USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 18 GLN : amide:sc= -1.18 K(o=-0.98,f=-4.2!) USER MOD Set 1.2: A 50 TYR OH : rot -68:sc= 0.2 USER MOD Single : A 5 TYR OH : rot 153:sc= -5.5! USER MOD Single : A 11 THR OG1 : rot 42:sc= -1.05 USER MOD Single : A 23 ASN : amide:sc= -2.97 K(o=-3,f=-11!) USER MOD Single : A 26 TYR OH : rot -172:sc= 0.838 USER MOD Single : A 37 TYR OH : rot 110:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.47 K(o=-2.5,f=-9.7!) USER MOD Single : A 41 TYR OH : rot -166:sc= 0.202 USER MOD Single : A 47 HIS : no HD1:sc= -2.65 X(o=-2.7,f=-3.1!) USER MOD Single : A 49 ASN : amide:sc= -0.988 K(o=-0.99,f=-0.27) USER MOD Single : A 54 THR OG1 : rot -45:sc= 0.808 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 66 ASN : amide:sc= -0.544 K(o=-0.54,f=-0.036) USER MOD Single : A 69 HIS : no HE2:sc= -0.18 K(o=-0.18,f=-2.9!) USER MOD Single : A 70 HIS : no HD1:sc= -7.31! K(o=-7.3!,f=-5.1) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00461 USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 4 -1.021 -1.760 -11.383 1.00 0.00 N ATOM 56 CA PRO A 4 0.193 -1.204 -10.767 1.00 0.00 C ATOM 57 C PRO A 4 0.144 0.315 -10.645 1.00 0.00 C ATOM 58 O PRO A 4 -0.626 0.978 -11.339 1.00 0.00 O ATOM 59 CB PRO A 4 1.310 -1.615 -11.735 1.00 0.00 C ATOM 60 CG PRO A 4 0.753 -2.760 -12.507 1.00 0.00 C ATOM 61 CD PRO A 4 -0.718 -2.491 -12.625 1.00 0.00 C ATOM 0 HA PRO A 4 0.329 -1.571 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.583 -0.791 -12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.212 -1.905 -11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.218 -2.833 -13.490 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.939 -3.705 -11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.950 -1.898 -13.509 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.292 -3.414 -12.700 1.00 0.00 H new ATOM 69 N TYR A 5 0.986 0.866 -9.771 1.00 0.00 N ATOM 70 CA TYR A 5 1.047 2.311 -9.581 1.00 0.00 C ATOM 71 C TYR A 5 2.476 2.758 -9.320 1.00 0.00 C ATOM 72 O TYR A 5 2.927 3.761 -9.874 1.00 0.00 O ATOM 73 CB TYR A 5 0.132 2.767 -8.438 1.00 0.00 C ATOM 74 CG TYR A 5 -1.290 3.005 -8.888 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.108 1.942 -9.240 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.807 4.291 -8.985 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.403 2.152 -9.671 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.099 4.509 -9.420 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.894 3.437 -9.762 1.00 0.00 C ATOM 80 OH TYR A 5 -5.180 3.651 -10.198 1.00 0.00 O ATOM 0 H TYR A 5 1.632 0.335 -9.187 1.00 0.00 H new ATOM 0 HA TYR A 5 0.694 2.778 -10.501 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.138 2.013 -7.651 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.530 3.684 -8.004 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.726 0.934 -9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.188 5.134 -8.716 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.029 1.313 -9.936 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.485 5.515 -9.492 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.518 4.489 -9.820 1.00 0.00 H new ATOM 90 N VAL A 6 3.196 2.006 -8.492 1.00 0.00 N ATOM 91 CA VAL A 6 4.575 2.337 -8.191 1.00 0.00 C ATOM 92 C VAL A 6 4.693 3.710 -7.537 1.00 0.00 C ATOM 93 O VAL A 6 4.126 4.692 -8.014 1.00 0.00 O ATOM 94 CB VAL A 6 5.424 2.315 -9.468 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.905 2.436 -9.140 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.146 1.050 -10.261 1.00 0.00 C ATOM 0 H VAL A 6 2.846 1.170 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 6 4.941 1.585 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 6 5.149 3.174 -10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.485 2.418 -10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.086 3.375 -8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.206 1.602 -8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.755 1.046 -11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.392 0.179 -9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.091 1.016 -10.534 1.00 0.00 H new ATOM 106 N GLY A 7 5.430 3.767 -6.438 1.00 0.00 N ATOM 107 CA GLY A 7 5.610 5.017 -5.726 1.00 0.00 C ATOM 108 C GLY A 7 5.918 4.804 -4.260 1.00 0.00 C ATOM 109 O GLY A 7 5.398 3.875 -3.647 1.00 0.00 O ATOM 0 H GLY A 7 5.909 2.967 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.421 5.582 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.707 5.620 -5.821 1.00 0.00 H new ATOM 113 N ILE A 8 6.755 5.664 -3.686 1.00 0.00 N ATOM 114 CA ILE A 8 7.094 5.542 -2.276 1.00 0.00 C ATOM 115 C ILE A 8 6.150 6.390 -1.446 1.00 0.00 C ATOM 116 O ILE A 8 6.341 7.591 -1.284 1.00 0.00 O ATOM 117 CB ILE A 8 8.559 5.936 -2.000 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.486 4.923 -2.689 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.825 6.011 -0.497 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.520 4.286 -1.781 1.00 0.00 C ATOM 0 H ILE A 8 7.204 6.442 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 8 6.984 4.495 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 8 8.757 6.927 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.876 4.135 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.002 5.423 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.864 6.290 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.170 6.757 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.631 5.039 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.127 3.586 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.160 5.061 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.017 3.752 -0.975 1.00 0.00 H new ATOM 132 N TRP A 9 5.125 5.742 -0.928 1.00 0.00 N ATOM 133 CA TRP A 9 4.121 6.413 -0.121 1.00 0.00 C ATOM 134 C TRP A 9 4.564 6.462 1.333 1.00 0.00 C ATOM 135 O TRP A 9 4.631 5.440 2.014 1.00 0.00 O ATOM 136 CB TRP A 9 2.774 5.703 -0.279 1.00 0.00 C ATOM 137 CG TRP A 9 2.377 5.546 -1.724 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.936 4.700 -2.641 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.353 6.265 -2.423 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.325 4.846 -3.864 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.347 5.801 -3.756 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.437 7.255 -2.052 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.463 6.294 -4.711 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.440 7.742 -3.003 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.422 7.261 -4.319 1.00 0.00 C ATOM 0 H TRP A 9 4.964 4.743 -1.052 1.00 0.00 H new ATOM 0 HA TRP A 9 4.003 7.441 -0.463 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.826 4.720 0.190 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.004 6.267 0.248 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.744 4.014 -2.434 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.560 4.329 -4.711 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.415 7.632 -1.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.475 5.926 -5.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.151 8.506 -2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.121 7.662 -5.038 1.00 0.00 H new ATOM 156 N VAL A 10 4.895 7.665 1.787 1.00 0.00 N ATOM 157 CA VAL A 10 5.371 7.864 3.152 1.00 0.00 C ATOM 158 C VAL A 10 4.406 8.716 3.969 1.00 0.00 C ATOM 159 O VAL A 10 3.646 9.515 3.423 1.00 0.00 O ATOM 160 CB VAL A 10 6.767 8.526 3.157 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.204 8.887 4.570 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.791 7.613 2.500 1.00 0.00 C ATOM 0 H VAL A 10 4.843 8.518 1.230 1.00 0.00 H new ATOM 0 HA VAL A 10 5.435 6.878 3.611 1.00 0.00 H new ATOM 0 HB VAL A 10 6.701 9.450 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.190 9.351 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.488 9.585 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.247 7.984 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.769 8.095 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.843 6.672 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.496 7.417 1.469 1.00 0.00 H new ATOM 172 N THR A 11 4.451 8.533 5.283 1.00 0.00 N ATOM 173 CA THR A 11 3.588 9.277 6.194 1.00 0.00 C ATOM 174 C THR A 11 3.916 10.769 6.169 1.00 0.00 C ATOM 175 O THR A 11 4.767 11.215 5.400 1.00 0.00 O ATOM 176 CB THR A 11 3.733 8.728 7.612 1.00 0.00 C ATOM 177 OG1 THR A 11 5.024 8.174 7.808 1.00 0.00 O ATOM 178 CG2 THR A 11 2.718 7.656 7.936 1.00 0.00 C ATOM 0 H THR A 11 5.078 7.873 5.743 1.00 0.00 H new ATOM 0 HA THR A 11 2.556 9.154 5.865 1.00 0.00 H new ATOM 0 HB THR A 11 3.568 9.579 8.273 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.696 8.758 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.872 7.306 8.957 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.713 8.066 7.841 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.836 6.822 7.244 1.00 0.00 H new ATOM 186 N ALA A 12 3.230 11.536 7.013 1.00 0.00 N ATOM 187 CA ALA A 12 3.445 12.979 7.085 1.00 0.00 C ATOM 188 C ALA A 12 4.632 13.326 7.978 1.00 0.00 C ATOM 189 O ALA A 12 5.191 14.419 7.883 1.00 0.00 O ATOM 190 CB ALA A 12 2.186 13.679 7.582 1.00 0.00 C ATOM 0 H ALA A 12 2.521 11.183 7.656 1.00 0.00 H new ATOM 0 HA ALA A 12 3.673 13.330 6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.362 14.754 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.363 13.477 6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.931 13.308 8.575 1.00 0.00 H new ATOM 196 N ASP A 13 5.016 12.396 8.848 1.00 0.00 N ATOM 197 CA ASP A 13 6.136 12.618 9.753 1.00 0.00 C ATOM 198 C ASP A 13 7.373 11.860 9.283 1.00 0.00 C ATOM 199 O ASP A 13 8.502 12.256 9.570 1.00 0.00 O ATOM 200 CB ASP A 13 5.767 12.183 11.173 1.00 0.00 C ATOM 201 CG ASP A 13 5.191 13.321 11.992 1.00 0.00 C ATOM 202 OD1 ASP A 13 4.093 13.806 11.648 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.838 13.727 12.981 1.00 0.00 O ATOM 0 H ASP A 13 4.569 11.484 8.944 1.00 0.00 H new ATOM 0 HA ASP A 13 6.363 13.684 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.043 11.370 11.125 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.653 11.791 11.672 1.00 0.00 H new ATOM 208 N GLY A 14 7.153 10.763 8.564 1.00 0.00 N ATOM 209 CA GLY A 14 8.261 9.969 8.075 1.00 0.00 C ATOM 210 C GLY A 14 8.602 8.830 9.013 1.00 0.00 C ATOM 211 O GLY A 14 9.734 8.344 9.025 1.00 0.00 O ATOM 0 H GLY A 14 6.229 10.412 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.013 9.567 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.135 10.607 7.947 1.00 0.00 H new ATOM 215 N ARG A 15 7.620 8.397 9.798 1.00 0.00 N ATOM 216 CA ARG A 15 7.830 7.297 10.737 1.00 0.00 C ATOM 217 C ARG A 15 7.850 5.971 9.989 1.00 0.00 C ATOM 218 O ARG A 15 8.544 5.034 10.383 1.00 0.00 O ATOM 219 CB ARG A 15 6.759 7.262 11.844 1.00 0.00 C ATOM 220 CG ARG A 15 5.629 8.268 11.682 1.00 0.00 C ATOM 221 CD ARG A 15 4.665 7.852 10.583 1.00 0.00 C ATOM 222 NE ARG A 15 3.407 7.342 11.123 1.00 0.00 N ATOM 223 CZ ARG A 15 2.427 8.117 11.581 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.555 9.438 11.565 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.316 7.570 12.055 1.00 0.00 N ATOM 0 H ARG A 15 6.677 8.787 9.804 1.00 0.00 H new ATOM 0 HA ARG A 15 8.793 7.461 11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.330 6.261 11.881 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.245 7.437 12.804 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.089 8.364 12.624 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.044 9.249 11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.462 8.706 9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.131 7.086 9.963 1.00 0.00 H new ATOM 0 HE ARG A 15 3.272 6.331 11.151 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.407 9.863 11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.801 10.028 11.917 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.213 6.555 12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.565 8.164 12.406 1.00 0.00 H new ATOM 239 N ILE A 16 7.097 5.905 8.895 1.00 0.00 N ATOM 240 CA ILE A 16 7.045 4.697 8.082 1.00 0.00 C ATOM 241 C ILE A 16 7.045 5.049 6.601 1.00 0.00 C ATOM 242 O ILE A 16 6.648 6.148 6.215 1.00 0.00 O ATOM 243 CB ILE A 16 5.821 3.804 8.429 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.666 3.994 7.436 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.343 4.076 9.845 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.615 2.920 6.371 1.00 0.00 C ATOM 0 H ILE A 16 6.517 6.671 8.553 1.00 0.00 H new ATOM 0 HA ILE A 16 7.940 4.119 8.310 1.00 0.00 H new ATOM 0 HB ILE A 16 6.151 2.768 8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.723 4.001 7.982 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.764 4.968 6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.486 3.441 10.068 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.147 3.860 10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.053 5.123 9.936 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.777 3.111 5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.544 2.928 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.487 1.946 6.843 1.00 0.00 H new ATOM 258 N ARG A 17 7.496 4.116 5.779 1.00 0.00 N ATOM 259 CA ARG A 17 7.553 4.335 4.342 1.00 0.00 C ATOM 260 C ARG A 17 7.095 3.089 3.588 1.00 0.00 C ATOM 261 O ARG A 17 7.550 1.981 3.870 1.00 0.00 O ATOM 262 CB ARG A 17 8.981 4.735 3.938 1.00 0.00 C ATOM 263 CG ARG A 17 9.583 3.913 2.809 1.00 0.00 C ATOM 264 CD ARG A 17 11.074 4.168 2.679 1.00 0.00 C ATOM 265 NE ARG A 17 11.860 3.254 3.504 1.00 0.00 N ATOM 266 CZ ARG A 17 13.157 3.017 3.319 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.816 3.622 2.339 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.797 2.171 4.116 1.00 0.00 N ATOM 0 H ARG A 17 7.828 3.200 6.081 1.00 0.00 H new ATOM 0 HA ARG A 17 6.875 5.146 4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.978 5.784 3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.627 4.652 4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.407 2.853 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.086 4.160 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.370 4.060 1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.292 5.196 2.968 1.00 0.00 H new ATOM 0 HE ARG A 17 11.387 2.769 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.329 4.273 1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.810 3.437 2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.295 1.702 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.791 1.989 3.974 1.00 0.00 H new ATOM 282 N GLN A 18 6.197 3.278 2.627 1.00 0.00 N ATOM 283 CA GLN A 18 5.682 2.170 1.831 1.00 0.00 C ATOM 284 C GLN A 18 6.024 2.356 0.359 1.00 0.00 C ATOM 285 O GLN A 18 5.539 3.282 -0.288 1.00 0.00 O ATOM 286 CB GLN A 18 4.171 2.039 2.019 1.00 0.00 C ATOM 287 CG GLN A 18 3.595 0.757 1.438 1.00 0.00 C ATOM 288 CD GLN A 18 2.201 0.948 0.874 1.00 0.00 C ATOM 289 OE1 GLN A 18 2.027 1.167 -0.324 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.196 0.868 1.740 1.00 0.00 N ATOM 0 H GLN A 18 5.810 4.189 2.380 1.00 0.00 H new ATOM 0 HA GLN A 18 6.156 1.251 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.941 2.081 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.680 2.893 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.254 0.391 0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.568 -0.009 2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.385 0.685 2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.235 0.990 1.419 1.00 0.00 H new ATOM 299 N GLU A 19 6.871 1.471 -0.165 1.00 0.00 N ATOM 300 CA GLU A 19 7.282 1.549 -1.561 1.00 0.00 C ATOM 301 C GLU A 19 6.385 0.714 -2.453 1.00 0.00 C ATOM 302 O GLU A 19 6.233 -0.491 -2.248 1.00 0.00 O ATOM 303 CB GLU A 19 8.727 1.078 -1.731 1.00 0.00 C ATOM 304 CG GLU A 19 9.189 1.017 -3.179 1.00 0.00 C ATOM 305 CD GLU A 19 10.662 0.680 -3.308 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.004 -0.520 -3.245 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.473 1.616 -3.471 1.00 0.00 O ATOM 0 H GLU A 19 7.283 0.696 0.355 1.00 0.00 H new ATOM 0 HA GLU A 19 7.201 2.595 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.385 1.748 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.831 0.089 -1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.601 0.270 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.996 1.977 -3.659 1.00 0.00 H new ATOM 314 N LEU A 20 5.836 1.348 -3.473 1.00 0.00 N ATOM 315 CA LEU A 20 5.006 0.645 -4.429 1.00 0.00 C ATOM 316 C LEU A 20 5.907 0.155 -5.553 1.00 0.00 C ATOM 317 O LEU A 20 6.511 0.945 -6.278 1.00 0.00 O ATOM 318 CB LEU A 20 3.869 1.537 -4.943 1.00 0.00 C ATOM 319 CG LEU A 20 2.715 1.754 -3.957 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.451 2.162 -4.689 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.459 0.511 -3.119 1.00 0.00 C ATOM 0 H LEU A 20 5.950 2.344 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 20 4.520 -0.208 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.284 2.508 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.468 1.098 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 20 3.006 2.561 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.646 2.310 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.628 3.090 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.169 1.379 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.635 0.699 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.202 -0.322 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.356 0.264 -2.551 1.00 0.00 H new ATOM 333 N LEU A 21 6.054 -1.155 -5.626 1.00 0.00 N ATOM 334 CA LEU A 21 6.944 -1.784 -6.586 1.00 0.00 C ATOM 335 C LEU A 21 6.518 -1.590 -8.033 1.00 0.00 C ATOM 336 O LEU A 21 5.349 -1.352 -8.329 1.00 0.00 O ATOM 337 CB LEU A 21 7.071 -3.270 -6.263 1.00 0.00 C ATOM 338 CG LEU A 21 8.345 -3.678 -5.498 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.123 -2.460 -5.002 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.990 -4.578 -4.329 1.00 0.00 C ATOM 0 H LEU A 21 5.561 -1.813 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 21 7.911 -1.290 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.204 -3.571 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.034 -3.831 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 21 8.985 -4.222 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.014 -2.790 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.417 -1.845 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.494 -1.875 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.899 -4.859 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.322 -4.047 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.494 -5.475 -4.698 1.00 0.00 H new ATOM 352 N PRO A 22 7.498 -1.701 -8.953 1.00 0.00 N ATOM 353 CA PRO A 22 7.277 -1.545 -10.394 1.00 0.00 C ATOM 354 C PRO A 22 6.342 -2.605 -10.959 1.00 0.00 C ATOM 355 O PRO A 22 5.795 -2.444 -12.049 1.00 0.00 O ATOM 356 CB PRO A 22 8.681 -1.692 -11.001 1.00 0.00 C ATOM 357 CG PRO A 22 9.621 -1.477 -9.865 1.00 0.00 C ATOM 358 CD PRO A 22 8.911 -1.995 -8.651 1.00 0.00 C ATOM 0 HA PRO A 22 6.800 -0.592 -10.624 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.817 -2.679 -11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.846 -0.961 -11.793 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.559 -2.008 -10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.867 -0.421 -9.754 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.081 -3.062 -8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.244 -1.494 -7.742 1.00 0.00 H new ATOM 366 N ASN A 23 6.159 -3.693 -10.214 1.00 0.00 N ATOM 367 CA ASN A 23 5.284 -4.766 -10.655 1.00 0.00 C ATOM 368 C ASN A 23 3.889 -4.612 -10.057 1.00 0.00 C ATOM 369 O ASN A 23 3.142 -5.584 -9.943 1.00 0.00 O ATOM 370 CB ASN A 23 5.878 -6.122 -10.276 1.00 0.00 C ATOM 371 CG ASN A 23 6.011 -6.305 -8.779 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.682 -5.413 -7.998 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.498 -7.473 -8.371 1.00 0.00 N ATOM 0 H ASN A 23 6.603 -3.850 -9.309 1.00 0.00 H new ATOM 0 HA ASN A 23 5.196 -4.711 -11.740 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.249 -6.915 -10.680 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.859 -6.226 -10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.612 -7.658 -7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.758 -8.184 -9.055 1.00 0.00 H new ATOM 380 N GLY A 24 3.546 -3.386 -9.675 1.00 0.00 N ATOM 381 CA GLY A 24 2.243 -3.128 -9.092 1.00 0.00 C ATOM 382 C GLY A 24 2.090 -3.779 -7.738 1.00 0.00 C ATOM 383 O GLY A 24 1.127 -4.503 -7.493 1.00 0.00 O ATOM 0 H GLY A 24 4.148 -2.567 -9.759 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.095 -2.052 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.467 -3.498 -9.762 1.00 0.00 H new ATOM 387 N ARG A 25 3.049 -3.523 -6.858 1.00 0.00 N ATOM 388 CA ARG A 25 3.026 -4.096 -5.517 1.00 0.00 C ATOM 389 C ARG A 25 3.482 -3.080 -4.484 1.00 0.00 C ATOM 390 O ARG A 25 3.775 -1.938 -4.824 1.00 0.00 O ATOM 391 CB ARG A 25 3.896 -5.346 -5.463 1.00 0.00 C ATOM 392 CG ARG A 25 3.522 -6.361 -6.526 1.00 0.00 C ATOM 393 CD ARG A 25 2.151 -6.968 -6.260 1.00 0.00 C ATOM 394 NE ARG A 25 2.166 -8.426 -6.367 1.00 0.00 N ATOM 395 CZ ARG A 25 2.745 -9.229 -5.478 1.00 0.00 C ATOM 396 NH1 ARG A 25 3.356 -8.724 -4.413 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.713 -10.543 -5.654 1.00 0.00 N ATOM 0 H ARG A 25 3.852 -2.923 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 25 1.999 -4.376 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.941 -5.063 -5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.805 -5.805 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.525 -5.882 -7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.272 -7.152 -6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.815 -6.681 -5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.430 -6.560 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 25 1.705 -8.853 -7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.384 -7.714 -4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.798 -9.346 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.245 -10.937 -6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.156 -11.160 -4.973 1.00 0.00 H new ATOM 411 N TYR A 26 3.509 -3.485 -3.218 1.00 0.00 N ATOM 412 CA TYR A 26 3.897 -2.577 -2.148 1.00 0.00 C ATOM 413 C TYR A 26 4.834 -3.230 -1.139 1.00 0.00 C ATOM 414 O TYR A 26 4.770 -4.434 -0.894 1.00 0.00 O ATOM 415 CB TYR A 26 2.636 -2.037 -1.465 1.00 0.00 C ATOM 416 CG TYR A 26 2.210 -2.786 -0.228 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.934 -2.687 0.947 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.074 -3.578 -0.240 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.541 -3.364 2.085 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.669 -4.258 0.889 1.00 0.00 C ATOM 421 CZ TYR A 26 1.405 -4.149 2.052 1.00 0.00 C ATOM 422 OH TYR A 26 1.006 -4.825 3.181 1.00 0.00 O ATOM 0 H TYR A 26 3.269 -4.428 -2.911 1.00 0.00 H new ATOM 0 HA TYR A 26 4.457 -1.752 -2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.804 -0.993 -1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.816 -2.056 -2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.820 -2.071 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.496 -3.664 -1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.118 -3.280 2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.219 -4.872 0.864 1.00 0.00 H new ATOM 0 HH TYR A 26 0.269 -5.431 2.956 1.00 0.00 H new ATOM 432 N ASP A 27 5.690 -2.404 -0.548 1.00 0.00 N ATOM 433 CA ASP A 27 6.650 -2.846 0.455 1.00 0.00 C ATOM 434 C ASP A 27 6.895 -1.723 1.455 1.00 0.00 C ATOM 435 O ASP A 27 7.472 -0.693 1.108 1.00 0.00 O ATOM 436 CB ASP A 27 7.968 -3.246 -0.209 1.00 0.00 C ATOM 437 CG ASP A 27 8.220 -4.742 -0.145 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.614 -5.480 -0.947 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.024 -5.171 0.711 1.00 0.00 O ATOM 0 H ASP A 27 5.737 -1.406 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 27 6.244 -3.714 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.958 -2.927 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.790 -2.721 0.277 1.00 0.00 H new ATOM 444 N GLU A 28 6.440 -1.906 2.689 1.00 0.00 N ATOM 445 CA GLU A 28 6.605 -0.878 3.706 1.00 0.00 C ATOM 446 C GLU A 28 7.730 -1.213 4.678 1.00 0.00 C ATOM 447 O GLU A 28 7.836 -2.334 5.175 1.00 0.00 O ATOM 448 CB GLU A 28 5.274 -0.648 4.443 1.00 0.00 C ATOM 449 CG GLU A 28 5.409 -0.327 5.927 1.00 0.00 C ATOM 450 CD GLU A 28 4.094 -0.454 6.671 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.165 0.326 6.371 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.992 -1.332 7.552 1.00 0.00 O ATOM 0 H GLU A 28 5.959 -2.748 3.006 1.00 0.00 H new ATOM 0 HA GLU A 28 6.891 0.048 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.743 0.170 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.656 -1.539 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.142 -0.997 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.792 0.687 6.043 1.00 0.00 H new ATOM 459 N ALA A 29 8.561 -0.210 4.949 1.00 0.00 N ATOM 460 CA ALA A 29 9.681 -0.357 5.866 1.00 0.00 C ATOM 461 C ALA A 29 9.529 0.597 7.044 1.00 0.00 C ATOM 462 O ALA A 29 9.732 1.803 6.910 1.00 0.00 O ATOM 463 CB ALA A 29 10.992 -0.093 5.138 1.00 0.00 C ATOM 0 H ALA A 29 8.476 0.721 4.541 1.00 0.00 H new ATOM 0 HA ALA A 29 9.691 -1.379 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.824 -0.206 5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.104 -0.805 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.988 0.921 4.738 1.00 0.00 H new ATOM 469 N ARG A 30 9.160 0.051 8.198 1.00 0.00 N ATOM 470 CA ARG A 30 8.972 0.860 9.397 1.00 0.00 C ATOM 471 C ARG A 30 10.136 0.692 10.367 1.00 0.00 C ATOM 472 O ARG A 30 10.363 -0.394 10.901 1.00 0.00 O ATOM 473 CB ARG A 30 7.659 0.483 10.087 1.00 0.00 C ATOM 474 CG ARG A 30 6.501 0.283 9.121 1.00 0.00 C ATOM 475 CD ARG A 30 5.174 0.664 9.757 1.00 0.00 C ATOM 476 NE ARG A 30 4.727 -0.332 10.728 1.00 0.00 N ATOM 477 CZ ARG A 30 3.497 -0.372 11.236 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.590 0.524 10.868 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.174 -1.310 12.115 1.00 0.00 N ATOM 0 H ARG A 30 8.986 -0.945 8.328 1.00 0.00 H new ATOM 0 HA ARG A 30 8.932 1.906 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.808 -0.434 10.658 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.396 1.264 10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.663 0.885 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.467 -0.759 8.802 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.272 1.632 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.418 0.777 8.980 1.00 0.00 H new ATOM 0 HE ARG A 30 5.396 -1.038 11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.834 1.248 10.192 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.649 0.488 11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.868 -2.001 12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.232 -1.341 12.505 1.00 0.00 H new ATOM 571 N ALA A 36 8.283 -4.917 6.910 1.00 0.00 N ATOM 572 CA ALA A 36 7.305 -5.321 7.914 1.00 0.00 C ATOM 573 C ALA A 36 6.108 -6.004 7.266 1.00 0.00 C ATOM 574 O ALA A 36 5.626 -7.030 7.747 1.00 0.00 O ATOM 575 CB ALA A 36 6.855 -4.107 8.713 1.00 0.00 C ATOM 0 HA ALA A 36 7.775 -6.038 8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.125 -4.414 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.716 -3.658 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.402 -3.377 8.042 1.00 0.00 H new ATOM 581 N TYR A 37 5.641 -5.427 6.167 1.00 0.00 N ATOM 582 CA TYR A 37 4.505 -5.966 5.435 1.00 0.00 C ATOM 583 C TYR A 37 4.567 -5.583 3.959 1.00 0.00 C ATOM 584 O TYR A 37 4.923 -4.457 3.609 1.00 0.00 O ATOM 585 CB TYR A 37 3.195 -5.468 6.043 1.00 0.00 C ATOM 586 CG TYR A 37 2.354 -6.576 6.627 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.672 -7.132 7.855 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.250 -7.068 5.944 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.913 -8.154 8.392 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.483 -8.090 6.473 1.00 0.00 C ATOM 591 CZ TYR A 37 0.819 -8.630 7.697 1.00 0.00 C ATOM 592 OH TYR A 37 0.059 -9.646 8.228 1.00 0.00 O ATOM 0 H TYR A 37 6.036 -4.579 5.761 1.00 0.00 H new ATOM 0 HA TYR A 37 4.546 -7.053 5.511 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.417 -4.739 6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.620 -4.949 5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.527 -6.761 8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.986 -6.646 4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.174 -8.578 9.350 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.374 -8.463 5.931 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.815 -9.294 8.497 1.00 0.00 H new ATOM 602 N GLN A 38 4.207 -6.531 3.104 1.00 0.00 N ATOM 603 CA GLN A 38 4.204 -6.315 1.661 1.00 0.00 C ATOM 604 C GLN A 38 3.169 -7.220 1.008 1.00 0.00 C ATOM 605 O GLN A 38 2.885 -8.308 1.510 1.00 0.00 O ATOM 606 CB GLN A 38 5.587 -6.585 1.051 1.00 0.00 C ATOM 607 CG GLN A 38 6.706 -6.750 2.071 1.00 0.00 C ATOM 608 CD GLN A 38 6.603 -8.049 2.851 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.077 -8.078 3.963 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.109 -9.131 2.272 1.00 0.00 N ATOM 0 H GLN A 38 3.911 -7.465 3.387 1.00 0.00 H new ATOM 0 HA GLN A 38 3.951 -5.271 1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.532 -7.487 0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.841 -5.764 0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.667 -6.714 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.684 -5.911 2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.536 -9.063 1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.070 -10.031 2.751 1.00 0.00 H new ATOM 619 N GLY A 39 2.602 -6.773 -0.106 1.00 0.00 N ATOM 620 CA GLY A 39 1.603 -7.580 -0.782 1.00 0.00 C ATOM 621 C GLY A 39 1.254 -7.060 -2.158 1.00 0.00 C ATOM 622 O GLY A 39 2.123 -6.923 -3.019 1.00 0.00 O ATOM 0 H GLY A 39 2.812 -5.879 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.969 -8.603 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.700 -7.615 -0.173 1.00 0.00 H new ATOM 626 N ARG A 40 -0.026 -6.773 -2.367 1.00 0.00 N ATOM 627 CA ARG A 40 -0.497 -6.269 -3.644 1.00 0.00 C ATOM 628 C ARG A 40 -1.762 -5.459 -3.438 1.00 0.00 C ATOM 629 O ARG A 40 -2.393 -5.542 -2.385 1.00 0.00 O ATOM 630 CB ARG A 40 -0.756 -7.427 -4.611 1.00 0.00 C ATOM 631 CG ARG A 40 -1.940 -8.300 -4.218 1.00 0.00 C ATOM 632 CD ARG A 40 -1.632 -9.779 -4.395 1.00 0.00 C ATOM 633 NE ARG A 40 -2.509 -10.406 -5.381 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.336 -10.307 -6.697 1.00 0.00 C ATOM 635 NH1 ARG A 40 -1.323 -9.605 -7.189 1.00 0.00 N ATOM 636 NH2 ARG A 40 -3.180 -10.910 -7.524 1.00 0.00 N ATOM 0 H ARG A 40 -0.756 -6.883 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 40 0.269 -5.626 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.929 -7.024 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.138 -8.048 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.206 -8.106 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.806 -8.033 -4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.594 -9.899 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.740 -10.289 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.301 -10.952 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.672 -9.138 -6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.195 -9.533 -8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.961 -11.449 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.048 -10.834 -8.533 1.00 0.00 H new ATOM 650 N TYR A 41 -2.132 -4.670 -4.433 1.00 0.00 N ATOM 651 CA TYR A 41 -3.327 -3.852 -4.317 1.00 0.00 C ATOM 652 C TYR A 41 -4.150 -3.847 -5.591 1.00 0.00 C ATOM 653 O TYR A 41 -3.644 -4.097 -6.686 1.00 0.00 O ATOM 654 CB TYR A 41 -2.962 -2.413 -3.952 1.00 0.00 C ATOM 655 CG TYR A 41 -1.694 -1.924 -4.608 1.00 0.00 C ATOM 656 CD1 TYR A 41 -1.724 -1.297 -5.849 1.00 0.00 C ATOM 657 CD2 TYR A 41 -0.466 -2.088 -3.985 1.00 0.00 C ATOM 658 CE1 TYR A 41 -0.565 -0.850 -6.449 1.00 0.00 C ATOM 659 CE2 TYR A 41 0.696 -1.642 -4.578 1.00 0.00 C ATOM 660 CZ TYR A 41 0.643 -1.024 -5.809 1.00 0.00 C ATOM 661 OH TYR A 41 1.804 -0.579 -6.402 1.00 0.00 O ATOM 0 H TYR A 41 -1.631 -4.579 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.930 -4.296 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.784 -1.756 -4.236 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.853 -2.338 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.670 -1.158 -6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.419 -2.572 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.604 -0.367 -7.414 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.645 -1.776 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 41 2.577 -0.968 -5.941 1.00 0.00 H new ATOM 671 N GLU A 42 -5.423 -3.528 -5.427 1.00 0.00 N ATOM 672 CA GLU A 42 -6.353 -3.441 -6.541 1.00 0.00 C ATOM 673 C GLU A 42 -6.959 -2.046 -6.566 1.00 0.00 C ATOM 674 O GLU A 42 -7.456 -1.569 -5.548 1.00 0.00 O ATOM 675 CB GLU A 42 -7.453 -4.500 -6.410 1.00 0.00 C ATOM 676 CG GLU A 42 -7.677 -5.302 -7.681 1.00 0.00 C ATOM 677 CD GLU A 42 -9.081 -5.864 -7.777 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.994 -5.286 -7.149 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.270 -6.878 -8.480 1.00 0.00 O ATOM 0 H GLU A 42 -5.841 -3.322 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.821 -3.627 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.195 -5.182 -5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.386 -4.011 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.484 -4.667 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.959 -6.121 -7.721 1.00 0.00 H new ATOM 686 N VAL A 43 -6.892 -1.379 -7.710 1.00 0.00 N ATOM 687 CA VAL A 43 -7.412 -0.023 -7.812 1.00 0.00 C ATOM 688 C VAL A 43 -8.694 0.058 -8.633 1.00 0.00 C ATOM 689 O VAL A 43 -8.730 -0.323 -9.804 1.00 0.00 O ATOM 690 CB VAL A 43 -6.361 0.934 -8.416 1.00 0.00 C ATOM 691 CG1 VAL A 43 -6.956 2.319 -8.647 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.138 1.020 -7.512 1.00 0.00 C ATOM 0 H VAL A 43 -6.488 -1.749 -8.570 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.645 0.284 -6.792 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.051 0.534 -9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.197 2.975 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.798 2.243 -9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.300 2.730 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.407 1.698 -7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.435 1.393 -6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.695 0.030 -7.404 1.00 0.00 H new ATOM 702 N ARG A 44 -9.731 0.601 -8.008 1.00 0.00 N ATOM 703 CA ARG A 44 -11.019 0.799 -8.656 1.00 0.00 C ATOM 704 C ARG A 44 -11.302 2.294 -8.713 1.00 0.00 C ATOM 705 O ARG A 44 -11.977 2.842 -7.843 1.00 0.00 O ATOM 706 CB ARG A 44 -12.126 0.077 -7.884 1.00 0.00 C ATOM 707 CG ARG A 44 -12.802 -1.027 -8.680 1.00 0.00 C ATOM 708 CD ARG A 44 -14.013 -0.509 -9.436 1.00 0.00 C ATOM 709 NE ARG A 44 -15.119 -1.464 -9.422 1.00 0.00 N ATOM 710 CZ ARG A 44 -15.942 -1.630 -8.388 1.00 0.00 C ATOM 711 NH1 ARG A 44 -15.788 -0.908 -7.286 1.00 0.00 N ATOM 712 NH2 ARG A 44 -16.921 -2.521 -8.458 1.00 0.00 N ATOM 0 H ARG A 44 -9.702 0.916 -7.038 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.992 0.386 -9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.704 -0.349 -6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.877 0.805 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.090 -1.458 -9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.108 -1.827 -8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.341 0.432 -8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.732 -0.295 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.269 -2.037 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.036 -0.221 -7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.421 -1.040 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.044 -3.079 -9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.552 -2.649 -7.667 1.00 0.00 H new ATOM 726 N GLY A 45 -10.737 2.954 -9.716 1.00 0.00 N ATOM 727 CA GLY A 45 -10.895 4.388 -9.835 1.00 0.00 C ATOM 728 C GLY A 45 -9.860 5.102 -9.000 1.00 0.00 C ATOM 729 O GLY A 45 -8.713 5.258 -9.417 1.00 0.00 O ATOM 0 H GLY A 45 -10.173 2.521 -10.448 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.798 4.686 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.895 4.678 -9.513 1.00 0.00 H new ATOM 733 N ALA A 46 -10.252 5.486 -7.798 1.00 0.00 N ATOM 734 CA ALA A 46 -9.342 6.132 -6.869 1.00 0.00 C ATOM 735 C ALA A 46 -9.367 5.390 -5.542 1.00 0.00 C ATOM 736 O ALA A 46 -8.899 5.893 -4.523 1.00 0.00 O ATOM 737 CB ALA A 46 -9.696 7.597 -6.677 1.00 0.00 C ATOM 0 H ALA A 46 -11.199 5.361 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.334 6.096 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.996 8.052 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.638 8.114 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.709 7.678 -6.282 1.00 0.00 H new ATOM 743 N HIS A 47 -9.919 4.176 -5.571 1.00 0.00 N ATOM 744 CA HIS A 47 -10.011 3.343 -4.376 1.00 0.00 C ATOM 745 C HIS A 47 -9.085 2.139 -4.502 1.00 0.00 C ATOM 746 O HIS A 47 -8.947 1.570 -5.584 1.00 0.00 O ATOM 747 CB HIS A 47 -11.452 2.877 -4.160 1.00 0.00 C ATOM 748 CG HIS A 47 -12.177 3.645 -3.099 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.509 3.104 -1.874 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.635 4.918 -3.083 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.140 4.013 -1.151 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.228 5.123 -1.862 1.00 0.00 N ATOM 0 H HIS A 47 -10.309 3.749 -6.411 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.704 3.936 -3.515 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.998 2.966 -5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.447 1.820 -3.893 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.550 5.639 -3.882 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.519 3.872 -0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.666 5.991 -1.554 1.00 0.00 H new ATOM 761 N ILE A 48 -8.441 1.756 -3.402 1.00 0.00 N ATOM 762 CA ILE A 48 -7.523 0.622 -3.436 1.00 0.00 C ATOM 763 C ILE A 48 -7.502 -0.143 -2.118 1.00 0.00 C ATOM 764 O ILE A 48 -7.664 0.431 -1.042 1.00 0.00 O ATOM 765 CB ILE A 48 -6.084 1.071 -3.804 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.015 0.150 -3.180 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.851 2.520 -3.394 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.567 0.559 -1.789 1.00 0.00 C ATOM 0 H ILE A 48 -8.535 2.205 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.894 -0.049 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.987 0.994 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.409 -0.866 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.145 0.127 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.836 2.815 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.564 3.163 -3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.986 2.620 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.815 -0.143 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.140 1.561 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.423 0.553 -1.114 1.00 0.00 H new ATOM 780 N ASN A 49 -7.272 -1.447 -2.229 1.00 0.00 N ATOM 781 CA ASN A 49 -7.188 -2.324 -1.070 1.00 0.00 C ATOM 782 C ASN A 49 -5.950 -3.209 -1.183 1.00 0.00 C ATOM 783 O ASN A 49 -5.569 -3.617 -2.280 1.00 0.00 O ATOM 784 CB ASN A 49 -8.445 -3.194 -0.939 1.00 0.00 C ATOM 785 CG ASN A 49 -9.608 -2.687 -1.772 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.620 -2.235 -1.235 1.00 0.00 O ATOM 787 ND2 ASN A 49 -9.469 -2.761 -3.090 1.00 0.00 N ATOM 0 H ASN A 49 -7.139 -1.923 -3.121 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.113 -1.704 -0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.207 -4.214 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.745 -3.233 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.218 -2.436 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.613 -3.143 -3.492 1.00 0.00 H new ATOM 794 N TYR A 50 -5.327 -3.500 -0.049 1.00 0.00 N ATOM 795 CA TYR A 50 -4.133 -4.331 -0.014 1.00 0.00 C ATOM 796 C TYR A 50 -4.486 -5.735 0.443 1.00 0.00 C ATOM 797 O TYR A 50 -4.899 -5.930 1.581 1.00 0.00 O ATOM 798 CB TYR A 50 -3.114 -3.737 0.963 1.00 0.00 C ATOM 799 CG TYR A 50 -2.576 -2.381 0.563 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.914 -2.196 -0.643 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.730 -1.280 1.401 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.420 -0.955 -1.003 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.241 -0.039 1.046 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.586 0.119 -0.156 1.00 0.00 C ATOM 805 OH TYR A 50 -1.098 1.355 -0.513 1.00 0.00 O ATOM 0 H TYR A 50 -5.633 -3.169 0.866 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.708 -4.368 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.578 -3.654 1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.279 -4.430 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.782 -3.034 -1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.241 -1.399 2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.906 -0.828 -1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.371 0.805 1.708 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.118 1.332 -0.515 1.00 0.00 H new ATOM 815 N TRP A 51 -4.310 -6.714 -0.432 1.00 0.00 N ATOM 816 CA TRP A 51 -4.604 -8.093 -0.077 1.00 0.00 C ATOM 817 C TRP A 51 -3.306 -8.884 0.052 1.00 0.00 C ATOM 818 O TRP A 51 -2.807 -9.443 -0.924 1.00 0.00 O ATOM 819 CB TRP A 51 -5.531 -8.737 -1.110 1.00 0.00 C ATOM 820 CG TRP A 51 -5.723 -10.210 -0.909 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.549 -10.813 -0.004 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.075 -11.266 -1.628 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.454 -12.180 -0.117 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.555 -12.482 -1.106 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.135 -11.301 -2.661 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.127 -13.718 -1.584 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -3.711 -12.528 -3.134 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.208 -13.723 -2.596 1.00 0.00 C ATOM 0 H TRP A 51 -3.968 -6.581 -1.384 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.119 -8.103 0.884 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.502 -8.244 -1.071 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.126 -8.565 -2.107 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -7.184 -10.292 0.698 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.969 -12.859 0.444 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.747 -10.385 -3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.508 -14.640 -1.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.984 -12.567 -3.932 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.858 -14.666 -2.989 1.00 0.00 H new ATOM 839 N ASP A 52 -2.762 -8.909 1.263 1.00 0.00 N ATOM 840 CA ASP A 52 -1.510 -9.615 1.521 1.00 0.00 C ATOM 841 C ASP A 52 -1.674 -11.122 1.384 1.00 0.00 C ATOM 842 O ASP A 52 -2.780 -11.654 1.498 1.00 0.00 O ATOM 843 CB ASP A 52 -0.983 -9.288 2.919 1.00 0.00 C ATOM 844 CG ASP A 52 -0.246 -7.962 2.961 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.890 -6.917 2.728 1.00 0.00 O ATOM 846 OD2 ASP A 52 0.974 -7.970 3.222 1.00 0.00 O ATOM 0 H ASP A 52 -3.165 -8.451 2.080 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.793 -9.277 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.816 -9.261 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.314 -10.083 3.248 1.00 0.00 H new ATOM 851 N ASP A 53 -0.560 -11.800 1.145 1.00 0.00 N ATOM 852 CA ASP A 53 -0.559 -13.248 0.998 1.00 0.00 C ATOM 853 C ASP A 53 -0.465 -13.942 2.358 1.00 0.00 C ATOM 854 O ASP A 53 -0.677 -15.151 2.458 1.00 0.00 O ATOM 855 CB ASP A 53 0.604 -13.688 0.108 1.00 0.00 C ATOM 856 CG ASP A 53 0.485 -13.155 -1.306 1.00 0.00 C ATOM 857 OD1 ASP A 53 0.999 -12.048 -1.569 1.00 0.00 O ATOM 858 OD2 ASP A 53 -0.124 -13.845 -2.151 1.00 0.00 O ATOM 0 H ASP A 53 0.359 -11.367 1.048 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.500 -13.538 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.542 -13.345 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.645 -14.777 0.080 1.00 0.00 H new ATOM 863 N THR A 54 -0.140 -13.178 3.402 1.00 0.00 N ATOM 864 CA THR A 54 -0.017 -13.744 4.742 1.00 0.00 C ATOM 865 C THR A 54 -1.331 -13.666 5.516 1.00 0.00 C ATOM 866 O THR A 54 -1.342 -13.688 6.747 1.00 0.00 O ATOM 867 CB THR A 54 1.101 -13.047 5.522 1.00 0.00 C ATOM 868 OG1 THR A 54 1.340 -13.707 6.752 1.00 0.00 O ATOM 869 CG2 THR A 54 0.808 -11.596 5.831 1.00 0.00 C ATOM 0 H THR A 54 0.041 -12.176 3.345 1.00 0.00 H new ATOM 0 HA THR A 54 0.236 -14.798 4.626 1.00 0.00 H new ATOM 0 HB THR A 54 1.974 -13.091 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.485 -13.913 7.184 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.643 -11.166 6.385 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.669 -11.047 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.099 -11.528 6.431 1.00 0.00 H new ATOM 877 N GLY A 55 -2.435 -13.610 4.783 1.00 0.00 N ATOM 878 CA GLY A 55 -3.745 -13.571 5.410 1.00 0.00 C ATOM 879 C GLY A 55 -4.167 -12.201 5.920 1.00 0.00 C ATOM 880 O GLY A 55 -5.020 -12.116 6.805 1.00 0.00 O ATOM 0 H GLY A 55 -2.448 -13.591 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.487 -13.920 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.754 -14.273 6.244 1.00 0.00 H new ATOM 884 N PHE A 56 -3.602 -11.127 5.371 1.00 0.00 N ATOM 885 CA PHE A 56 -3.975 -9.791 5.800 1.00 0.00 C ATOM 886 C PHE A 56 -4.588 -9.028 4.641 1.00 0.00 C ATOM 887 O PHE A 56 -4.425 -9.396 3.479 1.00 0.00 O ATOM 888 CB PHE A 56 -2.748 -9.042 6.354 1.00 0.00 C ATOM 889 CG PHE A 56 -2.732 -7.554 6.077 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.681 -7.069 4.777 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.774 -6.644 7.123 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.675 -5.708 4.525 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.767 -5.284 6.878 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.721 -4.815 5.577 1.00 0.00 C ATOM 0 H PHE A 56 -2.894 -11.159 4.638 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.714 -9.870 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.702 -9.197 7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.847 -9.486 5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.646 -7.764 3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.813 -7.003 8.141 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.634 -5.346 3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.797 -4.587 7.702 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.721 -3.752 5.385 1.00 0.00 H new ATOM 904 N THR A 57 -5.260 -7.940 4.969 1.00 0.00 N ATOM 905 CA THR A 57 -5.862 -7.089 3.957 1.00 0.00 C ATOM 906 C THR A 57 -6.140 -5.701 4.516 1.00 0.00 C ATOM 907 O THR A 57 -6.543 -5.553 5.670 1.00 0.00 O ATOM 908 CB THR A 57 -7.146 -7.698 3.377 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.287 -6.960 3.778 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.383 -9.145 3.759 1.00 0.00 C ATOM 0 H THR A 57 -5.403 -7.624 5.928 1.00 0.00 H new ATOM 0 HA THR A 57 -5.143 -7.005 3.142 1.00 0.00 H new ATOM 0 HB THR A 57 -6.998 -7.654 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.092 -7.367 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.311 -9.494 3.306 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.554 -9.756 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.455 -9.228 4.843 1.00 0.00 H new ATOM 918 N ALA A 58 -5.917 -4.687 3.691 1.00 0.00 N ATOM 919 CA ALA A 58 -6.143 -3.305 4.112 1.00 0.00 C ATOM 920 C ALA A 58 -6.768 -2.473 2.997 1.00 0.00 C ATOM 921 O ALA A 58 -6.206 -2.347 1.916 1.00 0.00 O ATOM 922 CB ALA A 58 -4.834 -2.675 4.567 1.00 0.00 C ATOM 0 H ALA A 58 -5.582 -4.790 2.733 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.844 -3.322 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.014 -1.646 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.429 -3.242 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.120 -2.685 3.744 1.00 0.00 H new ATOM 928 N ASP A 59 -7.936 -1.901 3.272 1.00 0.00 N ATOM 929 CA ASP A 59 -8.632 -1.083 2.285 1.00 0.00 C ATOM 930 C ASP A 59 -8.271 0.392 2.428 1.00 0.00 C ATOM 931 O ASP A 59 -7.949 0.863 3.519 1.00 0.00 O ATOM 932 CB ASP A 59 -10.145 -1.264 2.418 1.00 0.00 C ATOM 933 CG ASP A 59 -10.643 -0.948 3.814 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.900 0.240 4.099 1.00 0.00 O ATOM 935 OD2 ASP A 59 -10.780 -1.891 4.623 1.00 0.00 O ATOM 0 H ASP A 59 -8.419 -1.988 4.166 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.315 -1.415 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.650 -0.618 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.409 -2.291 2.164 1.00 0.00 H new ATOM 940 N GLY A 60 -8.331 1.111 1.313 1.00 0.00 N ATOM 941 CA GLY A 60 -8.015 2.528 1.314 1.00 0.00 C ATOM 942 C GLY A 60 -8.574 3.232 0.094 1.00 0.00 C ATOM 943 O GLY A 60 -9.345 2.646 -0.665 1.00 0.00 O ATOM 0 H GLY A 60 -8.595 0.735 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.418 2.989 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.933 2.659 1.345 1.00 0.00 H new ATOM 947 N ASP A 61 -8.189 4.489 -0.101 1.00 0.00 N ATOM 948 CA ASP A 61 -8.669 5.254 -1.246 1.00 0.00 C ATOM 949 C ASP A 61 -7.880 6.547 -1.421 1.00 0.00 C ATOM 950 O ASP A 61 -7.675 7.297 -0.467 1.00 0.00 O ATOM 951 CB ASP A 61 -10.157 5.571 -1.083 1.00 0.00 C ATOM 952 CG ASP A 61 -10.481 6.136 0.286 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.186 5.461 1.293 1.00 0.00 O ATOM 954 OD2 ASP A 61 -11.033 7.256 0.350 1.00 0.00 O ATOM 0 H ASP A 61 -7.552 4.996 0.513 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.524 4.645 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.460 6.285 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.739 4.664 -1.246 1.00 0.00 H new ATOM 959 N PHE A 62 -7.452 6.805 -2.653 1.00 0.00 N ATOM 960 CA PHE A 62 -6.698 8.009 -2.965 1.00 0.00 C ATOM 961 C PHE A 62 -7.581 9.240 -2.833 1.00 0.00 C ATOM 962 O PHE A 62 -8.486 9.460 -3.638 1.00 0.00 O ATOM 963 CB PHE A 62 -6.130 7.945 -4.385 1.00 0.00 C ATOM 964 CG PHE A 62 -5.347 6.697 -4.706 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.776 5.919 -3.706 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.173 6.307 -6.025 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.052 4.785 -4.018 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.453 5.173 -6.341 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.890 4.411 -5.338 1.00 0.00 C ATOM 0 H PHE A 62 -7.616 6.193 -3.452 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.873 8.077 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.954 8.030 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.485 8.810 -4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.900 6.205 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.607 6.899 -6.817 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.613 4.191 -3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.330 4.882 -7.374 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.324 3.525 -5.584 1.00 0.00 H new ATOM 979 N VAL A 63 -7.306 10.040 -1.816 1.00 0.00 N ATOM 980 CA VAL A 63 -8.069 11.262 -1.575 1.00 0.00 C ATOM 981 C VAL A 63 -7.527 12.425 -2.400 1.00 0.00 C ATOM 982 O VAL A 63 -8.203 13.439 -2.574 1.00 0.00 O ATOM 983 CB VAL A 63 -8.060 11.660 -0.086 1.00 0.00 C ATOM 984 CG1 VAL A 63 -9.062 10.825 0.695 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.664 11.522 0.503 1.00 0.00 C ATOM 0 H VAL A 63 -6.560 9.868 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.094 11.048 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.354 12.707 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.042 11.120 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.062 10.986 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.802 9.770 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.683 11.808 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.332 10.487 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.975 12.171 -0.038 1.00 0.00 H new ATOM 995 N SER A 64 -6.308 12.276 -2.909 1.00 0.00 N ATOM 996 CA SER A 64 -5.685 13.318 -3.713 1.00 0.00 C ATOM 997 C SER A 64 -4.693 12.718 -4.703 1.00 0.00 C ATOM 998 O SER A 64 -4.568 11.498 -4.810 1.00 0.00 O ATOM 999 CB SER A 64 -4.975 14.332 -2.814 1.00 0.00 C ATOM 1000 OG SER A 64 -4.603 15.489 -3.542 1.00 0.00 O ATOM 0 H SER A 64 -5.733 11.443 -2.778 1.00 0.00 H new ATOM 0 HA SER A 64 -6.469 13.828 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.630 14.613 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.088 13.875 -2.375 1.00 0.00 H new ATOM 0 HG SER A 64 -4.153 16.121 -2.944 1.00 0.00 H new ATOM 1006 N ALA A 65 -3.989 13.583 -5.426 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.008 13.136 -6.407 1.00 0.00 C ATOM 1008 C ALA A 65 -1.714 12.696 -5.730 1.00 0.00 C ATOM 1009 O ALA A 65 -0.975 11.868 -6.265 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.729 14.244 -7.412 1.00 0.00 C ATOM 0 H ALA A 65 -4.080 14.596 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.422 12.276 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.995 13.899 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.653 14.510 -7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.340 15.118 -6.891 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.441 13.255 -4.555 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.233 12.918 -3.810 1.00 0.00 C ATOM 1018 C ASN A 66 -0.561 12.390 -2.412 1.00 0.00 C ATOM 1019 O ASN A 66 0.339 12.018 -1.662 1.00 0.00 O ATOM 1020 CB ASN A 66 0.680 14.145 -3.702 1.00 0.00 C ATOM 1021 CG ASN A 66 1.819 14.125 -4.710 1.00 0.00 C ATOM 1022 OD1 ASN A 66 2.900 14.652 -4.443 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.591 13.520 -5.874 1.00 0.00 N ATOM 0 H ASN A 66 -2.040 13.943 -4.099 1.00 0.00 H new ATOM 0 HA ASN A 66 0.282 12.127 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.087 15.047 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.094 14.197 -2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.325 13.482 -6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.682 13.095 -6.058 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.846 12.359 -2.062 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.264 11.873 -0.751 1.00 0.00 C ATOM 1032 C GLU A 67 -2.924 10.502 -0.861 1.00 0.00 C ATOM 1033 O GLU A 67 -3.613 10.208 -1.838 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.225 12.867 -0.093 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.919 13.128 1.373 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.836 14.170 1.984 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -5.067 13.965 1.956 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -3.323 15.189 2.489 1.00 0.00 O ATOM 0 H GLU A 67 -2.611 12.663 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.374 11.777 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.187 13.811 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.243 12.488 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.011 12.196 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.885 13.457 1.471 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.702 9.666 0.146 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.264 8.321 0.172 1.00 0.00 C ATOM 1047 C LEU A 68 -3.955 8.061 1.504 1.00 0.00 C ATOM 1048 O LEU A 68 -3.487 8.504 2.552 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.141 7.296 -0.085 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.344 5.861 0.450 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.565 5.825 1.956 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.494 5.187 -0.273 1.00 0.00 C ATOM 0 H LEU A 68 -2.133 9.898 0.960 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.014 8.222 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.984 7.234 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.222 7.689 0.349 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.424 5.312 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.702 4.793 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.698 6.251 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.453 6.405 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.625 4.177 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.409 5.758 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.276 5.141 -1.340 1.00 0.00 H new ATOM 1064 N HIS A 69 -5.060 7.327 1.460 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.794 6.993 2.673 1.00 0.00 C ATOM 1066 C HIS A 69 -6.009 5.489 2.779 1.00 0.00 C ATOM 1067 O HIS A 69 -6.816 4.915 2.048 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.140 7.710 2.707 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.090 9.049 3.375 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.924 9.770 3.533 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -8.071 9.799 3.931 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -6.191 10.904 4.156 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.485 10.946 4.408 1.00 0.00 N ATOM 0 H HIS A 69 -5.466 6.954 0.602 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.198 7.324 3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.501 7.836 1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.864 7.081 3.226 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -5.000 9.474 3.218 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.119 9.543 3.989 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.472 11.667 4.415 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.292 4.855 3.698 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.426 3.415 3.898 1.00 0.00 C ATOM 1084 C HIS A 70 -5.295 3.064 5.376 1.00 0.00 C ATOM 1085 O HIS A 70 -4.443 3.604 6.080 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.401 2.646 3.041 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.098 2.321 3.720 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -1.870 2.596 3.154 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -2.832 1.720 4.907 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -0.911 2.180 3.959 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.467 1.646 5.029 1.00 0.00 N ATOM 0 H HIS A 70 -4.617 5.309 4.313 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.421 3.111 3.572 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.859 1.714 2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.188 3.233 2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.559 1.366 5.623 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.150 2.263 3.773 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.964 1.243 5.820 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.157 2.166 5.843 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.127 1.770 7.240 1.00 0.00 C ATOM 1102 C GLY A 71 -6.276 2.956 8.172 1.00 0.00 C ATOM 1103 O GLY A 71 -5.868 2.899 9.332 1.00 0.00 O ATOM 0 H GLY A 71 -6.874 1.707 5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.928 1.056 7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.188 1.259 7.451 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.862 4.035 7.660 1.00 0.00 N ATOM 1108 CA GLY A 72 -7.053 5.229 8.460 1.00 0.00 C ATOM 1109 C GLY A 72 -5.777 6.036 8.604 1.00 0.00 C ATOM 1110 O GLY A 72 -5.608 6.767 9.581 1.00 0.00 O ATOM 0 H GLY A 72 -7.208 4.102 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.823 5.850 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.415 4.947 9.449 1.00 0.00 H new ATOM 1114 N MET A 73 -4.876 5.900 7.635 1.00 0.00 N ATOM 1115 CA MET A 73 -3.612 6.620 7.666 1.00 0.00 C ATOM 1116 C MET A 73 -3.500 7.584 6.493 1.00 0.00 C ATOM 1117 O MET A 73 -4.259 7.497 5.528 1.00 0.00 O ATOM 1118 CB MET A 73 -2.452 5.626 7.632 1.00 0.00 C ATOM 1119 CG MET A 73 -1.786 5.421 8.982 1.00 0.00 C ATOM 1120 SD MET A 73 -2.269 3.871 9.767 1.00 0.00 S ATOM 1121 CE MET A 73 -1.054 3.764 11.079 1.00 0.00 C ATOM 0 H MET A 73 -5.000 5.298 6.821 1.00 0.00 H new ATOM 0 HA MET A 73 -3.571 7.200 8.588 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.818 4.666 7.267 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.706 5.975 6.918 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.704 5.437 8.855 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.042 6.252 9.639 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.221 2.855 11.656 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.053 3.741 10.647 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.147 4.631 11.733 1.00 0.00 H new ATOM 1131 N THR A 74 -2.534 8.492 6.576 1.00 0.00 N ATOM 1132 CA THR A 74 -2.305 9.464 5.516 1.00 0.00 C ATOM 1133 C THR A 74 -0.914 9.277 4.927 1.00 0.00 C ATOM 1134 O THR A 74 0.091 9.592 5.563 1.00 0.00 O ATOM 1135 CB THR A 74 -2.464 10.889 6.045 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.587 10.985 6.903 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.635 11.917 4.947 1.00 0.00 C ATOM 0 H THR A 74 -1.897 8.574 7.368 1.00 0.00 H new ATOM 0 HA THR A 74 -3.047 9.302 4.734 1.00 0.00 H new ATOM 0 HB THR A 74 -1.540 11.103 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.670 11.904 7.232 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.743 12.907 5.389 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.761 11.903 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.525 11.682 4.364 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.865 8.746 3.714 1.00 0.00 N ATOM 1146 CA PHE A 75 0.400 8.494 3.037 1.00 0.00 C ATOM 1147 C PHE A 75 0.589 9.429 1.851 1.00 0.00 C ATOM 1148 O PHE A 75 -0.267 9.514 0.971 1.00 0.00 O ATOM 1149 CB PHE A 75 0.443 7.041 2.570 1.00 0.00 C ATOM 1150 CG PHE A 75 0.861 6.083 3.641 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.201 5.879 3.922 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.090 5.385 4.371 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.588 5.000 4.910 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.293 4.502 5.361 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.634 4.309 5.633 1.00 0.00 C ATOM 0 H PHE A 75 -1.690 8.480 3.176 1.00 0.00 H new ATOM 0 HA PHE A 75 1.212 8.680 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.543 6.756 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.132 6.958 1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.952 6.415 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.139 5.534 4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.637 4.851 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.455 3.962 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.936 3.620 6.408 1.00 0.00 H new ATOM 1165 N TYR A 76 1.720 10.121 1.825 1.00 0.00 N ATOM 1166 CA TYR A 76 2.023 11.033 0.739 1.00 0.00 C ATOM 1167 C TYR A 76 3.031 10.397 -0.201 1.00 0.00 C ATOM 1168 O TYR A 76 3.946 9.697 0.235 1.00 0.00 O ATOM 1169 CB TYR A 76 2.561 12.356 1.276 1.00 0.00 C ATOM 1170 CG TYR A 76 1.736 12.917 2.410 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.850 12.406 3.695 1.00 0.00 C ATOM 1172 CD2 TYR A 76 0.834 13.950 2.191 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.088 12.908 4.733 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.071 14.462 3.223 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.202 13.937 4.491 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.557 14.440 5.524 1.00 0.00 O ATOM 0 H TYR A 76 2.440 10.066 2.545 1.00 0.00 H new ATOM 0 HA TYR A 76 1.104 11.239 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.586 12.212 1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.594 13.083 0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.546 11.603 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.727 14.360 1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.186 12.497 5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.623 15.268 3.037 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.129 15.161 5.188 1.00 0.00 H new ATOM 1186 N ARG A 77 2.851 10.629 -1.486 1.00 0.00 N ATOM 1187 CA ARG A 77 3.737 10.064 -2.489 1.00 0.00 C ATOM 1188 C ARG A 77 5.178 10.498 -2.248 1.00 0.00 C ATOM 1189 O ARG A 77 5.423 11.605 -1.782 1.00 0.00 O ATOM 1190 CB ARG A 77 3.280 10.476 -3.890 1.00 0.00 C ATOM 1191 CG ARG A 77 3.661 9.485 -4.977 1.00 0.00 C ATOM 1192 CD ARG A 77 2.963 8.149 -4.784 1.00 0.00 C ATOM 1193 NE ARG A 77 2.639 7.513 -6.060 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.772 8.013 -6.939 1.00 0.00 C ATOM 1195 NH1 ARG A 77 1.141 9.153 -6.684 1.00 0.00 N ATOM 1196 NH2 ARG A 77 1.535 7.371 -8.074 1.00 0.00 N ATOM 0 H ARG A 77 2.099 11.206 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 77 3.694 8.978 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.197 10.599 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.710 11.448 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.400 9.895 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.741 9.336 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.602 7.487 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.048 8.297 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 77 3.104 6.635 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.319 9.650 -5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.478 9.531 -7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.016 6.494 -8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.871 7.754 -8.747 1.00 0.00 H new ATOM 1210 N GLU A 78 6.109 9.593 -2.571 1.00 0.00 N ATOM 1211 CA GLU A 78 7.554 9.794 -2.416 1.00 0.00 C ATOM 1212 C GLU A 78 7.901 10.976 -1.515 1.00 0.00 C ATOM 1213 O GLU A 78 8.533 10.809 -0.472 1.00 0.00 O ATOM 1214 CB GLU A 78 8.208 9.965 -3.787 1.00 0.00 C ATOM 1215 CG GLU A 78 7.604 9.093 -4.877 1.00 0.00 C ATOM 1216 CD GLU A 78 7.905 9.612 -6.269 1.00 0.00 C ATOM 1217 OE1 GLU A 78 7.699 10.820 -6.511 1.00 0.00 O ATOM 1218 OE2 GLU A 78 8.345 8.810 -7.119 1.00 0.00 O ATOM 0 H GLU A 78 5.873 8.679 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 78 7.946 8.903 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.129 11.010 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.271 9.737 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.989 8.078 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.524 9.039 -4.738 1.00 0.00 H new