USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 12 SER OG : rot 51:sc= 0.17 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 150:sc= -2.15 (180deg=-3.57!) USER MOD Single : A 22 THR OG1 : rot -62:sc= 1.26 USER MOD Single : A 30 ASN : amide:sc=-0.000458 K(o=-0.00046,f=-3.9!) USER MOD Single : A 31 THR OG1 : rot -124:sc= -0.749 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 135:sc= -1.17 (180deg=-3.77!) USER MOD Single : A 58 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.0068) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 14:sc= 0.436 USER MOD Single : A 63 SER OG : rot 1:sc= 0.558 USER MOD Single : A 68 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.4!) USER MOD Single : A 69 SER OG : rot 57:sc= 1.25 USER MOD Single : A 72 SER OG : rot 79:sc= 0.372 USER MOD Single : A 77 HIS : no HD1:sc= 0.47 K(o=0.47,f=-3.7!) USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 1.27 (180deg=-0.216) USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= -0.0498 (180deg=-0.358) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.19) USER MOD Single : A 90 TYR OH : rot 172:sc= -0.292 USER MOD Single : A 92 GLN : amide:sc= -0.0456 X(o=-0.046,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 7.148 11.779 -10.592 1.00 0.00 N ATOM 175 CA ARG A 11 6.367 11.497 -9.392 1.00 0.00 C ATOM 176 C ARG A 11 5.454 10.290 -9.580 1.00 0.00 C ATOM 177 O ARG A 11 4.977 9.708 -8.605 1.00 0.00 O ATOM 178 CB ARG A 11 5.556 12.729 -8.994 1.00 0.00 C ATOM 179 CG ARG A 11 6.426 13.934 -8.675 1.00 0.00 C ATOM 180 CD ARG A 11 7.413 13.625 -7.559 1.00 0.00 C ATOM 181 NE ARG A 11 6.731 13.304 -6.305 1.00 0.00 N ATOM 182 CZ ARG A 11 7.017 12.249 -5.540 1.00 0.00 C ATOM 183 NH1 ARG A 11 7.969 11.392 -5.897 1.00 0.00 N ATOM 184 NH2 ARG A 11 6.351 12.051 -4.412 1.00 0.00 N ATOM 0 HA ARG A 11 7.063 11.253 -8.590 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.873 12.985 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.944 12.489 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.969 14.240 -9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.795 14.773 -8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.045 12.787 -7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.070 14.482 -7.407 1.00 0.00 H new ATOM 0 HE ARG A 11 5.987 13.929 -5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.488 11.538 -6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.180 10.589 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.621 12.705 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.568 11.245 -3.826 1.00 0.00 H new ATOM 198 N SER A 12 5.206 9.924 -10.827 1.00 0.00 N ATOM 199 CA SER A 12 4.496 8.697 -11.129 1.00 0.00 C ATOM 200 C SER A 12 5.402 7.508 -10.831 1.00 0.00 C ATOM 201 O SER A 12 6.393 7.285 -11.531 1.00 0.00 O ATOM 202 CB SER A 12 4.067 8.699 -12.594 1.00 0.00 C ATOM 203 OG SER A 12 5.132 9.134 -13.422 1.00 0.00 O ATOM 0 H SER A 12 5.488 10.462 -11.646 1.00 0.00 H new ATOM 0 HA SER A 12 3.602 8.622 -10.510 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.755 7.697 -12.889 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.205 9.353 -12.726 1.00 0.00 H new ATOM 0 HG SER A 12 5.942 8.625 -13.208 1.00 0.00 H new ATOM 209 N VAL A 13 5.074 6.759 -9.786 1.00 0.00 N ATOM 210 CA VAL A 13 5.942 5.689 -9.317 1.00 0.00 C ATOM 211 C VAL A 13 5.918 4.500 -10.264 1.00 0.00 C ATOM 212 O VAL A 13 4.855 4.025 -10.673 1.00 0.00 O ATOM 213 CB VAL A 13 5.584 5.230 -7.885 1.00 0.00 C ATOM 214 CG1 VAL A 13 5.876 6.337 -6.887 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.125 4.799 -7.789 1.00 0.00 C ATOM 0 H VAL A 13 4.215 6.873 -9.249 1.00 0.00 H new ATOM 0 HA VAL A 13 6.951 6.100 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 13 6.204 4.366 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.619 5.999 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.935 6.590 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.283 7.217 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.906 4.482 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.480 5.636 -8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.945 3.970 -8.473 1.00 0.00 H new ATOM 225 N THR A 14 7.101 4.050 -10.637 1.00 0.00 N ATOM 226 CA THR A 14 7.239 2.909 -11.513 1.00 0.00 C ATOM 227 C THR A 14 7.525 1.654 -10.698 1.00 0.00 C ATOM 228 O THR A 14 8.607 1.501 -10.131 1.00 0.00 O ATOM 229 CB THR A 14 8.368 3.132 -12.536 1.00 0.00 C ATOM 230 OG1 THR A 14 8.198 4.415 -13.161 1.00 0.00 O ATOM 231 CG2 THR A 14 8.363 2.035 -13.596 1.00 0.00 C ATOM 0 H THR A 14 7.986 4.464 -10.342 1.00 0.00 H new ATOM 0 HA THR A 14 6.301 2.783 -12.055 1.00 0.00 H new ATOM 0 HB THR A 14 9.325 3.100 -12.015 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.917 4.560 -13.811 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.169 2.213 -14.308 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.509 1.066 -13.118 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.408 2.040 -14.121 1.00 0.00 H new ATOM 239 N LEU A 15 6.540 0.774 -10.615 1.00 0.00 N ATOM 240 CA LEU A 15 6.699 -0.471 -9.885 1.00 0.00 C ATOM 241 C LEU A 15 7.580 -1.432 -10.676 1.00 0.00 C ATOM 242 O LEU A 15 7.648 -1.342 -11.903 1.00 0.00 O ATOM 243 CB LEU A 15 5.330 -1.108 -9.626 1.00 0.00 C ATOM 244 CG LEU A 15 4.346 -0.240 -8.839 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.998 -0.932 -8.729 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.890 0.078 -7.456 1.00 0.00 C ATOM 0 H LEU A 15 5.623 0.900 -11.044 1.00 0.00 H new ATOM 0 HA LEU A 15 7.176 -0.259 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.878 -1.363 -10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.478 -2.043 -9.085 1.00 0.00 H new ATOM 0 HG LEU A 15 4.215 0.698 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.310 -0.301 -8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.596 -1.107 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.119 -1.885 -8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.173 0.696 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.055 -0.850 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.833 0.616 -7.551 1.00 0.00 H new ATOM 258 N PRO A 16 8.257 -2.376 -9.990 1.00 0.00 N ATOM 259 CA PRO A 16 9.083 -3.405 -10.649 1.00 0.00 C ATOM 260 C PRO A 16 8.253 -4.309 -11.561 1.00 0.00 C ATOM 261 O PRO A 16 8.787 -5.166 -12.269 1.00 0.00 O ATOM 262 CB PRO A 16 9.668 -4.209 -9.481 1.00 0.00 C ATOM 263 CG PRO A 16 8.782 -3.912 -8.319 1.00 0.00 C ATOM 264 CD PRO A 16 8.294 -2.506 -8.522 1.00 0.00 C ATOM 0 HA PRO A 16 9.844 -2.965 -11.294 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.680 -5.276 -9.704 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.697 -3.914 -9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.948 -4.612 -8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.326 -4.005 -7.379 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.310 -2.352 -8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.965 -1.776 -8.069 1.00 0.00 H new ATOM 272 N ASP A 17 6.944 -4.108 -11.517 1.00 0.00 N ATOM 273 CA ASP A 17 6.012 -4.801 -12.389 1.00 0.00 C ATOM 274 C ASP A 17 6.051 -4.211 -13.796 1.00 0.00 C ATOM 275 O ASP A 17 6.098 -4.940 -14.789 1.00 0.00 O ATOM 276 CB ASP A 17 4.595 -4.699 -11.817 1.00 0.00 C ATOM 277 CG ASP A 17 3.524 -4.892 -12.869 1.00 0.00 C ATOM 278 OD1 ASP A 17 3.146 -6.049 -13.144 1.00 0.00 O ATOM 279 OD2 ASP A 17 3.059 -3.881 -13.433 1.00 0.00 O ATOM 0 H ASP A 17 6.498 -3.456 -10.872 1.00 0.00 H new ATOM 0 HA ASP A 17 6.303 -5.850 -12.448 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.469 -5.447 -11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.466 -3.723 -11.348 1.00 0.00 H new ATOM 284 N GLY A 18 6.052 -2.885 -13.869 1.00 0.00 N ATOM 285 CA GLY A 18 6.009 -2.211 -15.149 1.00 0.00 C ATOM 286 C GLY A 18 4.901 -1.180 -15.212 1.00 0.00 C ATOM 287 O GLY A 18 4.957 -0.238 -16.005 1.00 0.00 O ATOM 0 H GLY A 18 6.082 -2.264 -13.060 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.967 -1.725 -15.335 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.865 -2.946 -15.941 1.00 0.00 H new ATOM 291 N SER A 19 3.881 -1.363 -14.387 1.00 0.00 N ATOM 292 CA SER A 19 2.779 -0.418 -14.321 1.00 0.00 C ATOM 293 C SER A 19 3.165 0.789 -13.466 1.00 0.00 C ATOM 294 O SER A 19 3.795 0.644 -12.414 1.00 0.00 O ATOM 295 CB SER A 19 1.529 -1.101 -13.754 1.00 0.00 C ATOM 296 OG SER A 19 0.378 -0.275 -13.858 1.00 0.00 O ATOM 0 H SER A 19 3.794 -2.158 -13.754 1.00 0.00 H new ATOM 0 HA SER A 19 2.556 -0.069 -15.329 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.354 -2.036 -14.286 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.698 -1.357 -12.708 1.00 0.00 H new ATOM 0 HG SER A 19 -0.397 -0.746 -13.488 1.00 0.00 H new ATOM 302 N ILE A 20 2.808 1.975 -13.937 1.00 0.00 N ATOM 303 CA ILE A 20 3.061 3.200 -13.194 1.00 0.00 C ATOM 304 C ILE A 20 1.812 3.644 -12.445 1.00 0.00 C ATOM 305 O ILE A 20 0.687 3.469 -12.923 1.00 0.00 O ATOM 306 CB ILE A 20 3.584 4.337 -14.114 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.735 4.485 -15.388 1.00 0.00 C ATOM 308 CG2 ILE A 20 5.038 4.087 -14.481 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.489 5.331 -15.219 1.00 0.00 C ATOM 0 H ILE A 20 2.341 2.115 -14.833 1.00 0.00 H new ATOM 0 HA ILE A 20 3.844 2.984 -12.467 1.00 0.00 H new ATOM 0 HB ILE A 20 3.505 5.271 -13.557 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.353 4.923 -16.172 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.441 3.493 -15.731 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.394 4.890 -15.126 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.642 4.055 -13.574 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.122 3.136 -15.006 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.952 5.381 -16.166 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.846 4.884 -14.461 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.772 6.337 -14.909 1.00 0.00 H new ATOM 321 N MET A 21 2.008 4.197 -11.260 1.00 0.00 N ATOM 322 CA MET A 21 0.895 4.655 -10.451 1.00 0.00 C ATOM 323 C MET A 21 1.059 6.120 -10.079 1.00 0.00 C ATOM 324 O MET A 21 2.138 6.554 -9.668 1.00 0.00 O ATOM 325 CB MET A 21 0.758 3.814 -9.179 1.00 0.00 C ATOM 326 CG MET A 21 0.262 2.398 -9.421 1.00 0.00 C ATOM 327 SD MET A 21 0.012 1.489 -7.884 1.00 0.00 S ATOM 328 CE MET A 21 -1.145 2.570 -7.046 1.00 0.00 C ATOM 0 H MET A 21 2.926 4.339 -10.839 1.00 0.00 H new ATOM 0 HA MET A 21 -0.010 4.542 -11.047 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.726 3.768 -8.681 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.072 4.316 -8.497 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.675 2.434 -9.976 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.981 1.865 -10.043 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.790 1.979 -6.396 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.596 3.297 -6.448 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.754 3.093 -7.783 1.00 0.00 H new ATOM 338 N THR A 22 -0.008 6.878 -10.242 1.00 0.00 N ATOM 339 CA THR A 22 -0.035 8.268 -9.828 1.00 0.00 C ATOM 340 C THR A 22 -0.979 8.428 -8.646 1.00 0.00 C ATOM 341 O THR A 22 -1.587 7.454 -8.193 1.00 0.00 O ATOM 342 CB THR A 22 -0.501 9.191 -10.971 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.830 8.838 -11.381 1.00 0.00 O ATOM 344 CG2 THR A 22 0.442 9.102 -12.162 1.00 0.00 C ATOM 0 H THR A 22 -0.877 6.550 -10.663 1.00 0.00 H new ATOM 0 HA THR A 22 0.979 8.553 -9.548 1.00 0.00 H new ATOM 0 HB THR A 22 -0.496 10.216 -10.600 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.833 7.921 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.091 9.763 -12.954 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.444 9.403 -11.856 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.468 8.076 -12.530 1.00 0.00 H new ATOM 352 N ARG A 23 -1.129 9.648 -8.152 1.00 0.00 N ATOM 353 CA ARG A 23 -2.060 9.897 -7.064 1.00 0.00 C ATOM 354 C ARG A 23 -3.481 10.043 -7.630 1.00 0.00 C ATOM 355 O ARG A 23 -4.421 10.407 -6.930 1.00 0.00 O ATOM 356 CB ARG A 23 -1.628 11.137 -6.262 1.00 0.00 C ATOM 357 CG ARG A 23 -1.968 11.056 -4.774 1.00 0.00 C ATOM 358 CD ARG A 23 -3.399 11.484 -4.496 1.00 0.00 C ATOM 359 NE ARG A 23 -3.980 10.800 -3.338 1.00 0.00 N ATOM 360 CZ ARG A 23 -5.112 10.088 -3.399 1.00 0.00 C ATOM 361 NH1 ARG A 23 -5.754 9.967 -4.553 1.00 0.00 N ATOM 362 NH2 ARG A 23 -5.598 9.499 -2.313 1.00 0.00 N ATOM 0 H ARG A 23 -0.625 10.471 -8.483 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.056 9.053 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.552 11.274 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.107 12.019 -6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.820 10.035 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.283 11.690 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.425 12.561 -4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.011 11.284 -5.376 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.498 10.870 -2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.385 10.416 -5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.617 9.425 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.108 9.587 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.461 8.959 -2.369 1.00 0.00 H new ATOM 376 N ALA A 24 -3.624 9.754 -8.918 1.00 0.00 N ATOM 377 CA ALA A 24 -4.937 9.665 -9.542 1.00 0.00 C ATOM 378 C ALA A 24 -5.430 8.222 -9.504 1.00 0.00 C ATOM 379 O ALA A 24 -6.633 7.957 -9.478 1.00 0.00 O ATOM 380 CB ALA A 24 -4.881 10.178 -10.975 1.00 0.00 C ATOM 0 H ALA A 24 -2.844 9.577 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.637 10.289 -8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.870 10.104 -11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.558 11.219 -10.976 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.175 9.578 -11.549 1.00 0.00 H new ATOM 386 N ASP A 25 -4.477 7.291 -9.489 1.00 0.00 N ATOM 387 CA ASP A 25 -4.778 5.864 -9.406 1.00 0.00 C ATOM 388 C ASP A 25 -5.122 5.491 -7.971 1.00 0.00 C ATOM 389 O ASP A 25 -5.989 4.652 -7.721 1.00 0.00 O ATOM 390 CB ASP A 25 -3.577 5.027 -9.870 1.00 0.00 C ATOM 391 CG ASP A 25 -3.146 5.333 -11.292 1.00 0.00 C ATOM 392 OD1 ASP A 25 -2.322 6.253 -11.481 1.00 0.00 O ATOM 393 OD2 ASP A 25 -3.611 4.648 -12.224 1.00 0.00 O ATOM 0 H ASP A 25 -3.480 7.504 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.627 5.656 -10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.738 5.204 -9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.829 3.969 -9.794 1.00 0.00 H new ATOM 398 N LEU A 26 -4.425 6.130 -7.039 1.00 0.00 N ATOM 399 CA LEU A 26 -4.617 5.892 -5.615 1.00 0.00 C ATOM 400 C LEU A 26 -6.024 6.339 -5.203 1.00 0.00 C ATOM 401 O LEU A 26 -6.414 7.477 -5.458 1.00 0.00 O ATOM 402 CB LEU A 26 -3.540 6.658 -4.818 1.00 0.00 C ATOM 403 CG LEU A 26 -3.159 6.083 -3.442 1.00 0.00 C ATOM 404 CD1 LEU A 26 -4.286 6.253 -2.434 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.772 4.618 -3.563 1.00 0.00 C ATOM 0 H LEU A 26 -3.711 6.827 -7.250 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.518 4.828 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.638 6.709 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.886 7.682 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.299 6.644 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.982 5.836 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.510 7.313 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.175 5.732 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.506 4.230 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.613 4.051 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.919 4.521 -4.234 1.00 0.00 H new ATOM 417 N PRO A 27 -6.807 5.429 -4.597 1.00 0.00 N ATOM 418 CA PRO A 27 -8.166 5.728 -4.119 1.00 0.00 C ATOM 419 C PRO A 27 -8.238 6.992 -3.258 1.00 0.00 C ATOM 420 O PRO A 27 -7.417 7.192 -2.359 1.00 0.00 O ATOM 421 CB PRO A 27 -8.515 4.494 -3.285 1.00 0.00 C ATOM 422 CG PRO A 27 -7.740 3.396 -3.921 1.00 0.00 C ATOM 423 CD PRO A 27 -6.440 4.020 -4.343 1.00 0.00 C ATOM 0 HA PRO A 27 -8.850 5.923 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.235 4.627 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.585 4.289 -3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.574 2.576 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.274 2.982 -4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.682 3.936 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.035 3.542 -5.235 1.00 0.00 H new ATOM 431 N PRO A 28 -9.219 7.870 -3.545 1.00 0.00 N ATOM 432 CA PRO A 28 -9.446 9.101 -2.773 1.00 0.00 C ATOM 433 C PRO A 28 -9.566 8.837 -1.280 1.00 0.00 C ATOM 434 O PRO A 28 -8.861 9.433 -0.466 1.00 0.00 O ATOM 435 CB PRO A 28 -10.781 9.615 -3.315 1.00 0.00 C ATOM 436 CG PRO A 28 -10.858 9.082 -4.700 1.00 0.00 C ATOM 437 CD PRO A 28 -10.171 7.744 -4.667 1.00 0.00 C ATOM 0 HA PRO A 28 -8.618 9.802 -2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.616 9.264 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.818 10.704 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.894 8.981 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.369 9.755 -5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.880 6.933 -4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.659 7.533 -5.606 1.00 0.00 H new ATOM 445 N ALA A 29 -10.473 7.934 -0.938 1.00 0.00 N ATOM 446 CA ALA A 29 -10.703 7.549 0.443 1.00 0.00 C ATOM 447 C ALA A 29 -11.301 6.153 0.496 1.00 0.00 C ATOM 448 O ALA A 29 -10.849 5.301 1.252 1.00 0.00 O ATOM 449 CB ALA A 29 -11.626 8.546 1.132 1.00 0.00 C ATOM 0 H ALA A 29 -11.068 7.449 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.749 7.548 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.786 8.240 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.171 9.536 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.583 8.577 0.611 1.00 0.00 H new ATOM 455 N ASN A 30 -12.329 5.931 -0.318 1.00 0.00 N ATOM 456 CA ASN A 30 -12.985 4.624 -0.388 1.00 0.00 C ATOM 457 C ASN A 30 -13.092 4.147 -1.834 1.00 0.00 C ATOM 458 O ASN A 30 -13.617 3.068 -2.091 1.00 0.00 O ATOM 459 CB ASN A 30 -14.387 4.691 0.228 1.00 0.00 C ATOM 460 CG ASN A 30 -15.345 5.538 -0.592 1.00 0.00 C ATOM 461 OD1 ASN A 30 -14.946 6.520 -1.224 1.00 0.00 O ATOM 462 ND2 ASN A 30 -16.611 5.151 -0.606 1.00 0.00 N ATOM 0 H ASN A 30 -12.727 6.636 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.377 3.917 0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.788 3.682 0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.318 5.100 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.297 5.671 -1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.900 4.333 -0.069 1.00 0.00 H new ATOM 469 N THR A 31 -12.572 4.972 -2.752 1.00 0.00 N ATOM 470 CA THR A 31 -12.660 4.783 -4.212 1.00 0.00 C ATOM 471 C THR A 31 -14.117 4.753 -4.718 1.00 0.00 C ATOM 472 O THR A 31 -14.479 5.541 -5.594 1.00 0.00 O ATOM 473 CB THR A 31 -11.831 3.564 -4.743 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.560 3.733 -6.138 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.520 2.217 -4.553 1.00 0.00 C ATOM 0 H THR A 31 -12.062 5.817 -2.494 1.00 0.00 H new ATOM 0 HA THR A 31 -12.189 5.668 -4.639 1.00 0.00 H new ATOM 0 HB THR A 31 -10.915 3.549 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.891 2.954 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.883 1.424 -4.946 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.699 2.046 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.471 2.216 -5.086 1.00 0.00 H new ATOM 483 N ARG A 32 -14.948 3.885 -4.145 1.00 0.00 N ATOM 484 CA ARG A 32 -16.356 3.773 -4.511 1.00 0.00 C ATOM 485 C ARG A 32 -16.985 2.622 -3.740 1.00 0.00 C ATOM 486 O ARG A 32 -17.913 2.816 -2.957 1.00 0.00 O ATOM 487 CB ARG A 32 -16.526 3.551 -6.026 1.00 0.00 C ATOM 488 CG ARG A 32 -17.944 3.787 -6.530 1.00 0.00 C ATOM 489 CD ARG A 32 -18.835 2.575 -6.322 1.00 0.00 C ATOM 490 NE ARG A 32 -20.250 2.892 -6.510 1.00 0.00 N ATOM 491 CZ ARG A 32 -21.011 2.377 -7.473 1.00 0.00 C ATOM 492 NH1 ARG A 32 -20.478 1.603 -8.411 1.00 0.00 N ATOM 493 NH2 ARG A 32 -22.302 2.672 -7.510 1.00 0.00 N ATOM 0 H ARG A 32 -14.661 3.237 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.856 4.707 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.846 4.216 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.230 2.531 -6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -18.374 4.645 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.914 4.036 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.545 1.789 -7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.683 2.182 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.682 3.550 -5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.479 1.399 -8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.068 1.212 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.705 3.289 -6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.893 2.282 -8.244 1.00 0.00 H new ATOM 507 N ARG A 33 -16.478 1.421 -3.976 1.00 0.00 N ATOM 508 CA ARG A 33 -16.957 0.235 -3.277 1.00 0.00 C ATOM 509 C ARG A 33 -15.787 -0.679 -2.911 1.00 0.00 C ATOM 510 O ARG A 33 -15.975 -1.753 -2.336 1.00 0.00 O ATOM 511 CB ARG A 33 -17.961 -0.509 -4.159 1.00 0.00 C ATOM 512 CG ARG A 33 -18.642 -1.681 -3.474 1.00 0.00 C ATOM 513 CD ARG A 33 -19.533 -2.436 -4.438 1.00 0.00 C ATOM 514 NE ARG A 33 -20.651 -1.620 -4.906 1.00 0.00 N ATOM 515 CZ ARG A 33 -21.054 -1.561 -6.172 1.00 0.00 C ATOM 516 NH1 ARG A 33 -20.341 -2.147 -7.130 1.00 0.00 N ATOM 517 NH2 ARG A 33 -22.143 -0.876 -6.488 1.00 0.00 N ATOM 0 H ARG A 33 -15.732 1.241 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.451 0.540 -2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -18.723 0.194 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -17.447 -0.872 -5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.889 -2.355 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -19.235 -1.320 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.943 -2.767 -5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -19.918 -3.332 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 33 -21.154 -1.060 -4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.482 -2.644 -6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.653 -2.099 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.672 -0.394 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -22.453 -0.830 -7.459 1.00 0.00 H new ATOM 531 N TRP A 34 -14.578 -0.218 -3.231 1.00 0.00 N ATOM 532 CA TRP A 34 -13.350 -0.981 -3.000 1.00 0.00 C ATOM 533 C TRP A 34 -13.297 -2.254 -3.836 1.00 0.00 C ATOM 534 O TRP A 34 -13.848 -3.287 -3.453 1.00 0.00 O ATOM 535 CB TRP A 34 -13.181 -1.344 -1.522 1.00 0.00 C ATOM 536 CG TRP A 34 -12.747 -0.206 -0.660 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.467 0.401 0.327 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.484 0.459 -0.707 1.00 0.00 C ATOM 539 NE1 TRP A 34 -12.723 1.398 0.902 1.00 0.00 N ATOM 540 CE2 TRP A 34 -11.503 1.457 0.282 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.339 0.307 -1.491 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -10.418 2.296 0.510 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.264 1.140 -1.265 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.310 2.126 -0.273 1.00 0.00 C ATOM 0 H TRP A 34 -14.422 0.695 -3.658 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.531 -0.330 -3.306 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.127 -1.732 -1.144 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.450 -2.148 -1.438 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.474 0.135 0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.028 1.999 1.668 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.296 -0.449 -2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.449 3.055 1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.372 1.030 -1.863 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.453 2.766 -0.123 1.00 0.00 H new ATOM 555 N VAL A 35 -12.639 -2.178 -4.982 1.00 0.00 N ATOM 556 CA VAL A 35 -12.350 -3.371 -5.762 1.00 0.00 C ATOM 557 C VAL A 35 -11.024 -3.964 -5.296 1.00 0.00 C ATOM 558 O VAL A 35 -10.118 -3.224 -4.895 1.00 0.00 O ATOM 559 CB VAL A 35 -12.304 -3.091 -7.281 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.684 -2.723 -7.797 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.308 -1.991 -7.608 1.00 0.00 C ATOM 0 H VAL A 35 -12.297 -1.308 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.161 -4.081 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.975 -4.003 -7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.632 -2.529 -8.868 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.374 -3.546 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.038 -1.829 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.298 -1.817 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.597 -1.074 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.313 -2.292 -7.280 1.00 0.00 H new ATOM 571 N ALA A 36 -10.924 -5.287 -5.329 1.00 0.00 N ATOM 572 CA ALA A 36 -9.754 -5.997 -4.817 1.00 0.00 C ATOM 573 C ALA A 36 -8.463 -5.467 -5.423 1.00 0.00 C ATOM 574 O ALA A 36 -7.509 -5.171 -4.702 1.00 0.00 O ATOM 575 CB ALA A 36 -9.886 -7.489 -5.081 1.00 0.00 C ATOM 0 H ALA A 36 -11.647 -5.898 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.709 -5.826 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.008 -8.006 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.779 -7.869 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.966 -7.663 -6.154 1.00 0.00 H new ATOM 581 N SER A 37 -8.447 -5.322 -6.739 1.00 0.00 N ATOM 582 CA SER A 37 -7.266 -4.851 -7.447 1.00 0.00 C ATOM 583 C SER A 37 -6.810 -3.479 -6.945 1.00 0.00 C ATOM 584 O SER A 37 -5.615 -3.192 -6.901 1.00 0.00 O ATOM 585 CB SER A 37 -7.547 -4.793 -8.949 1.00 0.00 C ATOM 586 OG SER A 37 -8.018 -6.043 -9.425 1.00 0.00 O ATOM 0 H SER A 37 -9.244 -5.525 -7.342 1.00 0.00 H new ATOM 0 HA SER A 37 -6.459 -5.558 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.286 -4.019 -9.155 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.638 -4.515 -9.483 1.00 0.00 H new ATOM 0 HG SER A 37 -8.193 -5.982 -10.387 1.00 0.00 H new ATOM 592 N ARG A 38 -7.759 -2.638 -6.539 1.00 0.00 N ATOM 593 CA ARG A 38 -7.419 -1.287 -6.120 1.00 0.00 C ATOM 594 C ARG A 38 -7.011 -1.259 -4.653 1.00 0.00 C ATOM 595 O ARG A 38 -6.286 -0.367 -4.235 1.00 0.00 O ATOM 596 CB ARG A 38 -8.564 -0.312 -6.392 1.00 0.00 C ATOM 597 CG ARG A 38 -8.078 1.108 -6.630 1.00 0.00 C ATOM 598 CD ARG A 38 -9.150 1.979 -7.261 1.00 0.00 C ATOM 599 NE ARG A 38 -8.593 3.237 -7.765 1.00 0.00 N ATOM 600 CZ ARG A 38 -9.150 3.972 -8.729 1.00 0.00 C ATOM 601 NH1 ARG A 38 -10.308 3.608 -9.269 1.00 0.00 N ATOM 602 NH2 ARG A 38 -8.547 5.074 -9.152 1.00 0.00 N ATOM 0 H ARG A 38 -8.752 -2.866 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.565 -0.962 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.126 -0.651 -7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.252 -0.320 -5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.765 1.547 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.201 1.087 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.626 1.437 -8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.926 2.192 -6.526 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.723 3.573 -7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.777 2.762 -8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.728 4.175 -10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.658 5.359 -8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.972 5.637 -9.889 1.00 0.00 H new ATOM 616 N LYS A 39 -7.474 -2.238 -3.875 1.00 0.00 N ATOM 617 CA LYS A 39 -6.983 -2.410 -2.504 1.00 0.00 C ATOM 618 C LYS A 39 -5.479 -2.671 -2.537 1.00 0.00 C ATOM 619 O LYS A 39 -4.694 -2.025 -1.834 1.00 0.00 O ATOM 620 CB LYS A 39 -7.697 -3.577 -1.805 1.00 0.00 C ATOM 621 CG LYS A 39 -9.134 -3.289 -1.391 1.00 0.00 C ATOM 622 CD LYS A 39 -9.783 -4.520 -0.770 1.00 0.00 C ATOM 623 CE LYS A 39 -11.154 -4.213 -0.181 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.065 -3.385 1.055 1.00 0.00 N ATOM 0 H LYS A 39 -8.179 -2.916 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.191 -1.499 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.691 -4.440 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.127 -3.855 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.152 -2.465 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.709 -2.970 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.881 -5.298 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.134 -4.915 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.757 -3.690 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.667 -5.147 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.022 -3.202 1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.512 -3.893 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.599 -2.481 0.835 1.00 0.00 H new ATOM 638 N ILE A 40 -5.096 -3.610 -3.392 1.00 0.00 N ATOM 639 CA ILE A 40 -3.701 -3.941 -3.624 1.00 0.00 C ATOM 640 C ILE A 40 -2.932 -2.717 -4.130 1.00 0.00 C ATOM 641 O ILE A 40 -1.759 -2.522 -3.800 1.00 0.00 O ATOM 642 CB ILE A 40 -3.583 -5.117 -4.635 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.750 -6.467 -3.925 1.00 0.00 C ATOM 644 CG2 ILE A 40 -2.261 -5.078 -5.388 1.00 0.00 C ATOM 645 CD1 ILE A 40 -5.113 -6.698 -3.305 1.00 0.00 C ATOM 0 H ILE A 40 -5.749 -4.165 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.260 -4.254 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.387 -5.002 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.553 -7.265 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.994 -6.546 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.214 -5.915 -6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.184 -4.141 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.436 -5.150 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.134 -7.677 -2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.309 -5.927 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.877 -6.656 -4.081 1.00 0.00 H new ATOM 657 N ALA A 41 -3.605 -1.887 -4.916 1.00 0.00 N ATOM 658 CA ALA A 41 -2.999 -0.668 -5.428 1.00 0.00 C ATOM 659 C ALA A 41 -2.728 0.327 -4.301 1.00 0.00 C ATOM 660 O ALA A 41 -1.756 1.076 -4.353 1.00 0.00 O ATOM 661 CB ALA A 41 -3.881 -0.037 -6.499 1.00 0.00 C ATOM 0 H ALA A 41 -4.570 -2.037 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.043 -0.933 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.409 0.874 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.011 -0.739 -7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.854 0.206 -6.072 1.00 0.00 H new ATOM 667 N VAL A 42 -3.578 0.324 -3.274 1.00 0.00 N ATOM 668 CA VAL A 42 -3.408 1.245 -2.153 1.00 0.00 C ATOM 669 C VAL A 42 -2.120 0.942 -1.403 1.00 0.00 C ATOM 670 O VAL A 42 -1.277 1.821 -1.236 1.00 0.00 O ATOM 671 CB VAL A 42 -4.581 1.197 -1.150 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.437 2.292 -0.107 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.908 1.326 -1.858 1.00 0.00 C ATOM 0 H VAL A 42 -4.382 -0.299 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.374 2.244 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.553 0.229 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.273 2.242 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.502 2.156 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.433 3.265 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.716 1.289 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.945 2.276 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.023 0.507 -2.568 1.00 0.00 H new ATOM 683 N VAL A 43 -1.964 -0.310 -0.963 1.00 0.00 N ATOM 684 CA VAL A 43 -0.776 -0.702 -0.198 1.00 0.00 C ATOM 685 C VAL A 43 0.507 -0.465 -0.985 1.00 0.00 C ATOM 686 O VAL A 43 1.518 -0.040 -0.422 1.00 0.00 O ATOM 687 CB VAL A 43 -0.824 -2.170 0.279 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.621 -2.282 1.563 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.412 -3.081 -0.787 1.00 0.00 C ATOM 0 H VAL A 43 -2.636 -1.061 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.777 -0.063 0.685 1.00 0.00 H new ATOM 0 HB VAL A 43 0.200 -2.492 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.646 -3.323 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.153 -1.673 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.639 -1.931 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.431 -4.107 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.427 -2.760 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.800 -3.030 -1.687 1.00 0.00 H new ATOM 699 N ARG A 44 0.469 -0.724 -2.284 1.00 0.00 N ATOM 700 CA ARG A 44 1.625 -0.466 -3.132 1.00 0.00 C ATOM 701 C ARG A 44 1.849 1.035 -3.284 1.00 0.00 C ATOM 702 O ARG A 44 2.980 1.516 -3.201 1.00 0.00 O ATOM 703 CB ARG A 44 1.444 -1.115 -4.506 1.00 0.00 C ATOM 704 CG ARG A 44 1.475 -2.636 -4.471 1.00 0.00 C ATOM 705 CD ARG A 44 1.248 -3.230 -5.855 1.00 0.00 C ATOM 706 NE ARG A 44 1.413 -4.684 -5.865 1.00 0.00 N ATOM 707 CZ ARG A 44 0.946 -5.484 -6.822 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.249 -4.977 -7.836 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.170 -6.792 -6.758 1.00 0.00 N ATOM 0 H ARG A 44 -0.341 -1.109 -2.771 1.00 0.00 H new ATOM 0 HA ARG A 44 2.502 -0.905 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.494 -0.789 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.230 -0.759 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.436 -2.973 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.709 -3.001 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.244 -2.977 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.948 -2.782 -6.560 1.00 0.00 H new ATOM 0 HE ARG A 44 1.918 -5.112 -5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.071 -3.974 -7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.108 -5.592 -8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.698 -7.181 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.813 -7.407 -7.490 1.00 0.00 H new ATOM 723 N GLY A 45 0.760 1.767 -3.480 1.00 0.00 N ATOM 724 CA GLY A 45 0.842 3.200 -3.686 1.00 0.00 C ATOM 725 C GLY A 45 1.392 3.946 -2.487 1.00 0.00 C ATOM 726 O GLY A 45 2.157 4.894 -2.644 1.00 0.00 O ATOM 0 H GLY A 45 -0.187 1.389 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.474 3.400 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.151 3.584 -3.920 1.00 0.00 H new ATOM 730 N VAL A 46 1.007 3.537 -1.287 1.00 0.00 N ATOM 731 CA VAL A 46 1.481 4.214 -0.088 1.00 0.00 C ATOM 732 C VAL A 46 2.865 3.712 0.335 1.00 0.00 C ATOM 733 O VAL A 46 3.832 4.470 0.295 1.00 0.00 O ATOM 734 CB VAL A 46 0.480 4.109 1.094 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.773 4.916 0.792 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.106 2.664 1.407 1.00 0.00 C ATOM 0 H VAL A 46 0.378 2.752 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 46 1.563 5.269 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 46 0.976 4.517 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.468 4.835 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.505 5.962 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.245 4.530 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.596 2.642 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.357 2.210 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.003 2.105 1.674 1.00 0.00 H new ATOM 746 N ILE A 47 2.961 2.427 0.670 1.00 0.00 N ATOM 747 CA ILE A 47 4.163 1.862 1.283 1.00 0.00 C ATOM 748 C ILE A 47 5.375 1.956 0.358 1.00 0.00 C ATOM 749 O ILE A 47 6.504 2.175 0.811 1.00 0.00 O ATOM 750 CB ILE A 47 3.928 0.383 1.682 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.737 0.276 2.640 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.177 -0.219 2.314 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.375 -1.148 3.009 1.00 0.00 C ATOM 0 H ILE A 47 2.212 1.750 0.525 1.00 0.00 H new ATOM 0 HA ILE A 47 4.372 2.451 2.176 1.00 0.00 H new ATOM 0 HB ILE A 47 3.704 -0.183 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.964 0.831 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.871 0.754 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.984 -1.257 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.001 -0.177 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.441 0.346 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.523 -1.142 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.115 -1.703 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.225 -1.625 3.496 1.00 0.00 H new ATOM 765 N TYR A 48 5.144 1.799 -0.933 1.00 0.00 N ATOM 766 CA TYR A 48 6.227 1.838 -1.903 1.00 0.00 C ATOM 767 C TYR A 48 6.325 3.225 -2.533 1.00 0.00 C ATOM 768 O TYR A 48 7.401 3.648 -2.958 1.00 0.00 O ATOM 769 CB TYR A 48 5.993 0.771 -2.980 1.00 0.00 C ATOM 770 CG TYR A 48 7.181 0.511 -3.887 1.00 0.00 C ATOM 771 CD1 TYR A 48 7.364 1.237 -5.059 1.00 0.00 C ATOM 772 CD2 TYR A 48 8.107 -0.475 -3.578 1.00 0.00 C ATOM 773 CE1 TYR A 48 8.438 0.988 -5.894 1.00 0.00 C ATOM 774 CE2 TYR A 48 9.182 -0.731 -4.408 1.00 0.00 C ATOM 775 CZ TYR A 48 9.344 0.002 -5.564 1.00 0.00 C ATOM 776 OH TYR A 48 10.411 -0.255 -6.392 1.00 0.00 O ATOM 0 H TYR A 48 4.219 1.644 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 48 7.169 1.627 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.715 -0.163 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.145 1.074 -3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.655 2.008 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.986 -1.052 -2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 48 8.566 1.563 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.893 -1.503 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 48 10.953 -0.978 -6.013 1.00 0.00 H new ATOM 786 N GLY A 49 5.204 3.935 -2.567 1.00 0.00 N ATOM 787 CA GLY A 49 5.141 5.189 -3.289 1.00 0.00 C ATOM 788 C GLY A 49 5.256 6.427 -2.414 1.00 0.00 C ATOM 789 O GLY A 49 6.272 7.122 -2.453 1.00 0.00 O ATOM 0 H GLY A 49 4.336 3.663 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.940 5.208 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.199 5.232 -3.835 1.00 0.00 H new ATOM 793 N LEU A 50 4.220 6.710 -1.628 1.00 0.00 N ATOM 794 CA LEU A 50 4.106 8.011 -0.974 1.00 0.00 C ATOM 795 C LEU A 50 4.414 7.965 0.522 1.00 0.00 C ATOM 796 O LEU A 50 5.483 8.395 0.958 1.00 0.00 O ATOM 797 CB LEU A 50 2.706 8.614 -1.178 1.00 0.00 C ATOM 798 CG LEU A 50 2.407 9.174 -2.576 1.00 0.00 C ATOM 799 CD1 LEU A 50 1.961 8.079 -3.533 1.00 0.00 C ATOM 800 CD2 LEU A 50 1.351 10.264 -2.495 1.00 0.00 C ATOM 0 H LEU A 50 3.456 6.064 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 50 4.858 8.641 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.966 7.847 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.569 9.415 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 50 3.331 9.602 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.758 8.512 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.749 7.331 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.056 7.608 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.150 10.651 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.434 9.852 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.711 11.072 -1.858 1.00 0.00 H new ATOM 812 N ILE A 51 3.476 7.447 1.304 1.00 0.00 N ATOM 813 CA ILE A 51 3.522 7.613 2.754 1.00 0.00 C ATOM 814 C ILE A 51 3.556 6.281 3.496 1.00 0.00 C ATOM 815 O ILE A 51 3.245 5.233 2.937 1.00 0.00 O ATOM 816 CB ILE A 51 2.307 8.423 3.258 1.00 0.00 C ATOM 817 CG1 ILE A 51 0.999 7.742 2.826 1.00 0.00 C ATOM 818 CG2 ILE A 51 2.373 9.857 2.745 1.00 0.00 C ATOM 819 CD1 ILE A 51 -0.251 8.447 3.304 1.00 0.00 C ATOM 0 H ILE A 51 2.678 6.911 0.963 1.00 0.00 H new ATOM 0 HA ILE A 51 4.447 8.151 2.963 1.00 0.00 H new ATOM 0 HB ILE A 51 2.332 8.454 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.976 7.681 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.993 6.719 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.510 10.414 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.287 10.330 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.369 9.854 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.130 7.904 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.254 8.484 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.271 9.462 2.906 1.00 0.00 H new ATOM 831 N THR A 52 3.923 6.343 4.767 1.00 0.00 N ATOM 832 CA THR A 52 3.947 5.164 5.618 1.00 0.00 C ATOM 833 C THR A 52 2.545 4.846 6.131 1.00 0.00 C ATOM 834 O THR A 52 1.584 5.560 5.822 1.00 0.00 O ATOM 835 CB THR A 52 4.885 5.368 6.822 1.00 0.00 C ATOM 836 OG1 THR A 52 4.476 6.526 7.565 1.00 0.00 O ATOM 837 CG2 THR A 52 6.328 5.534 6.365 1.00 0.00 C ATOM 0 H THR A 52 4.210 7.203 5.234 1.00 0.00 H new ATOM 0 HA THR A 52 4.315 4.333 5.016 1.00 0.00 H new ATOM 0 HB THR A 52 4.825 4.485 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.074 6.651 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.971 5.677 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.643 4.642 5.823 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.405 6.402 5.710 1.00 0.00 H new ATOM 845 N LEU A 53 2.432 3.801 6.943 1.00 0.00 N ATOM 846 CA LEU A 53 1.148 3.412 7.507 1.00 0.00 C ATOM 847 C LEU A 53 0.752 4.366 8.629 1.00 0.00 C ATOM 848 O LEU A 53 -0.357 4.309 9.143 1.00 0.00 O ATOM 849 CB LEU A 53 1.202 1.967 8.019 1.00 0.00 C ATOM 850 CG LEU A 53 -0.104 1.424 8.606 1.00 0.00 C ATOM 851 CD1 LEU A 53 -1.227 1.487 7.581 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.095 0.002 9.104 1.00 0.00 C ATOM 0 H LEU A 53 3.214 3.210 7.224 1.00 0.00 H new ATOM 0 HA LEU A 53 0.392 3.468 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.506 1.320 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.978 1.899 8.781 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.389 2.050 9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.144 1.096 8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.384 2.522 7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.959 0.889 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.841 -0.372 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.404 -0.634 8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.864 -0.009 9.876 1.00 0.00 H new ATOM 864 N ALA A 54 1.664 5.247 9.009 1.00 0.00 N ATOM 865 CA ALA A 54 1.359 6.266 10.000 1.00 0.00 C ATOM 866 C ALA A 54 0.333 7.248 9.446 1.00 0.00 C ATOM 867 O ALA A 54 -0.775 7.363 9.966 1.00 0.00 O ATOM 868 CB ALA A 54 2.621 6.992 10.428 1.00 0.00 C ATOM 0 H ALA A 54 2.617 5.277 8.648 1.00 0.00 H new ATOM 0 HA ALA A 54 0.935 5.780 10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.371 7.750 11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.322 6.278 10.861 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.078 7.469 9.561 1.00 0.00 H new ATOM 874 N GLU A 55 0.693 7.923 8.360 1.00 0.00 N ATOM 875 CA GLU A 55 -0.208 8.872 7.718 1.00 0.00 C ATOM 876 C GLU A 55 -1.402 8.132 7.114 1.00 0.00 C ATOM 877 O GLU A 55 -2.542 8.598 7.176 1.00 0.00 O ATOM 878 CB GLU A 55 0.533 9.659 6.634 1.00 0.00 C ATOM 879 CG GLU A 55 -0.269 10.821 6.063 1.00 0.00 C ATOM 880 CD GLU A 55 -0.573 11.882 7.098 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.271 12.784 7.290 1.00 0.00 O ATOM 882 OE2 GLU A 55 -1.647 11.815 7.729 1.00 0.00 O ATOM 0 H GLU A 55 1.602 7.831 7.906 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.572 9.575 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.465 10.042 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.800 8.981 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.286 11.270 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.204 10.444 5.649 1.00 0.00 H new ATOM 889 N ALA A 56 -1.133 6.956 6.551 1.00 0.00 N ATOM 890 CA ALA A 56 -2.178 6.123 5.969 1.00 0.00 C ATOM 891 C ALA A 56 -3.105 5.564 7.037 1.00 0.00 C ATOM 892 O ALA A 56 -4.158 5.056 6.718 1.00 0.00 O ATOM 893 CB ALA A 56 -1.567 4.996 5.148 1.00 0.00 C ATOM 0 H ALA A 56 -0.196 6.559 6.486 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.775 6.753 5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.362 4.384 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.962 5.417 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.938 4.378 5.789 1.00 0.00 H new ATOM 899 N LYS A 57 -2.718 5.661 8.301 1.00 0.00 N ATOM 900 CA LYS A 57 -3.597 5.246 9.388 1.00 0.00 C ATOM 901 C LYS A 57 -4.484 6.409 9.800 1.00 0.00 C ATOM 902 O LYS A 57 -5.683 6.252 10.010 1.00 0.00 O ATOM 903 CB LYS A 57 -2.788 4.778 10.590 1.00 0.00 C ATOM 904 CG LYS A 57 -3.574 3.946 11.587 1.00 0.00 C ATOM 905 CD LYS A 57 -2.768 3.653 12.848 1.00 0.00 C ATOM 906 CE LYS A 57 -1.455 2.928 12.558 1.00 0.00 C ATOM 907 NZ LYS A 57 -0.407 3.837 12.014 1.00 0.00 N ATOM 0 H LYS A 57 -1.811 6.020 8.599 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.211 4.417 9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.939 4.193 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.383 5.651 11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.490 4.472 11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.872 3.007 11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.554 4.590 13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.370 3.047 13.526 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.089 2.465 13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.638 2.123 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.497 3.652 12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.297 3.669 10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.688 4.826 12.174 1.00 0.00 H new ATOM 921 N GLN A 58 -3.873 7.580 9.895 1.00 0.00 N ATOM 922 CA GLN A 58 -4.574 8.785 10.309 1.00 0.00 C ATOM 923 C GLN A 58 -5.678 9.142 9.317 1.00 0.00 C ATOM 924 O GLN A 58 -6.766 9.570 9.706 1.00 0.00 O ATOM 925 CB GLN A 58 -3.573 9.937 10.452 1.00 0.00 C ATOM 926 CG GLN A 58 -2.460 9.630 11.445 1.00 0.00 C ATOM 927 CD GLN A 58 -1.400 10.712 11.532 1.00 0.00 C ATOM 928 OE1 GLN A 58 -0.790 10.908 12.582 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.155 11.412 10.437 1.00 0.00 N ATOM 0 H GLN A 58 -2.884 7.721 9.689 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.047 8.605 11.275 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.135 10.155 9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.102 10.835 10.772 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.897 9.483 12.432 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.984 8.690 11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.680 11.223 9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.441 12.141 10.447 1.00 0.00 H new ATOM 938 N THR A 59 -5.401 8.949 8.037 1.00 0.00 N ATOM 939 CA THR A 59 -6.372 9.262 7.001 1.00 0.00 C ATOM 940 C THR A 59 -7.090 8.004 6.483 1.00 0.00 C ATOM 941 O THR A 59 -8.318 7.963 6.422 1.00 0.00 O ATOM 942 CB THR A 59 -5.700 9.997 5.824 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.953 11.122 6.312 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.739 10.476 4.817 1.00 0.00 C ATOM 0 H THR A 59 -4.516 8.579 7.692 1.00 0.00 H new ATOM 0 HA THR A 59 -7.118 9.914 7.455 1.00 0.00 H new ATOM 0 HB THR A 59 -5.028 9.298 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.527 11.583 5.559 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.240 10.991 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.289 9.620 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.432 11.160 5.307 1.00 0.00 H new ATOM 952 N TYR A 60 -6.323 6.982 6.117 1.00 0.00 N ATOM 953 CA TYR A 60 -6.870 5.806 5.444 1.00 0.00 C ATOM 954 C TYR A 60 -6.887 4.589 6.357 1.00 0.00 C ATOM 955 O TYR A 60 -6.964 3.475 5.870 1.00 0.00 O ATOM 956 CB TYR A 60 -6.068 5.473 4.183 1.00 0.00 C ATOM 957 CG TYR A 60 -6.031 6.593 3.169 1.00 0.00 C ATOM 958 CD1 TYR A 60 -7.044 6.733 2.233 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.983 7.505 3.148 1.00 0.00 C ATOM 960 CE1 TYR A 60 -7.018 7.753 1.303 1.00 0.00 C ATOM 961 CE2 TYR A 60 -4.951 8.530 2.222 1.00 0.00 C ATOM 962 CZ TYR A 60 -5.970 8.648 1.299 1.00 0.00 C ATOM 963 OH TYR A 60 -5.942 9.669 0.374 1.00 0.00 O ATOM 0 H TYR A 60 -5.316 6.943 6.275 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.896 6.052 5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.047 5.221 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.496 4.586 3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.867 6.033 2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.182 7.411 3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.816 7.849 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.133 9.235 2.221 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.823 9.754 -0.046 1.00 0.00 H new ATOM 973 N GLY A 61 -6.781 4.816 7.667 1.00 0.00 N ATOM 974 CA GLY A 61 -6.546 3.736 8.623 1.00 0.00 C ATOM 975 C GLY A 61 -7.389 2.490 8.413 1.00 0.00 C ATOM 976 O GLY A 61 -6.882 1.378 8.561 1.00 0.00 O ATOM 0 H GLY A 61 -6.855 5.741 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.494 3.455 8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.732 4.115 9.628 1.00 0.00 H new ATOM 980 N LEU A 62 -8.655 2.677 8.045 1.00 0.00 N ATOM 981 CA LEU A 62 -9.617 1.570 7.933 1.00 0.00 C ATOM 982 C LEU A 62 -9.604 0.751 9.224 1.00 0.00 C ATOM 983 O LEU A 62 -10.210 1.123 10.230 1.00 0.00 O ATOM 984 CB LEU A 62 -9.288 0.631 6.753 1.00 0.00 C ATOM 985 CG LEU A 62 -8.712 1.294 5.505 1.00 0.00 C ATOM 986 CD1 LEU A 62 -7.466 0.551 5.048 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.733 1.333 4.385 1.00 0.00 C ATOM 0 H LEU A 62 -9.046 3.591 7.816 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.599 2.009 7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.579 -0.120 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.199 0.103 6.471 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.447 2.320 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.062 1.032 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.719 0.571 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.723 -0.483 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.294 1.811 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.034 0.317 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.606 1.900 4.708 1.00 0.00 H new ATOM 999 N SER A 63 -8.892 -0.363 9.162 1.00 0.00 N ATOM 1000 CA SER A 63 -8.560 -1.173 10.315 1.00 0.00 C ATOM 1001 C SER A 63 -7.308 -1.966 9.962 1.00 0.00 C ATOM 1002 O SER A 63 -7.132 -2.330 8.798 1.00 0.00 O ATOM 1003 CB SER A 63 -9.712 -2.116 10.670 1.00 0.00 C ATOM 1004 OG SER A 63 -10.893 -1.392 10.988 1.00 0.00 O ATOM 0 H SER A 63 -8.522 -0.734 8.287 1.00 0.00 H new ATOM 0 HA SER A 63 -8.385 -0.542 11.186 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.908 -2.786 9.833 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.426 -2.740 11.517 1.00 0.00 H new ATOM 0 HG SER A 63 -10.723 -0.431 10.893 1.00 0.00 H new ATOM 1010 N ASP A 64 -6.437 -2.217 10.934 1.00 0.00 N ATOM 1011 CA ASP A 64 -5.184 -2.927 10.665 1.00 0.00 C ATOM 1012 C ASP A 64 -5.456 -4.270 9.993 1.00 0.00 C ATOM 1013 O ASP A 64 -4.713 -4.682 9.108 1.00 0.00 O ATOM 1014 CB ASP A 64 -4.360 -3.128 11.946 1.00 0.00 C ATOM 1015 CG ASP A 64 -4.960 -4.141 12.904 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -5.851 -3.767 13.698 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.543 -5.317 12.870 1.00 0.00 O ATOM 0 H ASP A 64 -6.570 -1.944 11.908 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.599 -2.307 9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.355 -3.449 11.674 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.261 -2.171 12.458 1.00 0.00 H new ATOM 1022 N GLU A 65 -6.544 -4.924 10.393 1.00 0.00 N ATOM 1023 CA GLU A 65 -6.938 -6.200 9.809 1.00 0.00 C ATOM 1024 C GLU A 65 -7.295 -6.033 8.331 1.00 0.00 C ATOM 1025 O GLU A 65 -6.907 -6.847 7.498 1.00 0.00 O ATOM 1026 CB GLU A 65 -8.118 -6.778 10.588 1.00 0.00 C ATOM 1027 CG GLU A 65 -8.486 -8.196 10.189 1.00 0.00 C ATOM 1028 CD GLU A 65 -9.559 -8.788 11.081 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -9.245 -9.155 12.235 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -10.718 -8.889 10.640 1.00 0.00 O ATOM 0 H GLU A 65 -7.171 -4.587 11.124 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.098 -6.892 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.881 -6.761 11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.986 -6.134 10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.833 -8.201 9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.596 -8.824 10.230 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.025 -4.969 8.012 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.377 -4.660 6.628 1.00 0.00 C ATOM 1039 C GLU A 66 -7.108 -4.448 5.805 1.00 0.00 C ATOM 1040 O GLU A 66 -6.908 -5.084 4.775 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.250 -3.394 6.582 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.568 -2.885 5.175 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.568 -3.742 4.413 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.761 -3.737 4.778 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.172 -4.393 3.418 1.00 0.00 O ATOM 0 H GLU A 66 -8.386 -4.303 8.695 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.938 -5.494 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.187 -3.597 7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.745 -2.601 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.958 -1.870 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.642 -2.831 4.602 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.237 -3.586 6.312 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.036 -3.177 5.604 1.00 0.00 C ATOM 1054 C PHE A 67 -4.086 -4.356 5.394 1.00 0.00 C ATOM 1055 O PHE A 67 -3.576 -4.564 4.290 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.329 -2.064 6.387 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.174 -1.432 5.660 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -1.891 -1.941 5.784 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -3.374 -0.318 4.861 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -0.830 -1.352 5.121 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -2.317 0.276 4.197 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.043 -0.242 4.328 1.00 0.00 C ATOM 0 H PHE A 67 -6.346 -3.151 7.228 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.328 -2.804 4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.056 -1.290 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.969 -2.473 7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.718 -2.807 6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.368 0.091 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.165 -1.760 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.487 1.144 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.215 0.220 3.811 1.00 0.00 H new ATOM 1072 N ASN A 68 -3.856 -5.138 6.449 1.00 0.00 N ATOM 1073 CA ASN A 68 -2.900 -6.239 6.369 1.00 0.00 C ATOM 1074 C ASN A 68 -3.428 -7.364 5.490 1.00 0.00 C ATOM 1075 O ASN A 68 -2.651 -8.133 4.936 1.00 0.00 O ATOM 1076 CB ASN A 68 -2.485 -6.758 7.767 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.588 -7.457 8.558 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -4.464 -8.117 8.008 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.545 -7.317 9.876 1.00 0.00 N ATOM 0 H ASN A 68 -4.311 -5.031 7.355 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.998 -5.845 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.652 -7.451 7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.117 -5.917 8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.252 -7.764 10.460 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.805 -6.762 10.306 1.00 0.00 H new ATOM 1086 N SER A 69 -4.746 -7.438 5.328 1.00 0.00 N ATOM 1087 CA SER A 69 -5.343 -8.443 4.461 1.00 0.00 C ATOM 1088 C SER A 69 -4.954 -8.194 3.009 1.00 0.00 C ATOM 1089 O SER A 69 -4.826 -9.132 2.223 1.00 0.00 O ATOM 1090 CB SER A 69 -6.864 -8.459 4.615 1.00 0.00 C ATOM 1091 OG SER A 69 -7.235 -8.894 5.913 1.00 0.00 O ATOM 0 H SER A 69 -5.415 -6.817 5.783 1.00 0.00 H new ATOM 0 HA SER A 69 -4.962 -9.420 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.263 -7.461 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.303 -9.119 3.866 1.00 0.00 H new ATOM 0 HG SER A 69 -6.815 -8.316 6.584 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.743 -6.929 2.663 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.325 -6.581 1.309 1.00 0.00 C ATOM 1099 C TRP A 70 -2.902 -7.077 1.070 1.00 0.00 C ATOM 1100 O TRP A 70 -2.604 -7.696 0.047 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.402 -5.066 1.078 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.731 -4.459 1.434 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.874 -5.120 1.772 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.051 -3.063 1.476 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.874 -4.225 2.048 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.399 -2.956 1.866 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.329 -1.892 1.229 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.038 -1.728 2.012 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.966 -0.676 1.373 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.309 -0.602 1.761 1.00 0.00 C ATOM 0 H TRP A 70 -4.853 -6.135 3.293 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.002 -7.063 0.604 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.623 -4.579 1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.188 -4.857 0.030 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.977 -6.194 1.816 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.820 -4.467 2.342 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.292 -1.938 0.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.073 -1.668 2.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.418 0.235 1.183 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.778 0.366 1.864 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.036 -6.829 2.046 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.646 -7.255 1.972 1.00 0.00 C ATOM 1123 C VAL A 71 -0.547 -8.778 2.046 1.00 0.00 C ATOM 1124 O VAL A 71 0.217 -9.395 1.309 1.00 0.00 O ATOM 1125 CB VAL A 71 0.197 -6.634 3.108 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.664 -7.014 2.968 1.00 0.00 C ATOM 1127 CG2 VAL A 71 0.033 -5.122 3.135 1.00 0.00 C ATOM 0 H VAL A 71 -2.276 -6.331 2.903 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.252 -6.909 1.017 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.166 -7.034 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.235 -6.564 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.765 -8.098 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.044 -6.652 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.635 -4.705 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.362 -4.703 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.015 -4.873 3.298 1.00 0.00 H new ATOM 1137 N SER A 72 -1.335 -9.374 2.934 1.00 0.00 N ATOM 1138 CA SER A 72 -1.370 -10.823 3.089 1.00 0.00 C ATOM 1139 C SER A 72 -1.882 -11.511 1.825 1.00 0.00 C ATOM 1140 O SER A 72 -1.499 -12.645 1.528 1.00 0.00 O ATOM 1141 CB SER A 72 -2.238 -11.201 4.290 1.00 0.00 C ATOM 1142 OG SER A 72 -1.626 -10.815 5.507 1.00 0.00 O ATOM 0 H SER A 72 -1.962 -8.871 3.562 1.00 0.00 H new ATOM 0 HA SER A 72 -0.350 -11.167 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.213 -10.722 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.411 -12.277 4.292 1.00 0.00 H new ATOM 0 HG SER A 72 -1.766 -9.856 5.654 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.737 -10.826 1.075 1.00 0.00 N ATOM 1149 CA ALA A 73 -3.233 -11.360 -0.187 1.00 0.00 C ATOM 1150 C ALA A 73 -2.130 -11.326 -1.232 1.00 0.00 C ATOM 1151 O ALA A 73 -2.050 -12.188 -2.105 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.444 -10.575 -0.662 1.00 0.00 C ATOM 0 H ALA A 73 -3.100 -9.904 1.317 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.540 -12.394 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.799 -10.989 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.236 -10.641 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.167 -9.531 -0.806 1.00 0.00 H new ATOM 1158 N LEU A 74 -1.269 -10.325 -1.118 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.122 -10.183 -1.998 1.00 0.00 C ATOM 1160 C LEU A 74 0.976 -11.156 -1.604 1.00 0.00 C ATOM 1161 O LEU A 74 1.765 -11.597 -2.439 1.00 0.00 O ATOM 1162 CB LEU A 74 0.391 -8.746 -1.939 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.553 -7.716 -2.551 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.059 -6.307 -2.287 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.692 -7.961 -4.042 1.00 0.00 C ATOM 0 H LEU A 74 -1.347 -9.591 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.426 -10.412 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.574 -8.480 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.350 -8.694 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.532 -7.822 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.748 -5.590 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.003 -6.136 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.931 -6.180 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.368 -7.221 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.286 -7.878 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.094 -8.960 -4.211 1.00 0.00 H new ATOM 1177 N ALA A 75 1.022 -11.479 -0.322 1.00 0.00 N ATOM 1178 CA ALA A 75 1.977 -12.442 0.191 1.00 0.00 C ATOM 1179 C ALA A 75 1.572 -13.856 -0.199 1.00 0.00 C ATOM 1180 O ALA A 75 2.427 -14.730 -0.349 1.00 0.00 O ATOM 1181 CB ALA A 75 2.084 -12.330 1.702 1.00 0.00 C ATOM 0 H ALA A 75 0.403 -11.084 0.386 1.00 0.00 H new ATOM 0 HA ALA A 75 2.951 -12.224 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.805 -13.060 2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.414 -11.326 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.110 -12.523 2.151 1.00 0.00 H new ATOM 1187 N GLU A 76 0.258 -14.054 -0.357 1.00 0.00 N ATOM 1188 CA GLU A 76 -0.323 -15.355 -0.688 1.00 0.00 C ATOM 1189 C GLU A 76 -0.200 -16.314 0.490 1.00 0.00 C ATOM 1190 O GLU A 76 -1.190 -16.669 1.127 1.00 0.00 O ATOM 1191 CB GLU A 76 0.335 -15.958 -1.937 1.00 0.00 C ATOM 1192 CG GLU A 76 -0.160 -17.355 -2.280 1.00 0.00 C ATOM 1193 CD GLU A 76 -1.612 -17.382 -2.710 1.00 0.00 C ATOM 1194 OE1 GLU A 76 -2.506 -17.311 -1.840 1.00 0.00 O ATOM 1195 OE2 GLU A 76 -1.869 -17.485 -3.925 1.00 0.00 O ATOM 0 H GLU A 76 -0.433 -13.311 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.380 -15.200 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.152 -15.299 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.414 -15.992 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.457 -17.767 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.032 -18.002 -1.413 1.00 0.00 H new ATOM 1202 N HIS A 77 1.024 -16.700 0.787 1.00 0.00 N ATOM 1203 CA HIS A 77 1.299 -17.657 1.840 1.00 0.00 C ATOM 1204 C HIS A 77 1.856 -16.961 3.076 1.00 0.00 C ATOM 1205 O HIS A 77 2.802 -16.173 2.990 1.00 0.00 O ATOM 1206 CB HIS A 77 2.264 -18.745 1.339 1.00 0.00 C ATOM 1207 CG HIS A 77 3.455 -18.225 0.578 1.00 0.00 C ATOM 1208 ND1 HIS A 77 3.635 -18.436 -0.773 1.00 0.00 N ATOM 1209 CD2 HIS A 77 4.529 -17.515 0.986 1.00 0.00 C ATOM 1210 CE1 HIS A 77 4.767 -17.877 -1.156 1.00 0.00 C ATOM 1211 NE2 HIS A 77 5.331 -17.311 -0.109 1.00 0.00 N ATOM 0 H HIS A 77 1.856 -16.359 0.306 1.00 0.00 H new ATOM 0 HA HIS A 77 0.361 -18.136 2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 77 2.619 -19.319 2.195 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.713 -19.434 0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.722 -17.170 1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.165 -17.883 -2.160 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.217 -16.805 -0.111 1.00 0.00 H new ATOM 1220 N GLY A 78 1.261 -17.253 4.220 1.00 0.00 N ATOM 1221 CA GLY A 78 1.722 -16.687 5.472 1.00 0.00 C ATOM 1222 C GLY A 78 2.939 -17.418 5.995 1.00 0.00 C ATOM 1223 O GLY A 78 2.867 -18.137 6.993 1.00 0.00 O ATOM 0 H GLY A 78 0.459 -17.878 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.962 -15.633 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.922 -16.735 6.211 1.00 0.00 H new ATOM 1227 N LYS A 79 4.055 -17.242 5.307 1.00 0.00 N ATOM 1228 CA LYS A 79 5.287 -17.943 5.635 1.00 0.00 C ATOM 1229 C LYS A 79 6.486 -17.020 5.450 1.00 0.00 C ATOM 1230 O LYS A 79 6.981 -16.430 6.408 1.00 0.00 O ATOM 1231 CB LYS A 79 5.412 -19.197 4.759 1.00 0.00 C ATOM 1232 CG LYS A 79 6.770 -19.876 4.816 1.00 0.00 C ATOM 1233 CD LYS A 79 6.803 -21.111 3.933 1.00 0.00 C ATOM 1234 CE LYS A 79 8.219 -21.432 3.490 1.00 0.00 C ATOM 1235 NZ LYS A 79 8.693 -20.493 2.438 1.00 0.00 N ATOM 0 H LYS A 79 4.133 -16.612 4.509 1.00 0.00 H new ATOM 0 HA LYS A 79 5.263 -18.251 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.649 -19.914 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.200 -18.925 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.543 -19.177 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.997 -20.155 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.388 -21.960 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.173 -20.953 3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.889 -21.384 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.259 -22.453 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.832 -21.011 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.985 -19.744 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.594 -20.066 2.734 1.00 0.00 H new ATOM 1249 N ASP A 80 6.926 -16.871 4.214 1.00 0.00 N ATOM 1250 CA ASP A 80 8.064 -16.024 3.903 1.00 0.00 C ATOM 1251 C ASP A 80 7.614 -14.600 3.625 1.00 0.00 C ATOM 1252 O ASP A 80 7.738 -14.090 2.514 1.00 0.00 O ATOM 1253 CB ASP A 80 8.868 -16.584 2.719 1.00 0.00 C ATOM 1254 CG ASP A 80 7.990 -17.151 1.620 1.00 0.00 C ATOM 1255 OD1 ASP A 80 7.352 -18.197 1.861 1.00 0.00 O ATOM 1256 OD2 ASP A 80 7.941 -16.574 0.512 1.00 0.00 O ATOM 0 H ASP A 80 6.509 -17.329 3.403 1.00 0.00 H new ATOM 0 HA ASP A 80 8.720 -16.012 4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.493 -15.793 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.539 -17.364 3.079 1.00 0.00 H new ATOM 1261 N ALA A 81 7.084 -13.960 4.659 1.00 0.00 N ATOM 1262 CA ALA A 81 6.663 -12.566 4.569 1.00 0.00 C ATOM 1263 C ALA A 81 7.872 -11.654 4.389 1.00 0.00 C ATOM 1264 O ALA A 81 7.741 -10.485 4.034 1.00 0.00 O ATOM 1265 CB ALA A 81 5.882 -12.173 5.811 1.00 0.00 C ATOM 0 H ALA A 81 6.935 -14.385 5.574 1.00 0.00 H new ATOM 0 HA ALA A 81 6.015 -12.453 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.573 -11.131 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.000 -12.807 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.512 -12.299 6.692 1.00 0.00 H new ATOM 1271 N LEU A 82 9.051 -12.213 4.627 1.00 0.00 N ATOM 1272 CA LEU A 82 10.303 -11.487 4.476 1.00 0.00 C ATOM 1273 C LEU A 82 10.705 -11.412 3.008 1.00 0.00 C ATOM 1274 O LEU A 82 11.686 -10.762 2.655 1.00 0.00 O ATOM 1275 CB LEU A 82 11.408 -12.172 5.282 1.00 0.00 C ATOM 1276 CG LEU A 82 11.128 -12.316 6.775 1.00 0.00 C ATOM 1277 CD1 LEU A 82 12.226 -13.127 7.440 1.00 0.00 C ATOM 1278 CD2 LEU A 82 11.006 -10.948 7.428 1.00 0.00 C ATOM 0 H LEU A 82 9.165 -13.180 4.929 1.00 0.00 H new ATOM 0 HA LEU A 82 10.161 -10.474 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.580 -13.164 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.332 -11.608 5.154 1.00 0.00 H new ATOM 0 HG LEU A 82 10.182 -12.842 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.014 -13.222 8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.270 -14.118 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.183 -12.624 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.806 -11.070 8.493 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.937 -10.397 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.187 -10.396 6.966 1.00 0.00 H new ATOM 1290 N LYS A 83 9.956 -12.099 2.160 1.00 0.00 N ATOM 1291 CA LYS A 83 10.212 -12.079 0.728 1.00 0.00 C ATOM 1292 C LYS A 83 9.216 -11.151 0.029 1.00 0.00 C ATOM 1293 O LYS A 83 9.363 -10.827 -1.151 1.00 0.00 O ATOM 1294 CB LYS A 83 10.108 -13.497 0.159 1.00 0.00 C ATOM 1295 CG LYS A 83 11.244 -13.881 -0.779 1.00 0.00 C ATOM 1296 CD LYS A 83 11.311 -12.977 -1.999 1.00 0.00 C ATOM 1297 CE LYS A 83 12.342 -13.464 -3.002 1.00 0.00 C ATOM 1298 NZ LYS A 83 11.986 -14.794 -3.556 1.00 0.00 N ATOM 0 H LYS A 83 9.164 -12.679 2.439 1.00 0.00 H new ATOM 0 HA LYS A 83 11.220 -11.704 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.080 -14.206 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.163 -13.593 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.190 -13.832 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.114 -14.914 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.331 -12.935 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.558 -11.962 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.428 -12.743 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.319 -13.520 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.532 -14.966 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.206 -15.532 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.970 -14.818 -3.776 1.00 0.00 H new ATOM 1312 N VAL A 84 8.201 -10.727 0.766 1.00 0.00 N ATOM 1313 CA VAL A 84 7.210 -9.808 0.230 1.00 0.00 C ATOM 1314 C VAL A 84 7.803 -8.410 0.130 1.00 0.00 C ATOM 1315 O VAL A 84 8.116 -7.794 1.143 1.00 0.00 O ATOM 1316 CB VAL A 84 5.938 -9.766 1.102 1.00 0.00 C ATOM 1317 CG1 VAL A 84 4.873 -8.883 0.464 1.00 0.00 C ATOM 1318 CG2 VAL A 84 5.402 -11.171 1.338 1.00 0.00 C ATOM 0 H VAL A 84 8.042 -11.004 1.735 1.00 0.00 H new ATOM 0 HA VAL A 84 6.929 -10.166 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 84 6.202 -9.334 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.985 -8.869 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.258 -7.869 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.613 -9.279 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.505 -11.119 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.158 -11.633 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.159 -11.768 1.847 1.00 0.00 H new ATOM 1328 N THR A 85 7.948 -7.929 -1.099 1.00 0.00 N ATOM 1329 CA THR A 85 8.595 -6.648 -1.378 1.00 0.00 C ATOM 1330 C THR A 85 8.051 -5.512 -0.504 1.00 0.00 C ATOM 1331 O THR A 85 8.816 -4.773 0.114 1.00 0.00 O ATOM 1332 CB THR A 85 8.414 -6.278 -2.862 1.00 0.00 C ATOM 1333 OG1 THR A 85 8.586 -7.447 -3.673 1.00 0.00 O ATOM 1334 CG2 THR A 85 9.414 -5.217 -3.288 1.00 0.00 C ATOM 0 H THR A 85 7.620 -8.416 -1.933 1.00 0.00 H new ATOM 0 HA THR A 85 9.653 -6.769 -1.144 1.00 0.00 H new ATOM 0 HB THR A 85 7.409 -5.877 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.469 -7.211 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.262 -4.976 -4.340 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.271 -4.320 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.427 -5.593 -3.144 1.00 0.00 H new ATOM 1342 N ALA A 86 6.731 -5.387 -0.439 1.00 0.00 N ATOM 1343 CA ALA A 86 6.101 -4.296 0.305 1.00 0.00 C ATOM 1344 C ALA A 86 6.248 -4.486 1.815 1.00 0.00 C ATOM 1345 O ALA A 86 6.349 -3.516 2.565 1.00 0.00 O ATOM 1346 CB ALA A 86 4.631 -4.182 -0.076 1.00 0.00 C ATOM 0 H ALA A 86 6.075 -6.024 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 86 6.612 -3.371 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.172 -3.367 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.546 -3.981 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.121 -5.116 0.159 1.00 0.00 H new ATOM 1352 N LEU A 87 6.294 -5.736 2.246 1.00 0.00 N ATOM 1353 CA LEU A 87 6.328 -6.048 3.667 1.00 0.00 C ATOM 1354 C LEU A 87 7.758 -5.941 4.168 1.00 0.00 C ATOM 1355 O LEU A 87 8.018 -5.343 5.212 1.00 0.00 O ATOM 1356 CB LEU A 87 5.759 -7.456 3.912 1.00 0.00 C ATOM 1357 CG LEU A 87 5.269 -7.761 5.339 1.00 0.00 C ATOM 1358 CD1 LEU A 87 6.424 -7.831 6.326 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.255 -6.718 5.782 1.00 0.00 C ATOM 0 H LEU A 87 6.309 -6.551 1.633 1.00 0.00 H new ATOM 0 HA LEU A 87 5.710 -5.337 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.927 -7.612 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.527 -8.184 3.652 1.00 0.00 H new ATOM 0 HG LEU A 87 4.789 -8.740 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.039 -8.048 7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.113 -8.619 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.949 -6.876 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.917 -6.946 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.718 -5.731 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.402 -6.728 5.103 1.00 0.00 H new ATOM 1371 N LYS A 88 8.685 -6.503 3.402 1.00 0.00 N ATOM 1372 CA LYS A 88 10.096 -6.427 3.736 1.00 0.00 C ATOM 1373 C LYS A 88 10.544 -4.972 3.724 1.00 0.00 C ATOM 1374 O LYS A 88 11.386 -4.568 4.522 1.00 0.00 O ATOM 1375 CB LYS A 88 10.943 -7.248 2.756 1.00 0.00 C ATOM 1376 CG LYS A 88 12.411 -7.338 3.152 1.00 0.00 C ATOM 1377 CD LYS A 88 13.226 -8.120 2.136 1.00 0.00 C ATOM 1378 CE LYS A 88 14.690 -8.171 2.536 1.00 0.00 C ATOM 1379 NZ LYS A 88 15.495 -9.034 1.632 1.00 0.00 N ATOM 0 H LYS A 88 8.481 -7.017 2.545 1.00 0.00 H new ATOM 0 HA LYS A 88 10.238 -6.845 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.531 -8.255 2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.869 -6.804 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.822 -6.333 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.495 -7.815 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.833 -9.133 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.130 -7.658 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.101 -7.161 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.772 -8.543 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.486 -9.036 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.122 -10.005 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.441 -8.666 0.661 1.00 0.00 H new ATOM 1393 N LYS A 89 9.953 -4.188 2.822 1.00 0.00 N ATOM 1394 CA LYS A 89 10.230 -2.760 2.748 1.00 0.00 C ATOM 1395 C LYS A 89 9.908 -2.111 4.071 1.00 0.00 C ATOM 1396 O LYS A 89 10.780 -1.537 4.704 1.00 0.00 O ATOM 1397 CB LYS A 89 9.387 -2.103 1.656 1.00 0.00 C ATOM 1398 CG LYS A 89 9.887 -0.738 1.209 1.00 0.00 C ATOM 1399 CD LYS A 89 9.069 -0.224 0.031 1.00 0.00 C ATOM 1400 CE LYS A 89 9.551 1.131 -0.468 1.00 0.00 C ATOM 1401 NZ LYS A 89 9.311 2.215 0.520 1.00 0.00 N ATOM 0 H LYS A 89 9.279 -4.522 2.133 1.00 0.00 H new ATOM 0 HA LYS A 89 11.286 -2.627 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.355 -2.765 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.364 -2.001 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.823 -0.033 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.938 -0.805 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.119 -0.946 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.022 -0.147 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.616 1.075 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.042 1.374 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.640 3.121 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.294 2.277 0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.831 2.007 1.396 1.00 0.00 H new ATOM 1415 N TYR A 90 8.659 -2.245 4.493 1.00 0.00 N ATOM 1416 CA TYR A 90 8.186 -1.593 5.701 1.00 0.00 C ATOM 1417 C TYR A 90 8.893 -2.139 6.935 1.00 0.00 C ATOM 1418 O TYR A 90 9.264 -1.385 7.830 1.00 0.00 O ATOM 1419 CB TYR A 90 6.676 -1.770 5.846 1.00 0.00 C ATOM 1420 CG TYR A 90 6.032 -0.687 6.677 1.00 0.00 C ATOM 1421 CD1 TYR A 90 5.926 0.609 6.190 1.00 0.00 C ATOM 1422 CD2 TYR A 90 5.542 -0.954 7.947 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.348 1.610 6.942 1.00 0.00 C ATOM 1424 CE2 TYR A 90 4.957 0.043 8.708 1.00 0.00 C ATOM 1425 CZ TYR A 90 4.868 1.323 8.201 1.00 0.00 C ATOM 1426 OH TYR A 90 4.290 2.320 8.952 1.00 0.00 O ATOM 0 H TYR A 90 7.953 -2.803 4.012 1.00 0.00 H new ATOM 0 HA TYR A 90 8.415 -0.531 5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.220 -1.780 4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.471 -2.739 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.303 0.837 5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.618 -1.954 8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.272 2.612 6.547 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.573 -0.180 9.692 1.00 0.00 H new ATOM 0 HH TYR A 90 3.889 1.932 9.757 1.00 0.00 H new ATOM 1436 N ARG A 91 9.093 -3.449 6.972 1.00 0.00 N ATOM 1437 CA ARG A 91 9.708 -4.094 8.125 1.00 0.00 C ATOM 1438 C ARG A 91 11.175 -3.680 8.266 1.00 0.00 C ATOM 1439 O ARG A 91 11.656 -3.437 9.373 1.00 0.00 O ATOM 1440 CB ARG A 91 9.579 -5.615 8.005 1.00 0.00 C ATOM 1441 CG ARG A 91 10.053 -6.378 9.230 1.00 0.00 C ATOM 1442 CD ARG A 91 9.668 -7.845 9.144 1.00 0.00 C ATOM 1443 NE ARG A 91 10.153 -8.616 10.291 1.00 0.00 N ATOM 1444 CZ ARG A 91 9.363 -9.214 11.182 1.00 0.00 C ATOM 1445 NH1 ARG A 91 8.041 -9.098 11.095 1.00 0.00 N ATOM 1446 NH2 ARG A 91 9.900 -9.928 12.162 1.00 0.00 N ATOM 0 H ARG A 91 8.839 -4.086 6.217 1.00 0.00 H new ATOM 0 HA ARG A 91 9.185 -3.770 9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.535 -5.866 7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.150 -5.950 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.135 -6.288 9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.619 -5.937 10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.583 -7.931 9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.072 -8.271 8.226 1.00 0.00 H new ATOM 0 HE ARG A 91 11.162 -8.701 10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.626 -8.549 10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.442 -9.559 11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.914 -10.018 12.231 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.299 -10.388 12.846 1.00 0.00 H new ATOM 1460 N GLN A 92 11.878 -3.583 7.142 1.00 0.00 N ATOM 1461 CA GLN A 92 13.277 -3.162 7.150 1.00 0.00 C ATOM 1462 C GLN A 92 13.370 -1.639 7.199 1.00 0.00 C ATOM 1463 O GLN A 92 14.415 -1.071 7.492 1.00 0.00 O ATOM 1464 CB GLN A 92 14.002 -3.689 5.907 1.00 0.00 C ATOM 1465 CG GLN A 92 15.502 -3.423 5.895 1.00 0.00 C ATOM 1466 CD GLN A 92 16.237 -4.181 6.982 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.424 -3.686 8.093 1.00 0.00 O ATOM 1468 NE2 GLN A 92 16.656 -5.400 6.676 1.00 0.00 N ATOM 0 H GLN A 92 11.504 -3.789 6.216 1.00 0.00 H new ATOM 0 HA GLN A 92 13.756 -3.576 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.835 -4.764 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.557 -3.235 5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.909 -3.703 4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.679 -2.355 6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.484 -5.780 5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.151 -5.959 7.371 1.00 0.00 H new ATOM 1477 N LEU A 93 12.258 -0.979 6.917 1.00 0.00 N ATOM 1478 CA LEU A 93 12.207 0.475 6.920 1.00 0.00 C ATOM 1479 C LEU A 93 12.117 1.006 8.356 1.00 0.00 C ATOM 1480 O LEU A 93 12.284 2.199 8.607 1.00 0.00 O ATOM 1481 CB LEU A 93 11.025 0.953 6.059 1.00 0.00 C ATOM 1482 CG LEU A 93 10.843 2.468 5.969 1.00 0.00 C ATOM 1483 CD1 LEU A 93 12.058 3.109 5.311 1.00 0.00 C ATOM 1484 CD2 LEU A 93 9.573 2.805 5.205 1.00 0.00 C ATOM 0 H LEU A 93 11.374 -1.430 6.682 1.00 0.00 H new ATOM 0 HA LEU A 93 13.125 0.872 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.151 0.560 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.109 0.518 6.458 1.00 0.00 H new ATOM 0 HG LEU A 93 10.749 2.870 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.914 4.188 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.948 2.893 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.183 2.706 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.458 3.888 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.635 2.395 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.714 2.375 5.720 1.00 0.00 H new