USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 GLN : amide:sc= -1.54 K(o=-1.6,f=-0.56) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.0152 K(o=-1.6,f=-0.84) USER MOD Single : A 11 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.027) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -0.295 (180deg=-0.443) USER MOD Single : A 23 ASN : amide:sc= -0.335 K(o=-0.33,f=-3.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 38 ASN : amide:sc= -6.05! C(o=-6.1!,f=-4.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 30:sc= -1.57! USER MOD Single : A 54 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.5) USER MOD Single : A 57 SER OG : rot 170:sc= -0.225 USER MOD Single : A 60 GLN : amide:sc= -0.3 K(o=-0.3,f=-2.2!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.64 K(o=-0.64,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.565 -16.517 1.298 1.00 0.00 N ATOM 143 CA HIS A 11 0.376 -16.425 0.189 1.00 0.00 C ATOM 144 C HIS A 11 1.681 -15.764 0.626 1.00 0.00 C ATOM 145 O HIS A 11 2.728 -16.410 0.676 1.00 0.00 O ATOM 146 CB HIS A 11 -0.245 -15.635 -0.966 1.00 0.00 C ATOM 147 CG HIS A 11 -0.974 -16.491 -1.956 1.00 0.00 C ATOM 148 ND1 HIS A 11 -2.167 -16.090 -2.508 1.00 0.00 N ATOM 149 CD2 HIS A 11 -0.642 -17.707 -2.458 1.00 0.00 C ATOM 150 CE1 HIS A 11 -2.531 -17.059 -3.327 1.00 0.00 C ATOM 151 NE2 HIS A 11 -1.639 -18.061 -3.330 1.00 0.00 N ATOM 0 HA HIS A 11 0.601 -17.438 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.936 -14.896 -0.560 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.542 -15.086 -1.483 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.238 -18.285 -2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.433 -17.047 -3.920 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.692 -18.921 -3.876 1.00 0.00 H new ATOM 159 N ILE A 12 1.613 -14.473 0.937 1.00 0.00 N ATOM 160 CA ILE A 12 2.789 -13.723 1.364 1.00 0.00 C ATOM 161 C ILE A 12 2.953 -13.763 2.880 1.00 0.00 C ATOM 162 O ILE A 12 1.972 -13.708 3.622 1.00 0.00 O ATOM 163 CB ILE A 12 2.712 -12.250 0.909 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.930 -11.467 1.410 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.425 -11.611 1.409 1.00 0.00 C ATOM 166 CD1 ILE A 12 4.946 -11.176 0.330 1.00 0.00 C ATOM 0 H ILE A 12 0.754 -13.924 0.901 1.00 0.00 H new ATOM 0 HA ILE A 12 3.651 -14.199 0.896 1.00 0.00 H new ATOM 0 HB ILE A 12 2.713 -12.223 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.593 -10.526 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.412 -12.032 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.383 -10.572 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.569 -12.153 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.399 -11.649 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.781 -10.619 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.311 -12.114 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.480 -10.584 -0.458 1.00 0.00 H new ATOM 178 N SER A 13 4.202 -13.840 3.333 1.00 0.00 N ATOM 179 CA SER A 13 4.494 -13.867 4.759 1.00 0.00 C ATOM 180 C SER A 13 4.113 -12.539 5.396 1.00 0.00 C ATOM 181 O SER A 13 3.424 -12.499 6.416 1.00 0.00 O ATOM 182 CB SER A 13 5.976 -14.150 4.998 1.00 0.00 C ATOM 183 OG SER A 13 6.224 -15.543 5.079 1.00 0.00 O ATOM 0 H SER A 13 5.025 -13.885 2.732 1.00 0.00 H new ATOM 0 HA SER A 13 3.908 -14.664 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.566 -13.719 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.297 -13.666 5.920 1.00 0.00 H new ATOM 0 HG SER A 13 7.180 -15.697 5.231 1.00 0.00 H new ATOM 189 N LYS A 14 4.561 -11.450 4.778 1.00 0.00 N ATOM 190 CA LYS A 14 4.263 -10.114 5.274 1.00 0.00 C ATOM 191 C LYS A 14 4.486 -9.063 4.191 1.00 0.00 C ATOM 192 O LYS A 14 5.407 -9.171 3.382 1.00 0.00 O ATOM 193 CB LYS A 14 5.130 -9.796 6.495 1.00 0.00 C ATOM 194 CG LYS A 14 6.623 -9.810 6.206 1.00 0.00 C ATOM 195 CD LYS A 14 7.368 -10.718 7.172 1.00 0.00 C ATOM 196 CE LYS A 14 8.498 -9.979 7.872 1.00 0.00 C ATOM 197 NZ LYS A 14 9.577 -10.905 8.312 1.00 0.00 N ATOM 0 H LYS A 14 5.132 -11.469 3.933 1.00 0.00 H new ATOM 0 HA LYS A 14 3.213 -10.090 5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.853 -8.815 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.914 -10.520 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.794 -10.146 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.018 -8.797 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.673 -11.110 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.772 -11.574 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.914 -9.230 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.102 -9.445 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.328 -10.363 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.185 -11.604 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.972 -11.396 7.485 1.00 0.00 H new ATOM 211 N TYR A 15 3.632 -8.046 4.192 1.00 0.00 N ATOM 212 CA TYR A 15 3.714 -6.960 3.225 1.00 0.00 C ATOM 213 C TYR A 15 3.947 -5.634 3.944 1.00 0.00 C ATOM 214 O TYR A 15 3.210 -5.292 4.862 1.00 0.00 O ATOM 215 CB TYR A 15 2.412 -6.879 2.423 1.00 0.00 C ATOM 216 CG TYR A 15 2.534 -7.312 0.978 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.433 -6.696 0.119 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.737 -8.331 0.473 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.537 -7.084 -1.204 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.834 -8.725 -0.848 1.00 0.00 C ATOM 221 CZ TYR A 15 2.735 -8.099 -1.682 1.00 0.00 C ATOM 222 OH TYR A 15 2.833 -8.488 -2.998 1.00 0.00 O ATOM 0 H TYR A 15 2.867 -7.952 4.860 1.00 0.00 H new ATOM 0 HA TYR A 15 4.547 -7.155 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.660 -7.499 2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.046 -5.853 2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.062 -5.900 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.030 -8.824 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.242 -6.595 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.207 -9.519 -1.225 1.00 0.00 H new ATOM 0 HH TYR A 15 2.200 -9.215 -3.172 1.00 0.00 H new ATOM 232 N ILE A 16 4.958 -4.881 3.528 1.00 0.00 N ATOM 233 CA ILE A 16 5.235 -3.596 4.158 1.00 0.00 C ATOM 234 C ILE A 16 4.996 -2.455 3.191 1.00 0.00 C ATOM 235 O ILE A 16 5.429 -2.494 2.039 1.00 0.00 O ATOM 236 CB ILE A 16 6.679 -3.487 4.688 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.895 -4.453 5.857 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.979 -2.047 5.109 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.024 -4.158 7.062 1.00 0.00 C ATOM 0 H ILE A 16 5.591 -5.132 2.769 1.00 0.00 H new ATOM 0 HA ILE A 16 4.550 -3.529 5.004 1.00 0.00 H new ATOM 0 HB ILE A 16 7.368 -3.763 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.697 -5.470 5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.942 -4.415 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.001 -1.982 5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.863 -1.385 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.287 -1.746 5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.233 -4.883 7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.238 -3.154 7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.974 -4.225 6.777 1.00 0.00 H new ATOM 251 N LEU A 17 4.314 -1.434 3.677 1.00 0.00 N ATOM 252 CA LEU A 17 4.021 -0.268 2.873 1.00 0.00 C ATOM 253 C LEU A 17 4.791 0.934 3.388 1.00 0.00 C ATOM 254 O LEU A 17 4.547 1.410 4.497 1.00 0.00 O ATOM 255 CB LEU A 17 2.526 0.028 2.905 1.00 0.00 C ATOM 256 CG LEU A 17 1.934 0.492 1.573 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.834 -0.455 1.121 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.402 1.912 1.692 1.00 0.00 C ATOM 0 H LEU A 17 3.952 -1.392 4.630 1.00 0.00 H new ATOM 0 HA LEU A 17 4.325 -0.470 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.999 -0.870 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.338 0.795 3.657 1.00 0.00 H new ATOM 0 HG LEU A 17 2.724 0.484 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.424 -0.110 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.245 -1.457 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.043 -0.478 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.985 2.226 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.625 1.947 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.215 2.583 1.971 1.00 0.00 H new ATOM 270 N ARG A 18 5.711 1.432 2.577 1.00 0.00 N ATOM 271 CA ARG A 18 6.500 2.589 2.958 1.00 0.00 C ATOM 272 C ARG A 18 6.137 3.775 2.081 1.00 0.00 C ATOM 273 O ARG A 18 6.131 3.667 0.860 1.00 0.00 O ATOM 274 CB ARG A 18 7.995 2.282 2.845 1.00 0.00 C ATOM 275 CG ARG A 18 8.547 1.523 4.042 1.00 0.00 C ATOM 276 CD ARG A 18 9.557 0.467 3.618 1.00 0.00 C ATOM 277 NE ARG A 18 10.830 0.612 4.318 1.00 0.00 N ATOM 278 CZ ARG A 18 11.125 -0.014 5.454 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.238 -0.824 6.018 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.307 0.170 6.027 1.00 0.00 N ATOM 0 H ARG A 18 5.928 1.054 1.655 1.00 0.00 H new ATOM 0 HA ARG A 18 6.279 2.836 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.171 1.699 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.543 3.217 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.019 2.223 4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.728 1.048 4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.148 -0.524 3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.725 0.537 2.543 1.00 0.00 H new ATOM 0 HE ARG A 18 11.534 1.229 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.328 -0.968 5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.466 -1.303 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.991 0.792 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.532 -0.311 6.898 1.00 0.00 H new ATOM 294 N TRP A 19 5.824 4.902 2.703 1.00 0.00 N ATOM 295 CA TRP A 19 5.452 6.087 1.943 1.00 0.00 C ATOM 296 C TRP A 19 5.874 7.376 2.638 1.00 0.00 C ATOM 297 O TRP A 19 6.041 7.421 3.858 1.00 0.00 O ATOM 298 CB TRP A 19 3.942 6.098 1.679 1.00 0.00 C ATOM 299 CG TRP A 19 3.115 6.463 2.876 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.719 7.716 3.249 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.575 5.563 3.851 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.968 7.650 4.398 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.866 6.340 4.788 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.622 4.177 4.025 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.210 5.776 5.879 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.972 3.618 5.110 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.273 4.417 6.024 1.00 0.00 C ATOM 0 H TRP A 19 5.820 5.021 3.716 1.00 0.00 H new ATOM 0 HA TRP A 19 5.985 6.041 0.994 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.729 6.803 0.875 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.638 5.112 1.327 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.961 8.625 2.719 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.554 8.447 4.882 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.157 3.553 3.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.671 6.389 6.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.004 2.548 5.255 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.774 3.951 6.860 1.00 0.00 H new ATOM 318 N ARG A 20 6.034 8.418 1.827 1.00 0.00 N ATOM 319 CA ARG A 20 6.424 9.737 2.303 1.00 0.00 C ATOM 320 C ARG A 20 6.024 10.791 1.269 1.00 0.00 C ATOM 321 O ARG A 20 5.934 10.491 0.079 1.00 0.00 O ATOM 322 CB ARG A 20 7.934 9.789 2.564 1.00 0.00 C ATOM 323 CG ARG A 20 8.776 9.877 1.301 1.00 0.00 C ATOM 324 CD ARG A 20 9.188 11.311 1.004 1.00 0.00 C ATOM 325 NE ARG A 20 10.589 11.409 0.604 1.00 0.00 N ATOM 326 CZ ARG A 20 11.183 12.553 0.279 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.502 13.691 0.310 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.460 12.561 -0.077 1.00 0.00 N ATOM 0 H ARG A 20 5.896 8.369 0.818 1.00 0.00 H new ATOM 0 HA ARG A 20 5.911 9.944 3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.154 10.649 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.227 8.900 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.666 9.257 1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.212 9.477 0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.556 11.712 0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.020 11.926 1.888 1.00 0.00 H new ATOM 0 HE ARG A 20 11.142 10.553 0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.519 13.690 0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.961 14.567 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.988 11.689 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.914 13.440 -0.326 1.00 0.00 H new ATOM 342 N PRO A 21 5.768 12.038 1.701 1.00 0.00 N ATOM 343 CA PRO A 21 5.364 13.120 0.791 1.00 0.00 C ATOM 344 C PRO A 21 6.387 13.370 -0.310 1.00 0.00 C ATOM 345 O PRO A 21 7.513 13.791 -0.044 1.00 0.00 O ATOM 346 CB PRO A 21 5.256 14.338 1.711 1.00 0.00 C ATOM 347 CG PRO A 21 5.021 13.759 3.061 1.00 0.00 C ATOM 348 CD PRO A 21 5.829 12.496 3.099 1.00 0.00 C ATOM 0 HA PRO A 21 4.439 12.883 0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.167 14.936 1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.437 14.992 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.334 14.449 3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.963 13.553 3.221 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.854 12.679 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.405 11.763 3.785 1.00 0.00 H new ATOM 356 N LYS A 22 5.982 13.106 -1.549 1.00 0.00 N ATOM 357 CA LYS A 22 6.854 13.296 -2.701 1.00 0.00 C ATOM 358 C LYS A 22 7.093 14.778 -2.972 1.00 0.00 C ATOM 359 O LYS A 22 8.188 15.177 -3.369 1.00 0.00 O ATOM 360 CB LYS A 22 6.243 12.633 -3.938 1.00 0.00 C ATOM 361 CG LYS A 22 7.276 12.139 -4.937 1.00 0.00 C ATOM 362 CD LYS A 22 6.708 12.098 -6.346 1.00 0.00 C ATOM 363 CE LYS A 22 6.110 10.738 -6.665 1.00 0.00 C ATOM 364 NZ LYS A 22 7.150 9.674 -6.725 1.00 0.00 N ATOM 0 H LYS A 22 5.051 12.758 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 22 7.814 12.830 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.625 11.793 -3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.583 13.345 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.149 12.792 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.615 11.143 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.943 12.867 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.495 12.328 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.370 10.480 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.585 10.787 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.721 8.788 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.905 9.963 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.552 9.527 -5.777 1.00 0.00 H new ATOM 378 N ASN A 23 6.064 15.591 -2.755 1.00 0.00 N ATOM 379 CA ASN A 23 6.167 17.030 -2.977 1.00 0.00 C ATOM 380 C ASN A 23 6.762 17.728 -1.760 1.00 0.00 C ATOM 381 O ASN A 23 7.529 18.682 -1.892 1.00 0.00 O ATOM 382 CB ASN A 23 4.792 17.621 -3.295 1.00 0.00 C ATOM 383 CG ASN A 23 4.650 18.004 -4.755 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.620 17.980 -5.513 1.00 0.00 O ATOM 385 ND2 ASN A 23 3.437 18.363 -5.158 1.00 0.00 N ATOM 0 H ASN A 23 5.150 15.279 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 23 6.829 17.192 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.020 16.897 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.625 18.501 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.281 18.633 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.661 18.369 -4.496 1.00 0.00 H new ATOM 392 N SER A 24 6.405 17.245 -0.576 1.00 0.00 N ATOM 393 CA SER A 24 6.906 17.822 0.666 1.00 0.00 C ATOM 394 C SER A 24 8.136 17.065 1.157 1.00 0.00 C ATOM 395 O SER A 24 8.691 16.234 0.438 1.00 0.00 O ATOM 396 CB SER A 24 5.814 17.800 1.739 1.00 0.00 C ATOM 397 OG SER A 24 5.856 18.973 2.534 1.00 0.00 O ATOM 0 H SER A 24 5.771 16.456 -0.450 1.00 0.00 H new ATOM 0 HA SER A 24 7.192 18.856 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.836 17.713 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.940 16.922 2.373 1.00 0.00 H new ATOM 0 HG SER A 24 5.148 18.935 3.210 1.00 0.00 H new ATOM 403 N VAL A 25 8.556 17.357 2.385 1.00 0.00 N ATOM 404 CA VAL A 25 9.719 16.704 2.972 1.00 0.00 C ATOM 405 C VAL A 25 9.436 16.277 4.411 1.00 0.00 C ATOM 406 O VAL A 25 9.432 17.102 5.327 1.00 0.00 O ATOM 407 CB VAL A 25 10.959 17.625 2.938 1.00 0.00 C ATOM 408 CG1 VAL A 25 10.607 19.017 3.441 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.102 17.028 3.748 1.00 0.00 C ATOM 0 H VAL A 25 8.107 18.042 2.992 1.00 0.00 H new ATOM 0 HA VAL A 25 9.928 15.818 2.373 1.00 0.00 H new ATOM 0 HB VAL A 25 11.291 17.711 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.494 19.650 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.831 19.447 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.244 18.952 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.963 17.695 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.787 16.903 4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.375 16.058 3.332 1.00 0.00 H new ATOM 419 N GLY A 26 9.196 14.984 4.600 1.00 0.00 N ATOM 420 CA GLY A 26 8.912 14.470 5.927 1.00 0.00 C ATOM 421 C GLY A 26 9.611 13.155 6.201 1.00 0.00 C ATOM 422 O GLY A 26 10.777 12.979 5.849 1.00 0.00 O ATOM 0 H GLY A 26 9.193 14.283 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.221 15.204 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.836 14.336 6.039 1.00 0.00 H new ATOM 426 N ARG A 27 8.897 12.229 6.832 1.00 0.00 N ATOM 427 CA ARG A 27 9.456 10.922 7.154 1.00 0.00 C ATOM 428 C ARG A 27 8.591 9.806 6.581 1.00 0.00 C ATOM 429 O ARG A 27 7.379 9.960 6.432 1.00 0.00 O ATOM 430 CB ARG A 27 9.585 10.755 8.669 1.00 0.00 C ATOM 431 CG ARG A 27 10.354 11.882 9.340 1.00 0.00 C ATOM 432 CD ARG A 27 9.448 12.723 10.225 1.00 0.00 C ATOM 433 NE ARG A 27 8.569 13.589 9.444 1.00 0.00 N ATOM 434 CZ ARG A 27 7.275 13.352 9.258 1.00 0.00 C ATOM 435 NH1 ARG A 27 6.710 12.278 9.795 1.00 0.00 N ATOM 436 NH2 ARG A 27 6.543 14.191 8.537 1.00 0.00 N ATOM 0 H ARG A 27 7.930 12.360 7.130 1.00 0.00 H new ATOM 0 HA ARG A 27 10.447 10.859 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.588 10.695 9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.083 9.809 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.164 11.465 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.812 12.515 8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.845 12.067 10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.057 13.332 10.892 1.00 0.00 H new ATOM 0 HE ARG A 27 8.971 14.423 9.017 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.269 11.632 10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.716 12.098 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.974 15.019 8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.550 14.008 8.395 1.00 0.00 H new ATOM 450 N TRP A 28 9.224 8.682 6.263 1.00 0.00 N ATOM 451 CA TRP A 28 8.515 7.536 5.706 1.00 0.00 C ATOM 452 C TRP A 28 7.567 6.927 6.734 1.00 0.00 C ATOM 453 O TRP A 28 7.544 7.339 7.894 1.00 0.00 O ATOM 454 CB TRP A 28 9.514 6.478 5.232 1.00 0.00 C ATOM 455 CG TRP A 28 10.277 6.881 4.007 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.403 7.651 3.958 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.971 6.531 2.653 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.816 7.801 2.656 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.953 7.123 1.836 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.962 5.774 2.051 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.954 6.980 0.450 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.964 5.633 0.676 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.955 6.232 -0.110 1.00 0.00 C ATOM 0 H TRP A 28 10.227 8.540 6.382 1.00 0.00 H new ATOM 0 HA TRP A 28 7.926 7.883 4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.219 6.269 6.037 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.979 5.550 5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.897 8.080 4.817 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.632 8.331 2.350 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.194 5.307 2.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.716 7.443 -0.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.188 5.051 0.200 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.930 6.101 -1.182 1.00 0.00 H new ATOM 474 N LYS A 29 6.789 5.939 6.301 1.00 0.00 N ATOM 475 CA LYS A 29 5.843 5.264 7.180 1.00 0.00 C ATOM 476 C LYS A 29 5.768 3.790 6.815 1.00 0.00 C ATOM 477 O LYS A 29 5.986 3.428 5.662 1.00 0.00 O ATOM 478 CB LYS A 29 4.460 5.907 7.073 1.00 0.00 C ATOM 479 CG LYS A 29 4.069 6.714 8.299 1.00 0.00 C ATOM 480 CD LYS A 29 3.068 5.966 9.164 1.00 0.00 C ATOM 481 CE LYS A 29 2.649 6.791 10.370 1.00 0.00 C ATOM 482 NZ LYS A 29 1.208 7.161 10.315 1.00 0.00 N ATOM 0 H LYS A 29 6.796 5.588 5.343 1.00 0.00 H new ATOM 0 HA LYS A 29 6.187 5.361 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.437 6.557 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.717 5.126 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.959 6.941 8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.641 7.667 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.189 5.714 8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.506 5.026 9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.844 6.227 11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.255 7.696 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.962 7.723 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.026 7.721 9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.628 6.298 10.294 1.00 0.00 H new ATOM 496 N GLU A 30 5.478 2.940 7.794 1.00 0.00 N ATOM 497 CA GLU A 30 5.403 1.503 7.548 1.00 0.00 C ATOM 498 C GLU A 30 4.021 0.945 7.871 1.00 0.00 C ATOM 499 O GLU A 30 3.424 1.280 8.895 1.00 0.00 O ATOM 500 CB GLU A 30 6.464 0.774 8.378 1.00 0.00 C ATOM 501 CG GLU A 30 7.873 1.302 8.166 1.00 0.00 C ATOM 502 CD GLU A 30 8.936 0.348 8.676 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.792 -0.873 8.458 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.912 0.823 9.294 1.00 0.00 O ATOM 0 H GLU A 30 5.292 3.217 8.758 1.00 0.00 H new ATOM 0 HA GLU A 30 5.590 1.339 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.208 0.859 9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.442 -0.287 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.033 1.484 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.978 2.261 8.673 1.00 0.00 H new ATOM 511 N ALA A 31 3.528 0.081 6.988 1.00 0.00 N ATOM 512 CA ALA A 31 2.224 -0.547 7.163 1.00 0.00 C ATOM 513 C ALA A 31 2.270 -2.008 6.731 1.00 0.00 C ATOM 514 O ALA A 31 2.432 -2.311 5.549 1.00 0.00 O ATOM 515 CB ALA A 31 1.160 0.204 6.375 1.00 0.00 C ATOM 0 H ALA A 31 4.017 -0.201 6.138 1.00 0.00 H new ATOM 0 HA ALA A 31 1.965 -0.508 8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.193 -0.279 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.106 1.234 6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.418 0.195 5.316 1.00 0.00 H new ATOM 521 N THR A 32 2.135 -2.908 7.697 1.00 0.00 N ATOM 522 CA THR A 32 2.171 -4.339 7.417 1.00 0.00 C ATOM 523 C THR A 32 0.800 -4.866 7.011 1.00 0.00 C ATOM 524 O THR A 32 -0.219 -4.499 7.596 1.00 0.00 O ATOM 525 CB THR A 32 2.678 -5.143 8.629 1.00 0.00 C ATOM 526 OG1 THR A 32 3.750 -4.440 9.269 1.00 0.00 O ATOM 527 CG2 THR A 32 3.153 -6.524 8.197 1.00 0.00 C ATOM 0 H THR A 32 2.000 -2.673 8.680 1.00 0.00 H new ATOM 0 HA THR A 32 2.865 -4.471 6.587 1.00 0.00 H new ATOM 0 HB THR A 32 1.854 -5.262 9.332 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.066 -4.957 10.040 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.507 -7.076 9.068 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.327 -7.065 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.966 -6.421 7.478 1.00 0.00 H new ATOM 535 N ILE A 33 0.790 -5.734 6.005 1.00 0.00 N ATOM 536 CA ILE A 33 -0.443 -6.327 5.506 1.00 0.00 C ATOM 537 C ILE A 33 -0.305 -7.845 5.409 1.00 0.00 C ATOM 538 O ILE A 33 0.501 -8.352 4.627 1.00 0.00 O ATOM 539 CB ILE A 33 -0.821 -5.773 4.114 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.196 -4.388 3.892 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.335 -5.717 3.959 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.831 -3.286 4.715 1.00 0.00 C ATOM 0 H ILE A 33 1.630 -6.044 5.516 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.231 -6.067 6.213 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.424 -6.446 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.867 -4.438 4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.275 -4.130 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.586 -5.325 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.749 -6.720 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.755 -5.067 4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.334 -2.340 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.888 -3.206 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.729 -3.518 5.775 1.00 0.00 H new ATOM 554 N PRO A 34 -1.083 -8.594 6.213 1.00 0.00 N ATOM 555 CA PRO A 34 -1.036 -10.058 6.211 1.00 0.00 C ATOM 556 C PRO A 34 -1.802 -10.660 5.038 1.00 0.00 C ATOM 557 O PRO A 34 -2.999 -10.931 5.137 1.00 0.00 O ATOM 558 CB PRO A 34 -1.703 -10.424 7.536 1.00 0.00 C ATOM 559 CG PRO A 34 -2.667 -9.317 7.792 1.00 0.00 C ATOM 560 CD PRO A 34 -2.064 -8.075 7.186 1.00 0.00 C ATOM 0 HA PRO A 34 -0.020 -10.440 6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.212 -11.386 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.971 -10.505 8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.636 -9.536 7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.832 -9.186 8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.821 -7.460 6.700 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.585 -7.453 7.943 1.00 0.00 H new ATOM 568 N GLY A 35 -1.103 -10.865 3.925 1.00 0.00 N ATOM 569 CA GLY A 35 -1.734 -11.430 2.746 1.00 0.00 C ATOM 570 C GLY A 35 -2.769 -10.500 2.146 1.00 0.00 C ATOM 571 O GLY A 35 -2.445 -9.650 1.317 1.00 0.00 O ATOM 0 H GLY A 35 -0.112 -10.650 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.971 -11.651 1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.207 -12.376 3.008 1.00 0.00 H new ATOM 575 N HIS A 36 -4.017 -10.658 2.573 1.00 0.00 N ATOM 576 CA HIS A 36 -5.109 -9.825 2.085 1.00 0.00 C ATOM 577 C HIS A 36 -6.292 -9.881 3.044 1.00 0.00 C ATOM 578 O HIS A 36 -7.299 -10.534 2.771 1.00 0.00 O ATOM 579 CB HIS A 36 -5.541 -10.271 0.686 1.00 0.00 C ATOM 580 CG HIS A 36 -6.195 -9.185 -0.110 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.468 -8.140 -0.628 1.00 0.00 N ATOM 582 CD2 HIS A 36 -7.499 -9.025 -0.445 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.337 -7.374 -1.263 1.00 0.00 C ATOM 584 NE2 HIS A 36 -7.580 -7.870 -1.179 1.00 0.00 N ATOM 0 H HIS A 36 -4.298 -11.359 3.259 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.755 -8.796 2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.668 -10.634 0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.231 -11.110 0.777 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.316 -9.681 -0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.079 -6.464 -1.784 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.424 -7.465 -1.584 1.00 0.00 H new ATOM 592 N LEU A 37 -6.154 -9.197 4.174 1.00 0.00 N ATOM 593 CA LEU A 37 -7.199 -9.166 5.190 1.00 0.00 C ATOM 594 C LEU A 37 -8.451 -8.461 4.674 1.00 0.00 C ATOM 595 O LEU A 37 -9.570 -8.828 5.035 1.00 0.00 O ATOM 596 CB LEU A 37 -6.680 -8.466 6.455 1.00 0.00 C ATOM 597 CG LEU A 37 -6.665 -6.932 6.406 1.00 0.00 C ATOM 598 CD1 LEU A 37 -6.253 -6.361 7.754 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.730 -6.430 5.317 1.00 0.00 C ATOM 0 H LEU A 37 -5.324 -8.654 4.410 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.468 -10.194 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.294 -8.779 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.666 -8.815 6.652 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.675 -6.593 6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.248 -5.272 7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.961 -6.684 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.255 -6.717 8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.738 -5.340 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.718 -6.783 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.063 -6.807 4.350 1.00 0.00 H new ATOM 611 N ASN A 38 -8.250 -7.457 3.824 1.00 0.00 N ATOM 612 CA ASN A 38 -9.351 -6.690 3.240 1.00 0.00 C ATOM 613 C ASN A 38 -8.809 -5.519 2.429 1.00 0.00 C ATOM 614 O ASN A 38 -7.604 -5.420 2.199 1.00 0.00 O ATOM 615 CB ASN A 38 -10.295 -6.174 4.334 1.00 0.00 C ATOM 616 CG ASN A 38 -9.573 -5.368 5.398 1.00 0.00 C ATOM 617 OD1 ASN A 38 -9.491 -5.779 6.555 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.049 -4.209 5.013 1.00 0.00 N ATOM 0 H ASN A 38 -7.325 -7.152 3.521 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.912 -7.351 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.069 -5.556 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.797 -7.020 4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.556 -3.623 5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.140 -3.905 4.043 1.00 0.00 H new ATOM 625 N SER A 39 -9.700 -4.629 2.003 1.00 0.00 N ATOM 626 CA SER A 39 -9.294 -3.464 1.225 1.00 0.00 C ATOM 627 C SER A 39 -8.674 -2.409 2.133 1.00 0.00 C ATOM 628 O SER A 39 -9.377 -1.726 2.879 1.00 0.00 O ATOM 629 CB SER A 39 -10.495 -2.874 0.480 1.00 0.00 C ATOM 630 OG SER A 39 -10.620 -3.435 -0.815 1.00 0.00 O ATOM 0 H SER A 39 -10.702 -4.691 2.182 1.00 0.00 H new ATOM 0 HA SER A 39 -8.549 -3.781 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.406 -3.059 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.382 -1.793 0.402 1.00 0.00 H new ATOM 0 HG SER A 39 -11.395 -3.042 -1.268 1.00 0.00 H new ATOM 636 N TYR A 40 -7.353 -2.286 2.068 1.00 0.00 N ATOM 637 CA TYR A 40 -6.631 -1.318 2.886 1.00 0.00 C ATOM 638 C TYR A 40 -6.504 0.018 2.161 1.00 0.00 C ATOM 639 O TYR A 40 -5.878 0.106 1.106 1.00 0.00 O ATOM 640 CB TYR A 40 -5.244 -1.860 3.242 1.00 0.00 C ATOM 641 CG TYR A 40 -4.679 -1.298 4.528 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.318 0.040 4.623 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.505 -2.105 5.645 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.800 0.559 5.793 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.988 -1.594 6.820 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.636 -0.262 6.889 1.00 0.00 C ATOM 647 OH TYR A 40 -3.121 0.249 8.058 1.00 0.00 O ATOM 0 H TYR A 40 -6.759 -2.846 1.456 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.196 -1.156 3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.299 -2.946 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.557 -1.636 2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.445 0.686 3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.778 -3.149 5.594 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.525 1.602 5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.860 -2.234 7.680 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.072 -0.461 8.732 1.00 0.00 H new ATOM 657 N THR A 41 -7.108 1.056 2.734 1.00 0.00 N ATOM 658 CA THR A 41 -7.067 2.388 2.142 1.00 0.00 C ATOM 659 C THR A 41 -6.329 3.374 3.043 1.00 0.00 C ATOM 660 O THR A 41 -6.596 3.457 4.241 1.00 0.00 O ATOM 661 CB THR A 41 -8.487 2.922 1.870 1.00 0.00 C ATOM 662 OG1 THR A 41 -9.277 1.911 1.234 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.439 4.161 0.990 1.00 0.00 C ATOM 0 H THR A 41 -7.631 0.999 3.608 1.00 0.00 H new ATOM 0 HA THR A 41 -6.530 2.297 1.198 1.00 0.00 H new ATOM 0 HB THR A 41 -8.940 3.190 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.178 2.257 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.453 4.520 0.812 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.861 4.939 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.969 3.913 0.038 1.00 0.00 H new ATOM 671 N ILE A 42 -5.400 4.123 2.454 1.00 0.00 N ATOM 672 CA ILE A 42 -4.621 5.109 3.199 1.00 0.00 C ATOM 673 C ILE A 42 -5.143 6.521 2.948 1.00 0.00 C ATOM 674 O ILE A 42 -5.341 6.926 1.803 1.00 0.00 O ATOM 675 CB ILE A 42 -3.126 5.041 2.821 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.554 3.668 3.178 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.344 6.143 3.522 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.916 2.956 2.006 1.00 0.00 C ATOM 0 H ILE A 42 -5.168 4.066 1.462 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.728 4.872 4.257 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.033 5.190 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.813 3.787 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.352 3.044 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.293 6.077 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.739 7.115 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.440 6.027 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.532 1.989 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.659 2.806 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.096 3.559 1.616 1.00 0.00 H new ATOM 690 N LYS A 43 -5.367 7.265 4.029 1.00 0.00 N ATOM 691 CA LYS A 43 -5.871 8.633 3.929 1.00 0.00 C ATOM 692 C LYS A 43 -5.099 9.570 4.855 1.00 0.00 C ATOM 693 O LYS A 43 -4.058 9.203 5.398 1.00 0.00 O ATOM 694 CB LYS A 43 -7.361 8.672 4.273 1.00 0.00 C ATOM 695 CG LYS A 43 -8.232 7.905 3.293 1.00 0.00 C ATOM 696 CD LYS A 43 -9.694 8.305 3.418 1.00 0.00 C ATOM 697 CE LYS A 43 -10.283 8.689 2.070 1.00 0.00 C ATOM 698 NZ LYS A 43 -11.739 8.390 1.997 1.00 0.00 N ATOM 0 H LYS A 43 -5.208 6.944 4.984 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.730 8.972 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.505 8.262 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.691 9.710 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.888 8.091 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.129 6.835 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.263 7.479 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.785 9.143 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.121 9.752 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.761 8.150 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.104 8.666 1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.892 7.371 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.240 8.923 2.736 1.00 0.00 H new ATOM 712 N GLY A 44 -5.621 10.782 5.029 1.00 0.00 N ATOM 713 CA GLY A 44 -4.972 11.755 5.891 1.00 0.00 C ATOM 714 C GLY A 44 -4.073 12.704 5.125 1.00 0.00 C ATOM 715 O GLY A 44 -3.395 13.543 5.719 1.00 0.00 O ATOM 0 H GLY A 44 -6.482 11.107 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.732 12.329 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.384 11.232 6.645 1.00 0.00 H new ATOM 719 N LEU A 45 -4.067 12.573 3.803 1.00 0.00 N ATOM 720 CA LEU A 45 -3.244 13.426 2.954 1.00 0.00 C ATOM 721 C LEU A 45 -3.834 14.828 2.862 1.00 0.00 C ATOM 722 O LEU A 45 -4.762 15.169 3.596 1.00 0.00 O ATOM 723 CB LEU A 45 -3.108 12.817 1.554 1.00 0.00 C ATOM 724 CG LEU A 45 -2.634 11.355 1.506 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.632 11.060 2.616 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.822 10.411 1.597 1.00 0.00 C ATOM 0 H LEU A 45 -4.623 11.884 3.296 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.253 13.498 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.074 12.883 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.409 13.425 0.980 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.131 11.196 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.317 10.018 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.764 11.709 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.098 11.241 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.471 9.380 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.352 10.582 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.497 10.593 0.760 1.00 0.00 H new ATOM 738 N LYS A 46 -3.289 15.640 1.959 1.00 0.00 N ATOM 739 CA LYS A 46 -3.768 17.008 1.781 1.00 0.00 C ATOM 740 C LYS A 46 -3.855 17.368 0.299 1.00 0.00 C ATOM 741 O LYS A 46 -3.101 16.844 -0.521 1.00 0.00 O ATOM 742 CB LYS A 46 -2.849 17.996 2.505 1.00 0.00 C ATOM 743 CG LYS A 46 -2.420 17.535 3.889 1.00 0.00 C ATOM 744 CD LYS A 46 -1.079 18.130 4.287 1.00 0.00 C ATOM 745 CE LYS A 46 -0.388 17.287 5.348 1.00 0.00 C ATOM 746 NZ LYS A 46 0.712 18.034 6.021 1.00 0.00 N ATOM 0 H LYS A 46 -2.520 15.376 1.343 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.767 17.072 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.960 18.164 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.360 18.955 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.177 17.822 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.356 16.447 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.439 18.207 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.226 19.142 4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.119 16.969 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.014 16.384 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.158 17.425 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.422 18.316 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.325 18.883 6.481 1.00 0.00 H new ATOM 760 N PRO A 47 -4.784 18.272 -0.065 1.00 0.00 N ATOM 761 CA PRO A 47 -4.968 18.700 -1.457 1.00 0.00 C ATOM 762 C PRO A 47 -3.814 19.562 -1.959 1.00 0.00 C ATOM 763 O PRO A 47 -3.510 20.606 -1.381 1.00 0.00 O ATOM 764 CB PRO A 47 -6.260 19.518 -1.410 1.00 0.00 C ATOM 765 CG PRO A 47 -6.339 20.018 -0.009 1.00 0.00 C ATOM 766 CD PRO A 47 -5.729 18.944 0.849 1.00 0.00 C ATOM 0 HA PRO A 47 -5.007 17.851 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.234 20.341 -2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.126 18.906 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.799 20.959 0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.373 20.208 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.220 19.364 1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.484 18.254 1.226 1.00 0.00 H new ATOM 774 N GLY A 48 -3.178 19.118 -3.038 1.00 0.00 N ATOM 775 CA GLY A 48 -2.068 19.860 -3.604 1.00 0.00 C ATOM 776 C GLY A 48 -0.736 19.166 -3.392 1.00 0.00 C ATOM 777 O GLY A 48 0.250 19.485 -4.057 1.00 0.00 O ATOM 0 H GLY A 48 -3.412 18.256 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.235 19.999 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.032 20.853 -3.155 1.00 0.00 H new ATOM 781 N VAL A 49 -0.705 18.215 -2.462 1.00 0.00 N ATOM 782 CA VAL A 49 0.520 17.481 -2.168 1.00 0.00 C ATOM 783 C VAL A 49 0.337 15.986 -2.413 1.00 0.00 C ATOM 784 O VAL A 49 -0.577 15.363 -1.871 1.00 0.00 O ATOM 785 CB VAL A 49 0.983 17.711 -0.713 1.00 0.00 C ATOM 786 CG1 VAL A 49 -0.111 17.331 0.271 1.00 0.00 C ATOM 787 CG2 VAL A 49 2.262 16.938 -0.425 1.00 0.00 C ATOM 0 H VAL A 49 -1.511 17.936 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 49 1.287 17.861 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 49 1.193 18.773 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.240 17.502 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.996 17.940 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.363 16.278 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.570 17.115 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.084 15.873 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.049 17.272 -1.101 1.00 0.00 H new ATOM 797 N VAL A 50 1.215 15.415 -3.232 1.00 0.00 N ATOM 798 CA VAL A 50 1.152 13.994 -3.545 1.00 0.00 C ATOM 799 C VAL A 50 2.103 13.203 -2.655 1.00 0.00 C ATOM 800 O VAL A 50 3.200 13.663 -2.339 1.00 0.00 O ATOM 801 CB VAL A 50 1.494 13.723 -5.023 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.550 12.228 -5.299 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.481 14.399 -5.933 1.00 0.00 C ATOM 0 H VAL A 50 1.977 15.915 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 50 0.128 13.671 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 50 2.479 14.142 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.793 12.061 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.315 11.771 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.582 11.780 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.736 14.198 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.515 14.009 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.495 15.475 -5.757 1.00 0.00 H new ATOM 813 N TYR A 51 1.674 12.012 -2.256 1.00 0.00 N ATOM 814 CA TYR A 51 2.484 11.157 -1.399 1.00 0.00 C ATOM 815 C TYR A 51 2.987 9.942 -2.167 1.00 0.00 C ATOM 816 O TYR A 51 2.202 9.190 -2.743 1.00 0.00 O ATOM 817 CB TYR A 51 1.676 10.708 -0.182 1.00 0.00 C ATOM 818 CG TYR A 51 1.321 11.838 0.758 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.386 12.798 0.397 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.922 11.943 2.006 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.061 13.834 1.251 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.601 12.975 2.867 1.00 0.00 C ATOM 823 CZ TYR A 51 0.671 13.918 2.485 1.00 0.00 C ATOM 824 OH TYR A 51 0.349 14.947 3.338 1.00 0.00 O ATOM 0 H TYR A 51 0.769 11.617 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 51 3.345 11.733 -1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.759 10.228 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.245 9.957 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.095 12.734 -0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.652 11.206 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.667 14.574 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.076 13.042 3.834 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.579 15.222 3.183 1.00 0.00 H new ATOM 834 N GLU A 52 4.302 9.753 -2.164 1.00 0.00 N ATOM 835 CA GLU A 52 4.908 8.621 -2.856 1.00 0.00 C ATOM 836 C GLU A 52 5.004 7.424 -1.919 1.00 0.00 C ATOM 837 O GLU A 52 5.018 7.588 -0.700 1.00 0.00 O ATOM 838 CB GLU A 52 6.295 8.999 -3.392 1.00 0.00 C ATOM 839 CG GLU A 52 7.438 8.701 -2.431 1.00 0.00 C ATOM 840 CD GLU A 52 8.397 7.657 -2.970 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.923 6.602 -3.440 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.622 7.894 -2.919 1.00 0.00 O ATOM 0 H GLU A 52 4.967 10.366 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 52 4.277 8.350 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.470 8.463 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.303 10.063 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.986 9.621 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.029 8.357 -1.481 1.00 0.00 H new ATOM 849 N GLY A 53 5.064 6.222 -2.484 1.00 0.00 N ATOM 850 CA GLY A 53 5.152 5.035 -1.657 1.00 0.00 C ATOM 851 C GLY A 53 5.547 3.792 -2.427 1.00 0.00 C ATOM 852 O GLY A 53 5.275 3.671 -3.619 1.00 0.00 O ATOM 0 H GLY A 53 5.053 6.051 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.879 5.208 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.189 4.864 -1.176 1.00 0.00 H new ATOM 856 N GLN A 54 6.184 2.862 -1.728 1.00 0.00 N ATOM 857 CA GLN A 54 6.622 1.605 -2.315 1.00 0.00 C ATOM 858 C GLN A 54 6.235 0.449 -1.401 1.00 0.00 C ATOM 859 O GLN A 54 6.461 0.505 -0.192 1.00 0.00 O ATOM 860 CB GLN A 54 8.136 1.620 -2.531 1.00 0.00 C ATOM 861 CG GLN A 54 8.825 2.784 -1.843 1.00 0.00 C ATOM 862 CD GLN A 54 10.332 2.753 -2.001 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.991 1.791 -1.606 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.886 3.812 -2.581 1.00 0.00 N ATOM 0 H GLN A 54 6.411 2.959 -0.738 1.00 0.00 H new ATOM 0 HA GLN A 54 6.135 1.476 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.559 0.686 -2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.344 1.663 -3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.441 3.719 -2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.575 2.772 -0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.301 4.587 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.897 3.850 -2.714 1.00 0.00 H new ATOM 873 N LEU A 55 5.644 -0.588 -1.976 1.00 0.00 N ATOM 874 CA LEU A 55 5.219 -1.745 -1.201 1.00 0.00 C ATOM 875 C LEU A 55 6.228 -2.881 -1.323 1.00 0.00 C ATOM 876 O LEU A 55 6.313 -3.531 -2.361 1.00 0.00 O ATOM 877 CB LEU A 55 3.844 -2.214 -1.682 1.00 0.00 C ATOM 878 CG LEU A 55 3.319 -3.495 -1.031 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.881 -3.232 0.401 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.169 -4.065 -1.845 1.00 0.00 C ATOM 0 H LEU A 55 5.448 -0.652 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 55 5.156 -1.454 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.124 -1.415 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.889 -2.367 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 55 4.127 -4.226 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.511 -4.157 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.729 -2.866 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.088 -2.484 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.804 -4.976 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.362 -3.334 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.515 -4.294 -2.853 1.00 0.00 H new ATOM 892 N ILE A 56 6.984 -3.118 -0.254 1.00 0.00 N ATOM 893 CA ILE A 56 7.984 -4.179 -0.242 1.00 0.00 C ATOM 894 C ILE A 56 7.383 -5.478 0.278 1.00 0.00 C ATOM 895 O ILE A 56 6.599 -5.474 1.225 1.00 0.00 O ATOM 896 CB ILE A 56 9.208 -3.798 0.615 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.928 -2.596 -0.001 1.00 0.00 C ATOM 898 CG2 ILE A 56 10.159 -4.980 0.747 1.00 0.00 C ATOM 899 CD1 ILE A 56 9.587 -1.282 0.665 1.00 0.00 C ATOM 0 H ILE A 56 6.922 -2.588 0.615 1.00 0.00 H new ATOM 0 HA ILE A 56 8.316 -4.320 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 56 8.863 -3.526 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.004 -2.757 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.675 -2.534 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.016 -4.691 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.641 -5.813 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.502 -5.283 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.133 -0.474 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.516 -1.099 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.866 -1.325 1.718 1.00 0.00 H new ATOM 911 N SER A 57 7.739 -6.584 -0.363 1.00 0.00 N ATOM 912 CA SER A 57 7.218 -7.886 0.016 1.00 0.00 C ATOM 913 C SER A 57 8.317 -8.819 0.493 1.00 0.00 C ATOM 914 O SER A 57 9.264 -9.122 -0.233 1.00 0.00 O ATOM 915 CB SER A 57 6.479 -8.511 -1.161 1.00 0.00 C ATOM 916 OG SER A 57 7.002 -9.790 -1.480 1.00 0.00 O ATOM 0 H SER A 57 8.388 -6.603 -1.149 1.00 0.00 H new ATOM 0 HA SER A 57 6.528 -7.738 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.419 -8.599 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.557 -7.857 -2.030 1.00 0.00 H new ATOM 0 HG SER A 57 6.413 -10.233 -2.126 1.00 0.00 H new ATOM 922 N ILE A 58 8.162 -9.279 1.722 1.00 0.00 N ATOM 923 CA ILE A 58 9.109 -10.196 2.335 1.00 0.00 C ATOM 924 C ILE A 58 8.449 -11.545 2.599 1.00 0.00 C ATOM 925 O ILE A 58 7.399 -11.615 3.241 1.00 0.00 O ATOM 926 CB ILE A 58 9.670 -9.626 3.651 1.00 0.00 C ATOM 927 CG1 ILE A 58 10.059 -8.158 3.463 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.868 -10.441 4.117 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.078 -7.185 4.083 1.00 0.00 C ATOM 0 H ILE A 58 7.377 -9.028 2.323 1.00 0.00 H new ATOM 0 HA ILE A 58 9.937 -10.330 1.638 1.00 0.00 H new ATOM 0 HB ILE A 58 8.897 -9.687 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.045 -7.994 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 58 10.142 -7.947 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.252 -10.024 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.563 -11.475 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.648 -10.409 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.419 -6.164 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.096 -7.321 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.012 -7.368 5.155 1.00 0.00 H new ATOM 941 N GLN A 59 9.057 -12.612 2.095 1.00 0.00 N ATOM 942 CA GLN A 59 8.510 -13.954 2.271 1.00 0.00 C ATOM 943 C GLN A 59 9.476 -14.849 3.040 1.00 0.00 C ATOM 944 O GLN A 59 10.571 -14.424 3.413 1.00 0.00 O ATOM 945 CB GLN A 59 8.186 -14.581 0.914 1.00 0.00 C ATOM 946 CG GLN A 59 8.137 -13.576 -0.228 1.00 0.00 C ATOM 947 CD GLN A 59 7.691 -14.196 -1.541 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.171 -13.505 -2.419 1.00 0.00 O ATOM 949 NE2 GLN A 59 7.892 -15.501 -1.684 1.00 0.00 N ATOM 0 H GLN A 59 9.926 -12.576 1.563 1.00 0.00 H new ATOM 0 HA GLN A 59 7.592 -13.865 2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.934 -15.340 0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.225 -15.091 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.456 -12.767 0.036 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.124 -13.133 -0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.326 -16.036 -0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.612 -15.969 -2.546 1.00 0.00 H new ATOM 958 N GLN A 60 9.060 -16.090 3.272 1.00 0.00 N ATOM 959 CA GLN A 60 9.881 -17.054 3.995 1.00 0.00 C ATOM 960 C GLN A 60 11.137 -17.405 3.206 1.00 0.00 C ATOM 961 O GLN A 60 12.131 -17.859 3.773 1.00 0.00 O ATOM 962 CB GLN A 60 9.076 -18.322 4.282 1.00 0.00 C ATOM 963 CG GLN A 60 8.340 -18.861 3.066 1.00 0.00 C ATOM 964 CD GLN A 60 6.873 -19.131 3.342 1.00 0.00 C ATOM 965 OE1 GLN A 60 6.441 -19.154 4.495 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.100 -19.337 2.283 1.00 0.00 N ATOM 0 H GLN A 60 8.156 -16.452 2.968 1.00 0.00 H new ATOM 0 HA GLN A 60 10.184 -16.599 4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.748 -19.092 4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.354 -18.113 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.426 -18.146 2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.819 -19.783 2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.501 -19.309 1.346 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.105 -19.524 2.407 1.00 0.00 H new ATOM 975 N TYR A 61 11.085 -17.193 1.894 1.00 0.00 N ATOM 976 CA TYR A 61 12.221 -17.488 1.027 1.00 0.00 C ATOM 977 C TYR A 61 13.174 -16.299 0.957 1.00 0.00 C ATOM 978 O TYR A 61 14.237 -16.378 0.340 1.00 0.00 O ATOM 979 CB TYR A 61 11.738 -17.858 -0.377 1.00 0.00 C ATOM 980 CG TYR A 61 11.620 -19.350 -0.604 1.00 0.00 C ATOM 981 CD1 TYR A 61 10.644 -20.096 0.045 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.485 -20.012 -1.467 1.00 0.00 C ATOM 983 CE1 TYR A 61 10.534 -21.458 -0.159 1.00 0.00 C ATOM 984 CE2 TYR A 61 12.381 -21.373 -1.676 1.00 0.00 C ATOM 985 CZ TYR A 61 11.404 -22.092 -1.021 1.00 0.00 C ATOM 986 OH TYR A 61 11.297 -23.447 -1.227 1.00 0.00 O ATOM 0 H TYR A 61 10.270 -16.819 1.409 1.00 0.00 H new ATOM 0 HA TYR A 61 12.759 -18.336 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.767 -17.394 -0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.427 -17.441 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.960 -19.603 0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.251 -19.453 -1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.770 -22.024 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 61 13.062 -21.872 -2.350 1.00 0.00 H new ATOM 0 HH TYR A 61 11.984 -23.736 -1.863 1.00 0.00 H new ATOM 996 N GLY A 62 12.788 -15.201 1.599 1.00 0.00 N ATOM 997 CA GLY A 62 13.618 -14.011 1.606 1.00 0.00 C ATOM 998 C GLY A 62 13.480 -13.190 0.337 1.00 0.00 C ATOM 999 O GLY A 62 14.383 -12.432 -0.017 1.00 0.00 O ATOM 0 H GLY A 62 11.913 -15.114 2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.352 -13.393 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.661 -14.302 1.734 1.00 0.00 H new ATOM 1003 N HIS A 63 12.350 -13.339 -0.347 1.00 0.00 N ATOM 1004 CA HIS A 63 12.103 -12.599 -1.581 1.00 0.00 C ATOM 1005 C HIS A 63 11.955 -11.110 -1.300 1.00 0.00 C ATOM 1006 O HIS A 63 11.918 -10.688 -0.143 1.00 0.00 O ATOM 1007 CB HIS A 63 10.844 -13.121 -2.276 1.00 0.00 C ATOM 1008 CG HIS A 63 11.107 -14.246 -3.228 1.00 0.00 C ATOM 1009 ND1 HIS A 63 10.669 -15.521 -2.968 1.00 0.00 N ATOM 1010 CD2 HIS A 63 11.765 -14.236 -4.413 1.00 0.00 C ATOM 1011 CE1 HIS A 63 11.066 -16.256 -3.990 1.00 0.00 C ATOM 1012 NE2 HIS A 63 11.735 -15.520 -4.893 1.00 0.00 N ATOM 0 H HIS A 63 11.593 -13.963 -0.069 1.00 0.00 H new ATOM 0 HA HIS A 63 12.960 -12.747 -2.238 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.134 -13.455 -1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.372 -12.301 -2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.224 -13.381 -4.888 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.877 -17.315 -4.088 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.142 -15.852 -5.767 1.00 0.00 H new ATOM 1020 N GLN A 64 11.870 -10.318 -2.363 1.00 0.00 N ATOM 1021 CA GLN A 64 11.727 -8.874 -2.226 1.00 0.00 C ATOM 1022 C GLN A 64 10.907 -8.290 -3.372 1.00 0.00 C ATOM 1023 O GLN A 64 11.452 -7.900 -4.404 1.00 0.00 O ATOM 1024 CB GLN A 64 13.102 -8.210 -2.174 1.00 0.00 C ATOM 1025 CG GLN A 64 13.706 -8.175 -0.781 1.00 0.00 C ATOM 1026 CD GLN A 64 14.113 -6.778 -0.357 1.00 0.00 C ATOM 1027 OE1 GLN A 64 15.300 -6.455 -0.300 1.00 0.00 O ATOM 1028 NE2 GLN A 64 13.128 -5.939 -0.060 1.00 0.00 N ATOM 0 H GLN A 64 11.898 -10.651 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 64 11.198 -8.675 -1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.779 -8.743 -2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.019 -7.191 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.985 -8.572 -0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.578 -8.828 -0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.158 -6.249 -0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.341 -4.984 0.229 1.00 0.00 H new ATOM 1037 N GLU A 65 9.595 -8.227 -3.175 1.00 0.00 N ATOM 1038 CA GLU A 65 8.692 -7.684 -4.182 1.00 0.00 C ATOM 1039 C GLU A 65 8.298 -6.257 -3.823 1.00 0.00 C ATOM 1040 O GLU A 65 7.667 -6.021 -2.796 1.00 0.00 O ATOM 1041 CB GLU A 65 7.448 -8.565 -4.289 1.00 0.00 C ATOM 1042 CG GLU A 65 7.002 -8.827 -5.719 1.00 0.00 C ATOM 1043 CD GLU A 65 5.494 -8.796 -5.872 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.851 -9.838 -5.624 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.956 -7.732 -6.240 1.00 0.00 O ATOM 0 H GLU A 65 9.132 -8.546 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 65 9.202 -7.670 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.647 -9.519 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.631 -8.091 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.446 -8.080 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.377 -9.799 -6.041 1.00 0.00 H new ATOM 1052 N VAL A 66 8.682 -5.302 -4.662 1.00 0.00 N ATOM 1053 CA VAL A 66 8.373 -3.904 -4.394 1.00 0.00 C ATOM 1054 C VAL A 66 7.758 -3.203 -5.600 1.00 0.00 C ATOM 1055 O VAL A 66 8.182 -3.401 -6.738 1.00 0.00 O ATOM 1056 CB VAL A 66 9.630 -3.141 -3.937 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.787 -3.405 -4.883 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.349 -1.648 -3.817 1.00 0.00 C ATOM 0 H VAL A 66 9.202 -5.468 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 66 7.634 -3.899 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 66 9.910 -3.505 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.666 -2.857 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.008 -4.472 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.519 -3.075 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.253 -1.133 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.036 -1.258 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.556 -1.484 -3.087 1.00 0.00 H new ATOM 1068 N THR A 67 6.754 -2.374 -5.325 1.00 0.00 N ATOM 1069 CA THR A 67 6.060 -1.623 -6.363 1.00 0.00 C ATOM 1070 C THR A 67 5.805 -0.188 -5.913 1.00 0.00 C ATOM 1071 O THR A 67 5.217 0.044 -4.857 1.00 0.00 O ATOM 1072 CB THR A 67 4.716 -2.282 -6.722 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.921 -3.658 -7.066 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.051 -1.558 -7.884 1.00 0.00 C ATOM 0 H THR A 67 6.402 -2.206 -4.383 1.00 0.00 H new ATOM 0 HA THR A 67 6.702 -1.620 -7.244 1.00 0.00 H new ATOM 0 HB THR A 67 4.062 -2.218 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.061 -4.070 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.103 -2.042 -8.119 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.870 -0.519 -7.609 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.703 -1.594 -8.756 1.00 0.00 H new ATOM 1082 N ARG A 68 6.247 0.772 -6.718 1.00 0.00 N ATOM 1083 CA ARG A 68 6.061 2.184 -6.397 1.00 0.00 C ATOM 1084 C ARG A 68 4.679 2.658 -6.842 1.00 0.00 C ATOM 1085 O ARG A 68 4.143 2.179 -7.842 1.00 0.00 O ATOM 1086 CB ARG A 68 7.152 3.025 -7.063 1.00 0.00 C ATOM 1087 CG ARG A 68 8.501 2.325 -7.127 1.00 0.00 C ATOM 1088 CD ARG A 68 9.603 3.183 -6.531 1.00 0.00 C ATOM 1089 NE ARG A 68 10.299 2.505 -5.441 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.574 2.131 -5.499 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.288 2.361 -6.593 1.00 0.00 N ATOM 1092 NH2 ARG A 68 12.137 1.527 -4.461 1.00 0.00 N ATOM 0 H ARG A 68 6.736 0.600 -7.596 1.00 0.00 H new ATOM 0 HA ARG A 68 6.135 2.306 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.836 3.281 -8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.263 3.962 -6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.446 1.378 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.742 2.091 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.319 3.445 -7.310 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.176 4.116 -6.163 1.00 0.00 H new ATOM 0 HE ARG A 68 9.778 2.307 -4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.859 2.826 -7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.266 2.073 -6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.592 1.349 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.115 1.241 -4.506 1.00 0.00 H new ATOM 1106 N PHE A 69 4.100 3.593 -6.090 1.00 0.00 N ATOM 1107 CA PHE A 69 2.775 4.115 -6.408 1.00 0.00 C ATOM 1108 C PHE A 69 2.559 5.507 -5.823 1.00 0.00 C ATOM 1109 O PHE A 69 3.046 5.822 -4.737 1.00 0.00 O ATOM 1110 CB PHE A 69 1.692 3.167 -5.886 1.00 0.00 C ATOM 1111 CG PHE A 69 2.044 2.498 -4.584 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.215 3.242 -3.426 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.200 1.122 -4.520 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.536 2.626 -2.229 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.521 0.502 -3.327 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.690 1.255 -2.181 1.00 0.00 C ATOM 0 H PHE A 69 4.527 4.002 -5.259 1.00 0.00 H new ATOM 0 HA PHE A 69 2.707 4.189 -7.493 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.765 3.726 -5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.501 2.401 -6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.096 4.315 -3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.069 0.528 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.666 3.217 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.640 -0.571 -3.291 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.942 0.772 -1.249 1.00 0.00 H new ATOM 1126 N ASP A 70 1.801 6.324 -6.546 1.00 0.00 N ATOM 1127 CA ASP A 70 1.483 7.676 -6.105 1.00 0.00 C ATOM 1128 C ASP A 70 0.016 7.746 -5.697 1.00 0.00 C ATOM 1129 O ASP A 70 -0.870 7.443 -6.496 1.00 0.00 O ATOM 1130 CB ASP A 70 1.769 8.686 -7.219 1.00 0.00 C ATOM 1131 CG ASP A 70 3.086 8.417 -7.918 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.111 8.272 -7.218 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.095 8.349 -9.165 1.00 0.00 O ATOM 0 H ASP A 70 1.393 6.071 -7.446 1.00 0.00 H new ATOM 0 HA ASP A 70 2.109 7.925 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.960 8.656 -7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.782 9.692 -6.799 1.00 0.00 H new ATOM 1138 N PHE A 71 -0.239 8.120 -4.447 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.607 8.193 -3.949 1.00 0.00 C ATOM 1140 C PHE A 71 -1.899 9.531 -3.273 1.00 0.00 C ATOM 1141 O PHE A 71 -1.014 10.153 -2.683 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.867 7.042 -2.974 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.147 7.188 -1.662 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.162 6.751 -1.522 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.778 7.761 -0.570 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.825 6.884 -0.317 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.118 7.897 0.637 1.00 0.00 C ATOM 1148 CZ PHE A 71 0.184 7.459 0.763 1.00 0.00 C ATOM 0 H PHE A 71 0.477 8.375 -3.766 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.277 8.107 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.938 6.973 -2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.565 6.105 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.668 6.302 -2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.797 8.105 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.844 6.539 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.621 8.346 1.481 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.702 7.566 1.705 1.00 0.00 H new ATOM 1158 N THR A 72 -3.156 9.958 -3.363 1.00 0.00 N ATOM 1159 CA THR A 72 -3.598 11.211 -2.762 1.00 0.00 C ATOM 1160 C THR A 72 -5.004 11.061 -2.191 1.00 0.00 C ATOM 1161 O THR A 72 -5.716 10.111 -2.521 1.00 0.00 O ATOM 1162 CB THR A 72 -3.593 12.361 -3.787 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.470 12.048 -4.876 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.189 12.612 -4.318 1.00 0.00 C ATOM 0 H THR A 72 -3.892 9.448 -3.852 1.00 0.00 H new ATOM 0 HA THR A 72 -2.898 11.451 -1.962 1.00 0.00 H new ATOM 0 HB THR A 72 -3.940 13.265 -3.286 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.464 12.784 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.214 13.429 -5.040 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.530 12.878 -3.492 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.817 11.710 -4.803 1.00 0.00 H new