2 GLU A 48 67.091 9.834 -6.206 1.00 0.00 O ATOM 0 H GLU A 48 67.510 5.859 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 48 69.222 7.915 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 48 66.253 7.800 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.074 9.266 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.702 8.993 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 48 67.866 7.537 -4.851 1.00 0.00 H new ATOM 752 N LEU A 49 66.830 6.664 -0.351 1.00 0.00 N ATOM 753 CA LEU A 49 66.427 6.570 1.074 1.00 0.00 C ATOM 754 C LEU A 49 67.504 5.779 1.809 1.00 0.00 C ATOM 755 O LEU A 49 67.707 5.928 2.996 1.00 0.00 O ATOM 756 CB LEU A 49 65.082 5.855 1.192 1.00 0.00 C ATOM 757 CG LEU A 49 65.218 4.414 0.706 1.00 0.00 C ATOM 758 CD1 LEU A 49 65.475 3.495 1.902 1.00 0.00 C ATOM 759 CD2 LEU A 49 63.922 3.997 0.010 1.00 0.00 C ATOM 0 H LEU A 49 66.275 6.109 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 49 66.322 7.565 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 49 64.742 5.869 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 49 64.329 6.378 0.602 1.00 0.00 H new ATOM 0 HG LEU A 49 66.051 4.338 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.572 2.466 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.395 3.798 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.641 3.566 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.012 2.969 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.092 4.070 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 49 63.737 4.655 -0.839 1.00 0.00 H new ATOM 771 N THR A 50 68.214 4.951 1.092 1.00 0.00 N ATOM 772 CA THR A 50 69.303 4.159 1.720 1.00 0.00 C ATOM 773 C THR A 50 70.425 5.114 2.117 1.00 0.00 C ATOM 774 O THR A 50 70.735 5.278 3.281 1.00 0.00 O ATOM 775 CB THR A 50 69.839 3.141 0.714 1.00 0.00 C ATOM 776 OG1 THR A 50 68.751 2.432 0.143 1.00 0.00 O ATOM 777 CG2 THR A 50 70.777 2.161 1.419 1.00 0.00 C ATOM 0 H THR A 50 68.084 4.790 0.093 1.00 0.00 H new ATOM 0 HA THR A 50 68.926 3.633 2.597 1.00 0.00 H new ATOM 0 HB THR A 50 70.390 3.660 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 50 68.188 3.052 -0.366 1.00 0.00 H new ATOM 0 HG21 THR A 50 71.156 1.437 0.697 1.00 0.00 H new ATOM 0 HG22 THR A 50 71.612 2.708 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 50 70.233 1.638 2.205 1.00 0.00 H new ATOM 785 N ARG A 51 71.029 5.758 1.155 1.00 0.00 N ATOM 786 CA ARG A 51 72.122 6.714 1.476 1.00 0.00 C ATOM 787 C ARG A 51 71.645 7.658 2.582 1.00 0.00 C ATOM 788 O ARG A 51 72.434 8.218 3.316 1.00 0.00 O ATOM 789 CB ARG A 51 72.500 7.522 0.227 1.00 0.00 C ATOM 790 CG ARG A 51 71.278 7.697 -0.680 1.00 0.00 C ATOM 791 CD ARG A 51 71.142 9.170 -1.071 1.00 0.00 C ATOM 792 NE ARG A 51 70.466 9.915 0.028 1.00 0.00 N ATOM 793 CZ ARG A 51 70.756 11.170 0.238 1.00 0.00 C ATOM 794 NH1 ARG A 51 70.495 12.062 -0.678 1.00 0.00 N ATOM 795 NH2 ARG A 51 71.304 11.533 1.365 1.00 0.00 N ATOM 0 H ARG A 51 70.812 5.662 0.163 1.00 0.00 H new ATOM 0 HA ARG A 51 73.001 6.164 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 51 72.887 8.498 0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 51 73.296 7.013 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 51 71.383 7.081 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 51 70.378 7.361 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 51 72.126 9.598 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 51 70.568 9.261 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 51 69.777 9.445 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 51 70.064 11.778 -1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 51 70.722 13.043 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 51 71.506 10.836 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 51 71.531 12.514 1.529 1.00 0.00 H new ATOM 809 N TYR A 52 70.356 7.831 2.712 1.00 0.00 N ATOM 810 CA TYR A 52 69.828 8.730 3.778 1.00 0.00 C ATOM 811 C TYR A 52 70.118 8.109 5.149 1.00 0.00 C ATOM 812 O TYR A 52 70.866 8.651 5.938 1.00 0.00 O ATOM 813 CB TYR A 52 68.315 8.913 3.591 1.00 0.00 C ATOM 814 CG TYR A 52 67.689 9.421 4.870 1.00 0.00 C ATOM 815 CD1 TYR A 52 68.312 10.440 5.600 1.00 0.00 C ATOM 816 CD2 TYR A 52 66.486 8.868 5.326 1.00 0.00 C ATOM 817 CE1 TYR A 52 67.731 10.908 6.785 1.00 0.00 C ATOM 818 CE2 TYR A 52 65.905 9.336 6.511 1.00 0.00 C ATOM 819 CZ TYR A 52 66.528 10.356 7.241 1.00 0.00 C ATOM 820 OH TYR A 52 65.956 10.816 8.409 1.00 0.00 O ATOM 0 H TYR A 52 69.647 7.389 2.127 1.00 0.00 H new ATOM 0 HA TYR A 52 70.313 9.704 3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 52 68.124 9.615 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 52 67.859 7.965 3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 52 69.241 10.865 5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 52 66.006 8.081 4.764 1.00 0.00 H new ATOM 0 HE1 TYR A 52 68.211 11.695 7.347 1.00 0.00 H new ATOM 0 HE2 TYR A 52 64.977 8.910 6.862 1.00 0.00 H new ATOM 0 HH TYR A 52 66.371 11.667 8.663 1.00 0.00 H new ATOM 830 N LEU A 53 69.535 6.976 5.442 1.00 0.00 N ATOM 831 CA LEU A 53 69.790 6.336 6.767 1.00 0.00 C ATOM 832 C LEU A 53 71.300 6.242 7.000 1.00 0.00 C ATOM 833 O LEU A 53 71.822 6.754 7.970 1.00 0.00 O ATOM 834 CB LEU A 53 69.186 4.928 6.797 1.00 0.00 C ATOM 835 CG LEU A 53 67.832 4.926 6.087 1.00 0.00 C ATOM 836 CD1 LEU A 53 67.946 4.124 4.791 1.00 0.00 C ATOM 837 CD2 LEU A 53 66.781 4.278 6.992 1.00 0.00 C ATOM 0 H LEU A 53 68.898 6.469 4.827 1.00 0.00 H new ATOM 0 HA LEU A 53 69.329 6.939 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.861 4.223 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 53 69.066 4.597 7.828 1.00 0.00 H new ATOM 0 HG LEU A 53 67.536 5.951 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 53 66.983 4.119 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 53 68.697 4.580 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 53 68.240 3.100 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 53 65.816 4.277 6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 53 67.075 3.252 7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 53 66.703 4.843 7.921 1.00 0.00 H new ATOM 849 N GLY A 54 72.006 5.589 6.116 1.00 0.00 N ATOM 850 CA GLY A 54 73.482 5.460 6.285 1.00 0.00 C ATOM 851 C GLY A 54 73.924 4.057 5.858 1.00 0.00 C ATOM 852 O GLY A 54 73.243 3.400 5.095 1.00 0.00 O ATOM 0 H GLY A 54 71.624 5.139 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 54 73.995 6.213 5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 54 73.757 5.639 7.325 1.00 0.00 H new ATOM 856 N PRO A 55 75.055 3.641 6.366 1.00 0.00 N ATOM 857 CA PRO A 55 75.623 2.316 6.060 1.00 0.00 C ATOM 858 C PRO A 55 74.903 1.232 6.866 1.00 0.00 C ATOM 859 O PRO A 55 75.089 0.052 6.643 1.00 0.00 O ATOM 860 CB PRO A 55 77.085 2.443 6.498 1.00 0.00 C ATOM 861 CG PRO A 55 77.133 3.597 7.527 1.00 0.00 C ATOM 862 CD PRO A 55 75.872 4.451 7.292 1.00 0.00 C ATOM 0 HA PRO A 55 75.521 2.035 5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.440 1.513 6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 55 77.729 2.656 5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.153 3.208 8.545 1.00 0.00 H new ATOM 0 HG3 PRO A 55 78.035 4.195 7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 55 75.343 4.645 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.122 5.420 6.860 1.00 0.00 H new ATOM 870 N ALA A 56 74.082 1.624 7.802 1.00 0.00 N ATOM 871 CA ALA A 56 73.349 0.619 8.622 1.00 0.00 C ATOM 872 C ALA A 56 72.185 0.050 7.809 1.00 0.00 C ATOM 873 O ALA A 56 71.596 -0.950 8.166 1.00 0.00 O ATOM 874 CB ALA A 56 72.810 1.289 9.886 1.00 0.00 C ATOM 0 H ALA A 56 73.887 2.598 8.034 1.00 0.00 H new ATOM 0 HA ALA A 56 74.026 -0.188 8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 56 72.273 0.554 10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 56 73.640 1.695 10.465 1.00 0.00 H new ATOM 0 HB3 ALA A 56 72.132 2.096 9.609 1.00 0.00 H new ATOM 880 N CYS A 57 71.852 0.680 6.718 1.00 0.00 N ATOM 881 CA CYS A 57 70.728 0.178 5.880 1.00 0.00 C ATOM 882 C CYS A 57 71.165 0.155 4.414 1.00 0.00 C ATOM 883 O CYS A 57 71.689 1.122 3.899 1.00 0.00 O ATOM 884 CB CYS A 57 69.523 1.106 6.042 1.00 0.00 C ATOM 885 SG CYS A 57 68.986 1.097 7.770 1.00 0.00 S ATOM 0 H CYS A 57 72.310 1.522 6.370 1.00 0.00 H new ATOM 0 HA CYS A 57 70.454 -0.829 6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 57 69.786 2.119 5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.709 0.779 5.395 1.00 0.00 H new ATOM 0 HG CYS A 57 67.687 1.101 7.821 1.00 0.00 H new ATOM 891 N ASP A 58 70.961 -0.943 3.738 1.00 0.00 N ATOM 892 CA ASP A 58 71.374 -1.021 2.308 1.00 0.00 C ATOM 893 C ASP A 58 70.185 -1.454 1.447 1.00 0.00 C ATOM 894 O ASP A 58 69.290 -2.135 1.904 1.00 0.00 O ATOM 895 CB ASP A 58 72.506 -2.040 2.158 1.00 0.00 C ATOM 896 CG ASP A 58 73.291 -1.744 0.879 1.00 0.00 C ATOM 897 OD1 ASP A 58 73.149 -0.649 0.362 1.00 0.00 O ATOM 898 OD2 ASP A 58 74.019 -2.618 0.439 1.00 0.00 O ATOM 0 H ASP A 58 70.528 -1.787 4.113 1.00 0.00 H new ATOM 0 HA ASP A 58 71.718 -0.040 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 58 73.168 -1.994 3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 58 72.098 -3.050 2.122 1.00 0.00 H new ATOM 903 N LEU A 59 70.174 -1.063 0.200 1.00 0.00 N ATOM 904 CA LEU A 59 69.048 -1.449 -0.697 1.00 0.00 C ATOM 905 C LEU A 59 69.565 -1.590 -2.129 1.00 0.00 C ATOM 906 O LEU A 59 68.801 -1.634 -3.073 1.00 0.00 O ATOM 907 CB LEU A 59 67.972 -0.364 -0.657 1.00 0.00 C ATOM 908 CG LEU A 59 67.239 -0.417 0.683 1.00 0.00 C ATOM 909 CD1 LEU A 59 67.933 0.510 1.682 1.00 0.00 C ATOM 910 CD2 LEU A 59 65.792 0.038 0.485 1.00 0.00 C ATOM 0 H LEU A 59 70.898 -0.492 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 59 68.626 -2.397 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 68.426 0.617 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 59 67.266 -0.508 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 59 67.253 -1.437 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 59 67.410 0.472 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 59 68.965 0.188 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 59 67.919 1.531 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 59 65.265 0.002 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 59 65.781 1.059 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 59 65.297 -0.622 -0.228 1.00 0.00 H new ATOM 922 N THR A 60 70.855 -1.658 -2.298 1.00 0.00 N ATOM 923 CA THR A 60 71.422 -1.791 -3.666 1.00 0.00 C ATOM 924 C THR A 60 70.659 -2.866 -4.442 1.00 0.00 C ATOM 925 O THR A 60 70.433 -2.746 -5.630 1.00 0.00 O ATOM 926 CB THR A 60 72.892 -2.194 -3.564 1.00 0.00 C ATOM 927 OG1 THR A 60 73.560 -1.323 -2.661 1.00 0.00 O ATOM 928 CG2 THR A 60 73.540 -2.098 -4.943 1.00 0.00 C ATOM 0 H THR A 60 71.542 -1.627 -1.545 1.00 0.00 H new ATOM 0 HA THR A 60 71.333 -0.838 -4.187 1.00 0.00 H new ATOM 0 HB THR A 60 72.966 -3.218 -3.199 1.00 0.00 H new ATOM 0 HG1 THR A 60 74.503 -1.582 -2.594 1.00 0.00 H new ATOM 0 HG21 THR A 60 74.589 -2.385 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 60 73.026 -2.767 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 60 73.468 -1.074 -5.308 1.00 0.00 H new ATOM 936 N LEU A 61 70.270 -3.920 -3.782 1.00 0.00 N ATOM 937 CA LEU A 61 69.533 -5.010 -4.482 1.00 0.00 C ATOM 938 C LEU A 61 68.085 -5.048 -3.991 1.00 0.00 C ATOM 939 O LEU A 61 67.305 -5.889 -4.393 1.00 0.00 O ATOM 940 CB LEU A 61 70.214 -6.347 -4.177 1.00 0.00 C ATOM 941 CG LEU A 61 71.492 -6.494 -5.019 1.00 0.00 C ATOM 942 CD1 LEU A 61 71.127 -7.003 -6.414 1.00 0.00 C ATOM 943 CD2 LEU A 61 72.205 -5.139 -5.144 1.00 0.00 C ATOM 0 H LEU A 61 70.430 -4.075 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 61 69.541 -4.829 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 61 70.459 -6.405 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 61 69.531 -7.169 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 61 72.158 -7.203 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 61 72.033 -7.107 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 61 70.634 -7.971 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 61 70.454 -6.293 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 61 73.108 -5.257 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 61 71.541 -4.422 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 61 72.472 -4.776 -4.152 1.00 0.00 H new ATOM 955 N PHE A 62 67.721 -4.144 -3.125 1.00 0.00 N ATOM 956 CA PHE A 62 66.326 -4.125 -2.606 1.00 0.00 C ATOM 957 C PHE A 62 65.346 -3.966 -3.770 1.00 0.00 C ATOM 958 O PHE A 62 65.629 -3.303 -4.747 1.00 0.00 O ATOM 959 CB PHE A 62 66.165 -2.947 -1.644 1.00 0.00 C ATOM 960 CG PHE A 62 64.716 -2.812 -1.244 1.00 0.00 C ATOM 961 CD1 PHE A 62 64.151 -3.723 -0.344 1.00 0.00 C ATOM 962 CD2 PHE A 62 63.938 -1.775 -1.773 1.00 0.00 C ATOM 963 CE1 PHE A 62 62.807 -3.596 0.027 1.00 0.00 C ATOM 964 CE2 PHE A 62 62.595 -1.649 -1.401 1.00 0.00 C ATOM 965 CZ PHE A 62 62.029 -2.560 -0.501 1.00 0.00 C ATOM 0 H PHE A 62 68.331 -3.416 -2.754 1.00 0.00 H new ATOM 0 HA PHE A 62 66.118 -5.060 -2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 62 66.784 -3.100 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 62 66.509 -2.028 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 62 64.751 -4.523 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 62 64.374 -1.073 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 62 62.370 -4.298 0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 62 61.995 -0.849 -1.808 1.00 0.00 H new ATOM 0 HZ PHE A 62 60.992 -2.463 -0.214 1.00 0.00 H new ATOM 975 N ASP A 63 64.192 -4.565 -3.668 1.00 0.00 N ATOM 976 CA ASP A 63 63.189 -4.444 -4.761 1.00 0.00 C ATOM 977 C ASP A 63 62.173 -3.365 -4.386 1.00 0.00 C ATOM 978 O ASP A 63 61.302 -3.578 -3.566 1.00 0.00 O ATOM 979 CB ASP A 63 62.471 -5.782 -4.944 1.00 0.00 C ATOM 980 CG ASP A 63 62.189 -6.013 -6.429 1.00 0.00 C ATOM 981 OD1 ASP A 63 62.719 -5.267 -7.236 1.00 0.00 O ATOM 982 OD2 ASP A 63 61.447 -6.932 -6.734 1.00 0.00 O ATOM 0 H ASP A 63 63.900 -5.134 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 63 63.687 -4.173 -5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 63 63.084 -6.592 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 63 61.538 -5.785 -4.381 1.00 0.00 H new ATOM 987 N PHE A 64 62.282 -2.203 -4.968 1.00 0.00 N ATOM 988 CA PHE A 64 61.327 -1.113 -4.628 1.00 0.00 C ATOM 989 C PHE A 64 59.926 -1.496 -5.108 1.00 0.00 C ATOM 990 O PHE A 64 59.396 -0.918 -6.037 1.00 0.00 O ATOM 991 CB PHE A 64 61.767 0.184 -5.308 1.00 0.00 C ATOM 992 CG PHE A 64 61.598 1.331 -4.342 1.00 0.00 C ATOM 993 CD1 PHE A 64 62.405 1.399 -3.202 1.00 0.00 C ATOM 994 CD2 PHE A 64 60.638 2.323 -4.580 1.00 0.00 C ATOM 995 CE1 PHE A 64 62.256 2.456 -2.300 1.00 0.00 C ATOM 996 CE2 PHE A 64 60.488 3.382 -3.676 1.00 0.00 C ATOM 997 CZ PHE A 64 61.298 3.448 -2.536 1.00 0.00 C ATOM 0 H PHE A 64 62.989 -1.962 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 64 61.312 -0.966 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 64 62.808 0.109 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 64 61.173 0.358 -6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 64 63.144 0.634 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 64 60.014 2.271 -5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 64 62.881 2.507 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 64 59.748 4.147 -3.858 1.00 0.00 H new ATOM 0 HZ PHE A 64 61.183 4.265 -1.839 1.00 0.00 H new ATOM 1007 N LYS A 65 59.321 -2.468 -4.481 1.00 0.00 N ATOM 1008 CA LYS A 65 57.955 -2.890 -4.897 1.00 0.00 C ATOM 1009 C LYS A 65 57.509 -4.087 -4.054 1.00 0.00 C ATOM 1010 O LYS A 65 56.401 -4.131 -3.558 1.00 0.00 O ATOM 1011 CB LYS A 65 57.970 -3.287 -6.375 1.00 0.00 C ATOM 1012 CG LYS A 65 56.582 -3.782 -6.784 1.00 0.00 C ATOM 1013 CD LYS A 65 56.587 -4.145 -8.271 1.00 0.00 C ATOM 1014 CE LYS A 65 56.631 -5.667 -8.425 1.00 0.00 C ATOM 1015 NZ LYS A 65 55.244 -6.191 -8.578 1.00 0.00 N ATOM 0 H LYS A 65 59.715 -2.988 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 65 57.261 -2.063 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 65 58.259 -2.434 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 65 58.711 -4.068 -6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 65 56.304 -4.651 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 65 55.837 -3.010 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 65 55.697 -3.745 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 65 57.449 -3.694 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 65 57.232 -5.938 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 65 57.108 -6.118 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 55.273 -7.225 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 54.685 -5.944 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 54.805 -5.770 -9.422 1.00 0.00 H new ATOM 1029 N GLN A 66 58.363 -5.061 -3.891 1.00 0.00 N ATOM 1030 CA GLN A 66 57.983 -6.255 -3.084 1.00 0.00 C ATOM 1031 C GLN A 66 58.411 -6.052 -1.627 1.00 0.00 C ATOM 1032 O GLN A 66 57.702 -6.414 -0.709 1.00 0.00 O ATOM 1033 CB GLN A 66 58.672 -7.497 -3.656 1.00 0.00 C ATOM 1034 CG GLN A 66 58.309 -7.646 -5.135 1.00 0.00 C ATOM 1035 CD GLN A 66 58.766 -9.015 -5.642 1.00 0.00 C ATOM 1036 OE1 GLN A 66 58.084 -9.645 -6.426 1.00 0.00 O ATOM 1037 NE2 GLN A 66 59.901 -9.506 -5.226 1.00 0.00 N ATOM 0 H GLN A 66 59.305 -5.081 -4.281 1.00 0.00 H new ATOM 0 HA GLN A 66 56.902 -6.390 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 66 59.753 -7.411 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 66 58.363 -8.384 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 66 57.232 -7.539 -5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 66 58.782 -6.855 -5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 66 60.474 -8.978 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 66 60.215 -10.418 -5.559 1.00 0.00 H new ATOM 1046 N GLY A 67 59.561 -5.475 -1.403 1.00 0.00 N ATOM 1047 CA GLY A 67 60.022 -5.251 -0.003 1.00 0.00 C ATOM 1048 C GLY A 67 61.137 -6.241 0.340 1.00 0.00 C ATOM 1049 O GLY A 67 61.244 -6.705 1.458 1.00 0.00 O ATOM 0 H GLY A 67 60.200 -5.150 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 67 60.383 -4.229 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 67 59.188 -5.374 0.688 1.00 0.00 H new ATOM 1053 N ILE A 68 61.970 -6.569 -0.610 1.00 0.00 N ATOM 1054 CA ILE A 68 63.076 -7.527 -0.328 1.00 0.00 C ATOM 1055 C ILE A 68 64.348 -7.071 -1.049 1.00 0.00 C ATOM 1056 O ILE A 68 64.333 -6.138 -1.825 1.00 0.00 O ATOM 1057 CB ILE A 68 62.681 -8.920 -0.823 1.00 0.00 C ATOM 1058 CG1 ILE A 68 62.276 -8.839 -2.297 1.00 0.00 C ATOM 1059 CG2 ILE A 68 61.502 -9.441 -0.001 1.00 0.00 C ATOM 1060 CD1 ILE A 68 63.415 -9.368 -3.170 1.00 0.00 C ATOM 0 H ILE A 68 61.933 -6.216 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 68 63.261 -7.560 0.746 1.00 0.00 H new ATOM 0 HB ILE A 68 63.528 -9.598 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 68 61.371 -9.422 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 68 62.047 -7.808 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 68 61.222 -10.433 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 68 61.788 -9.498 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 68 60.655 -8.764 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 68 63.126 -9.310 -4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 68 64.309 -8.766 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 68 63.623 -10.405 -2.908 1.00 0.00 H new ATOM 1072 N LEU A 69 65.447 -7.729 -0.800 1.00 0.00 N ATOM 1073 CA LEU A 69 66.722 -7.347 -1.467 1.00 0.00 C ATOM 1074 C LEU A 69 67.555 -8.610 -1.684 1.00 0.00 C ATOM 1075 O LEU A 69 67.055 -9.712 -1.583 1.00 0.00 O ATOM 1076 CB LEU A 69 67.494 -6.373 -0.576 1.00 0.00 C ATOM 1077 CG LEU A 69 67.737 -7.019 0.788 1.00 0.00 C ATOM 1078 CD1 LEU A 69 69.094 -6.571 1.335 1.00 0.00 C ATOM 1079 CD2 LEU A 69 66.633 -6.596 1.756 1.00 0.00 C ATOM 0 H LEU A 69 65.516 -8.520 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 69 66.514 -6.867 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 69 68.444 -6.111 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.932 -5.447 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 69 67.731 -8.104 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.265 -7.033 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.882 -6.874 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 69 69.103 -5.486 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 69 66.806 -7.056 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 69 66.638 -5.511 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 69 65.666 -6.918 1.369 1.00 0.00 H new ATOM 1091 N CYS A 70 68.819 -8.471 -1.974 1.00 0.00 N ATOM 1092 CA CYS A 70 69.654 -9.685 -2.186 1.00 0.00 C ATOM 1093 C CYS A 70 71.111 -9.393 -1.819 1.00 0.00 C ATOM 1094 O CYS A 70 71.411 -8.441 -1.126 1.00 0.00 O ATOM 1095 CB CYS A 70 69.574 -10.114 -3.652 1.00 0.00 C ATOM 1096 SG CYS A 70 67.844 -10.389 -4.109 1.00 0.00 S ATOM 0 H CYS A 70 69.305 -7.580 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 70 69.280 -10.487 -1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 70 70.012 -9.347 -4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 70 70.151 -11.026 -3.807 1.00 0.00 H new ATOM 0 HG CYS A 70 67.109 -10.402 -3.037 1.00 0.00 H new