USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 551 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 22 ASN : amide:sc= -0.0879 K(o=-0.088,f=-1.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 175:sc= 0.173 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 157:sc=-0.00496 (180deg=-0.344) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 141:sc= 0.516 (180deg=0.00452) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -163:sc= -0.164 (180deg=-0.805) USER MOD Single : A 69 MET CE :methyl -125:sc= -1.09 (180deg=-2.84) USER MOD Single : A 70 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.039) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.537 9.805 0.233 1.00 0.00 N ATOM 211 CA VAL A 17 3.318 8.595 0.456 1.00 0.00 C ATOM 212 C VAL A 17 2.456 7.486 1.050 1.00 0.00 C ATOM 213 O VAL A 17 1.647 7.727 1.948 1.00 0.00 O ATOM 214 CB VAL A 17 4.511 8.860 1.393 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.406 7.633 1.480 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.299 10.072 0.923 1.00 0.00 C ATOM 0 HA VAL A 17 3.694 8.278 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 17 4.126 9.070 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.243 7.840 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.833 6.791 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.784 7.388 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.138 10.244 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.674 9.894 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.651 10.948 0.919 1.00 0.00 H new ATOM 226 N LEU A 18 2.633 6.271 0.544 1.00 0.00 N ATOM 227 CA LEU A 18 1.871 5.123 1.024 1.00 0.00 C ATOM 228 C LEU A 18 2.725 4.244 1.930 1.00 0.00 C ATOM 229 O LEU A 18 3.892 3.980 1.638 1.00 0.00 O ATOM 230 CB LEU A 18 1.347 4.303 -0.157 1.00 0.00 C ATOM 231 CG LEU A 18 0.600 5.084 -1.238 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.457 4.245 -2.498 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.764 5.526 -0.730 1.00 0.00 C ATOM 0 H LEU A 18 3.298 6.055 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 18 1.025 5.495 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.191 3.794 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.682 3.530 0.230 1.00 0.00 H new ATOM 0 HG LEU A 18 1.179 5.974 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.077 4.817 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.446 3.980 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.100 3.337 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.282 6.081 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.352 4.650 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.637 6.165 0.144 1.00 0.00 H new ATOM 245 N PHE A 19 2.136 3.789 3.032 1.00 0.00 N ATOM 246 CA PHE A 19 2.842 2.938 3.982 1.00 0.00 C ATOM 247 C PHE A 19 2.377 1.490 3.864 1.00 0.00 C ATOM 248 O PHE A 19 1.349 1.109 4.424 1.00 0.00 O ATOM 249 CB PHE A 19 2.625 3.441 5.410 1.00 0.00 C ATOM 250 CG PHE A 19 3.606 2.878 6.399 1.00 0.00 C ATOM 251 CD1 PHE A 19 4.954 3.188 6.311 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.180 2.040 7.417 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.859 2.671 7.220 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.080 1.521 8.329 1.00 0.00 C ATOM 255 CZ PHE A 19 5.420 1.838 8.230 1.00 0.00 C ATOM 0 H PHE A 19 1.171 3.996 3.289 1.00 0.00 H new ATOM 0 HA PHE A 19 3.906 2.980 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.696 4.529 5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.614 3.185 5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.302 3.841 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.133 1.789 7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.907 2.918 7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.735 0.869 9.118 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.125 1.435 8.942 1.00 0.00 H new ATOM 265 N VAL A 20 3.141 0.686 3.130 1.00 0.00 N ATOM 266 CA VAL A 20 2.808 -0.721 2.939 1.00 0.00 C ATOM 267 C VAL A 20 3.455 -1.589 4.011 1.00 0.00 C ATOM 268 O VAL A 20 4.677 -1.742 4.047 1.00 0.00 O ATOM 269 CB VAL A 20 3.254 -1.219 1.551 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.731 -2.624 1.295 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.787 -0.261 0.466 1.00 0.00 C ATOM 0 H VAL A 20 3.994 0.985 2.658 1.00 0.00 H new ATOM 0 HA VAL A 20 1.724 -0.804 3.015 1.00 0.00 H new ATOM 0 HB VAL A 20 4.343 -1.253 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.056 -2.959 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.120 -3.301 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.642 -2.620 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.111 -0.628 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.699 -0.192 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.216 0.725 0.642 1.00 0.00 H new ATOM 281 N ARG A 21 2.629 -2.158 4.883 1.00 0.00 N ATOM 282 CA ARG A 21 3.121 -3.012 5.957 1.00 0.00 C ATOM 283 C ARG A 21 2.856 -4.482 5.648 1.00 0.00 C ATOM 284 O ARG A 21 2.146 -4.808 4.698 1.00 0.00 O ATOM 285 CB ARG A 21 2.460 -2.631 7.284 1.00 0.00 C ATOM 286 CG ARG A 21 3.429 -2.570 8.453 1.00 0.00 C ATOM 287 CD ARG A 21 2.696 -2.464 9.780 1.00 0.00 C ATOM 288 NE ARG A 21 3.577 -2.721 10.915 1.00 0.00 N ATOM 289 CZ ARG A 21 3.258 -2.439 12.173 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.083 -1.892 12.455 1.00 0.00 N ATOM 291 NH2 ARG A 21 4.114 -2.702 13.152 1.00 0.00 N ATOM 0 H ARG A 21 1.616 -2.043 4.867 1.00 0.00 H new ATOM 0 HA ARG A 21 4.198 -2.865 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.976 -1.661 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.676 -3.354 7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.057 -3.461 8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.092 -1.713 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.263 -1.468 9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.869 -3.174 9.795 1.00 0.00 H new ATOM 0 HE ARG A 21 4.488 -3.141 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.423 -1.687 11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.840 -1.676 13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.019 -3.122 12.939 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.867 -2.485 14.117 1.00 0.00 H new ATOM 305 N ASN A 22 3.434 -5.365 6.456 1.00 0.00 N ATOM 306 CA ASN A 22 3.261 -6.801 6.269 1.00 0.00 C ATOM 307 C ASN A 22 3.679 -7.219 4.861 1.00 0.00 C ATOM 308 O ASN A 22 2.838 -7.535 4.020 1.00 0.00 O ATOM 309 CB ASN A 22 1.805 -7.198 6.518 1.00 0.00 C ATOM 310 CG ASN A 22 1.413 -7.068 7.978 1.00 0.00 C ATOM 311 OD1 ASN A 22 1.731 -6.074 8.631 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.719 -8.074 8.496 1.00 0.00 N ATOM 0 H ASN A 22 4.026 -5.111 7.247 1.00 0.00 H new ATOM 0 HA ASN A 22 3.899 -7.315 6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.151 -6.571 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.651 -8.227 6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.427 -8.043 9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.478 -8.878 7.917 1.00 0.00 H new ATOM 319 N LEU A 23 4.984 -7.219 4.614 1.00 0.00 N ATOM 320 CA LEU A 23 5.516 -7.599 3.310 1.00 0.00 C ATOM 321 C LEU A 23 6.130 -8.995 3.358 1.00 0.00 C ATOM 322 O LEU A 23 6.167 -9.632 4.410 1.00 0.00 O ATOM 323 CB LEU A 23 6.562 -6.584 2.848 1.00 0.00 C ATOM 324 CG LEU A 23 6.028 -5.357 2.109 1.00 0.00 C ATOM 325 CD1 LEU A 23 4.931 -4.683 2.918 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.155 -4.378 1.816 1.00 0.00 C ATOM 0 H LEU A 23 5.693 -6.960 5.300 1.00 0.00 H new ATOM 0 HA LEU A 23 4.691 -7.610 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.119 -6.243 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.272 -7.095 2.197 1.00 0.00 H new ATOM 0 HG LEU A 23 5.603 -5.685 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.563 -3.812 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.112 -5.385 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.331 -4.369 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.756 -3.511 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.610 -4.056 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.907 -4.865 1.195 1.00 0.00 H new ATOM 338 N ALA A 24 6.612 -9.463 2.211 1.00 0.00 N ATOM 339 CA ALA A 24 7.229 -10.781 2.123 1.00 0.00 C ATOM 340 C ALA A 24 8.746 -10.670 2.012 1.00 0.00 C ATOM 341 O ALA A 24 9.269 -9.720 1.432 1.00 0.00 O ATOM 342 CB ALA A 24 6.664 -11.549 0.938 1.00 0.00 C ATOM 0 H ALA A 24 6.587 -8.949 1.330 1.00 0.00 H new ATOM 0 HA ALA A 24 6.998 -11.326 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.133 -12.531 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.587 -11.667 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.866 -10.999 0.019 1.00 0.00 H new ATOM 348 N THR A 25 9.448 -11.651 2.573 1.00 0.00 N ATOM 349 CA THR A 25 10.905 -11.663 2.538 1.00 0.00 C ATOM 350 C THR A 25 11.419 -12.283 1.243 1.00 0.00 C ATOM 351 O THR A 25 12.534 -11.997 0.805 1.00 0.00 O ATOM 352 CB THR A 25 11.489 -12.440 3.733 1.00 0.00 C ATOM 353 OG1 THR A 25 10.813 -12.064 4.938 1.00 0.00 O ATOM 354 CG2 THR A 25 12.979 -12.170 3.877 1.00 0.00 C ATOM 0 H THR A 25 9.031 -12.446 3.056 1.00 0.00 H new ATOM 0 HA THR A 25 11.231 -10.624 2.595 1.00 0.00 H new ATOM 0 HB THR A 25 11.344 -13.505 3.552 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.188 -12.563 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.370 -12.729 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.495 -12.483 2.969 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.142 -11.104 4.038 1.00 0.00 H new ATOM 362 N THR A 26 10.599 -13.135 0.634 1.00 0.00 N ATOM 363 CA THR A 26 10.971 -13.796 -0.610 1.00 0.00 C ATOM 364 C THR A 26 10.943 -12.820 -1.781 1.00 0.00 C ATOM 365 O THR A 26 11.697 -12.969 -2.743 1.00 0.00 O ATOM 366 CB THR A 26 10.034 -14.979 -0.919 1.00 0.00 C ATOM 367 OG1 THR A 26 8.668 -14.561 -0.814 1.00 0.00 O ATOM 368 CG2 THR A 26 10.290 -16.137 0.033 1.00 0.00 C ATOM 0 H THR A 26 9.673 -13.383 0.983 1.00 0.00 H new ATOM 0 HA THR A 26 11.986 -14.171 -0.478 1.00 0.00 H new ATOM 0 HB THR A 26 10.234 -15.316 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.079 -15.296 -1.086 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.616 -16.960 -0.206 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.322 -16.472 -0.070 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.115 -15.811 1.058 1.00 0.00 H new ATOM 376 N VAL A 27 10.071 -11.822 -1.693 1.00 0.00 N ATOM 377 CA VAL A 27 9.947 -10.819 -2.745 1.00 0.00 C ATOM 378 C VAL A 27 11.123 -9.851 -2.722 1.00 0.00 C ATOM 379 O VAL A 27 11.837 -9.745 -1.723 1.00 0.00 O ATOM 380 CB VAL A 27 8.637 -10.022 -2.608 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.438 -10.960 -2.600 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.663 -9.166 -1.350 1.00 0.00 C ATOM 0 H VAL A 27 9.439 -11.686 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 27 9.940 -11.355 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 27 8.544 -9.360 -3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.521 -10.378 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.412 -11.525 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.521 -11.650 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.729 -8.610 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.780 -9.807 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.498 -8.468 -1.402 1.00 0.00 H new ATOM 392 N THR A 28 11.322 -9.144 -3.830 1.00 0.00 N ATOM 393 CA THR A 28 12.413 -8.183 -3.940 1.00 0.00 C ATOM 394 C THR A 28 11.900 -6.817 -4.381 1.00 0.00 C ATOM 395 O THR A 28 10.768 -6.691 -4.847 1.00 0.00 O ATOM 396 CB THR A 28 13.486 -8.662 -4.934 1.00 0.00 C ATOM 397 OG1 THR A 28 14.570 -7.727 -4.974 1.00 0.00 O ATOM 398 CG2 THR A 28 12.899 -8.825 -6.328 1.00 0.00 C ATOM 0 H THR A 28 10.741 -9.219 -4.665 1.00 0.00 H new ATOM 0 HA THR A 28 12.860 -8.098 -2.949 1.00 0.00 H new ATOM 0 HB THR A 28 13.855 -9.631 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.249 -8.040 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.676 -9.164 -7.013 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.094 -9.559 -6.300 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.505 -7.868 -6.671 1.00 0.00 H new ATOM 406 N GLU A 29 12.741 -5.798 -4.232 1.00 0.00 N ATOM 407 CA GLU A 29 12.371 -4.442 -4.617 1.00 0.00 C ATOM 408 C GLU A 29 11.959 -4.385 -6.084 1.00 0.00 C ATOM 409 O GLU A 29 11.187 -3.517 -6.490 1.00 0.00 O ATOM 410 CB GLU A 29 13.536 -3.481 -4.365 1.00 0.00 C ATOM 411 CG GLU A 29 13.540 -2.881 -2.969 1.00 0.00 C ATOM 412 CD GLU A 29 14.861 -2.225 -2.619 1.00 0.00 C ATOM 413 OE1 GLU A 29 15.810 -2.336 -3.422 1.00 0.00 O ATOM 414 OE2 GLU A 29 14.945 -1.599 -1.541 1.00 0.00 O ATOM 0 H GLU A 29 13.682 -5.886 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 29 11.520 -4.139 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.475 -4.011 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.496 -2.675 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.741 -2.143 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.323 -3.663 -2.241 1.00 0.00 H new ATOM 421 N GLU A 30 12.482 -5.317 -6.877 1.00 0.00 N ATOM 422 CA GLU A 30 12.169 -5.371 -8.300 1.00 0.00 C ATOM 423 C GLU A 30 10.704 -5.732 -8.522 1.00 0.00 C ATOM 424 O GLU A 30 10.058 -5.217 -9.436 1.00 0.00 O ATOM 425 CB GLU A 30 13.068 -6.391 -9.003 1.00 0.00 C ATOM 426 CG GLU A 30 13.770 -5.839 -10.232 1.00 0.00 C ATOM 427 CD GLU A 30 13.488 -6.652 -11.480 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.372 -6.527 -12.029 1.00 0.00 O ATOM 429 OE2 GLU A 30 14.380 -7.414 -11.907 1.00 0.00 O ATOM 0 H GLU A 30 13.123 -6.043 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 30 12.350 -4.383 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.817 -6.749 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.467 -7.252 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.453 -4.809 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.845 -5.817 -10.053 1.00 0.00 H new ATOM 436 N ILE A 31 10.184 -6.618 -7.679 1.00 0.00 N ATOM 437 CA ILE A 31 8.795 -7.047 -7.782 1.00 0.00 C ATOM 438 C ILE A 31 7.847 -5.970 -7.265 1.00 0.00 C ATOM 439 O ILE A 31 6.900 -5.581 -7.948 1.00 0.00 O ATOM 440 CB ILE A 31 8.549 -8.351 -7.002 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.492 -9.451 -7.492 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.098 -8.788 -7.144 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.525 -10.666 -6.590 1.00 0.00 C ATOM 0 H ILE A 31 10.704 -7.053 -6.917 1.00 0.00 H new ATOM 0 HA ILE A 31 8.597 -7.224 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 31 8.752 -8.169 -5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.188 -9.759 -8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.500 -9.044 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.940 -9.711 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.444 -8.010 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.870 -8.956 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.214 -11.404 -6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.858 -10.371 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.527 -11.098 -6.525 1.00 0.00 H new ATOM 455 N LEU A 32 8.110 -5.492 -6.054 1.00 0.00 N ATOM 456 CA LEU A 32 7.282 -4.458 -5.443 1.00 0.00 C ATOM 457 C LEU A 32 7.187 -3.232 -6.346 1.00 0.00 C ATOM 458 O LEU A 32 6.196 -2.503 -6.316 1.00 0.00 O ATOM 459 CB LEU A 32 7.853 -4.058 -4.081 1.00 0.00 C ATOM 460 CG LEU A 32 7.609 -5.042 -2.936 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.774 -5.023 -1.959 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.305 -4.719 -2.222 1.00 0.00 C ATOM 0 H LEU A 32 8.890 -5.804 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 32 6.280 -4.864 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.928 -3.915 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.430 -3.093 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 32 7.530 -6.045 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.583 -5.729 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.689 -5.305 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.886 -4.021 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.149 -5.430 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.353 -3.709 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.477 -4.787 -2.928 1.00 0.00 H new ATOM 474 N GLU A 33 8.224 -3.014 -7.150 1.00 0.00 N ATOM 475 CA GLU A 33 8.255 -1.878 -8.063 1.00 0.00 C ATOM 476 C GLU A 33 7.381 -2.139 -9.286 1.00 0.00 C ATOM 477 O GLU A 33 6.881 -1.206 -9.917 1.00 0.00 O ATOM 478 CB GLU A 33 9.692 -1.589 -8.503 1.00 0.00 C ATOM 479 CG GLU A 33 10.344 -0.449 -7.737 1.00 0.00 C ATOM 480 CD GLU A 33 11.728 -0.112 -8.260 1.00 0.00 C ATOM 481 OE1 GLU A 33 11.890 -0.026 -9.495 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.646 0.065 -7.434 1.00 0.00 O ATOM 0 H GLU A 33 9.052 -3.608 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 33 7.862 -1.009 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.291 -2.491 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.697 -1.351 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.710 0.436 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.413 -0.717 -6.683 1.00 0.00 H new ATOM 489 N LYS A 34 7.198 -3.412 -9.616 1.00 0.00 N ATOM 490 CA LYS A 34 6.384 -3.798 -10.762 1.00 0.00 C ATOM 491 C LYS A 34 4.916 -3.925 -10.368 1.00 0.00 C ATOM 492 O LYS A 34 4.024 -3.768 -11.203 1.00 0.00 O ATOM 493 CB LYS A 34 6.883 -5.121 -11.346 1.00 0.00 C ATOM 494 CG LYS A 34 7.233 -5.042 -12.822 1.00 0.00 C ATOM 495 CD LYS A 34 8.583 -5.677 -13.110 1.00 0.00 C ATOM 496 CE LYS A 34 8.785 -5.907 -14.600 1.00 0.00 C ATOM 497 NZ LYS A 34 8.955 -7.352 -14.920 1.00 0.00 N ATOM 0 H LYS A 34 7.603 -4.196 -9.105 1.00 0.00 H new ATOM 0 HA LYS A 34 6.473 -3.018 -11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.763 -5.445 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.117 -5.883 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.462 -5.543 -13.407 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.246 -3.999 -13.139 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.377 -5.035 -12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.660 -6.627 -12.581 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.929 -5.512 -15.148 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.662 -5.355 -14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.090 -7.467 -15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.786 -7.723 -14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.107 -7.876 -14.622 1.00 0.00 H new ATOM 511 N SER A 35 4.673 -4.210 -9.093 1.00 0.00 N ATOM 512 CA SER A 35 3.313 -4.361 -8.590 1.00 0.00 C ATOM 513 C SER A 35 2.577 -3.023 -8.605 1.00 0.00 C ATOM 514 O SER A 35 1.374 -2.968 -8.857 1.00 0.00 O ATOM 515 CB SER A 35 3.332 -4.928 -7.169 1.00 0.00 C ATOM 516 OG SER A 35 3.154 -6.334 -7.180 1.00 0.00 O ATOM 0 H SER A 35 5.400 -4.341 -8.390 1.00 0.00 H new ATOM 0 HA SER A 35 2.785 -5.055 -9.244 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.279 -4.682 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.543 -4.463 -6.578 1.00 0.00 H new ATOM 0 HG SER A 35 3.172 -6.673 -6.261 1.00 0.00 H new ATOM 522 N PHE A 36 3.310 -1.949 -8.333 1.00 0.00 N ATOM 523 CA PHE A 36 2.729 -0.612 -8.314 1.00 0.00 C ATOM 524 C PHE A 36 2.908 0.078 -9.663 1.00 0.00 C ATOM 525 O PHE A 36 2.110 0.934 -10.045 1.00 0.00 O ATOM 526 CB PHE A 36 3.369 0.230 -7.209 1.00 0.00 C ATOM 527 CG PHE A 36 3.069 -0.270 -5.825 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.770 -0.287 -5.346 1.00 0.00 C ATOM 529 CD2 PHE A 36 4.088 -0.724 -5.003 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.491 -0.746 -4.072 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.816 -1.185 -3.727 1.00 0.00 C ATOM 532 CZ PHE A 36 2.516 -1.196 -3.262 1.00 0.00 C ATOM 0 H PHE A 36 4.308 -1.978 -8.123 1.00 0.00 H new ATOM 0 HA PHE A 36 1.662 -0.710 -8.114 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.449 0.246 -7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.020 1.259 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.965 0.063 -5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.106 -0.718 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.473 -0.753 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.619 -1.536 -3.096 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.301 -1.556 -2.267 1.00 0.00 H new ATOM 542 N SER A 37 3.960 -0.301 -10.380 1.00 0.00 N ATOM 543 CA SER A 37 4.247 0.283 -11.685 1.00 0.00 C ATOM 544 C SER A 37 3.044 0.159 -12.613 1.00 0.00 C ATOM 545 O SER A 37 2.821 1.009 -13.475 1.00 0.00 O ATOM 546 CB SER A 37 5.464 -0.397 -12.315 1.00 0.00 C ATOM 547 OG SER A 37 5.547 -0.112 -13.701 1.00 0.00 O ATOM 0 H SER A 37 4.628 -1.010 -10.079 1.00 0.00 H new ATOM 0 HA SER A 37 4.465 1.341 -11.541 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.372 -0.059 -11.816 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.400 -1.475 -12.165 1.00 0.00 H new ATOM 0 HG SER A 37 6.334 -0.557 -14.080 1.00 0.00 H new ATOM 553 N GLU A 38 2.270 -0.906 -12.429 1.00 0.00 N ATOM 554 CA GLU A 38 1.089 -1.143 -13.251 1.00 0.00 C ATOM 555 C GLU A 38 0.061 -0.032 -13.057 1.00 0.00 C ATOM 556 O GLU A 38 -0.749 0.242 -13.944 1.00 0.00 O ATOM 557 CB GLU A 38 0.464 -2.497 -12.908 1.00 0.00 C ATOM 558 CG GLU A 38 -0.255 -2.514 -11.569 1.00 0.00 C ATOM 559 CD GLU A 38 -0.532 -3.920 -11.074 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.434 -4.696 -10.920 1.00 0.00 O ATOM 561 OE2 GLU A 38 -1.715 -4.243 -10.839 1.00 0.00 O ATOM 0 H GLU A 38 2.439 -1.618 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 38 1.400 -1.150 -14.296 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.241 -2.772 -13.693 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.245 -3.257 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.347 -1.985 -10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.197 -1.972 -11.659 1.00 0.00 H new ATOM 568 N PHE A 39 0.097 0.603 -11.890 1.00 0.00 N ATOM 569 CA PHE A 39 -0.832 1.683 -11.578 1.00 0.00 C ATOM 570 C PHE A 39 -0.340 3.007 -12.154 1.00 0.00 C ATOM 571 O PHE A 39 -1.079 3.711 -12.842 1.00 0.00 O ATOM 572 CB PHE A 39 -1.012 1.808 -10.064 1.00 0.00 C ATOM 573 CG PHE A 39 -1.777 0.669 -9.455 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.129 -0.497 -9.079 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.145 0.763 -9.258 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.830 -1.547 -8.518 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.852 -0.284 -8.697 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.194 -1.441 -8.327 1.00 0.00 C ATOM 0 H PHE A 39 0.760 0.388 -11.145 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.793 1.444 -12.033 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.031 1.869 -9.593 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.530 2.742 -9.844 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.063 -0.586 -9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.665 1.665 -9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.312 -2.450 -8.229 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.918 -0.198 -8.548 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.745 -2.261 -7.889 1.00 0.00 H new ATOM 588 N GLY A 40 0.916 3.341 -11.869 1.00 0.00 N ATOM 589 CA GLY A 40 1.485 4.580 -12.365 1.00 0.00 C ATOM 590 C GLY A 40 2.994 4.621 -12.224 1.00 0.00 C ATOM 591 O GLY A 40 3.571 3.880 -11.429 1.00 0.00 O ATOM 0 H GLY A 40 1.549 2.775 -11.303 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.217 4.705 -13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.049 5.419 -11.823 1.00 0.00 H new ATOM 595 N LYS A 41 3.634 5.490 -12.998 1.00 0.00 N ATOM 596 CA LYS A 41 5.086 5.627 -12.957 1.00 0.00 C ATOM 597 C LYS A 41 5.567 5.893 -11.534 1.00 0.00 C ATOM 598 O LYS A 41 5.418 7.001 -11.015 1.00 0.00 O ATOM 599 CB LYS A 41 5.539 6.760 -13.881 1.00 0.00 C ATOM 600 CG LYS A 41 5.930 6.291 -15.272 1.00 0.00 C ATOM 601 CD LYS A 41 7.261 5.557 -15.258 1.00 0.00 C ATOM 602 CE LYS A 41 8.354 6.372 -15.930 1.00 0.00 C ATOM 603 NZ LYS A 41 8.473 7.734 -15.339 1.00 0.00 N ATOM 0 H LYS A 41 3.171 6.111 -13.662 1.00 0.00 H new ATOM 0 HA LYS A 41 5.524 4.690 -13.301 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.735 7.492 -13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.388 7.271 -13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.155 5.634 -15.667 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.993 7.148 -15.942 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.548 5.341 -14.229 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.155 4.599 -15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.306 5.850 -15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.141 6.456 -16.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.426 8.109 -15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.765 8.362 -15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.312 7.683 -14.313 1.00 0.00 H new ATOM 617 N LEU A 42 6.148 4.874 -10.910 1.00 0.00 N ATOM 618 CA LEU A 42 6.653 4.999 -9.548 1.00 0.00 C ATOM 619 C LEU A 42 7.787 6.017 -9.478 1.00 0.00 C ATOM 620 O LEU A 42 8.270 6.493 -10.506 1.00 0.00 O ATOM 621 CB LEU A 42 7.138 3.642 -9.036 1.00 0.00 C ATOM 622 CG LEU A 42 6.066 2.563 -8.875 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.683 1.270 -8.366 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.968 3.038 -7.935 1.00 0.00 C ATOM 0 H LEU A 42 6.281 3.952 -11.326 1.00 0.00 H new ATOM 0 HA LEU A 42 5.837 5.348 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.900 3.269 -9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.622 3.792 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 42 5.622 2.370 -9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.905 0.514 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.433 0.920 -9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.154 1.447 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.214 2.258 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.396 3.259 -6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.506 3.938 -8.341 1.00 0.00 H new ATOM 636 N GLU A 43 8.209 6.344 -8.261 1.00 0.00 N ATOM 637 CA GLU A 43 9.288 7.303 -8.060 1.00 0.00 C ATOM 638 C GLU A 43 10.519 6.622 -7.469 1.00 0.00 C ATOM 639 O GLU A 43 11.639 6.821 -7.940 1.00 0.00 O ATOM 640 CB GLU A 43 8.829 8.436 -7.139 1.00 0.00 C ATOM 641 CG GLU A 43 9.044 9.821 -7.725 1.00 0.00 C ATOM 642 CD GLU A 43 8.783 10.926 -6.721 1.00 0.00 C ATOM 643 OE1 GLU A 43 9.132 10.746 -5.535 1.00 0.00 O ATOM 644 OE2 GLU A 43 8.229 11.973 -7.120 1.00 0.00 O ATOM 0 H GLU A 43 7.820 5.959 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 43 9.555 7.719 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.770 8.305 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.365 8.364 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.068 9.902 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.387 9.954 -8.585 1.00 0.00 H new ATOM 651 N ARG A 44 10.303 5.817 -6.433 1.00 0.00 N ATOM 652 CA ARG A 44 11.394 5.108 -5.776 1.00 0.00 C ATOM 653 C ARG A 44 10.869 4.242 -4.633 1.00 0.00 C ATOM 654 O ARG A 44 10.008 4.668 -3.864 1.00 0.00 O ATOM 655 CB ARG A 44 12.430 6.100 -5.245 1.00 0.00 C ATOM 656 CG ARG A 44 13.867 5.663 -5.478 1.00 0.00 C ATOM 657 CD ARG A 44 14.801 6.236 -4.422 1.00 0.00 C ATOM 658 NE ARG A 44 15.838 7.079 -5.010 1.00 0.00 N ATOM 659 CZ ARG A 44 16.563 7.947 -4.312 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.364 8.084 -3.008 1.00 0.00 N ATOM 661 NH2 ARG A 44 17.489 8.678 -4.918 1.00 0.00 N ATOM 0 H ARG A 44 9.382 5.640 -6.031 1.00 0.00 H new ATOM 0 HA ARG A 44 11.868 4.459 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.272 7.068 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.271 6.241 -4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.924 4.575 -5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.191 5.987 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.223 6.819 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.267 5.421 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 44 16.016 6.997 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.653 7.523 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.922 8.751 -2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.645 8.574 -5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.045 9.344 -4.381 1.00 0.00 H new ATOM 675 N VAL A 45 11.396 3.026 -4.528 1.00 0.00 N ATOM 676 CA VAL A 45 10.982 2.102 -3.479 1.00 0.00 C ATOM 677 C VAL A 45 12.166 1.685 -2.616 1.00 0.00 C ATOM 678 O VAL A 45 13.301 1.616 -3.089 1.00 0.00 O ATOM 679 CB VAL A 45 10.322 0.843 -4.070 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.740 -0.025 -2.964 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.249 1.227 -5.078 1.00 0.00 C ATOM 0 H VAL A 45 12.110 2.658 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 45 10.254 2.629 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 45 11.086 0.264 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.278 -0.910 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.535 -0.329 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.989 0.542 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.793 0.325 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.485 1.829 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.699 1.803 -5.887 1.00 0.00 H new ATOM 691 N LYS A 46 11.897 1.405 -1.345 1.00 0.00 N ATOM 692 CA LYS A 46 12.939 0.991 -0.414 1.00 0.00 C ATOM 693 C LYS A 46 12.405 -0.036 0.580 1.00 0.00 C ATOM 694 O LYS A 46 11.303 0.112 1.109 1.00 0.00 O ATOM 695 CB LYS A 46 13.491 2.205 0.338 1.00 0.00 C ATOM 696 CG LYS A 46 14.966 2.089 0.682 1.00 0.00 C ATOM 697 CD LYS A 46 15.827 2.030 -0.568 1.00 0.00 C ATOM 698 CE LYS A 46 17.230 2.553 -0.304 1.00 0.00 C ATOM 699 NZ LYS A 46 18.181 1.453 0.018 1.00 0.00 N ATOM 0 H LYS A 46 10.964 1.458 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 46 13.742 0.530 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.337 3.098 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.922 2.342 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.266 2.941 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.131 1.194 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.882 1.001 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.362 2.617 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.586 3.096 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.203 3.263 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.126 1.851 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.856 0.951 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.226 0.788 -0.781 1.00 0.00 H new ATOM 713 N LYS A 47 13.193 -1.075 0.830 1.00 0.00 N ATOM 714 CA LYS A 47 12.802 -2.126 1.762 1.00 0.00 C ATOM 715 C LYS A 47 13.250 -1.789 3.181 1.00 0.00 C ATOM 716 O LYS A 47 14.416 -1.966 3.534 1.00 0.00 O ATOM 717 CB LYS A 47 13.401 -3.467 1.332 1.00 0.00 C ATOM 718 CG LYS A 47 12.491 -4.653 1.599 1.00 0.00 C ATOM 719 CD LYS A 47 12.577 -5.683 0.485 1.00 0.00 C ATOM 720 CE LYS A 47 11.624 -6.845 0.725 1.00 0.00 C ATOM 721 NZ LYS A 47 12.342 -8.149 0.773 1.00 0.00 N ATOM 0 H LYS A 47 14.108 -1.212 0.400 1.00 0.00 H new ATOM 0 HA LYS A 47 11.715 -2.201 1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.630 -3.428 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.345 -3.619 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.765 -5.117 2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.462 -4.308 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.342 -5.210 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.598 -6.058 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.090 -6.689 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.876 -6.871 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.924 -8.749 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.258 -8.626 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.346 -7.985 0.987 1.00 0.00 H new ATOM 735 N LEU A 48 12.315 -1.304 3.991 1.00 0.00 N ATOM 736 CA LEU A 48 12.614 -0.943 5.373 1.00 0.00 C ATOM 737 C LEU A 48 11.678 -1.665 6.338 1.00 0.00 C ATOM 738 O LEU A 48 10.482 -1.376 6.395 1.00 0.00 O ATOM 739 CB LEU A 48 12.493 0.570 5.564 1.00 0.00 C ATOM 740 CG LEU A 48 13.682 1.403 5.088 1.00 0.00 C ATOM 741 CD1 LEU A 48 14.953 0.980 5.810 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.855 1.276 3.582 1.00 0.00 C ATOM 0 H LEU A 48 11.345 -1.152 3.715 1.00 0.00 H new ATOM 0 HA LEU A 48 13.637 -1.249 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.602 0.912 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.335 0.771 6.624 1.00 0.00 H new ATOM 0 HG LEU A 48 13.485 2.449 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.789 1.584 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.827 1.124 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.154 -0.072 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.707 1.876 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.029 0.232 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.954 1.629 3.081 1.00 0.00 H new ATOM 754 N LYS A 49 12.231 -2.606 7.097 1.00 0.00 N ATOM 755 CA LYS A 49 11.447 -3.367 8.063 1.00 0.00 C ATOM 756 C LYS A 49 10.372 -4.192 7.362 1.00 0.00 C ATOM 757 O LYS A 49 10.432 -4.407 6.151 1.00 0.00 O ATOM 758 CB LYS A 49 10.800 -2.426 9.081 1.00 0.00 C ATOM 759 CG LYS A 49 10.887 -2.927 10.513 1.00 0.00 C ATOM 760 CD LYS A 49 12.079 -2.329 11.241 1.00 0.00 C ATOM 761 CE LYS A 49 11.676 -1.121 12.072 1.00 0.00 C ATOM 762 NZ LYS A 49 12.658 -0.839 13.155 1.00 0.00 N ATOM 0 H LYS A 49 13.218 -2.860 7.062 1.00 0.00 H new ATOM 0 HA LYS A 49 12.120 -4.048 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.280 -1.449 9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.752 -2.284 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.970 -2.673 11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.966 -4.014 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.528 -3.083 11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.840 -2.037 10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.589 -0.248 11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.693 -1.293 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.347 -0.008 13.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.723 -1.662 13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.591 -0.649 12.737 1.00 0.00 H new ATOM 776 N ASP A 50 9.390 -4.650 8.131 1.00 0.00 N ATOM 777 CA ASP A 50 8.300 -5.448 7.583 1.00 0.00 C ATOM 778 C ASP A 50 7.514 -4.655 6.544 1.00 0.00 C ATOM 779 O ASP A 50 6.751 -5.222 5.761 1.00 0.00 O ATOM 780 CB ASP A 50 7.367 -5.912 8.703 1.00 0.00 C ATOM 781 CG ASP A 50 7.862 -7.172 9.384 1.00 0.00 C ATOM 782 OD1 ASP A 50 7.557 -8.276 8.885 1.00 0.00 O ATOM 783 OD2 ASP A 50 8.555 -7.055 10.416 1.00 0.00 O ATOM 0 H ASP A 50 9.327 -4.482 9.135 1.00 0.00 H new ATOM 0 HA ASP A 50 8.732 -6.322 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.269 -5.117 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.373 -6.091 8.293 1.00 0.00 H new ATOM 788 N TYR A 51 7.704 -3.340 6.543 1.00 0.00 N ATOM 789 CA TYR A 51 7.010 -2.469 5.603 1.00 0.00 C ATOM 790 C TYR A 51 7.959 -1.974 4.516 1.00 0.00 C ATOM 791 O TYR A 51 9.118 -2.384 4.455 1.00 0.00 O ATOM 792 CB TYR A 51 6.393 -1.278 6.338 1.00 0.00 C ATOM 793 CG TYR A 51 7.365 -0.559 7.248 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.235 0.400 6.748 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.411 -0.840 8.608 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.125 1.059 7.575 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.296 -0.186 9.443 1.00 0.00 C ATOM 798 CZ TYR A 51 9.151 0.762 8.922 1.00 0.00 C ATOM 799 OH TYR A 51 10.034 1.416 9.750 1.00 0.00 O ATOM 0 H TYR A 51 8.333 -2.854 7.183 1.00 0.00 H new ATOM 0 HA TYR A 51 6.216 -3.047 5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.004 -0.571 5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.545 -1.625 6.928 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.216 0.635 5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.743 -1.583 9.019 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.796 1.802 7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.318 -0.416 10.498 1.00 0.00 H new ATOM 0 HH TYR A 51 9.923 1.091 10.668 1.00 0.00 H new ATOM 809 N ALA A 52 7.459 -1.087 3.661 1.00 0.00 N ATOM 810 CA ALA A 52 8.263 -0.533 2.578 1.00 0.00 C ATOM 811 C ALA A 52 7.911 0.930 2.328 1.00 0.00 C ATOM 812 O ALA A 52 6.831 1.392 2.697 1.00 0.00 O ATOM 813 CB ALA A 52 8.071 -1.348 1.308 1.00 0.00 C ATOM 0 H ALA A 52 6.502 -0.737 3.697 1.00 0.00 H new ATOM 0 HA ALA A 52 9.311 -0.583 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.677 -0.923 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.377 -2.379 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.021 -1.327 1.018 1.00 0.00 H new ATOM 819 N PHE A 53 8.831 1.655 1.700 1.00 0.00 N ATOM 820 CA PHE A 53 8.619 3.067 1.402 1.00 0.00 C ATOM 821 C PHE A 53 8.661 3.317 -0.102 1.00 0.00 C ATOM 822 O PHE A 53 9.725 3.277 -0.720 1.00 0.00 O ATOM 823 CB PHE A 53 9.677 3.922 2.103 1.00 0.00 C ATOM 824 CG PHE A 53 9.428 4.097 3.574 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.190 4.513 4.036 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.434 3.846 4.495 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.959 4.674 5.389 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.207 4.005 5.849 1.00 0.00 C ATOM 829 CZ PHE A 53 8.968 4.421 6.296 1.00 0.00 C ATOM 0 H PHE A 53 9.730 1.288 1.388 1.00 0.00 H new ATOM 0 HA PHE A 53 7.633 3.347 1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.656 3.464 1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.712 4.903 1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.397 4.714 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.405 3.523 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.989 4.998 5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.998 3.804 6.557 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.789 4.548 7.353 1.00 0.00 H new ATOM 839 N VAL A 54 7.495 3.576 -0.686 1.00 0.00 N ATOM 840 CA VAL A 54 7.397 3.834 -2.117 1.00 0.00 C ATOM 841 C VAL A 54 6.908 5.252 -2.388 1.00 0.00 C ATOM 842 O VAL A 54 6.041 5.767 -1.681 1.00 0.00 O ATOM 843 CB VAL A 54 6.447 2.835 -2.804 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.359 3.120 -4.295 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.906 1.406 -2.553 1.00 0.00 C ATOM 0 H VAL A 54 6.605 3.613 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 54 8.399 3.713 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 54 5.451 2.954 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.683 2.404 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.981 4.131 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.349 3.030 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.224 0.713 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.911 1.271 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.912 1.209 -1.481 1.00 0.00 H new ATOM 855 N HIS A 55 7.469 5.879 -3.417 1.00 0.00 N ATOM 856 CA HIS A 55 7.088 7.239 -3.783 1.00 0.00 C ATOM 857 C HIS A 55 6.379 7.260 -5.135 1.00 0.00 C ATOM 858 O HIS A 55 6.645 6.426 -5.999 1.00 0.00 O ATOM 859 CB HIS A 55 8.322 8.141 -3.827 1.00 0.00 C ATOM 860 CG HIS A 55 8.846 8.507 -2.473 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.743 9.776 -1.943 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.477 7.760 -1.537 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.291 9.794 -0.741 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.744 8.584 -0.471 1.00 0.00 N ATOM 0 H HIS A 55 8.188 5.468 -4.012 1.00 0.00 H new ATOM 0 HA HIS A 55 6.399 7.614 -3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.109 7.638 -4.388 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.076 9.053 -4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.724 6.712 -1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.357 10.653 -0.090 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.216 8.306 0.390 1.00 0.00 H new ATOM 872 N PHE A 56 5.476 8.219 -5.307 1.00 0.00 N ATOM 873 CA PHE A 56 4.727 8.348 -6.552 1.00 0.00 C ATOM 874 C PHE A 56 4.868 9.753 -7.128 1.00 0.00 C ATOM 875 O PHE A 56 5.106 10.714 -6.397 1.00 0.00 O ATOM 876 CB PHE A 56 3.249 8.026 -6.319 1.00 0.00 C ATOM 877 CG PHE A 56 2.969 6.555 -6.197 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.219 5.885 -5.010 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.453 5.844 -7.268 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.962 4.532 -4.895 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.193 4.491 -7.159 1.00 0.00 C ATOM 882 CZ PHE A 56 2.448 3.834 -5.970 1.00 0.00 C ATOM 0 H PHE A 56 5.245 8.918 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 56 5.138 7.637 -7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.915 8.528 -5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.662 8.433 -7.143 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.619 6.426 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.252 6.353 -8.199 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.163 4.021 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.791 3.948 -8.002 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.246 2.777 -5.882 1.00 0.00 H new ATOM 892 N GLU A 57 4.719 9.864 -8.446 1.00 0.00 N ATOM 893 CA GLU A 57 4.831 11.152 -9.121 1.00 0.00 C ATOM 894 C GLU A 57 3.867 12.169 -8.516 1.00 0.00 C ATOM 895 O GLU A 57 4.105 13.375 -8.573 1.00 0.00 O ATOM 896 CB GLU A 57 4.552 10.995 -10.616 1.00 0.00 C ATOM 897 CG GLU A 57 5.760 11.280 -11.494 1.00 0.00 C ATOM 898 CD GLU A 57 5.921 12.756 -11.803 1.00 0.00 C ATOM 899 OE1 GLU A 57 5.025 13.327 -12.459 1.00 0.00 O ATOM 900 OE2 GLU A 57 6.942 13.341 -11.386 1.00 0.00 O ATOM 0 H GLU A 57 4.521 9.078 -9.066 1.00 0.00 H new ATOM 0 HA GLU A 57 5.849 11.517 -8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.206 9.979 -10.808 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.742 11.667 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.659 10.916 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.665 10.725 -12.428 1.00 0.00 H new ATOM 907 N ASP A 58 2.779 11.672 -7.939 1.00 0.00 N ATOM 908 CA ASP A 58 1.778 12.536 -7.324 1.00 0.00 C ATOM 909 C ASP A 58 0.916 11.753 -6.338 1.00 0.00 C ATOM 910 O ASP A 58 1.214 10.604 -6.015 1.00 0.00 O ATOM 911 CB ASP A 58 0.895 13.174 -8.398 1.00 0.00 C ATOM 912 CG ASP A 58 0.775 14.677 -8.231 1.00 0.00 C ATOM 913 OD1 ASP A 58 0.003 15.118 -7.354 1.00 0.00 O ATOM 914 OD2 ASP A 58 1.455 15.412 -8.977 1.00 0.00 O ATOM 0 H ASP A 58 2.567 10.676 -7.884 1.00 0.00 H new ATOM 0 HA ASP A 58 2.299 13.323 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.308 12.952 -9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.098 12.727 -8.361 1.00 0.00 H new ATOM 919 N ARG A 59 -0.153 12.385 -5.863 1.00 0.00 N ATOM 920 CA ARG A 59 -1.056 11.748 -4.912 1.00 0.00 C ATOM 921 C ARG A 59 -2.098 10.902 -5.637 1.00 0.00 C ATOM 922 O ARG A 59 -2.513 9.853 -5.144 1.00 0.00 O ATOM 923 CB ARG A 59 -1.751 12.804 -4.051 1.00 0.00 C ATOM 924 CG ARG A 59 -2.797 12.230 -3.110 1.00 0.00 C ATOM 925 CD ARG A 59 -3.494 13.326 -2.318 1.00 0.00 C ATOM 926 NE ARG A 59 -3.958 14.412 -3.177 1.00 0.00 N ATOM 927 CZ ARG A 59 -5.069 14.351 -3.902 1.00 0.00 C ATOM 928 NH1 ARG A 59 -5.826 13.263 -3.872 1.00 0.00 N ATOM 929 NH2 ARG A 59 -5.425 15.381 -4.660 1.00 0.00 N ATOM 0 H ARG A 59 -0.414 13.337 -6.121 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.466 11.095 -4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.000 13.335 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.225 13.538 -4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.535 11.668 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.324 11.528 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.342 12.901 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.809 13.724 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.398 15.264 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.556 12.470 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.679 13.219 -4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.845 16.220 -4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.278 15.334 -5.217 1.00 0.00 H new ATOM 943 N GLY A 60 -2.519 11.364 -6.810 1.00 0.00 N ATOM 944 CA GLY A 60 -3.509 10.638 -7.583 1.00 0.00 C ATOM 945 C GLY A 60 -3.037 9.251 -7.973 1.00 0.00 C ATOM 946 O GLY A 60 -3.848 8.364 -8.242 1.00 0.00 O ATOM 0 H GLY A 60 -2.192 12.229 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.429 10.556 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.749 11.204 -8.484 1.00 0.00 H new ATOM 950 N ALA A 61 -1.721 9.063 -8.006 1.00 0.00 N ATOM 951 CA ALA A 61 -1.143 7.775 -8.366 1.00 0.00 C ATOM 952 C ALA A 61 -0.999 6.875 -7.143 1.00 0.00 C ATOM 953 O ALA A 61 -1.027 5.650 -7.255 1.00 0.00 O ATOM 954 CB ALA A 61 0.207 7.972 -9.041 1.00 0.00 C ATOM 0 H ALA A 61 -1.036 9.787 -7.788 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.819 7.285 -9.066 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.627 7.001 -9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.079 8.569 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.883 8.487 -8.359 1.00 0.00 H new ATOM 960 N ALA A 62 -0.846 7.493 -5.976 1.00 0.00 N ATOM 961 CA ALA A 62 -0.698 6.748 -4.732 1.00 0.00 C ATOM 962 C ALA A 62 -2.058 6.337 -4.174 1.00 0.00 C ATOM 963 O ALA A 62 -2.229 5.217 -3.692 1.00 0.00 O ATOM 964 CB ALA A 62 0.066 7.575 -3.709 1.00 0.00 C ATOM 0 H ALA A 62 -0.821 8.507 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.132 5.841 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.169 7.006 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.055 7.814 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.478 8.498 -3.508 1.00 0.00 H new ATOM 970 N VAL A 63 -3.021 7.250 -4.242 1.00 0.00 N ATOM 971 CA VAL A 63 -4.364 6.983 -3.744 1.00 0.00 C ATOM 972 C VAL A 63 -5.086 5.971 -4.627 1.00 0.00 C ATOM 973 O VAL A 63 -5.633 4.983 -4.137 1.00 0.00 O ATOM 974 CB VAL A 63 -5.203 8.273 -3.669 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.609 7.969 -3.175 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.524 9.298 -2.773 1.00 0.00 C ATOM 0 H VAL A 63 -2.896 8.182 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.253 6.572 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.280 8.694 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.186 8.893 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.093 7.273 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.557 7.524 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.130 10.203 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.415 8.888 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.540 9.538 -3.176 1.00 0.00 H new ATOM 986 N LYS A 64 -5.083 6.224 -5.931 1.00 0.00 N ATOM 987 CA LYS A 64 -5.736 5.335 -6.884 1.00 0.00 C ATOM 988 C LYS A 64 -5.185 3.917 -6.771 1.00 0.00 C ATOM 989 O LYS A 64 -5.879 2.947 -7.073 1.00 0.00 O ATOM 990 CB LYS A 64 -5.544 5.855 -8.311 1.00 0.00 C ATOM 991 CG LYS A 64 -6.107 4.929 -9.376 1.00 0.00 C ATOM 992 CD LYS A 64 -5.007 4.138 -10.064 1.00 0.00 C ATOM 993 CE LYS A 64 -5.576 2.993 -10.887 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.376 3.483 -12.043 1.00 0.00 N ATOM 0 H LYS A 64 -4.635 7.038 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.801 5.312 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.021 6.831 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.480 6.002 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.821 4.242 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.654 5.514 -10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.430 4.800 -10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.319 3.743 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.761 2.367 -11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.202 2.366 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.746 2.672 -12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.169 4.060 -11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.773 4.060 -12.663 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.935 3.806 -6.332 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.295 2.506 -6.175 1.00 0.00 C ATOM 1010 C ALA A 65 -3.624 1.892 -4.819 1.00 0.00 C ATOM 1011 O ALA A 65 -4.174 0.794 -4.741 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.788 2.637 -6.347 1.00 0.00 C ATOM 0 H ALA A 65 -3.347 4.600 -6.079 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.682 1.842 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.322 1.659 -6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.568 3.025 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.394 3.321 -5.595 1.00 0.00 H new ATOM 1018 N MET A 66 -3.282 2.606 -3.752 1.00 0.00 N ATOM 1019 CA MET A 66 -3.542 2.131 -2.398 1.00 0.00 C ATOM 1020 C MET A 66 -5.020 1.807 -2.211 1.00 0.00 C ATOM 1021 O MET A 66 -5.383 0.982 -1.373 1.00 0.00 O ATOM 1022 CB MET A 66 -3.103 3.179 -1.373 1.00 0.00 C ATOM 1023 CG MET A 66 -3.532 2.856 0.048 1.00 0.00 C ATOM 1024 SD MET A 66 -5.049 3.704 0.526 1.00 0.00 S ATOM 1025 CE MET A 66 -4.428 5.354 0.843 1.00 0.00 C ATOM 0 H MET A 66 -2.824 3.516 -3.799 1.00 0.00 H new ATOM 0 HA MET A 66 -2.966 1.219 -2.243 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.017 3.273 -1.404 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.515 4.148 -1.657 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.676 1.780 0.144 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.733 3.133 0.736 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.160 5.912 1.426 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.493 5.290 1.399 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.253 5.865 -0.104 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.869 2.464 -2.994 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.309 2.246 -2.914 1.00 0.00 C ATOM 1037 C ASP A 67 -7.660 0.803 -3.265 1.00 0.00 C ATOM 1038 O ASP A 67 -8.515 0.190 -2.627 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.045 3.205 -3.851 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.431 4.500 -3.165 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.904 4.444 -2.010 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -8.259 5.572 -3.783 1.00 0.00 O ATOM 0 H ASP A 67 -5.585 3.152 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.624 2.439 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.412 3.427 -4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.942 2.718 -4.233 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.994 0.268 -4.284 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.238 -1.101 -4.720 1.00 0.00 C ATOM 1049 C GLU A 68 -6.289 -2.072 -4.023 1.00 0.00 C ATOM 1050 O GLU A 68 -6.713 -3.098 -3.494 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.076 -1.214 -6.237 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.993 -0.287 -7.017 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.458 -0.648 -6.860 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.746 -1.759 -6.369 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.315 0.182 -7.227 1.00 0.00 O ATOM 0 H GLU A 68 -6.282 0.762 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.261 -1.363 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.041 -0.995 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.271 -2.243 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.837 0.738 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.725 -0.321 -8.073 1.00 0.00 H new ATOM 1062 N MET A 69 -5.003 -1.738 -4.028 1.00 0.00 N ATOM 1063 CA MET A 69 -3.992 -2.579 -3.396 1.00 0.00 C ATOM 1064 C MET A 69 -4.380 -2.905 -1.957 1.00 0.00 C ATOM 1065 O MET A 69 -4.035 -3.964 -1.436 1.00 0.00 O ATOM 1066 CB MET A 69 -2.629 -1.886 -3.425 1.00 0.00 C ATOM 1067 CG MET A 69 -2.062 -1.720 -4.826 1.00 0.00 C ATOM 1068 SD MET A 69 -1.584 -3.290 -5.572 1.00 0.00 S ATOM 1069 CE MET A 69 -0.251 -3.790 -4.485 1.00 0.00 C ATOM 0 H MET A 69 -4.636 -0.891 -4.462 1.00 0.00 H new ATOM 0 HA MET A 69 -3.928 -3.511 -3.957 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.719 -0.904 -2.960 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.925 -2.461 -2.823 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.804 -1.233 -5.459 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.194 -1.062 -4.787 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.646 -3.981 -5.074 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.051 -2.996 -3.765 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.536 -4.698 -3.954 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.098 -1.986 -1.320 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.531 -2.177 0.060 1.00 0.00 C ATOM 1081 C ASN A 70 -6.341 -3.461 0.204 1.00 0.00 C ATOM 1082 O ASN A 70 -7.526 -3.501 -0.125 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.365 -0.980 0.524 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.175 -1.288 1.769 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.370 -1.000 1.833 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.525 -1.876 2.766 1.00 0.00 N ATOM 0 H ASN A 70 -5.392 -1.103 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.642 -2.258 0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.705 -0.136 0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.038 -0.676 -0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.017 -2.107 3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.534 -2.096 2.669 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.691 -4.511 0.699 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.366 -5.784 0.879 1.00 0.00 C ATOM 1095 C GLY A 71 -6.103 -6.745 -0.263 1.00 0.00 C ATOM 1096 O GLY A 71 -7.031 -7.348 -0.803 1.00 0.00 O ATOM 0 H GLY A 71 -4.710 -4.503 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.037 -6.237 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.439 -5.614 0.967 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.835 -6.889 -0.633 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.451 -7.784 -1.719 1.00 0.00 C ATOM 1102 C LYS A 72 -3.618 -8.948 -1.194 1.00 0.00 C ATOM 1103 O LYS A 72 -3.272 -8.993 -0.014 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.663 -7.018 -2.783 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.526 -6.493 -3.919 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.736 -7.547 -4.993 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.631 -7.505 -6.038 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.179 -7.456 -7.421 1.00 0.00 N ATOM 0 H LYS A 72 -4.055 -6.397 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.361 -8.184 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.150 -6.180 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.894 -7.672 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.492 -6.175 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.055 -5.613 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.767 -8.535 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.701 -7.390 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.001 -6.632 -5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.995 -8.384 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.395 -7.428 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.760 -8.301 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.765 -6.604 -7.532 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.298 -9.887 -2.080 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.504 -11.051 -1.705 1.00 0.00 C ATOM 1124 C GLU A 73 -1.263 -11.170 -2.584 1.00 0.00 C ATOM 1125 O GLU A 73 -1.323 -11.711 -3.689 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.343 -12.325 -1.813 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.536 -13.602 -1.650 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.384 -14.851 -1.794 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -4.547 -14.835 -1.338 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.884 -15.844 -2.362 1.00 0.00 O ATOM 0 H GLU A 73 -3.576 -9.864 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.184 -10.922 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.125 -12.300 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.840 -12.341 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.739 -13.621 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.058 -13.603 -0.670 1.00 0.00 H new ATOM 1137 N ILE A 74 -0.141 -10.661 -2.088 1.00 0.00 N ATOM 1138 CA ILE A 74 1.114 -10.711 -2.828 1.00 0.00 C ATOM 1139 C ILE A 74 2.012 -11.832 -2.314 1.00 0.00 C ATOM 1140 O ILE A 74 2.276 -11.928 -1.117 1.00 0.00 O ATOM 1141 CB ILE A 74 1.875 -9.376 -2.735 1.00 0.00 C ATOM 1142 CG1 ILE A 74 0.979 -8.220 -3.185 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.142 -9.429 -3.576 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.635 -6.862 -3.058 1.00 0.00 C ATOM 0 H ILE A 74 -0.075 -10.209 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 74 0.858 -10.903 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 74 2.158 -9.208 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.689 -8.379 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.063 -8.229 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.669 -8.478 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.786 -10.231 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.880 -9.616 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.942 -6.090 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.900 -6.682 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.535 -6.834 -3.672 1.00 0.00 H new ATOM 1156 N GLU A 75 2.478 -12.676 -3.230 1.00 0.00 N ATOM 1157 CA GLU A 75 3.347 -13.790 -2.869 1.00 0.00 C ATOM 1158 C GLU A 75 2.711 -14.643 -1.775 1.00 0.00 C ATOM 1159 O GLU A 75 3.402 -15.165 -0.900 1.00 0.00 O ATOM 1160 CB GLU A 75 4.709 -13.272 -2.402 1.00 0.00 C ATOM 1161 CG GLU A 75 5.875 -14.131 -2.859 1.00 0.00 C ATOM 1162 CD GLU A 75 5.691 -15.596 -2.515 1.00 0.00 C ATOM 1163 OE1 GLU A 75 6.034 -15.988 -1.380 1.00 0.00 O ATOM 1164 OE2 GLU A 75 5.203 -16.351 -3.381 1.00 0.00 O ATOM 0 H GLU A 75 2.268 -12.609 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 75 3.487 -14.411 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.849 -12.257 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.714 -13.217 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.997 -14.027 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.793 -13.766 -2.398 1.00 0.00 H new ATOM 1171 N GLY A 76 1.390 -14.779 -1.830 1.00 0.00 N ATOM 1172 CA GLY A 76 0.683 -15.568 -0.840 1.00 0.00 C ATOM 1173 C GLY A 76 0.845 -15.018 0.564 1.00 0.00 C ATOM 1174 O GLY A 76 0.753 -15.758 1.542 1.00 0.00 O ATOM 0 H GLY A 76 0.797 -14.356 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.376 -15.600 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.049 -16.594 -0.869 1.00 0.00 H new ATOM 1178 N GLU A 77 1.091 -13.715 0.662 1.00 0.00 N ATOM 1179 CA GLU A 77 1.269 -13.067 1.957 1.00 0.00 C ATOM 1180 C GLU A 77 0.305 -11.895 2.116 1.00 0.00 C ATOM 1181 O GLU A 77 0.164 -11.067 1.215 1.00 0.00 O ATOM 1182 CB GLU A 77 2.712 -12.580 2.113 1.00 0.00 C ATOM 1183 CG GLU A 77 3.679 -13.670 2.544 1.00 0.00 C ATOM 1184 CD GLU A 77 3.588 -13.979 4.026 1.00 0.00 C ATOM 1185 OE1 GLU A 77 2.880 -13.241 4.744 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.227 -14.957 4.467 1.00 0.00 O ATOM 0 H GLU A 77 1.172 -13.088 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 77 1.054 -13.800 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.049 -12.161 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.737 -11.773 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.475 -14.577 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.697 -13.364 2.302 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.356 -11.833 3.267 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.308 -10.763 3.544 1.00 0.00 C ATOM 1195 C GLU A 78 -0.606 -9.410 3.597 1.00 0.00 C ATOM 1196 O GLU A 78 0.068 -9.087 4.577 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.035 -11.026 4.864 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.161 -12.040 4.748 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.091 -12.018 5.945 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -3.649 -11.592 7.033 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.262 -12.426 5.795 1.00 0.00 O ATOM 0 H GLU A 78 -0.250 -12.510 4.022 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.037 -10.742 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.314 -11.379 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.441 -10.086 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.735 -11.839 3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.736 -13.038 4.641 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.766 -8.624 2.538 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.148 -7.305 2.465 1.00 0.00 C ATOM 1210 C ILE A 79 -1.086 -6.228 3.001 1.00 0.00 C ATOM 1211 O ILE A 79 -2.244 -6.143 2.595 1.00 0.00 O ATOM 1212 CB ILE A 79 0.251 -6.951 1.021 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.966 -7.028 0.097 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.353 -7.880 0.533 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -1.306 -5.712 -0.566 1.00 0.00 C ATOM 0 H ILE A 79 -1.318 -8.877 1.719 1.00 0.00 H new ATOM 0 HA ILE A 79 0.749 -7.341 3.083 1.00 0.00 H new ATOM 0 HB ILE A 79 0.630 -5.929 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.780 -7.776 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.827 -7.369 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.624 -7.617 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.226 -7.779 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.999 -8.911 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.179 -5.842 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.524 -4.965 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.461 -5.379 -1.168 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.575 -5.407 3.912 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.367 -4.334 4.502 1.00 0.00 C ATOM 1229 C GLU A 80 -0.926 -2.974 3.966 1.00 0.00 C ATOM 1230 O GLU A 80 0.239 -2.783 3.614 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.244 -4.358 6.027 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.487 -3.863 6.746 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.692 -4.534 8.089 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -3.018 -5.740 8.107 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -2.524 -3.855 9.124 1.00 0.00 O ATOM 0 H GLU A 80 0.383 -5.464 4.258 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.410 -4.493 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.029 -5.377 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.394 -3.744 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.413 -2.785 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.360 -4.041 6.118 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.864 -2.035 3.909 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.572 -0.694 3.418 1.00 0.00 C ATOM 1244 C ILE A 81 -2.305 0.363 4.237 1.00 0.00 C ATOM 1245 O ILE A 81 -3.474 0.195 4.583 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.962 -0.541 1.935 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.376 -1.689 1.110 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.486 0.800 1.399 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.735 -1.621 -0.358 1.00 0.00 C ATOM 0 H ILE A 81 -2.832 -2.178 4.197 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.497 -0.547 3.520 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.048 -0.578 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.291 -1.682 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.728 -2.636 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.769 0.894 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.946 1.605 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.402 0.864 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.286 -2.465 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.819 -1.659 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.359 -0.690 -0.782 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.610 1.454 4.542 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.195 2.541 5.318 1.00 0.00 C ATOM 1263 C VAL A 82 -1.632 3.890 4.885 1.00 0.00 C ATOM 1264 O VAL A 82 -0.635 3.958 4.164 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.945 2.352 6.826 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.572 1.054 7.312 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.455 2.379 7.126 1.00 0.00 C ATOM 0 H VAL A 82 -0.641 1.609 4.264 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.269 2.522 5.131 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.415 3.177 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.385 0.937 8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.647 1.079 7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.134 0.214 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.297 2.244 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.040 1.575 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.039 3.337 6.816 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.275 4.963 5.331 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.838 6.313 4.991 1.00 0.00 C ATOM 1279 C LEU A 83 -0.717 6.772 5.918 1.00 0.00 C ATOM 1280 O LEU A 83 -0.890 6.830 7.135 1.00 0.00 O ATOM 1281 CB LEU A 83 -3.015 7.287 5.073 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.819 7.477 3.786 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.245 7.899 4.106 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.148 8.501 2.883 1.00 0.00 C ATOM 0 H LEU A 83 -3.101 4.925 5.929 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.457 6.299 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.693 6.942 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.635 8.259 5.388 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.853 6.524 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.803 8.030 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.724 7.131 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.231 8.840 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.734 8.623 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.082 9.457 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.146 8.158 2.626 1.00 0.00 H new ATOM 1296 N ALA A 84 0.430 7.101 5.333 1.00 0.00 N ATOM 1297 CA ALA A 84 1.578 7.560 6.107 1.00 0.00 C ATOM 1298 C ALA A 84 1.505 9.062 6.360 1.00 0.00 C ATOM 1299 O ALA A 84 1.739 9.866 5.457 1.00 0.00 O ATOM 1300 CB ALA A 84 2.872 7.206 5.390 1.00 0.00 C ATOM 0 H ALA A 84 0.589 7.058 4.326 1.00 0.00 H new ATOM 0 HA ALA A 84 1.560 7.055 7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.721 7.554 5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.935 6.125 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.888 7.685 4.411 1.00 0.00 H new