USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 646 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 14 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0706 USER MOD Single : A 31 GLN : amide:sc= -2.64! K(o=-2.6!,f=0) USER MOD Single : A 37 SER OG : rot -3:sc= 0.676! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.474 K(o=-0.47,f=-1.4) USER MOD Single : A 55 THR OG1 : rot -50:sc= 1.05 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -52:sc= 0.115 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -48:sc= 0.492 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -13.8! C(o=-14!,f=-16!) USER MOD Single : A 79 THR OG1 : rot 96:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.792 -0.253 -0.614 1.00 0.00 N ATOM 100 CA GLY A 10 14.421 -0.327 0.692 1.00 0.00 C ATOM 101 C GLY A 10 14.189 0.922 1.519 1.00 0.00 C ATOM 102 O GLY A 10 13.984 0.844 2.731 1.00 0.00 O ATOM 0 HA2 GLY A 10 14.034 -1.192 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.493 -0.483 0.567 1.00 0.00 H new ATOM 106 N LEU A 11 14.221 2.078 0.864 1.00 0.00 N ATOM 107 CA LEU A 11 14.014 3.350 1.547 1.00 0.00 C ATOM 108 C LEU A 11 12.548 3.533 1.925 1.00 0.00 C ATOM 109 O LEU A 11 12.163 4.561 2.483 1.00 0.00 O ATOM 110 CB LEU A 11 14.472 4.508 0.659 1.00 0.00 C ATOM 111 CG LEU A 11 13.500 4.936 -0.441 1.00 0.00 C ATOM 112 CD1 LEU A 11 12.930 3.718 -1.153 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.381 5.789 0.138 1.00 0.00 C ATOM 0 H LEU A 11 14.388 2.160 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 11 14.607 3.344 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.672 5.370 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.417 4.230 0.193 1.00 0.00 H new ATOM 0 HG LEU A 11 14.047 5.535 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.240 4.042 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.742 3.146 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.399 3.093 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.699 6.084 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.836 5.215 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.805 6.680 0.601 1.00 0.00 H new ATOM 125 N LEU A 12 11.734 2.529 1.619 1.00 0.00 N ATOM 126 CA LEU A 12 10.309 2.577 1.929 1.00 0.00 C ATOM 127 C LEU A 12 10.077 2.507 3.435 1.00 0.00 C ATOM 128 O LEU A 12 9.336 3.313 3.998 1.00 0.00 O ATOM 129 CB LEU A 12 9.577 1.428 1.234 1.00 0.00 C ATOM 130 CG LEU A 12 9.640 1.417 -0.294 1.00 0.00 C ATOM 131 CD1 LEU A 12 9.190 0.071 -0.838 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.789 2.539 -0.870 1.00 0.00 C ATOM 0 H LEU A 12 12.036 1.672 1.156 1.00 0.00 H new ATOM 0 HA LEU A 12 9.914 3.525 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.988 0.487 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.530 1.457 1.534 1.00 0.00 H new ATOM 0 HG LEU A 12 10.674 1.580 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.242 0.083 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.841 -0.713 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.164 -0.123 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.845 2.516 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.753 2.407 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.158 3.498 -0.507 1.00 0.00 H new ATOM 144 N VAL A 13 10.716 1.538 4.083 1.00 0.00 N ATOM 145 CA VAL A 13 10.582 1.364 5.524 1.00 0.00 C ATOM 146 C VAL A 13 11.161 2.556 6.278 1.00 0.00 C ATOM 147 O VAL A 13 10.780 2.829 7.416 1.00 0.00 O ATOM 148 CB VAL A 13 11.283 0.079 6.002 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.489 -1.150 5.585 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.704 0.015 5.462 1.00 0.00 C ATOM 0 H VAL A 13 11.332 0.861 3.632 1.00 0.00 H new ATOM 0 HA VAL A 13 9.515 1.287 5.735 1.00 0.00 H new ATOM 0 HB VAL A 13 11.333 0.097 7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.000 -2.048 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.493 -1.106 6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.404 -1.177 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.185 -0.900 5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.680 0.020 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.267 0.878 5.817 1.00 0.00 H new ATOM 160 N HIS A 14 12.084 3.264 5.634 1.00 0.00 N ATOM 161 CA HIS A 14 12.715 4.430 6.244 1.00 0.00 C ATOM 162 C HIS A 14 11.841 5.669 6.079 1.00 0.00 C ATOM 163 O HIS A 14 11.643 6.432 7.025 1.00 0.00 O ATOM 164 CB HIS A 14 14.090 4.674 5.621 1.00 0.00 C ATOM 165 CG HIS A 14 15.157 3.766 6.150 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.440 2.535 5.597 1.00 0.00 N ATOM 167 CD2 HIS A 14 16.014 3.916 7.187 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.423 1.966 6.272 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.789 2.784 7.242 1.00 0.00 N ATOM 0 H HIS A 14 12.411 3.051 4.692 1.00 0.00 H new ATOM 0 HA HIS A 14 12.836 4.233 7.309 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.018 4.546 4.541 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.383 5.708 5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.077 4.768 7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.854 0.997 6.066 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.528 2.604 7.922 1.00 0.00 H new ATOM 178 N LYS A 15 11.322 5.865 4.872 1.00 0.00 N ATOM 179 CA LYS A 15 10.469 7.012 4.583 1.00 0.00 C ATOM 180 C LYS A 15 9.035 6.751 5.035 1.00 0.00 C ATOM 181 O LYS A 15 8.479 5.684 4.781 1.00 0.00 O ATOM 182 CB LYS A 15 10.493 7.326 3.085 1.00 0.00 C ATOM 183 CG LYS A 15 9.483 8.381 2.669 1.00 0.00 C ATOM 184 CD LYS A 15 9.060 8.207 1.220 1.00 0.00 C ATOM 185 CE LYS A 15 8.111 9.312 0.780 1.00 0.00 C ATOM 186 NZ LYS A 15 8.841 10.555 0.409 1.00 0.00 N ATOM 0 H LYS A 15 11.477 5.244 4.078 1.00 0.00 H new ATOM 0 HA LYS A 15 10.855 7.869 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.492 7.663 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.300 6.410 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.607 8.322 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.914 9.373 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.942 8.207 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.576 7.239 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.523 8.968 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.409 9.530 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.159 11.283 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.382 10.898 1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.493 10.354 -0.376 1.00 0.00 H new ATOM 200 N ALA A 16 8.443 7.735 5.705 1.00 0.00 N ATOM 201 CA ALA A 16 7.074 7.613 6.189 1.00 0.00 C ATOM 202 C ALA A 16 6.107 7.345 5.040 1.00 0.00 C ATOM 203 O ALA A 16 6.181 7.985 3.991 1.00 0.00 O ATOM 204 CB ALA A 16 6.666 8.871 6.941 1.00 0.00 C ATOM 0 H ALA A 16 8.890 8.625 5.925 1.00 0.00 H new ATOM 0 HA ALA A 16 7.031 6.764 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.641 8.766 7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.332 9.019 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.732 9.731 6.274 1.00 0.00 H new ATOM 210 N VAL A 17 5.202 6.393 5.245 1.00 0.00 N ATOM 211 CA VAL A 17 4.220 6.040 4.226 1.00 0.00 C ATOM 212 C VAL A 17 3.293 7.213 3.927 1.00 0.00 C ATOM 213 O VAL A 17 2.846 7.390 2.794 1.00 0.00 O ATOM 214 CB VAL A 17 3.374 4.828 4.659 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.373 4.461 3.573 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.270 3.645 4.991 1.00 0.00 C ATOM 0 H VAL A 17 5.128 5.853 6.107 1.00 0.00 H new ATOM 0 HA VAL A 17 4.776 5.782 3.325 1.00 0.00 H new ATOM 0 HB VAL A 17 2.818 5.097 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.784 3.603 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.711 5.307 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.906 4.210 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.656 2.797 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.854 3.373 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.943 3.915 5.804 1.00 0.00 H new ATOM 226 N ASP A 18 3.009 8.011 4.950 1.00 0.00 N ATOM 227 CA ASP A 18 2.136 9.169 4.797 1.00 0.00 C ATOM 228 C ASP A 18 2.754 10.194 3.851 1.00 0.00 C ATOM 229 O ASP A 18 2.124 11.193 3.503 1.00 0.00 O ATOM 230 CB ASP A 18 1.862 9.812 6.157 1.00 0.00 C ATOM 231 CG ASP A 18 2.980 10.736 6.597 1.00 0.00 C ATOM 232 OD1 ASP A 18 4.142 10.281 6.641 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.694 11.914 6.897 1.00 0.00 O ATOM 0 H ASP A 18 3.371 7.877 5.894 1.00 0.00 H new ATOM 0 HA ASP A 18 1.193 8.828 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.929 10.373 6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.726 9.030 6.904 1.00 0.00 H new ATOM 238 N LYS A 19 3.991 9.941 3.439 1.00 0.00 N ATOM 239 CA LYS A 19 4.696 10.840 2.533 1.00 0.00 C ATOM 240 C LYS A 19 4.938 10.173 1.183 1.00 0.00 C ATOM 241 O LYS A 19 5.502 10.781 0.273 1.00 0.00 O ATOM 242 CB LYS A 19 6.029 11.273 3.147 1.00 0.00 C ATOM 243 CG LYS A 19 5.941 12.561 3.948 1.00 0.00 C ATOM 244 CD LYS A 19 5.337 12.323 5.322 1.00 0.00 C ATOM 245 CE LYS A 19 5.575 13.506 6.248 1.00 0.00 C ATOM 246 NZ LYS A 19 4.808 14.708 5.820 1.00 0.00 N ATOM 0 H LYS A 19 4.527 9.119 3.718 1.00 0.00 H new ATOM 0 HA LYS A 19 4.072 11.720 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.397 10.477 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.762 11.400 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.936 12.992 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.337 13.288 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.266 12.146 5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.770 11.424 5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.288 13.235 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.639 13.742 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.997 15.492 6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.099 14.982 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.791 14.491 5.824 1.00 0.00 H new ATOM 260 N TRP A 20 4.508 8.923 1.061 1.00 0.00 N ATOM 261 CA TRP A 20 4.678 8.174 -0.179 1.00 0.00 C ATOM 262 C TRP A 20 3.853 8.791 -1.304 1.00 0.00 C ATOM 263 O TRP A 20 2.937 9.576 -1.058 1.00 0.00 O ATOM 264 CB TRP A 20 4.275 6.713 0.023 1.00 0.00 C ATOM 265 CG TRP A 20 5.213 5.956 0.915 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.242 6.473 1.648 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.208 4.547 1.164 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.878 5.469 2.339 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.262 4.278 2.060 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.415 3.485 0.720 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.541 2.993 2.516 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.693 2.210 1.174 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.748 1.973 2.065 1.00 0.00 C ATOM 0 H TRP A 20 4.039 8.406 1.805 1.00 0.00 H new ATOM 0 HA TRP A 20 5.731 8.217 -0.459 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.272 6.676 0.447 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.229 6.219 -0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.516 7.517 1.680 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.679 5.591 2.959 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.599 3.658 0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.355 2.807 3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.087 1.382 0.836 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.939 0.965 2.403 1.00 0.00 H new ATOM 284 N THR A 21 4.183 8.430 -2.540 1.00 0.00 N ATOM 285 CA THR A 21 3.473 8.948 -3.703 1.00 0.00 C ATOM 286 C THR A 21 2.699 7.843 -4.412 1.00 0.00 C ATOM 287 O THR A 21 3.024 6.662 -4.285 1.00 0.00 O ATOM 288 CB THR A 21 4.441 9.605 -4.705 1.00 0.00 C ATOM 289 OG1 THR A 21 5.586 8.768 -4.901 1.00 0.00 O ATOM 290 CG2 THR A 21 4.886 10.973 -4.211 1.00 0.00 C ATOM 0 H THR A 21 4.938 7.781 -2.762 1.00 0.00 H new ATOM 0 HA THR A 21 2.774 9.700 -3.337 1.00 0.00 H new ATOM 0 HB THR A 21 3.917 9.731 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.196 9.192 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.569 11.417 -4.935 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.015 11.617 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.393 10.866 -3.252 1.00 0.00 H new ATOM 298 N THR A 22 1.671 8.233 -5.160 1.00 0.00 N ATOM 299 CA THR A 22 0.850 7.276 -5.889 1.00 0.00 C ATOM 300 C THR A 22 1.698 6.145 -6.460 1.00 0.00 C ATOM 301 O THR A 22 1.259 4.997 -6.519 1.00 0.00 O ATOM 302 CB THR A 22 0.081 7.955 -7.038 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.185 9.323 -6.708 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.228 7.232 -7.316 1.00 0.00 C ATOM 0 H THR A 22 1.388 9.206 -5.276 1.00 0.00 H new ATOM 0 HA THR A 22 0.135 6.866 -5.175 1.00 0.00 H new ATOM 0 HB THR A 22 0.699 7.911 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.673 9.748 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.753 7.730 -8.131 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.021 6.199 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.850 7.248 -6.421 1.00 0.00 H new ATOM 312 N GLU A 23 2.916 6.478 -6.877 1.00 0.00 N ATOM 313 CA GLU A 23 3.825 5.488 -7.443 1.00 0.00 C ATOM 314 C GLU A 23 4.358 4.556 -6.358 1.00 0.00 C ATOM 315 O GLU A 23 4.165 3.342 -6.419 1.00 0.00 O ATOM 316 CB GLU A 23 4.990 6.181 -8.153 1.00 0.00 C ATOM 317 CG GLU A 23 5.445 5.467 -9.415 1.00 0.00 C ATOM 318 CD GLU A 23 4.752 5.986 -10.660 1.00 0.00 C ATOM 319 OE1 GLU A 23 3.683 5.444 -11.012 1.00 0.00 O ATOM 320 OE2 GLU A 23 5.278 6.932 -11.281 1.00 0.00 O ATOM 0 H GLU A 23 3.295 7.424 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 23 3.269 4.893 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.695 7.199 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.832 6.256 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.523 5.586 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.251 4.399 -9.314 1.00 0.00 H new ATOM 327 N GLU A 24 5.030 5.134 -5.367 1.00 0.00 N ATOM 328 CA GLU A 24 5.592 4.355 -4.270 1.00 0.00 C ATOM 329 C GLU A 24 4.531 3.454 -3.644 1.00 0.00 C ATOM 330 O GLU A 24 4.776 2.276 -3.383 1.00 0.00 O ATOM 331 CB GLU A 24 6.182 5.282 -3.206 1.00 0.00 C ATOM 332 CG GLU A 24 7.398 6.059 -3.682 1.00 0.00 C ATOM 333 CD GLU A 24 8.268 5.257 -4.631 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.528 4.072 -4.339 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.688 5.817 -5.665 1.00 0.00 O ATOM 0 H GLU A 24 5.198 6.138 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 24 6.386 3.727 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.415 5.986 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.458 4.690 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.070 6.972 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.991 6.362 -2.819 1.00 0.00 H new ATOM 342 N VAL A 25 3.351 4.017 -3.403 1.00 0.00 N ATOM 343 CA VAL A 25 2.253 3.266 -2.808 1.00 0.00 C ATOM 344 C VAL A 25 2.049 1.933 -3.520 1.00 0.00 C ATOM 345 O VAL A 25 1.979 0.882 -2.884 1.00 0.00 O ATOM 346 CB VAL A 25 0.937 4.066 -2.852 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.206 3.247 -2.272 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.091 5.384 -2.109 1.00 0.00 C ATOM 0 H VAL A 25 3.132 4.991 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 25 2.523 3.081 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 25 0.701 4.287 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.127 3.829 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.329 2.332 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.018 2.992 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.152 5.937 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.351 5.187 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.880 5.974 -2.575 1.00 0.00 H new ATOM 358 N VAL A 26 1.954 1.985 -4.845 1.00 0.00 N ATOM 359 CA VAL A 26 1.759 0.782 -5.645 1.00 0.00 C ATOM 360 C VAL A 26 3.003 -0.100 -5.623 1.00 0.00 C ATOM 361 O VAL A 26 2.906 -1.327 -5.575 1.00 0.00 O ATOM 362 CB VAL A 26 1.416 1.129 -7.106 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.268 -0.138 -7.935 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.149 1.969 -7.170 1.00 0.00 C ATOM 0 H VAL A 26 2.009 2.847 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 26 0.924 0.239 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 26 2.235 1.715 -7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.026 0.127 -8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.203 -0.697 -7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.469 -0.753 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.079 2.205 -8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.680 1.411 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.297 2.894 -6.612 1.00 0.00 H new ATOM 374 N LEU A 27 4.170 0.532 -5.657 1.00 0.00 N ATOM 375 CA LEU A 27 5.435 -0.195 -5.639 1.00 0.00 C ATOM 376 C LEU A 27 5.542 -1.072 -4.396 1.00 0.00 C ATOM 377 O LEU A 27 5.848 -2.260 -4.487 1.00 0.00 O ATOM 378 CB LEU A 27 6.609 0.784 -5.690 1.00 0.00 C ATOM 379 CG LEU A 27 7.124 1.143 -7.084 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.317 2.081 -6.987 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.494 -0.115 -7.856 1.00 0.00 C ATOM 0 H LEU A 27 4.267 1.547 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 27 5.468 -0.839 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.311 1.704 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.434 0.360 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 27 6.328 1.656 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.670 2.326 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.020 2.996 -6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.117 1.595 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.859 0.160 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.274 -0.655 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.615 -0.752 -7.957 1.00 0.00 H new ATOM 393 N TRP A 28 5.285 -0.478 -3.236 1.00 0.00 N ATOM 394 CA TRP A 28 5.351 -1.206 -1.974 1.00 0.00 C ATOM 395 C TRP A 28 4.420 -2.413 -1.993 1.00 0.00 C ATOM 396 O TRP A 28 4.775 -3.491 -1.513 1.00 0.00 O ATOM 397 CB TRP A 28 4.986 -0.283 -0.810 1.00 0.00 C ATOM 398 CG TRP A 28 4.592 -1.022 0.433 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.430 -1.527 1.386 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.262 -1.341 0.856 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.701 -2.141 2.376 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.369 -2.040 2.075 1.00 0.00 C ATOM 403 CE3 TRP A 28 1.992 -1.103 0.325 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.253 -2.502 2.767 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.885 -1.562 1.013 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.021 -2.254 2.224 1.00 0.00 C ATOM 0 H TRP A 28 5.029 0.505 -3.143 1.00 0.00 H new ATOM 0 HA TRP A 28 6.373 -1.561 -1.841 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.836 0.362 -0.587 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.165 0.366 -1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.507 -1.454 1.365 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.089 -2.598 3.201 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.877 -0.570 -0.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.355 -3.037 3.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.101 -1.384 0.611 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.136 -2.598 2.739 1.00 0.00 H new ATOM 417 N LEU A 29 3.228 -2.227 -2.550 1.00 0.00 N ATOM 418 CA LEU A 29 2.246 -3.303 -2.632 1.00 0.00 C ATOM 419 C LEU A 29 2.644 -4.325 -3.692 1.00 0.00 C ATOM 420 O LEU A 29 2.281 -5.497 -3.604 1.00 0.00 O ATOM 421 CB LEU A 29 0.863 -2.733 -2.951 1.00 0.00 C ATOM 422 CG LEU A 29 -0.214 -3.753 -3.322 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.798 -4.391 -2.071 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.310 -3.096 -4.148 1.00 0.00 C ATOM 0 H LEU A 29 2.918 -1.342 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 29 2.212 -3.805 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.517 -2.167 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.965 -2.026 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 29 0.247 -4.536 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.563 -5.114 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.007 -4.897 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.243 -3.619 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.068 -3.837 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.768 -2.292 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.881 -2.687 -5.063 1.00 0.00 H new ATOM 436 N GLU A 30 3.395 -3.872 -4.691 1.00 0.00 N ATOM 437 CA GLU A 30 3.844 -4.748 -5.767 1.00 0.00 C ATOM 438 C GLU A 30 5.001 -5.628 -5.304 1.00 0.00 C ATOM 439 O GLU A 30 5.611 -6.339 -6.103 1.00 0.00 O ATOM 440 CB GLU A 30 4.270 -3.923 -6.982 1.00 0.00 C ATOM 441 CG GLU A 30 3.139 -3.650 -7.960 1.00 0.00 C ATOM 442 CD GLU A 30 3.635 -3.404 -9.372 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.567 -4.113 -9.805 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.090 -2.503 -10.043 1.00 0.00 O ATOM 0 H GLU A 30 3.705 -2.904 -4.778 1.00 0.00 H new ATOM 0 HA GLU A 30 3.011 -5.392 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.680 -2.973 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.071 -4.447 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.453 -4.497 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.573 -2.782 -7.622 1.00 0.00 H new ATOM 451 N GLN A 31 5.298 -5.574 -4.010 1.00 0.00 N ATOM 452 CA GLN A 31 6.383 -6.365 -3.441 1.00 0.00 C ATOM 453 C GLN A 31 5.841 -7.440 -2.506 1.00 0.00 C ATOM 454 O GLN A 31 6.509 -8.439 -2.237 1.00 0.00 O ATOM 455 CB GLN A 31 7.360 -5.461 -2.686 1.00 0.00 C ATOM 456 CG GLN A 31 8.305 -4.692 -3.596 1.00 0.00 C ATOM 457 CD GLN A 31 9.192 -3.728 -2.835 1.00 0.00 C ATOM 458 OE1 GLN A 31 10.335 -4.046 -2.504 1.00 0.00 O ATOM 459 NE2 GLN A 31 8.670 -2.540 -2.552 1.00 0.00 N ATOM 0 H GLN A 31 4.803 -4.991 -3.336 1.00 0.00 H new ATOM 0 HA GLN A 31 6.910 -6.854 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.793 -4.752 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.947 -6.069 -1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.929 -5.397 -4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.723 -4.139 -4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.719 -2.318 -2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.220 -1.850 -2.041 1.00 0.00 H new ATOM 468 N LEU A 32 4.625 -7.230 -2.013 1.00 0.00 N ATOM 469 CA LEU A 32 3.992 -8.182 -1.106 1.00 0.00 C ATOM 470 C LEU A 32 3.557 -9.438 -1.853 1.00 0.00 C ATOM 471 O LEU A 32 3.466 -10.519 -1.272 1.00 0.00 O ATOM 472 CB LEU A 32 2.785 -7.538 -0.422 1.00 0.00 C ATOM 473 CG LEU A 32 2.929 -6.061 -0.056 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.699 -5.574 0.695 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.186 -5.836 0.773 1.00 0.00 C ATOM 0 H LEU A 32 4.058 -6.409 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 32 4.722 -8.467 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.921 -7.646 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.567 -8.097 0.488 1.00 0.00 H new ATOM 0 HG LEU A 32 3.018 -5.486 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.820 -4.520 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.817 -5.698 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.578 -6.154 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.272 -4.779 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.127 -6.423 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.060 -6.145 0.200 1.00 0.00 H new ATOM 487 N GLY A 33 3.292 -9.290 -3.148 1.00 0.00 N ATOM 488 CA GLY A 33 2.872 -10.421 -3.954 1.00 0.00 C ATOM 489 C GLY A 33 2.558 -10.029 -5.384 1.00 0.00 C ATOM 490 O GLY A 33 2.392 -8.853 -5.706 1.00 0.00 O ATOM 0 H GLY A 33 3.361 -8.406 -3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.658 -11.176 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.990 -10.877 -3.504 1.00 0.00 H new ATOM 494 N PRO A 34 2.475 -11.031 -6.272 1.00 0.00 N ATOM 495 CA PRO A 34 2.181 -10.810 -7.690 1.00 0.00 C ATOM 496 C PRO A 34 0.743 -10.357 -7.920 1.00 0.00 C ATOM 497 O PRO A 34 0.440 -9.705 -8.919 1.00 0.00 O ATOM 498 CB PRO A 34 2.415 -12.185 -8.320 1.00 0.00 C ATOM 499 CG PRO A 34 2.199 -13.153 -7.208 1.00 0.00 C ATOM 500 CD PRO A 34 2.663 -12.458 -5.958 1.00 0.00 C ATOM 0 HA PRO A 34 2.800 -10.020 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.723 -12.366 -9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.423 -12.268 -8.727 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.148 -13.432 -7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.761 -14.072 -7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.077 -12.759 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.705 -12.686 -5.734 1.00 0.00 H new ATOM 508 N TRP A 35 -0.138 -10.707 -6.990 1.00 0.00 N ATOM 509 CA TRP A 35 -1.545 -10.336 -7.091 1.00 0.00 C ATOM 510 C TRP A 35 -1.720 -8.826 -6.965 1.00 0.00 C ATOM 511 O TRP A 35 -2.759 -8.280 -7.334 1.00 0.00 O ATOM 512 CB TRP A 35 -2.361 -11.048 -6.011 1.00 0.00 C ATOM 513 CG TRP A 35 -1.743 -10.965 -4.648 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.153 -11.981 -3.953 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.657 -9.803 -3.816 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.704 -11.521 -2.738 1.00 0.00 N ATOM 517 CE2 TRP A 35 -1.001 -10.188 -2.630 1.00 0.00 C ATOM 518 CE3 TRP A 35 -2.068 -8.475 -3.957 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.749 -9.292 -1.595 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.817 -7.587 -2.928 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.163 -7.998 -1.760 1.00 0.00 C ATOM 0 H TRP A 35 0.097 -11.247 -6.157 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.907 -10.645 -8.072 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.360 -10.614 -5.976 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.478 -12.096 -6.286 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.054 -12.997 -4.306 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.227 -12.081 -2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.573 -8.148 -4.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.245 -9.607 -0.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.131 -6.558 -3.027 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.982 -7.280 -0.974 1.00 0.00 H new ATOM 532 N ALA A 36 -0.697 -8.158 -6.442 1.00 0.00 N ATOM 533 CA ALA A 36 -0.738 -6.711 -6.270 1.00 0.00 C ATOM 534 C ALA A 36 -1.005 -6.008 -7.596 1.00 0.00 C ATOM 535 O ALA A 36 -1.613 -4.938 -7.631 1.00 0.00 O ATOM 536 CB ALA A 36 0.565 -6.215 -5.660 1.00 0.00 C ATOM 0 H ALA A 36 0.170 -8.596 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.558 -6.474 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.521 -5.133 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.714 -6.685 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.396 -6.472 -6.318 1.00 0.00 H new ATOM 542 N SER A 37 -0.545 -6.615 -8.686 1.00 0.00 N ATOM 543 CA SER A 37 -0.731 -6.044 -10.015 1.00 0.00 C ATOM 544 C SER A 37 -2.200 -6.085 -10.423 1.00 0.00 C ATOM 545 O SER A 37 -2.593 -5.495 -11.431 1.00 0.00 O ATOM 546 CB SER A 37 0.117 -6.799 -11.040 1.00 0.00 C ATOM 547 OG SER A 37 -0.303 -6.509 -12.362 1.00 0.00 O ATOM 0 H SER A 37 -0.041 -7.502 -8.675 1.00 0.00 H new ATOM 0 HA SER A 37 -0.410 -5.003 -9.985 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.166 -6.527 -10.920 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.043 -7.871 -10.859 1.00 0.00 H new ATOM 0 HG SER A 37 -1.082 -5.915 -12.335 1.00 0.00 H new ATOM 553 N LEU A 38 -3.008 -6.785 -9.634 1.00 0.00 N ATOM 554 CA LEU A 38 -4.435 -6.904 -9.912 1.00 0.00 C ATOM 555 C LEU A 38 -5.212 -5.759 -9.271 1.00 0.00 C ATOM 556 O LEU A 38 -6.395 -5.564 -9.553 1.00 0.00 O ATOM 557 CB LEU A 38 -4.964 -8.245 -9.400 1.00 0.00 C ATOM 558 CG LEU A 38 -4.303 -9.495 -9.982 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.676 -10.724 -9.169 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.699 -9.677 -11.440 1.00 0.00 C ATOM 0 H LEU A 38 -2.699 -7.279 -8.797 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.575 -6.854 -10.992 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.848 -8.268 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.033 -8.294 -9.607 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.222 -9.367 -9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.196 -11.604 -9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.342 -10.594 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.758 -10.856 -9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.220 -10.571 -11.838 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.781 -9.783 -11.513 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.380 -8.808 -12.015 1.00 0.00 H new ATOM 572 N TYR A 39 -4.539 -5.004 -8.410 1.00 0.00 N ATOM 573 CA TYR A 39 -5.167 -3.878 -7.728 1.00 0.00 C ATOM 574 C TYR A 39 -4.460 -2.571 -8.073 1.00 0.00 C ATOM 575 O TYR A 39 -5.045 -1.492 -7.976 1.00 0.00 O ATOM 576 CB TYR A 39 -5.149 -4.097 -6.215 1.00 0.00 C ATOM 577 CG TYR A 39 -5.742 -5.420 -5.787 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.037 -6.606 -5.953 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.008 -5.486 -5.219 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.575 -7.818 -5.564 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.554 -6.693 -4.826 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.833 -7.856 -5.001 1.00 0.00 C ATOM 583 OH TYR A 39 -7.373 -9.060 -4.613 1.00 0.00 O ATOM 0 H TYR A 39 -3.559 -5.151 -8.168 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.201 -3.811 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.120 -4.038 -5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.699 -3.289 -5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.051 -6.580 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.576 -4.578 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.013 -8.730 -5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.539 -6.726 -4.385 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.265 -8.912 -4.234 1.00 0.00 H new ATOM 593 N ARG A 40 -3.198 -2.676 -8.475 1.00 0.00 N ATOM 594 CA ARG A 40 -2.410 -1.503 -8.834 1.00 0.00 C ATOM 595 C ARG A 40 -3.261 -0.486 -9.588 1.00 0.00 C ATOM 596 O ARG A 40 -3.254 0.703 -9.270 1.00 0.00 O ATOM 597 CB ARG A 40 -1.208 -1.911 -9.688 1.00 0.00 C ATOM 598 CG ARG A 40 -1.575 -2.298 -11.111 1.00 0.00 C ATOM 599 CD ARG A 40 -0.389 -2.902 -11.848 1.00 0.00 C ATOM 600 NE ARG A 40 -0.447 -2.642 -13.284 1.00 0.00 N ATOM 601 CZ ARG A 40 0.585 -2.810 -14.103 1.00 0.00 C ATOM 602 NH1 ARG A 40 1.748 -3.236 -13.631 1.00 0.00 N ATOM 603 NH2 ARG A 40 0.454 -2.553 -15.398 1.00 0.00 N ATOM 0 H ARG A 40 -2.699 -3.562 -8.560 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.053 -1.041 -7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.497 -1.086 -9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.702 -2.751 -9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.397 -3.014 -11.094 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.929 -1.418 -11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.536 -2.493 -11.443 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.364 -3.978 -11.675 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.328 -2.314 -13.679 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.852 -3.436 -12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.539 -3.364 -14.263 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.440 -2.226 -15.765 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.247 -2.682 -16.026 1.00 0.00 H new ATOM 617 N ASP A 41 -3.993 -0.962 -10.590 1.00 0.00 N ATOM 618 CA ASP A 41 -4.850 -0.095 -11.390 1.00 0.00 C ATOM 619 C ASP A 41 -5.791 0.710 -10.499 1.00 0.00 C ATOM 620 O ASP A 41 -6.039 1.890 -10.748 1.00 0.00 O ATOM 621 CB ASP A 41 -5.658 -0.923 -12.390 1.00 0.00 C ATOM 622 CG ASP A 41 -4.826 -2.001 -13.055 1.00 0.00 C ATOM 623 OD1 ASP A 41 -4.685 -3.091 -12.463 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.315 -1.754 -14.168 1.00 0.00 O ATOM 0 H ASP A 41 -4.010 -1.943 -10.867 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.213 0.600 -11.937 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.502 -1.384 -11.877 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.071 -0.264 -13.154 1.00 0.00 H new ATOM 629 N ARG A 42 -6.313 0.064 -9.462 1.00 0.00 N ATOM 630 CA ARG A 42 -7.229 0.719 -8.536 1.00 0.00 C ATOM 631 C ARG A 42 -6.507 1.792 -7.725 1.00 0.00 C ATOM 632 O ARG A 42 -7.078 2.838 -7.413 1.00 0.00 O ATOM 633 CB ARG A 42 -7.858 -0.309 -7.594 1.00 0.00 C ATOM 634 CG ARG A 42 -8.357 -1.558 -8.302 1.00 0.00 C ATOM 635 CD ARG A 42 -9.545 -2.172 -7.579 1.00 0.00 C ATOM 636 NE ARG A 42 -10.811 -1.583 -8.009 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.336 -1.771 -9.215 1.00 0.00 C ATOM 638 NH1 ARG A 42 -10.709 -2.528 -10.104 1.00 0.00 N ATOM 639 NH2 ARG A 42 -12.492 -1.202 -9.532 1.00 0.00 N ATOM 0 H ARG A 42 -6.117 -0.913 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.016 1.196 -9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.124 -0.597 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.690 0.156 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.641 -1.309 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.551 -2.289 -8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.565 -3.246 -7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.427 -2.033 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.319 -0.996 -7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.821 -2.968 -9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.115 -2.670 -11.029 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.978 -0.620 -8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.895 -1.347 -10.458 1.00 0.00 H new ATOM 653 N PHE A 43 -5.250 1.526 -7.387 1.00 0.00 N ATOM 654 CA PHE A 43 -4.451 2.467 -6.612 1.00 0.00 C ATOM 655 C PHE A 43 -4.150 3.723 -7.425 1.00 0.00 C ATOM 656 O PHE A 43 -4.399 4.843 -6.974 1.00 0.00 O ATOM 657 CB PHE A 43 -3.143 1.811 -6.164 1.00 0.00 C ATOM 658 CG PHE A 43 -3.319 0.831 -5.040 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.286 -0.159 -5.110 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.517 0.899 -3.912 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.450 -1.061 -4.077 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.676 -0.001 -2.875 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.643 -0.983 -2.958 1.00 0.00 C ATOM 0 H PHE A 43 -4.763 0.666 -7.638 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.026 2.754 -5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.692 1.299 -7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.444 2.587 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.919 -0.226 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.758 1.665 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.209 -1.827 -4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.045 0.064 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.768 -1.689 -2.150 1.00 0.00 H new ATOM 673 N LEU A 44 -3.613 3.530 -8.624 1.00 0.00 N ATOM 674 CA LEU A 44 -3.278 4.647 -9.501 1.00 0.00 C ATOM 675 C LEU A 44 -4.526 5.441 -9.874 1.00 0.00 C ATOM 676 O LEU A 44 -4.592 6.650 -9.656 1.00 0.00 O ATOM 677 CB LEU A 44 -2.587 4.137 -10.767 1.00 0.00 C ATOM 678 CG LEU A 44 -1.137 3.680 -10.602 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.324 4.737 -9.871 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.077 2.351 -9.862 1.00 0.00 C ATOM 0 H LEU A 44 -3.400 2.611 -9.012 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.598 5.307 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.167 3.303 -11.163 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.615 4.928 -11.516 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.705 3.540 -11.593 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.705 4.394 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.339 5.666 -10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.755 4.909 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.038 2.041 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.527 2.463 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.624 1.595 -10.426 1.00 0.00 H new ATOM 692 N SER A 45 -5.514 4.751 -10.435 1.00 0.00 N ATOM 693 CA SER A 45 -6.760 5.392 -10.840 1.00 0.00 C ATOM 694 C SER A 45 -7.348 6.208 -9.693 1.00 0.00 C ATOM 695 O SER A 45 -7.706 7.372 -9.865 1.00 0.00 O ATOM 696 CB SER A 45 -7.770 4.342 -11.305 1.00 0.00 C ATOM 697 OG SER A 45 -8.692 4.896 -12.228 1.00 0.00 O ATOM 0 H SER A 45 -5.476 3.749 -10.619 1.00 0.00 H new ATOM 0 HA SER A 45 -6.541 6.067 -11.668 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.244 3.507 -11.768 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.307 3.943 -10.444 1.00 0.00 H new ATOM 0 HG SER A 45 -9.326 4.205 -12.512 1.00 0.00 H new ATOM 703 N GLU A 46 -7.445 5.586 -8.521 1.00 0.00 N ATOM 704 CA GLU A 46 -7.991 6.254 -7.346 1.00 0.00 C ATOM 705 C GLU A 46 -6.974 7.222 -6.749 1.00 0.00 C ATOM 706 O GLU A 46 -7.196 7.790 -5.679 1.00 0.00 O ATOM 707 CB GLU A 46 -8.409 5.224 -6.295 1.00 0.00 C ATOM 708 CG GLU A 46 -9.617 4.395 -6.701 1.00 0.00 C ATOM 709 CD GLU A 46 -10.836 5.248 -6.997 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.523 5.655 -6.038 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.101 5.506 -8.190 1.00 0.00 O ATOM 0 H GLU A 46 -7.153 4.622 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.868 6.822 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.570 4.556 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.630 5.740 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.368 3.805 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.855 3.692 -5.903 1.00 0.00 H new ATOM 718 N ARG A 47 -5.859 7.404 -7.447 1.00 0.00 N ATOM 719 CA ARG A 47 -4.806 8.302 -6.986 1.00 0.00 C ATOM 720 C ARG A 47 -4.469 8.037 -5.521 1.00 0.00 C ATOM 721 O ARG A 47 -4.115 8.953 -4.779 1.00 0.00 O ATOM 722 CB ARG A 47 -5.234 9.759 -7.166 1.00 0.00 C ATOM 723 CG ARG A 47 -5.345 10.186 -8.621 1.00 0.00 C ATOM 724 CD ARG A 47 -3.999 10.123 -9.324 1.00 0.00 C ATOM 725 NE ARG A 47 -3.949 11.000 -10.491 1.00 0.00 N ATOM 726 CZ ARG A 47 -2.820 11.471 -11.009 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.653 11.149 -10.467 1.00 0.00 N ATOM 728 NH2 ARG A 47 -2.856 12.264 -12.072 1.00 0.00 N ATOM 0 H ARG A 47 -5.660 6.942 -8.334 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.915 8.115 -7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.197 9.909 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.516 10.405 -6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.057 9.542 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.737 11.202 -8.674 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.212 10.405 -8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.799 9.097 -9.633 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.829 11.265 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.621 10.538 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.788 11.512 -10.867 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.751 12.513 -12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.988 12.625 -12.469 1.00 0.00 H new ATOM 742 N VAL A 48 -4.582 6.777 -5.112 1.00 0.00 N ATOM 743 CA VAL A 48 -4.289 6.391 -3.737 1.00 0.00 C ATOM 744 C VAL A 48 -2.836 6.685 -3.382 1.00 0.00 C ATOM 745 O VAL A 48 -1.941 5.895 -3.680 1.00 0.00 O ATOM 746 CB VAL A 48 -4.571 4.895 -3.501 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.239 4.508 -2.069 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.021 4.570 -3.828 1.00 0.00 C ATOM 0 H VAL A 48 -4.874 6.007 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.944 6.982 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.933 4.313 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.445 3.448 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.184 4.703 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.849 5.095 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.204 3.509 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.679 5.160 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.220 4.808 -4.873 1.00 0.00 H new ATOM 758 N ASN A 49 -2.608 7.827 -2.741 1.00 0.00 N ATOM 759 CA ASN A 49 -1.262 8.226 -2.345 1.00 0.00 C ATOM 760 C ASN A 49 -0.948 7.749 -0.930 1.00 0.00 C ATOM 761 O ASN A 49 -1.849 7.407 -0.165 1.00 0.00 O ATOM 762 CB ASN A 49 -1.114 9.747 -2.427 1.00 0.00 C ATOM 763 CG ASN A 49 -1.797 10.458 -1.275 1.00 0.00 C ATOM 764 OD1 ASN A 49 -3.025 10.498 -1.196 1.00 0.00 O ATOM 765 ND2 ASN A 49 -1.002 11.023 -0.374 1.00 0.00 N ATOM 0 H ASN A 49 -3.338 8.492 -2.485 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.555 7.761 -3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.055 10.006 -2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.535 10.100 -3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.404 11.515 0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.011 10.965 -0.480 1.00 0.00 H new ATOM 772 N GLY A 50 0.337 7.730 -0.589 1.00 0.00 N ATOM 773 CA GLY A 50 0.747 7.294 0.733 1.00 0.00 C ATOM 774 C GLY A 50 -0.258 7.667 1.804 1.00 0.00 C ATOM 775 O GLY A 50 -0.896 6.796 2.397 1.00 0.00 O ATOM 0 H GLY A 50 1.101 8.009 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.885 6.213 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.713 7.737 0.975 1.00 0.00 H new ATOM 779 N ARG A 51 -0.400 8.964 2.055 1.00 0.00 N ATOM 780 CA ARG A 51 -1.333 9.450 3.065 1.00 0.00 C ATOM 781 C ARG A 51 -2.657 8.696 2.989 1.00 0.00 C ATOM 782 O ARG A 51 -3.209 8.283 4.011 1.00 0.00 O ATOM 783 CB ARG A 51 -1.577 10.949 2.886 1.00 0.00 C ATOM 784 CG ARG A 51 -1.891 11.675 4.184 1.00 0.00 C ATOM 785 CD ARG A 51 -3.041 11.014 4.927 1.00 0.00 C ATOM 786 NE ARG A 51 -3.747 11.956 5.791 1.00 0.00 N ATOM 787 CZ ARG A 51 -4.594 12.875 5.340 1.00 0.00 C ATOM 788 NH1 ARG A 51 -4.838 12.975 4.040 1.00 0.00 N ATOM 789 NH2 ARG A 51 -5.198 13.696 6.189 1.00 0.00 N ATOM 0 H ARG A 51 0.119 9.698 1.573 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.891 9.276 4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.695 11.400 2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.403 11.093 2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.005 11.687 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.144 12.713 3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.740 10.588 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.658 10.188 5.527 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.581 11.906 6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.375 12.346 3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.489 13.681 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.012 13.622 7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.848 14.401 5.842 1.00 0.00 H new ATOM 803 N LEU A 52 -3.162 8.519 1.773 1.00 0.00 N ATOM 804 CA LEU A 52 -4.423 7.814 1.564 1.00 0.00 C ATOM 805 C LEU A 52 -4.314 6.360 2.010 1.00 0.00 C ATOM 806 O LEU A 52 -5.159 5.864 2.757 1.00 0.00 O ATOM 807 CB LEU A 52 -4.826 7.878 0.089 1.00 0.00 C ATOM 808 CG LEU A 52 -6.289 7.559 -0.221 1.00 0.00 C ATOM 809 CD1 LEU A 52 -6.595 6.102 0.094 1.00 0.00 C ATOM 810 CD2 LEU A 52 -7.214 8.480 0.561 1.00 0.00 C ATOM 0 H LEU A 52 -2.719 8.853 0.917 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.189 8.303 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.606 8.878 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.197 7.184 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.459 7.724 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.640 5.893 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.957 5.457 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.407 5.911 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.251 8.238 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.042 8.347 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.013 9.516 0.287 1.00 0.00 H new ATOM 822 N LEU A 53 -3.269 5.682 1.550 1.00 0.00 N ATOM 823 CA LEU A 53 -3.048 4.284 1.904 1.00 0.00 C ATOM 824 C LEU A 53 -3.182 4.075 3.410 1.00 0.00 C ATOM 825 O LEU A 53 -3.703 3.055 3.862 1.00 0.00 O ATOM 826 CB LEU A 53 -1.664 3.831 1.436 1.00 0.00 C ATOM 827 CG LEU A 53 -1.420 2.322 1.424 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.252 1.655 0.339 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.059 2.022 1.225 1.00 0.00 C ATOM 0 H LEU A 53 -2.561 6.077 0.931 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.808 3.684 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.500 4.213 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.916 4.295 2.079 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.726 1.916 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.065 0.581 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.310 1.840 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.978 2.065 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.214 0.943 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.391 2.441 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.633 2.466 2.038 1.00 0.00 H new ATOM 841 N LEU A 54 -2.709 5.049 4.180 1.00 0.00 N ATOM 842 CA LEU A 54 -2.778 4.974 5.636 1.00 0.00 C ATOM 843 C LEU A 54 -4.212 5.156 6.123 1.00 0.00 C ATOM 844 O LEU A 54 -4.731 4.335 6.881 1.00 0.00 O ATOM 845 CB LEU A 54 -1.875 6.036 6.264 1.00 0.00 C ATOM 846 CG LEU A 54 -0.391 5.680 6.367 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.413 6.879 6.848 1.00 0.00 C ATOM 848 CD2 LEU A 54 -0.191 4.493 7.298 1.00 0.00 C ATOM 0 H LEU A 54 -2.274 5.899 3.821 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.433 3.986 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.968 6.953 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.246 6.254 7.265 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.033 5.403 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.466 6.607 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.295 7.702 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.054 7.187 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.871 4.254 7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.565 4.742 8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.735 3.632 6.911 1.00 0.00 H new ATOM 860 N THR A 55 -4.849 6.236 5.682 1.00 0.00 N ATOM 861 CA THR A 55 -6.223 6.525 6.072 1.00 0.00 C ATOM 862 C THR A 55 -7.129 5.324 5.828 1.00 0.00 C ATOM 863 O THR A 55 -8.226 5.237 6.382 1.00 0.00 O ATOM 864 CB THR A 55 -6.781 7.739 5.304 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.901 7.425 3.912 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.880 8.951 5.480 1.00 0.00 C ATOM 0 H THR A 55 -4.435 6.925 5.054 1.00 0.00 H new ATOM 0 HA THR A 55 -6.207 6.754 7.138 1.00 0.00 H new ATOM 0 HB THR A 55 -7.765 7.976 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.059 7.040 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.294 9.795 4.929 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.814 9.205 6.538 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.884 8.723 5.099 1.00 0.00 H new ATOM 874 N LEU A 56 -6.664 4.398 4.996 1.00 0.00 N ATOM 875 CA LEU A 56 -7.433 3.199 4.679 1.00 0.00 C ATOM 876 C LEU A 56 -7.422 2.220 5.849 1.00 0.00 C ATOM 877 O LEU A 56 -6.429 2.104 6.567 1.00 0.00 O ATOM 878 CB LEU A 56 -6.868 2.523 3.429 1.00 0.00 C ATOM 879 CG LEU A 56 -6.990 3.313 2.125 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.098 2.712 1.051 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.438 3.350 1.659 1.00 0.00 C ATOM 0 H LEU A 56 -5.759 4.454 4.529 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.464 3.498 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.814 2.307 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.372 1.565 3.299 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.662 4.336 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.198 3.287 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.060 2.738 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.395 1.679 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.507 3.916 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.792 2.333 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.053 3.828 2.421 1.00 0.00 H new ATOM 893 N THR A 57 -8.534 1.516 6.035 1.00 0.00 N ATOM 894 CA THR A 57 -8.653 0.546 7.116 1.00 0.00 C ATOM 895 C THR A 57 -9.331 -0.732 6.636 1.00 0.00 C ATOM 896 O THR A 57 -9.969 -0.750 5.584 1.00 0.00 O ATOM 897 CB THR A 57 -9.450 1.122 8.302 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.761 1.506 7.871 1.00 0.00 O ATOM 899 CG2 THR A 57 -8.736 2.324 8.901 1.00 0.00 C ATOM 0 H THR A 57 -9.366 1.600 5.450 1.00 0.00 H new ATOM 0 HA THR A 57 -7.640 0.315 7.446 1.00 0.00 H new ATOM 0 HB THR A 57 -9.531 0.349 9.066 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.262 1.869 8.631 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.318 2.713 9.737 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.750 2.023 9.254 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.628 3.099 8.142 1.00 0.00 H new ATOM 907 N GLU A 58 -9.187 -1.801 7.414 1.00 0.00 N ATOM 908 CA GLU A 58 -9.786 -3.084 7.067 1.00 0.00 C ATOM 909 C GLU A 58 -11.124 -2.886 6.360 1.00 0.00 C ATOM 910 O GLU A 58 -11.496 -3.666 5.484 1.00 0.00 O ATOM 911 CB GLU A 58 -9.981 -3.938 8.322 1.00 0.00 C ATOM 912 CG GLU A 58 -10.021 -5.431 8.042 1.00 0.00 C ATOM 913 CD GLU A 58 -9.921 -6.263 9.305 1.00 0.00 C ATOM 914 OE1 GLU A 58 -10.896 -6.274 10.086 1.00 0.00 O ATOM 915 OE2 GLU A 58 -8.870 -6.904 9.513 1.00 0.00 O ATOM 0 H GLU A 58 -8.661 -1.803 8.288 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.108 -3.600 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.172 -3.730 9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.910 -3.644 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.948 -5.675 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.202 -5.694 7.372 1.00 0.00 H new ATOM 922 N GLU A 59 -11.843 -1.838 6.748 1.00 0.00 N ATOM 923 CA GLU A 59 -13.140 -1.538 6.153 1.00 0.00 C ATOM 924 C GLU A 59 -12.976 -0.984 4.741 1.00 0.00 C ATOM 925 O GLU A 59 -13.226 -1.680 3.757 1.00 0.00 O ATOM 926 CB GLU A 59 -13.905 -0.537 7.020 1.00 0.00 C ATOM 927 CG GLU A 59 -14.795 -1.190 8.065 1.00 0.00 C ATOM 928 CD GLU A 59 -14.996 -0.318 9.288 1.00 0.00 C ATOM 929 OE1 GLU A 59 -14.152 -0.379 10.206 1.00 0.00 O ATOM 930 OE2 GLU A 59 -15.998 0.426 9.327 1.00 0.00 O ATOM 0 H GLU A 59 -11.549 -1.182 7.472 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.708 -2.467 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.191 0.117 7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.518 0.094 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.765 -1.416 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.355 -2.140 8.369 1.00 0.00 H new ATOM 937 N GLU A 60 -12.554 0.274 4.651 1.00 0.00 N ATOM 938 CA GLU A 60 -12.358 0.922 3.359 1.00 0.00 C ATOM 939 C GLU A 60 -11.837 -0.072 2.325 1.00 0.00 C ATOM 940 O GLU A 60 -12.251 -0.053 1.166 1.00 0.00 O ATOM 941 CB GLU A 60 -11.381 2.092 3.494 1.00 0.00 C ATOM 942 CG GLU A 60 -11.912 3.232 4.347 1.00 0.00 C ATOM 943 CD GLU A 60 -13.055 3.975 3.683 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.108 3.989 2.435 1.00 0.00 O ATOM 945 OE2 GLU A 60 -13.895 4.543 4.411 1.00 0.00 O ATOM 0 H GLU A 60 -12.342 0.864 5.456 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.323 1.300 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.449 1.728 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.143 2.473 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.249 2.837 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.103 3.931 4.557 1.00 0.00 H new ATOM 952 N PHE A 61 -10.926 -0.940 2.753 1.00 0.00 N ATOM 953 CA PHE A 61 -10.347 -1.941 1.865 1.00 0.00 C ATOM 954 C PHE A 61 -11.419 -2.900 1.355 1.00 0.00 C ATOM 955 O PHE A 61 -11.470 -3.215 0.166 1.00 0.00 O ATOM 956 CB PHE A 61 -9.250 -2.723 2.590 1.00 0.00 C ATOM 957 CG PHE A 61 -7.974 -1.949 2.758 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.396 -1.298 1.680 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.351 -1.874 3.993 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.222 -0.584 1.831 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.177 -1.162 4.150 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.611 -0.518 3.068 1.00 0.00 C ATOM 0 H PHE A 61 -10.573 -0.970 3.709 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.910 -1.424 1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.616 -3.022 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.040 -3.638 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.868 -1.349 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.788 -2.378 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.783 -0.079 0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.703 -1.109 5.119 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.692 0.036 3.189 1.00 0.00 H new ATOM 972 N SER A 62 -12.272 -3.362 2.263 1.00 0.00 N ATOM 973 CA SER A 62 -13.340 -4.288 1.907 1.00 0.00 C ATOM 974 C SER A 62 -14.473 -3.561 1.189 1.00 0.00 C ATOM 975 O SER A 62 -15.386 -4.189 0.651 1.00 0.00 O ATOM 976 CB SER A 62 -13.878 -4.985 3.158 1.00 0.00 C ATOM 977 OG SER A 62 -14.965 -4.265 3.715 1.00 0.00 O ATOM 0 H SER A 62 -12.244 -3.110 3.251 1.00 0.00 H new ATOM 0 HA SER A 62 -12.927 -5.037 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.198 -5.996 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.082 -5.078 3.897 1.00 0.00 H new ATOM 0 HG SER A 62 -14.706 -3.329 3.843 1.00 0.00 H new ATOM 983 N ARG A 63 -14.408 -2.234 1.184 1.00 0.00 N ATOM 984 CA ARG A 63 -15.428 -1.421 0.534 1.00 0.00 C ATOM 985 C ARG A 63 -14.995 -1.032 -0.877 1.00 0.00 C ATOM 986 O ARG A 63 -13.807 -0.867 -1.149 1.00 0.00 O ATOM 987 CB ARG A 63 -15.708 -0.162 1.357 1.00 0.00 C ATOM 988 CG ARG A 63 -16.073 -0.450 2.805 1.00 0.00 C ATOM 989 CD ARG A 63 -17.282 -1.367 2.903 1.00 0.00 C ATOM 990 NE ARG A 63 -18.485 -0.746 2.355 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.144 0.238 2.958 1.00 0.00 C ATOM 992 NH1 ARG A 63 -18.718 0.710 4.121 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.231 0.751 2.396 1.00 0.00 N ATOM 0 H ARG A 63 -13.659 -1.699 1.623 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.340 -2.013 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.828 0.480 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.521 0.394 0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.224 -0.910 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.283 0.487 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.078 -2.295 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.453 -1.631 3.947 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.839 -1.086 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -17.882 0.318 4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -19.226 1.465 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.561 0.390 1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -20.737 1.506 2.859 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.969 -0.890 -1.770 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.690 -0.520 -3.152 1.00 0.00 C ATOM 1009 C ALA A 64 -15.008 0.843 -3.229 1.00 0.00 C ATOM 1010 O ALA A 64 -15.060 1.643 -2.294 1.00 0.00 O ATOM 1011 CB ALA A 64 -16.974 -0.516 -3.968 1.00 0.00 C ATOM 0 H ALA A 64 -16.958 -1.026 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.010 -1.262 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.750 -0.238 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.420 -1.510 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.674 0.203 -3.542 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.353 1.114 -4.367 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.284 0.169 -5.486 1.00 0.00 C ATOM 1019 C PRO A 65 -13.422 -1.047 -5.165 1.00 0.00 C ATOM 1020 O PRO A 65 -13.625 -2.127 -5.719 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.649 0.994 -6.608 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.865 2.049 -5.906 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.629 2.365 -4.650 1.00 0.00 C ATOM 0 HA PRO A 65 -15.264 -0.236 -5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.008 0.378 -7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.408 1.431 -7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.859 1.698 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.757 2.936 -6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.962 2.637 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.313 3.201 -4.795 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.461 -0.864 -4.266 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.566 -1.946 -3.873 1.00 0.00 C ATOM 1033 C TYR A 66 -12.356 -3.196 -3.496 1.00 0.00 C ATOM 1034 O TYR A 66 -11.987 -4.313 -3.860 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.689 -1.510 -2.698 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.372 -0.032 -2.696 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.780 0.573 -3.797 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.664 0.759 -1.592 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.488 1.924 -3.799 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.376 2.111 -1.585 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.788 2.688 -2.691 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.499 4.033 -2.688 1.00 0.00 O ATOM 0 H TYR A 66 -12.282 0.023 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.929 -2.183 -4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.191 -1.767 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.756 -2.073 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.544 -0.022 -4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.124 0.310 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.027 2.379 -4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.610 2.712 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.774 4.425 -1.833 1.00 0.00 H new ATOM 1052 N THR A 67 -13.448 -3.000 -2.764 1.00 0.00 N ATOM 1053 CA THR A 67 -14.291 -4.109 -2.336 1.00 0.00 C ATOM 1054 C THR A 67 -13.458 -5.350 -2.038 1.00 0.00 C ATOM 1055 O THR A 67 -13.917 -6.477 -2.225 1.00 0.00 O ATOM 1056 CB THR A 67 -15.346 -4.457 -3.404 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.329 -5.340 -2.852 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.695 -5.107 -4.615 1.00 0.00 C ATOM 0 H THR A 67 -13.769 -2.083 -2.455 1.00 0.00 H new ATOM 0 HA THR A 67 -14.798 -3.788 -1.426 1.00 0.00 H new ATOM 0 HB THR A 67 -15.828 -3.533 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.882 -6.076 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.459 -5.344 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.969 -4.421 -5.050 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.190 -6.023 -4.309 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.232 -5.136 -1.573 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.336 -6.238 -1.247 1.00 0.00 C ATOM 1068 C ILE A 68 -12.070 -7.337 -0.487 1.00 0.00 C ATOM 1069 O ILE A 68 -12.383 -7.185 0.693 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.137 -5.760 -0.406 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.329 -4.715 -1.179 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.257 -6.939 -0.020 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.267 -4.034 -0.344 1.00 0.00 C ATOM 0 H ILE A 68 -11.837 -4.209 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.969 -6.636 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.513 -5.299 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.855 -5.195 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.009 -3.960 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.414 -6.585 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.839 -7.651 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.886 -7.427 -0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.734 -3.306 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.737 -3.525 0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.564 -4.779 0.029 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.340 -8.444 -1.171 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.036 -9.569 -0.559 1.00 0.00 C ATOM 1087 C GLU A 69 -12.049 -10.647 -0.120 1.00 0.00 C ATOM 1088 O GLU A 69 -12.314 -11.404 0.812 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.053 -10.162 -1.537 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.015 -9.135 -2.111 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.352 -9.739 -2.494 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.425 -10.395 -3.554 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.325 -9.555 -1.733 1.00 0.00 O ATOM 0 H GLU A 69 -12.087 -8.586 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.561 -9.201 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.519 -10.645 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.624 -10.938 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.174 -8.343 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.565 -8.672 -2.989 1.00 0.00 H new ATOM 1100 N ASN A 70 -10.909 -10.709 -0.800 1.00 0.00 N ATOM 1101 CA ASN A 70 -9.881 -11.694 -0.482 1.00 0.00 C ATOM 1102 C ASN A 70 -9.105 -11.287 0.767 1.00 0.00 C ATOM 1103 O ASN A 70 -8.117 -10.558 0.686 1.00 0.00 O ATOM 1104 CB ASN A 70 -8.921 -11.859 -1.662 1.00 0.00 C ATOM 1105 CG ASN A 70 -9.352 -12.962 -2.608 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -10.539 -13.123 -2.893 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -8.387 -13.730 -3.101 1.00 0.00 N ATOM 0 H ASN A 70 -10.673 -10.089 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.374 -12.647 -0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.858 -10.919 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.921 -12.077 -1.286 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.617 -14.489 -3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.416 -13.561 -2.838 1.00 0.00 H new ATOM 1114 N SER A 71 -9.560 -11.764 1.921 1.00 0.00 N ATOM 1115 CA SER A 71 -8.911 -11.447 3.188 1.00 0.00 C ATOM 1116 C SER A 71 -7.403 -11.304 3.005 1.00 0.00 C ATOM 1117 O SER A 71 -6.816 -10.286 3.373 1.00 0.00 O ATOM 1118 CB SER A 71 -9.210 -12.533 4.223 1.00 0.00 C ATOM 1119 OG SER A 71 -10.487 -12.344 4.807 1.00 0.00 O ATOM 0 H SER A 71 -10.375 -12.371 2.005 1.00 0.00 H new ATOM 0 HA SER A 71 -9.308 -10.496 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.165 -13.514 3.749 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.446 -12.519 5.000 1.00 0.00 H new ATOM 0 HG SER A 71 -10.654 -13.052 5.464 1.00 0.00 H new ATOM 1125 N SER A 72 -6.783 -12.331 2.433 1.00 0.00 N ATOM 1126 CA SER A 72 -5.343 -12.322 2.204 1.00 0.00 C ATOM 1127 C SER A 72 -4.860 -10.923 1.833 1.00 0.00 C ATOM 1128 O SER A 72 -3.891 -10.417 2.401 1.00 0.00 O ATOM 1129 CB SER A 72 -4.975 -13.310 1.095 1.00 0.00 C ATOM 1130 OG SER A 72 -3.664 -13.817 1.277 1.00 0.00 O ATOM 0 H SER A 72 -7.255 -13.179 2.120 1.00 0.00 H new ATOM 0 HA SER A 72 -4.852 -12.624 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.689 -14.134 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.046 -12.816 0.126 1.00 0.00 H new ATOM 0 HG SER A 72 -3.454 -14.447 0.556 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.543 -10.302 0.877 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.185 -8.961 0.430 1.00 0.00 C ATOM 1138 C HIS A 73 -5.177 -7.982 1.600 1.00 0.00 C ATOM 1139 O HIS A 73 -4.257 -7.177 1.743 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.161 -8.481 -0.645 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.573 -7.469 -1.580 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -5.936 -6.139 -1.574 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.640 -7.598 -2.552 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.254 -5.494 -2.503 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.460 -6.357 -3.111 1.00 0.00 N ATOM 0 H HIS A 73 -6.347 -10.706 0.397 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.181 -9.002 0.007 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.504 -9.340 -1.222 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.038 -8.050 -0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.132 -8.508 -2.835 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.332 -4.440 -2.727 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.818 -6.137 -3.872 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.209 -8.056 2.434 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.322 -7.175 3.590 1.00 0.00 C ATOM 1156 C ARG A 74 -5.231 -7.478 4.613 1.00 0.00 C ATOM 1157 O ARG A 74 -4.568 -6.571 5.115 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.700 -7.324 4.239 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.765 -6.435 3.619 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.859 -6.096 4.618 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.433 -7.293 5.228 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.631 -7.324 5.800 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -12.379 -6.230 5.840 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.084 -8.452 6.334 1.00 0.00 N ATOM 0 H ARG A 74 -6.979 -8.717 2.331 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.199 -6.148 3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.017 -8.364 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.619 -7.093 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.306 -5.516 3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.202 -6.937 2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.452 -5.452 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.645 -5.532 4.117 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.883 -8.152 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.035 -5.362 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.299 -6.257 6.280 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.512 -9.296 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.004 -8.475 6.773 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.051 -8.760 4.916 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.042 -9.182 5.880 1.00 0.00 C ATOM 1180 C ARG A 75 -2.649 -8.746 5.435 1.00 0.00 C ATOM 1181 O ARG A 75 -1.862 -8.237 6.233 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.080 -10.701 6.058 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.322 -11.190 7.281 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.855 -11.437 6.966 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.098 -11.825 8.153 1.00 0.00 N ATOM 1186 CZ ARG A 75 0.152 -12.271 8.114 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.783 -12.384 6.954 1.00 0.00 N ATOM 1188 NH2 ARG A 75 0.775 -12.605 9.238 1.00 0.00 N ATOM 0 H ARG A 75 -5.590 -9.524 4.508 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.266 -8.705 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.118 -11.024 6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.662 -11.173 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.405 -10.453 8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.776 -12.110 7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.773 -12.220 6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.419 -10.534 6.537 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.555 -11.749 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.308 -12.128 6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.743 -12.727 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.293 -12.519 10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.735 -12.947 9.206 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.351 -8.949 4.156 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.054 -8.577 3.604 1.00 0.00 C ATOM 1204 C VAL A 76 -0.845 -7.068 3.661 1.00 0.00 C ATOM 1205 O VAL A 76 0.104 -6.585 4.280 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.908 -9.049 2.145 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.425 -8.596 1.568 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.049 -10.561 2.059 1.00 0.00 C ATOM 0 H VAL A 76 -2.991 -9.369 3.482 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.297 -9.070 4.215 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.705 -8.598 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.510 -8.939 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.482 -7.508 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.239 -9.017 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.943 -10.878 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.275 -11.034 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.030 -10.857 2.430 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.738 -6.328 3.012 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.652 -4.873 2.991 1.00 0.00 C ATOM 1220 C ILE A 77 -1.596 -4.304 4.405 1.00 0.00 C ATOM 1221 O ILE A 77 -0.638 -3.623 4.774 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.848 -4.249 2.247 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.722 -4.492 0.741 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.938 -2.760 2.543 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.990 -4.192 -0.027 1.00 0.00 C ATOM 0 H ILE A 77 -2.529 -6.712 2.494 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.733 -4.620 2.463 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.764 -4.725 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.914 -3.875 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.441 -5.531 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.788 -2.334 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.069 -2.609 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.022 -2.268 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.828 -4.386 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.796 -4.828 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.261 -3.146 0.113 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.626 -4.590 5.193 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.694 -4.109 6.569 1.00 0.00 C ATOM 1239 C LEU A 78 -1.435 -4.490 7.341 1.00 0.00 C ATOM 1240 O LEU A 78 -0.630 -3.631 7.702 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.928 -4.680 7.269 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.272 -4.077 6.859 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.414 -5.002 7.248 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.456 -2.705 7.492 1.00 0.00 C ATOM 0 H LEU A 78 -3.426 -5.153 4.903 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.768 -3.022 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.962 -5.753 7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.805 -4.547 8.344 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.280 -3.960 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.362 -4.556 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.291 -5.963 6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.409 -5.152 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.418 -2.291 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.426 -2.798 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.656 -2.042 7.163 1.00 0.00 H new ATOM 1256 N THR A 79 -1.269 -5.786 7.590 1.00 0.00 N ATOM 1257 CA THR A 79 -0.108 -6.281 8.319 1.00 0.00 C ATOM 1258 C THR A 79 1.152 -5.517 7.930 1.00 0.00 C ATOM 1259 O THR A 79 1.759 -4.841 8.760 1.00 0.00 O ATOM 1260 CB THR A 79 0.117 -7.783 8.063 1.00 0.00 C ATOM 1261 OG1 THR A 79 -0.981 -8.539 8.585 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.414 -8.253 8.704 1.00 0.00 C ATOM 0 H THR A 79 -1.924 -6.511 7.297 1.00 0.00 H new ATOM 0 HA THR A 79 -0.311 -6.127 9.379 1.00 0.00 H new ATOM 0 HB THR A 79 0.185 -7.939 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.624 -8.720 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.551 -9.317 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.251 -7.696 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.371 -8.083 9.780 1.00 0.00 H new ATOM 1270 N GLU A 80 1.539 -5.628 6.663 1.00 0.00 N ATOM 1271 CA GLU A 80 2.729 -4.946 6.165 1.00 0.00 C ATOM 1272 C GLU A 80 2.676 -3.456 6.487 1.00 0.00 C ATOM 1273 O GLU A 80 3.647 -2.880 6.979 1.00 0.00 O ATOM 1274 CB GLU A 80 2.865 -5.149 4.655 1.00 0.00 C ATOM 1275 CG GLU A 80 3.271 -6.560 4.264 1.00 0.00 C ATOM 1276 CD GLU A 80 4.775 -6.750 4.244 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.475 -6.019 4.977 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.253 -7.628 3.497 1.00 0.00 O ATOM 0 H GLU A 80 1.047 -6.183 5.963 1.00 0.00 H new ATOM 0 HA GLU A 80 3.599 -5.376 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.915 -4.908 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.604 -4.447 4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.828 -7.269 4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.866 -6.791 3.279 1.00 0.00 H new ATOM 1285 N LEU A 81 1.535 -2.836 6.205 1.00 0.00 N ATOM 1286 CA LEU A 81 1.354 -1.412 6.464 1.00 0.00 C ATOM 1287 C LEU A 81 1.633 -1.084 7.927 1.00 0.00 C ATOM 1288 O LEU A 81 2.098 0.009 8.250 1.00 0.00 O ATOM 1289 CB LEU A 81 -0.067 -0.983 6.095 1.00 0.00 C ATOM 1290 CG LEU A 81 -0.238 -0.336 4.721 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -1.712 -0.218 4.365 1.00 0.00 C ATOM 1292 CD2 LEU A 81 0.432 1.031 4.687 1.00 0.00 C ATOM 0 H LEU A 81 0.722 -3.297 5.797 1.00 0.00 H new ATOM 0 HA LEU A 81 2.065 -0.863 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.714 -1.859 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.421 -0.282 6.851 1.00 0.00 H new ATOM 0 HG LEU A 81 0.244 -0.973 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.813 0.245 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.162 -1.210 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.218 0.396 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.300 1.476 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.020 1.676 5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.496 0.920 4.895 1.00 0.00 H new ATOM 1304 N GLU A 82 1.348 -2.039 8.807 1.00 0.00 N ATOM 1305 CA GLU A 82 1.570 -1.851 10.236 1.00 0.00 C ATOM 1306 C GLU A 82 3.057 -1.926 10.570 1.00 0.00 C ATOM 1307 O GLU A 82 3.483 -1.517 11.650 1.00 0.00 O ATOM 1308 CB GLU A 82 0.803 -2.905 11.036 1.00 0.00 C ATOM 1309 CG GLU A 82 1.135 -2.905 12.519 1.00 0.00 C ATOM 1310 CD GLU A 82 -0.001 -3.435 13.372 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.215 -4.665 13.379 1.00 0.00 O ATOM 1312 OE2 GLU A 82 -0.676 -2.618 14.033 1.00 0.00 O ATOM 0 H GLU A 82 0.963 -2.950 8.556 1.00 0.00 H new ATOM 0 HA GLU A 82 1.204 -0.861 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.267 -2.736 10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.020 -3.891 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.025 -3.512 12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.377 -1.890 12.833 1.00 0.00 H new ATOM 1319 N ARG A 83 3.842 -2.454 9.636 1.00 0.00 N ATOM 1320 CA ARG A 83 5.281 -2.585 9.831 1.00 0.00 C ATOM 1321 C ARG A 83 6.021 -1.391 9.235 1.00 0.00 C ATOM 1322 O ARG A 83 6.790 -0.718 9.921 1.00 0.00 O ATOM 1323 CB ARG A 83 5.787 -3.881 9.196 1.00 0.00 C ATOM 1324 CG ARG A 83 5.102 -5.129 9.730 1.00 0.00 C ATOM 1325 CD ARG A 83 6.027 -6.334 9.687 1.00 0.00 C ATOM 1326 NE ARG A 83 5.949 -7.040 8.411 1.00 0.00 N ATOM 1327 CZ ARG A 83 6.694 -8.098 8.109 1.00 0.00 C ATOM 1328 NH1 ARG A 83 7.567 -8.570 8.987 1.00 0.00 N ATOM 1329 NH2 ARG A 83 6.565 -8.686 6.926 1.00 0.00 N ATOM 0 H ARG A 83 3.505 -2.798 8.737 1.00 0.00 H new ATOM 0 HA ARG A 83 5.476 -2.613 10.903 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.639 -3.829 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.860 -3.965 9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.776 -4.956 10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.208 -5.334 9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.053 -6.009 9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.769 -7.018 10.496 1.00 0.00 H new ATOM 0 HE ARG A 83 5.286 -6.702 7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.668 -8.121 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.138 -9.382 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.894 -8.326 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.137 -9.498 6.695 1.00 0.00 H new ATOM 1343 N VAL A 84 5.784 -1.134 7.952 1.00 0.00 N ATOM 1344 CA VAL A 84 6.427 -0.022 7.263 1.00 0.00 C ATOM 1345 C VAL A 84 6.255 1.279 8.040 1.00 0.00 C ATOM 1346 O VAL A 84 7.194 2.065 8.169 1.00 0.00 O ATOM 1347 CB VAL A 84 5.860 0.162 5.843 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.325 -0.964 4.932 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.341 0.235 5.881 1.00 0.00 C ATOM 0 H VAL A 84 5.151 -1.682 7.369 1.00 0.00 H new ATOM 0 HA VAL A 84 7.488 -0.263 7.194 1.00 0.00 H new ATOM 0 HB VAL A 84 6.236 1.102 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.914 -0.817 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.414 -0.964 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.980 -1.919 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.958 0.365 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.943 -0.687 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.033 1.080 6.497 1.00 0.00 H new ATOM 1359 N ARG A 85 5.050 1.499 8.555 1.00 0.00 N ATOM 1360 CA ARG A 85 4.755 2.705 9.319 1.00 0.00 C ATOM 1361 C ARG A 85 5.614 2.775 10.578 1.00 0.00 C ATOM 1362 O ARG A 85 6.192 3.816 10.889 1.00 0.00 O ATOM 1363 CB ARG A 85 3.273 2.744 9.697 1.00 0.00 C ATOM 1364 CG ARG A 85 2.855 1.628 10.640 1.00 0.00 C ATOM 1365 CD ARG A 85 1.363 1.672 10.929 1.00 0.00 C ATOM 1366 NE ARG A 85 0.567 1.619 9.706 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.700 2.011 9.636 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.312 2.483 10.713 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -1.358 1.931 8.486 1.00 0.00 N ATOM 0 H ARG A 85 4.262 0.858 8.457 1.00 0.00 H new ATOM 0 HA ARG A 85 4.987 3.567 8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.051 3.704 10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.673 2.684 8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.113 0.664 10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.410 1.713 11.574 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.094 0.835 11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.126 2.585 11.476 1.00 0.00 H new ATOM 0 HE ARG A 85 1.008 1.261 8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.810 2.546 11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.285 2.783 10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.891 1.568 7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.331 2.232 8.433 1.00 0.00 H new