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 Set 1.1: A 35 SER OG : rot -140:sc= -0.397 USER MOD Set 1.2: A 69 MET CE :methyl -174:sc= -0.874 (180deg=-0.263) USER MOD Single : A 22 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.044) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0026 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0.818 (180deg=0.747) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -104:sc= 0.0905 (180deg=0) 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) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -151:sc= -0.221 (180deg=-1.11) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.514 9.565 0.218 1.00 0.00 N ATOM 211 CA VAL A 17 3.321 8.397 0.552 1.00 0.00 C ATOM 212 C VAL A 17 2.464 7.297 1.169 1.00 0.00 C ATOM 213 O VAL A 17 1.741 7.529 2.139 1.00 0.00 O ATOM 214 CB VAL A 17 4.456 8.760 1.528 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.313 7.539 1.826 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.301 9.892 0.964 1.00 0.00 C ATOM 0 HA VAL A 17 3.756 8.034 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 17 4.014 9.101 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.110 7.814 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.695 6.762 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.749 7.166 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.098 10.136 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.736 9.582 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.675 10.770 0.807 1.00 0.00 H new ATOM 226 N LEU A 18 2.553 6.099 0.603 1.00 0.00 N ATOM 227 CA LEU A 18 1.787 4.961 1.099 1.00 0.00 C ATOM 228 C LEU A 18 2.653 4.061 1.975 1.00 0.00 C ATOM 229 O LEU A 18 3.758 3.679 1.589 1.00 0.00 O ATOM 230 CB LEU A 18 1.216 4.157 -0.071 1.00 0.00 C ATOM 231 CG LEU A 18 0.622 4.972 -1.219 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.309 4.073 -2.405 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.630 5.706 -0.760 1.00 0.00 C ATOM 0 H LEU A 18 3.147 5.890 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 18 0.965 5.344 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.008 3.525 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.443 3.492 0.314 1.00 0.00 H new ATOM 0 HG LEU A 18 1.358 5.712 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.113 4.670 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.225 3.593 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.409 3.311 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.040 6.281 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.371 4.983 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.377 6.380 0.058 1.00 0.00 H new ATOM 245 N PHE A 19 2.143 3.724 3.155 1.00 0.00 N ATOM 246 CA PHE A 19 2.869 2.868 4.085 1.00 0.00 C ATOM 247 C PHE A 19 2.424 1.415 3.949 1.00 0.00 C ATOM 248 O PHE A 19 1.394 1.016 4.492 1.00 0.00 O ATOM 249 CB PHE A 19 2.657 3.346 5.524 1.00 0.00 C ATOM 250 CG PHE A 19 3.692 2.835 6.484 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.038 3.086 6.271 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.320 2.105 7.601 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.993 2.616 7.152 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.270 1.633 8.487 1.00 0.00 C ATOM 255 CZ PHE A 19 5.608 1.891 8.263 1.00 0.00 C ATOM 0 H PHE A 19 1.230 4.031 3.490 1.00 0.00 H new ATOM 0 HA PHE A 19 3.930 2.928 3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.664 4.436 5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.671 3.028 5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.344 3.656 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.275 1.902 7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.039 2.815 6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.966 1.063 9.353 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.352 1.526 8.955 1.00 0.00 H new ATOM 265 N VAL A 20 3.208 0.628 3.219 1.00 0.00 N ATOM 266 CA VAL A 20 2.896 -0.781 3.011 1.00 0.00 C ATOM 267 C VAL A 20 3.555 -1.653 4.074 1.00 0.00 C ATOM 268 O VAL A 20 4.776 -1.805 4.096 1.00 0.00 O ATOM 269 CB VAL A 20 3.350 -1.256 1.618 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.849 -2.666 1.345 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.870 -0.293 0.543 1.00 0.00 C ATOM 0 H VAL A 20 4.064 0.942 2.762 1.00 0.00 H new ATOM 0 HA VAL A 20 1.813 -0.880 3.085 1.00 0.00 H new ATOM 0 HB VAL A 20 4.440 -1.273 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.180 -2.985 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.248 -3.346 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.760 -2.679 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.200 -0.645 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.781 -0.241 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.284 0.698 0.731 1.00 0.00 H new ATOM 281 N ARG A 21 2.737 -2.224 4.953 1.00 0.00 N ATOM 282 CA ARG A 21 3.241 -3.081 6.019 1.00 0.00 C ATOM 283 C ARG A 21 3.016 -4.553 5.687 1.00 0.00 C ATOM 284 O ARG A 21 2.286 -4.883 4.753 1.00 0.00 O ATOM 285 CB ARG A 21 2.558 -2.736 7.344 1.00 0.00 C ATOM 286 CG ARG A 21 3.440 -1.943 8.296 1.00 0.00 C ATOM 287 CD ARG A 21 2.679 -1.531 9.547 1.00 0.00 C ATOM 288 NE ARG A 21 3.579 -1.125 10.625 1.00 0.00 N ATOM 289 CZ ARG A 21 4.317 -1.978 11.326 1.00 0.00 C ATOM 290 NH1 ARG A 21 4.265 -3.277 11.063 1.00 0.00 N ATOM 291 NH2 ARG A 21 5.111 -1.533 12.291 1.00 0.00 N ATOM 0 H ARG A 21 1.724 -2.108 4.948 1.00 0.00 H new ATOM 0 HA ARG A 21 4.313 -2.908 6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.653 -2.164 7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.247 -3.659 7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.306 -2.543 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.818 -1.055 7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.005 -0.708 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.060 -2.362 9.885 1.00 0.00 H new ATOM 0 HE ARG A 21 3.644 -0.132 10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.657 -3.623 10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.833 -3.930 11.603 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.155 -0.535 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.677 -2.189 12.829 1.00 0.00 H new ATOM 305 N ASN A 22 3.648 -5.432 6.457 1.00 0.00 N ATOM 306 CA ASN A 22 3.518 -6.868 6.243 1.00 0.00 C ATOM 307 C ASN A 22 3.945 -7.248 4.828 1.00 0.00 C ATOM 308 O ASN A 22 3.107 -7.527 3.969 1.00 0.00 O ATOM 309 CB ASN A 22 2.076 -7.313 6.489 1.00 0.00 C ATOM 310 CG ASN A 22 1.731 -7.364 7.966 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.385 -8.058 8.744 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.698 -6.627 8.358 1.00 0.00 N ATOM 0 H ASN A 22 4.255 -5.175 7.235 1.00 0.00 H new ATOM 0 HA ASN A 22 4.173 -7.376 6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.396 -6.628 5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.922 -8.298 6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.419 -6.621 9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.184 -6.067 7.678 1.00 0.00 H new ATOM 319 N LEU A 23 5.253 -7.258 4.593 1.00 0.00 N ATOM 320 CA LEU A 23 5.791 -7.606 3.283 1.00 0.00 C ATOM 321 C LEU A 23 6.376 -9.014 3.290 1.00 0.00 C ATOM 322 O LEU A 23 6.387 -9.686 4.320 1.00 0.00 O ATOM 323 CB LEU A 23 6.864 -6.597 2.867 1.00 0.00 C ATOM 324 CG LEU A 23 6.364 -5.345 2.145 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.260 -4.672 2.944 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.513 -4.378 1.899 1.00 0.00 C ATOM 0 H LEU A 23 5.960 -7.029 5.292 1.00 0.00 H new ATOM 0 HA LEU A 23 4.974 -7.577 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.407 -6.285 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.580 -7.104 2.220 1.00 0.00 H new ATOM 0 HG LEU A 23 5.954 -5.644 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.917 -3.783 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.427 -5.364 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.643 -4.385 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.140 -3.493 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.953 -4.085 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.271 -4.863 1.284 1.00 0.00 H new ATOM 338 N ALA A 24 6.864 -9.452 2.133 1.00 0.00 N ATOM 339 CA ALA A 24 7.455 -10.779 2.008 1.00 0.00 C ATOM 340 C ALA A 24 8.977 -10.706 2.032 1.00 0.00 C ATOM 341 O ALA A 24 9.571 -9.734 1.564 1.00 0.00 O ATOM 342 CB ALA A 24 6.976 -11.451 0.729 1.00 0.00 C ATOM 0 H ALA A 24 6.862 -8.908 1.270 1.00 0.00 H new ATOM 0 HA ALA A 24 7.133 -11.376 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.425 -12.441 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.890 -11.546 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.269 -10.848 -0.131 1.00 0.00 H new ATOM 348 N THR A 25 9.606 -11.741 2.582 1.00 0.00 N ATOM 349 CA THR A 25 11.060 -11.793 2.669 1.00 0.00 C ATOM 350 C THR A 25 11.668 -12.337 1.382 1.00 0.00 C ATOM 351 O THR A 25 12.822 -12.051 1.059 1.00 0.00 O ATOM 352 CB THR A 25 11.520 -12.667 3.851 1.00 0.00 C ATOM 353 OG1 THR A 25 10.697 -12.418 4.996 1.00 0.00 O ATOM 354 CG2 THR A 25 12.976 -12.389 4.196 1.00 0.00 C ATOM 0 H THR A 25 9.131 -12.554 2.974 1.00 0.00 H new ATOM 0 HA THR A 25 11.405 -10.771 2.826 1.00 0.00 H new ATOM 0 HB THR A 25 11.426 -13.713 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.996 -12.979 5.742 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.278 -13.018 5.034 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.603 -12.609 3.332 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.091 -11.340 4.470 1.00 0.00 H new ATOM 362 N THR A 26 10.886 -13.122 0.648 1.00 0.00 N ATOM 363 CA THR A 26 11.349 -13.706 -0.604 1.00 0.00 C ATOM 364 C THR A 26 11.257 -12.700 -1.747 1.00 0.00 C ATOM 365 O THR A 26 12.044 -12.747 -2.693 1.00 0.00 O ATOM 366 CB THR A 26 10.535 -14.961 -0.974 1.00 0.00 C ATOM 367 OG1 THR A 26 9.134 -14.668 -0.925 1.00 0.00 O ATOM 368 CG2 THR A 26 10.851 -16.109 -0.028 1.00 0.00 C ATOM 0 H THR A 26 9.929 -13.368 0.899 1.00 0.00 H new ATOM 0 HA THR A 26 12.391 -13.989 -0.454 1.00 0.00 H new ATOM 0 HB THR A 26 10.808 -15.259 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.624 -15.470 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.265 -16.984 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.913 -16.349 -0.089 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.603 -15.818 0.993 1.00 0.00 H new ATOM 376 N VAL A 27 10.293 -11.791 -1.653 1.00 0.00 N ATOM 377 CA VAL A 27 10.100 -10.772 -2.677 1.00 0.00 C ATOM 378 C VAL A 27 11.261 -9.783 -2.694 1.00 0.00 C ATOM 379 O VAL A 27 12.022 -9.685 -1.732 1.00 0.00 O ATOM 380 CB VAL A 27 8.785 -10.000 -2.461 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.604 -10.958 -2.414 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.859 -9.169 -1.189 1.00 0.00 C ATOM 0 H VAL A 27 9.633 -11.739 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 27 10.054 -11.291 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 27 8.639 -9.323 -3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.684 -10.394 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.542 -11.505 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.739 -11.662 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.922 -8.630 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.029 -9.825 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.680 -8.456 -1.268 1.00 0.00 H new ATOM 392 N THR A 28 11.390 -9.050 -3.796 1.00 0.00 N ATOM 393 CA THR A 28 12.457 -8.068 -3.939 1.00 0.00 C ATOM 394 C THR A 28 11.906 -6.715 -4.373 1.00 0.00 C ATOM 395 O THR A 28 10.744 -6.605 -4.764 1.00 0.00 O ATOM 396 CB THR A 28 13.512 -8.531 -4.962 1.00 0.00 C ATOM 397 OG1 THR A 28 14.610 -7.613 -4.983 1.00 0.00 O ATOM 398 CG2 THR A 28 12.907 -8.638 -6.353 1.00 0.00 C ATOM 0 H THR A 28 10.769 -9.118 -4.602 1.00 0.00 H new ATOM 0 HA THR A 28 12.927 -7.968 -2.961 1.00 0.00 H new ATOM 0 HB THR A 28 13.869 -9.516 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.277 -7.915 -5.634 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.671 -8.966 -7.058 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.091 -9.360 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.525 -7.664 -6.660 1.00 0.00 H new ATOM 406 N GLU A 29 12.746 -5.688 -4.302 1.00 0.00 N ATOM 407 CA GLU A 29 12.341 -4.341 -4.687 1.00 0.00 C ATOM 408 C GLU A 29 11.766 -4.329 -6.101 1.00 0.00 C ATOM 409 O GLU A 29 10.931 -3.491 -6.435 1.00 0.00 O ATOM 410 CB GLU A 29 13.529 -3.382 -4.599 1.00 0.00 C ATOM 411 CG GLU A 29 13.751 -2.813 -3.208 1.00 0.00 C ATOM 412 CD GLU A 29 15.146 -2.247 -3.024 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.000 -2.481 -3.904 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.383 -1.572 -2.001 1.00 0.00 O ATOM 0 H GLU A 29 13.711 -5.763 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 29 11.566 -4.011 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.431 -3.905 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.374 -2.560 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.017 -2.029 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.580 -3.595 -2.468 1.00 0.00 H new ATOM 421 N GLU A 30 12.222 -5.267 -6.926 1.00 0.00 N ATOM 422 CA GLU A 30 11.755 -5.364 -8.305 1.00 0.00 C ATOM 423 C GLU A 30 10.281 -5.754 -8.352 1.00 0.00 C ATOM 424 O GLU A 30 9.452 -5.023 -8.897 1.00 0.00 O ATOM 425 CB GLU A 30 12.591 -6.385 -9.079 1.00 0.00 C ATOM 426 CG GLU A 30 12.969 -5.927 -10.478 1.00 0.00 C ATOM 427 CD GLU A 30 12.813 -7.024 -11.512 1.00 0.00 C ATOM 428 OE1 GLU A 30 13.263 -8.159 -11.246 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.242 -6.749 -12.588 1.00 0.00 O ATOM 0 H GLU A 30 12.913 -5.970 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 30 11.869 -4.385 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.501 -6.598 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.034 -7.319 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.347 -5.077 -10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.002 -5.579 -10.476 1.00 0.00 H new ATOM 436 N ILE A 31 9.962 -6.910 -7.781 1.00 0.00 N ATOM 437 CA ILE A 31 8.588 -7.397 -7.758 1.00 0.00 C ATOM 438 C ILE A 31 7.640 -6.343 -7.198 1.00 0.00 C ATOM 439 O ILE A 31 6.609 -6.037 -7.799 1.00 0.00 O ATOM 440 CB ILE A 31 8.461 -8.684 -6.920 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.379 -9.774 -7.477 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.016 -9.160 -6.899 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.643 -10.898 -6.500 1.00 0.00 C ATOM 0 H ILE A 31 10.636 -7.527 -7.328 1.00 0.00 H new ATOM 0 HA ILE A 31 8.314 -7.616 -8.790 1.00 0.00 H new ATOM 0 HB ILE A 31 8.767 -8.466 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.932 -10.187 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.329 -9.325 -7.767 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.941 -10.070 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.385 -8.387 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.686 -9.365 -7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.301 -11.634 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.118 -10.498 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.700 -11.373 -6.229 1.00 0.00 H new ATOM 455 N LEU A 32 7.995 -5.788 -6.044 1.00 0.00 N ATOM 456 CA LEU A 32 7.177 -4.766 -5.403 1.00 0.00 C ATOM 457 C LEU A 32 6.868 -3.629 -6.372 1.00 0.00 C ATOM 458 O LEU A 32 5.717 -3.219 -6.514 1.00 0.00 O ATOM 459 CB LEU A 32 7.889 -4.217 -4.165 1.00 0.00 C ATOM 460 CG LEU A 32 7.746 -5.042 -2.886 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.959 -4.854 -1.990 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.470 -4.663 -2.148 1.00 0.00 C ATOM 0 H LEU A 32 8.844 -6.029 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 32 6.237 -5.226 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.950 -4.120 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.512 -3.213 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 32 7.684 -6.095 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.838 -5.449 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.856 -5.176 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.054 -3.802 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.384 -5.260 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.502 -3.606 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.609 -4.852 -2.789 1.00 0.00 H new ATOM 474 N GLU A 33 7.904 -3.125 -7.035 1.00 0.00 N ATOM 475 CA GLU A 33 7.741 -2.037 -7.992 1.00 0.00 C ATOM 476 C GLU A 33 6.905 -2.484 -9.188 1.00 0.00 C ATOM 477 O GLU A 33 6.074 -1.730 -9.695 1.00 0.00 O ATOM 478 CB GLU A 33 9.108 -1.540 -8.468 1.00 0.00 C ATOM 479 CG GLU A 33 9.683 -0.424 -7.611 1.00 0.00 C ATOM 480 CD GLU A 33 11.153 -0.177 -7.884 1.00 0.00 C ATOM 481 OE1 GLU A 33 11.902 -1.166 -8.033 1.00 0.00 O ATOM 482 OE2 GLU A 33 11.556 1.003 -7.949 1.00 0.00 O ATOM 0 H GLU A 33 8.864 -3.452 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 33 7.219 -1.221 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.807 -2.377 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.019 -1.188 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.124 0.494 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.550 -0.674 -6.558 1.00 0.00 H new ATOM 489 N LYS A 34 7.130 -3.715 -9.633 1.00 0.00 N ATOM 490 CA LYS A 34 6.399 -4.265 -10.768 1.00 0.00 C ATOM 491 C LYS A 34 4.893 -4.170 -10.542 1.00 0.00 C ATOM 492 O LYS A 34 4.117 -4.093 -11.494 1.00 0.00 O ATOM 493 CB LYS A 34 6.800 -5.723 -11.001 1.00 0.00 C ATOM 494 CG LYS A 34 7.172 -6.028 -12.442 1.00 0.00 C ATOM 495 CD LYS A 34 8.662 -6.283 -12.591 1.00 0.00 C ATOM 496 CE LYS A 34 9.001 -7.751 -12.382 1.00 0.00 C ATOM 497 NZ LYS A 34 9.919 -8.265 -13.435 1.00 0.00 N ATOM 0 H LYS A 34 7.814 -4.352 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 34 6.654 -3.679 -11.651 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.645 -5.966 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.975 -6.370 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.616 -6.901 -12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.879 -5.193 -13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.988 -5.971 -13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.210 -5.676 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.463 -7.881 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.083 -8.339 -12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.004 -9.298 -13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.538 -8.028 -14.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.856 -7.829 -13.321 1.00 0.00 H new ATOM 511 N SER A 35 4.488 -4.175 -9.276 1.00 0.00 N ATOM 512 CA SER A 35 3.074 -4.091 -8.926 1.00 0.00 C ATOM 513 C SER A 35 2.556 -2.667 -9.097 1.00 0.00 C ATOM 514 O SER A 35 1.771 -2.384 -10.002 1.00 0.00 O ATOM 515 CB SER A 35 2.856 -4.557 -7.485 1.00 0.00 C ATOM 516 OG SER A 35 1.742 -3.905 -6.901 1.00 0.00 O ATOM 0 H SER A 35 5.118 -4.236 -8.476 1.00 0.00 H new ATOM 0 HA SER A 35 2.518 -4.744 -9.599 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.700 -5.636 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.750 -4.355 -6.895 1.00 0.00 H new ATOM 0 HG SER A 35 1.947 -3.679 -5.970 1.00 0.00 H new ATOM 522 N PHE A 36 3.000 -1.774 -8.218 1.00 0.00 N ATOM 523 CA PHE A 36 2.580 -0.378 -8.269 1.00 0.00 C ATOM 524 C PHE A 36 2.799 0.205 -9.662 1.00 0.00 C ATOM 525 O PHE A 36 2.056 1.081 -10.104 1.00 0.00 O ATOM 526 CB PHE A 36 3.349 0.445 -7.233 1.00 0.00 C ATOM 527 CG PHE A 36 3.234 -0.091 -5.836 1.00 0.00 C ATOM 528 CD1 PHE A 36 2.115 0.179 -5.065 1.00 0.00 C ATOM 529 CD2 PHE A 36 4.245 -0.868 -5.293 1.00 0.00 C ATOM 530 CE1 PHE A 36 2.007 -0.314 -3.778 1.00 0.00 C ATOM 531 CE2 PHE A 36 4.143 -1.364 -4.006 1.00 0.00 C ATOM 532 CZ PHE A 36 3.021 -1.087 -3.248 1.00 0.00 C ATOM 0 H PHE A 36 3.650 -1.992 -7.463 1.00 0.00 H new ATOM 0 HA PHE A 36 1.515 -0.336 -8.040 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.401 0.478 -7.515 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.982 1.471 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.318 0.782 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.123 -1.089 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.130 -0.095 -3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.939 -1.967 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.938 -1.474 -2.243 1.00 0.00 H new ATOM 542 N SER A 37 3.825 -0.287 -10.349 1.00 0.00 N ATOM 543 CA SER A 37 4.145 0.186 -11.690 1.00 0.00 C ATOM 544 C SER A 37 2.944 0.042 -12.619 1.00 0.00 C ATOM 545 O SER A 37 2.809 0.779 -13.595 1.00 0.00 O ATOM 546 CB SER A 37 5.338 -0.587 -12.257 1.00 0.00 C ATOM 547 OG SER A 37 5.523 -0.303 -13.632 1.00 0.00 O ATOM 0 H SER A 37 4.449 -1.014 -9.998 1.00 0.00 H new ATOM 0 HA SER A 37 4.405 1.242 -11.622 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.240 -0.326 -11.704 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.180 -1.657 -12.122 1.00 0.00 H new ATOM 0 HG SER A 37 6.292 -0.808 -13.970 1.00 0.00 H new ATOM 553 N GLU A 38 2.074 -0.913 -12.307 1.00 0.00 N ATOM 554 CA GLU A 38 0.884 -1.155 -13.114 1.00 0.00 C ATOM 555 C GLU A 38 -0.165 -0.073 -12.874 1.00 0.00 C ATOM 556 O GLU A 38 -0.995 0.205 -13.740 1.00 0.00 O ATOM 557 CB GLU A 38 0.295 -2.531 -12.795 1.00 0.00 C ATOM 558 CG GLU A 38 1.291 -3.668 -12.945 1.00 0.00 C ATOM 559 CD GLU A 38 1.031 -4.513 -14.178 1.00 0.00 C ATOM 560 OE1 GLU A 38 1.029 -3.949 -15.292 1.00 0.00 O ATOM 561 OE2 GLU A 38 0.828 -5.735 -14.029 1.00 0.00 O ATOM 0 H GLU A 38 2.171 -1.531 -11.502 1.00 0.00 H new ATOM 0 HA GLU A 38 1.176 -1.127 -14.164 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.087 -2.526 -11.774 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.555 -2.714 -13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.300 -3.258 -12.996 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.249 -4.302 -12.059 1.00 0.00 H new ATOM 568 N PHE A 39 -0.121 0.534 -11.693 1.00 0.00 N ATOM 569 CA PHE A 39 -1.068 1.584 -11.337 1.00 0.00 C ATOM 570 C PHE A 39 -0.609 2.936 -11.876 1.00 0.00 C ATOM 571 O PHE A 39 -1.369 3.646 -12.533 1.00 0.00 O ATOM 572 CB PHE A 39 -1.234 1.658 -9.818 1.00 0.00 C ATOM 573 CG PHE A 39 -2.071 0.547 -9.251 1.00 0.00 C ATOM 574 CD1 PHE A 39 -3.454 0.642 -9.237 1.00 0.00 C ATOM 575 CD2 PHE A 39 -1.477 -0.592 -8.734 1.00 0.00 C ATOM 576 CE1 PHE A 39 -4.226 -0.379 -8.716 1.00 0.00 C ATOM 577 CE2 PHE A 39 -2.244 -1.616 -8.212 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.621 -1.509 -8.204 1.00 0.00 C ATOM 0 H PHE A 39 0.561 0.317 -10.966 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.029 1.339 -11.789 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.249 1.634 -9.351 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.688 2.614 -9.556 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.933 1.523 -9.637 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.401 -0.681 -8.739 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.303 -0.293 -8.709 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.768 -2.498 -7.811 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.223 -2.308 -7.798 1.00 0.00 H new ATOM 588 N GLY A 40 0.643 3.286 -11.592 1.00 0.00 N ATOM 589 CA GLY A 40 1.182 4.551 -12.054 1.00 0.00 C ATOM 590 C GLY A 40 2.687 4.635 -11.887 1.00 0.00 C ATOM 591 O GLY A 40 3.269 3.921 -11.070 1.00 0.00 O ATOM 0 H GLY A 40 1.292 2.716 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.928 4.689 -13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.712 5.366 -11.503 1.00 0.00 H new ATOM 595 N LYS A 41 3.319 5.508 -12.664 1.00 0.00 N ATOM 596 CA LYS A 41 4.765 5.683 -12.599 1.00 0.00 C ATOM 597 C LYS A 41 5.219 5.929 -11.164 1.00 0.00 C ATOM 598 O LYS A 41 4.773 6.874 -10.513 1.00 0.00 O ATOM 599 CB LYS A 41 5.198 6.851 -13.489 1.00 0.00 C ATOM 600 CG LYS A 41 6.186 6.456 -14.573 1.00 0.00 C ATOM 601 CD LYS A 41 7.566 6.183 -13.997 1.00 0.00 C ATOM 602 CE LYS A 41 8.543 5.743 -15.075 1.00 0.00 C ATOM 603 NZ LYS A 41 9.938 5.659 -14.560 1.00 0.00 N ATOM 0 H LYS A 41 2.852 6.106 -13.346 1.00 0.00 H new ATOM 0 HA LYS A 41 5.234 4.767 -12.958 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.315 7.288 -13.956 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.646 7.625 -12.866 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.824 5.567 -15.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.251 7.252 -15.315 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.942 7.082 -13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.495 5.410 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.241 4.771 -15.464 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.505 6.445 -15.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.573 5.356 -15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.236 6.593 -14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.980 4.970 -13.782 1.00 0.00 H new ATOM 617 N LEU A 42 6.111 5.073 -10.677 1.00 0.00 N ATOM 618 CA LEU A 42 6.627 5.197 -9.318 1.00 0.00 C ATOM 619 C LEU A 42 7.763 6.214 -9.258 1.00 0.00 C ATOM 620 O LEU A 42 8.259 6.665 -10.290 1.00 0.00 O ATOM 621 CB LEU A 42 7.117 3.839 -8.810 1.00 0.00 C ATOM 622 CG LEU A 42 6.051 2.752 -8.669 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.692 1.417 -8.325 1.00 0.00 C ATOM 624 CD2 LEU A 42 5.028 3.143 -7.612 1.00 0.00 C ATOM 0 H LEU A 42 6.492 4.286 -11.203 1.00 0.00 H new ATOM 0 HA LEU A 42 5.816 5.546 -8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.889 3.477 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.589 3.985 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 42 5.536 2.649 -9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.918 0.656 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.385 1.132 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.233 1.505 -7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.277 2.358 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.528 3.275 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.545 4.077 -7.901 1.00 0.00 H new ATOM 636 N GLU A 43 8.169 6.569 -8.043 1.00 0.00 N ATOM 637 CA GLU A 43 9.247 7.531 -7.850 1.00 0.00 C ATOM 638 C GLU A 43 10.489 6.850 -7.283 1.00 0.00 C ATOM 639 O GLU A 43 11.598 7.044 -7.784 1.00 0.00 O ATOM 640 CB GLU A 43 8.796 8.655 -6.913 1.00 0.00 C ATOM 641 CG GLU A 43 8.941 10.043 -7.513 1.00 0.00 C ATOM 642 CD GLU A 43 10.291 10.667 -7.221 1.00 0.00 C ATOM 643 OE1 GLU A 43 11.298 10.205 -7.798 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.341 11.619 -6.413 1.00 0.00 O ATOM 0 H GLU A 43 7.768 6.205 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 43 9.498 7.956 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.753 8.493 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.377 8.604 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.798 9.985 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.155 10.688 -7.121 1.00 0.00 H new ATOM 651 N ARG A 44 10.296 6.054 -6.237 1.00 0.00 N ATOM 652 CA ARG A 44 11.401 5.346 -5.602 1.00 0.00 C ATOM 653 C ARG A 44 10.893 4.439 -4.484 1.00 0.00 C ATOM 654 O ARG A 44 10.019 4.822 -3.708 1.00 0.00 O ATOM 655 CB ARG A 44 12.418 6.341 -5.043 1.00 0.00 C ATOM 656 CG ARG A 44 13.544 5.686 -4.259 1.00 0.00 C ATOM 657 CD ARG A 44 14.419 6.721 -3.570 1.00 0.00 C ATOM 658 NE ARG A 44 14.917 7.726 -4.505 1.00 0.00 N ATOM 659 CZ ARG A 44 15.543 8.835 -4.128 1.00 0.00 C ATOM 660 NH1 ARG A 44 15.747 9.080 -2.841 1.00 0.00 N ATOM 661 NH2 ARG A 44 15.967 9.702 -5.039 1.00 0.00 N ATOM 0 H ARG A 44 9.385 5.883 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 44 11.886 4.728 -6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.845 6.913 -5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.902 7.051 -4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.125 5.009 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.154 5.082 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.848 7.211 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.262 6.222 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 44 14.776 7.568 -5.503 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.423 8.416 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.228 9.932 -2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.812 9.517 -6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.448 10.553 -4.748 1.00 0.00 H new ATOM 675 N VAL A 45 11.448 3.233 -4.410 1.00 0.00 N ATOM 676 CA VAL A 45 11.052 2.271 -3.388 1.00 0.00 C ATOM 677 C VAL A 45 12.244 1.862 -2.528 1.00 0.00 C ATOM 678 O VAL A 45 13.380 1.826 -2.999 1.00 0.00 O ATOM 679 CB VAL A 45 10.429 1.010 -4.015 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.885 0.090 -2.934 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.336 1.392 -5.002 1.00 0.00 C ATOM 0 H VAL A 45 12.173 2.899 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 45 10.307 2.762 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 45 11.206 0.472 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.449 -0.796 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.695 -0.209 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.120 0.614 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.906 0.489 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.557 1.952 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.760 2.009 -5.794 1.00 0.00 H new ATOM 691 N LYS A 46 11.975 1.555 -1.264 1.00 0.00 N ATOM 692 CA LYS A 46 13.023 1.145 -0.336 1.00 0.00 C ATOM 693 C LYS A 46 12.501 0.108 0.653 1.00 0.00 C ATOM 694 O LYS A 46 11.401 0.246 1.189 1.00 0.00 O ATOM 695 CB LYS A 46 13.565 2.359 0.421 1.00 0.00 C ATOM 696 CG LYS A 46 15.038 2.248 0.775 1.00 0.00 C ATOM 697 CD LYS A 46 15.914 2.274 -0.466 1.00 0.00 C ATOM 698 CE LYS A 46 16.890 3.441 -0.435 1.00 0.00 C ATOM 699 NZ LYS A 46 17.270 3.883 -1.806 1.00 0.00 N ATOM 0 H LYS A 46 11.040 1.582 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 46 13.829 0.695 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.412 3.252 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.989 2.492 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.317 3.069 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.212 1.323 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.467 1.338 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.286 2.347 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.441 4.275 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.786 3.151 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.936 4.679 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.721 3.095 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.419 4.184 -2.322 1.00 0.00 H new ATOM 713 N LYS A 47 13.295 -0.928 0.891 1.00 0.00 N ATOM 714 CA LYS A 47 12.916 -1.988 1.818 1.00 0.00 C ATOM 715 C LYS A 47 13.356 -1.652 3.239 1.00 0.00 C ATOM 716 O LYS A 47 14.527 -1.806 3.590 1.00 0.00 O ATOM 717 CB LYS A 47 13.531 -3.320 1.383 1.00 0.00 C ATOM 718 CG LYS A 47 12.616 -4.513 1.600 1.00 0.00 C ATOM 719 CD LYS A 47 12.658 -5.469 0.421 1.00 0.00 C ATOM 720 CE LYS A 47 11.832 -6.718 0.686 1.00 0.00 C ATOM 721 NZ LYS A 47 12.689 -7.917 0.899 1.00 0.00 N ATOM 0 H LYS A 47 14.208 -1.057 0.454 1.00 0.00 H new ATOM 0 HA LYS A 47 11.830 -2.076 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.793 -3.262 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.458 -3.479 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.912 -5.040 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.594 -4.166 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.283 -4.966 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.691 -5.751 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.206 -6.559 1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.162 -6.895 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.672 -8.512 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.666 -7.616 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.329 -8.462 1.709 1.00 0.00 H new ATOM 735 N LEU A 48 12.413 -1.193 4.054 1.00 0.00 N ATOM 736 CA LEU A 48 12.704 -0.836 5.438 1.00 0.00 C ATOM 737 C LEU A 48 11.784 -1.585 6.398 1.00 0.00 C ATOM 738 O LEU A 48 10.584 -1.319 6.460 1.00 0.00 O ATOM 739 CB LEU A 48 12.552 0.672 5.639 1.00 0.00 C ATOM 740 CG LEU A 48 13.727 1.533 5.175 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.000 1.140 5.907 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.916 1.409 3.670 1.00 0.00 C ATOM 0 H LEU A 48 11.440 -1.059 3.780 1.00 0.00 H new ATOM 0 HA LEU A 48 13.734 -1.122 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.656 1.000 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.385 0.862 6.699 1.00 0.00 H new ATOM 0 HG LEU A 48 13.505 2.574 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.825 1.764 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.861 1.280 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.228 0.093 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.756 2.028 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.116 0.369 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.011 1.741 3.161 1.00 0.00 H new ATOM 754 N LYS A 49 12.355 -2.520 7.149 1.00 0.00 N ATOM 755 CA LYS A 49 11.589 -3.305 8.109 1.00 0.00 C ATOM 756 C LYS A 49 10.531 -4.146 7.403 1.00 0.00 C ATOM 757 O LYS A 49 10.595 -4.353 6.191 1.00 0.00 O ATOM 758 CB LYS A 49 10.923 -2.385 9.135 1.00 0.00 C ATOM 759 CG LYS A 49 11.848 -1.310 9.678 1.00 0.00 C ATOM 760 CD LYS A 49 11.630 -1.085 11.165 1.00 0.00 C ATOM 761 CE LYS A 49 12.293 -2.174 11.996 1.00 0.00 C ATOM 762 NZ LYS A 49 12.626 -1.700 13.367 1.00 0.00 N ATOM 0 H LYS A 49 13.347 -2.753 7.111 1.00 0.00 H new ATOM 0 HA LYS A 49 12.277 -3.976 8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.057 -1.909 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.553 -2.987 9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.884 -1.597 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.679 -0.378 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.032 -0.113 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.561 -1.063 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.629 -3.036 12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.202 -2.509 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.076 -2.471 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.280 -0.893 13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.755 -1.404 13.853 1.00 0.00 H new ATOM 776 N ASP A 50 9.559 -4.629 8.168 1.00 0.00 N ATOM 777 CA ASP A 50 8.484 -5.446 7.615 1.00 0.00 C ATOM 778 C ASP A 50 7.688 -4.665 6.575 1.00 0.00 C ATOM 779 O ASP A 50 6.945 -5.245 5.783 1.00 0.00 O ATOM 780 CB ASP A 50 7.555 -5.929 8.730 1.00 0.00 C ATOM 781 CG ASP A 50 7.108 -4.801 9.639 1.00 0.00 C ATOM 782 OD1 ASP A 50 6.366 -3.916 9.163 1.00 0.00 O ATOM 783 OD2 ASP A 50 7.499 -4.802 10.825 1.00 0.00 O ATOM 0 H ASP A 50 9.493 -4.469 9.173 1.00 0.00 H new ATOM 0 HA ASP A 50 8.933 -6.311 7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.679 -6.405 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.066 -6.688 9.322 1.00 0.00 H new ATOM 788 N TYR A 51 7.846 -3.347 6.583 1.00 0.00 N ATOM 789 CA TYR A 51 7.140 -2.485 5.643 1.00 0.00 C ATOM 790 C TYR A 51 8.086 -1.959 4.569 1.00 0.00 C ATOM 791 O TYR A 51 9.253 -2.345 4.510 1.00 0.00 O ATOM 792 CB TYR A 51 6.488 -1.315 6.382 1.00 0.00 C ATOM 793 CG TYR A 51 7.440 -0.562 7.284 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.294 0.406 6.771 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.485 -0.818 8.649 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.166 1.096 7.590 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.353 -0.133 9.476 1.00 0.00 C ATOM 798 CZ TYR A 51 9.192 0.823 8.942 1.00 0.00 C ATOM 799 OH TYR A 51 10.058 1.509 9.762 1.00 0.00 O ATOM 0 H TYR A 51 8.458 -2.851 7.231 1.00 0.00 H new ATOM 0 HA TYR A 51 6.364 -3.078 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.069 -0.623 5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.657 -1.691 6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.276 0.623 5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.830 -1.566 9.070 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.824 1.845 7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.375 -0.344 10.535 1.00 0.00 H new ATOM 0 HH TYR A 51 9.950 1.198 10.685 1.00 0.00 H new ATOM 809 N ALA A 52 7.574 -1.073 3.720 1.00 0.00 N ATOM 810 CA ALA A 52 8.373 -0.490 2.649 1.00 0.00 C ATOM 811 C ALA A 52 7.981 0.961 2.399 1.00 0.00 C ATOM 812 O ALA A 52 6.880 1.387 2.750 1.00 0.00 O ATOM 813 CB ALA A 52 8.221 -1.306 1.374 1.00 0.00 C ATOM 0 H ALA A 52 6.609 -0.743 3.754 1.00 0.00 H new ATOM 0 HA ALA A 52 9.418 -0.509 2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.823 -0.860 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.557 -2.327 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.174 -1.317 1.071 1.00 0.00 H new ATOM 819 N PHE A 53 8.889 1.719 1.793 1.00 0.00 N ATOM 820 CA PHE A 53 8.638 3.125 1.498 1.00 0.00 C ATOM 821 C PHE A 53 8.679 3.381 -0.006 1.00 0.00 C ATOM 822 O PHE A 53 9.746 3.373 -0.620 1.00 0.00 O ATOM 823 CB PHE A 53 9.669 4.008 2.205 1.00 0.00 C ATOM 824 CG PHE A 53 9.379 4.216 3.664 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.138 4.668 4.080 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.348 3.959 4.620 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.869 4.861 5.422 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.086 4.150 5.963 1.00 0.00 C ATOM 829 CZ PHE A 53 8.844 4.600 6.365 1.00 0.00 C ATOM 0 H PHE A 53 9.805 1.383 1.497 1.00 0.00 H new ATOM 0 HA PHE A 53 7.642 3.375 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.656 3.557 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.707 4.978 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.371 4.872 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.321 3.605 4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.897 5.216 5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.852 3.948 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.635 4.748 7.414 1.00 0.00 H new ATOM 839 N VAL A 54 7.509 3.608 -0.593 1.00 0.00 N ATOM 840 CA VAL A 54 7.408 3.867 -2.025 1.00 0.00 C ATOM 841 C VAL A 54 6.873 5.269 -2.293 1.00 0.00 C ATOM 842 O VAL A 54 5.977 5.747 -1.597 1.00 0.00 O ATOM 843 CB VAL A 54 6.497 2.839 -2.719 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.400 3.130 -4.209 1.00 0.00 C ATOM 845 CG2 VAL A 54 7.006 1.426 -2.476 1.00 0.00 C ATOM 0 H VAL A 54 6.617 3.618 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 54 8.415 3.782 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 54 5.497 2.919 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.752 2.393 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.985 4.127 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.393 3.079 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.350 0.712 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.016 1.330 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.017 1.223 -1.405 1.00 0.00 H new ATOM 855 N HIS A 55 7.428 5.924 -3.309 1.00 0.00 N ATOM 856 CA HIS A 55 7.005 7.272 -3.671 1.00 0.00 C ATOM 857 C HIS A 55 6.307 7.276 -5.027 1.00 0.00 C ATOM 858 O HIS A 55 6.520 6.384 -5.849 1.00 0.00 O ATOM 859 CB HIS A 55 8.207 8.216 -3.700 1.00 0.00 C ATOM 860 CG HIS A 55 8.615 8.708 -2.345 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.357 9.987 -1.901 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.265 8.083 -1.336 1.00 0.00 C ATOM 863 CE1 HIS A 55 8.832 10.129 -0.675 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.388 8.988 -0.310 1.00 0.00 N ATOM 0 H HIS A 55 8.171 5.543 -3.895 1.00 0.00 H new ATOM 0 HA HIS A 55 6.298 7.619 -2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.051 7.702 -4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.971 9.072 -4.332 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.621 7.063 -1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.775 11.025 -0.075 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.836 8.808 0.588 1.00 0.00 H new ATOM 872 N PHE A 56 5.472 8.285 -5.255 1.00 0.00 N ATOM 873 CA PHE A 56 4.741 8.405 -6.512 1.00 0.00 C ATOM 874 C PHE A 56 4.898 9.803 -7.101 1.00 0.00 C ATOM 875 O PHE A 56 5.162 10.765 -6.381 1.00 0.00 O ATOM 876 CB PHE A 56 3.259 8.093 -6.295 1.00 0.00 C ATOM 877 CG PHE A 56 2.971 6.627 -6.140 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.224 5.982 -4.939 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.446 5.895 -7.192 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.960 4.633 -4.794 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.180 4.546 -7.052 1.00 0.00 C ATOM 882 CZ PHE A 56 2.437 3.914 -5.851 1.00 0.00 C ATOM 0 H PHE A 56 5.285 9.032 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 56 5.157 7.685 -7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.912 8.619 -5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.687 8.480 -7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.631 6.539 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.242 6.384 -8.133 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.163 4.141 -3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.772 3.987 -7.881 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.229 2.860 -5.739 1.00 0.00 H new ATOM 892 N GLU A 57 4.734 9.906 -8.416 1.00 0.00 N ATOM 893 CA GLU A 57 4.860 11.186 -9.103 1.00 0.00 C ATOM 894 C GLU A 57 3.912 12.220 -8.503 1.00 0.00 C ATOM 895 O GLU A 57 4.170 13.422 -8.561 1.00 0.00 O ATOM 896 CB GLU A 57 4.571 11.019 -10.596 1.00 0.00 C ATOM 897 CG GLU A 57 5.637 11.622 -11.494 1.00 0.00 C ATOM 898 CD GLU A 57 5.052 12.416 -12.645 1.00 0.00 C ATOM 899 OE1 GLU A 57 4.383 13.438 -12.380 1.00 0.00 O ATOM 900 OE2 GLU A 57 5.261 12.017 -13.810 1.00 0.00 O ATOM 0 H GLU A 57 4.514 9.119 -9.027 1.00 0.00 H new ATOM 0 HA GLU A 57 5.883 11.539 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.476 9.957 -10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.611 11.481 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.281 12.271 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.266 10.825 -11.890 1.00 0.00 H new ATOM 907 N ASP A 58 2.813 11.744 -7.928 1.00 0.00 N ATOM 908 CA ASP A 58 1.826 12.626 -7.316 1.00 0.00 C ATOM 909 C ASP A 58 0.983 11.871 -6.293 1.00 0.00 C ATOM 910 O ASP A 58 1.283 10.728 -5.948 1.00 0.00 O ATOM 911 CB ASP A 58 0.922 13.236 -8.389 1.00 0.00 C ATOM 912 CG ASP A 58 0.861 14.749 -8.302 1.00 0.00 C ATOM 913 OD1 ASP A 58 1.072 15.288 -7.196 1.00 0.00 O ATOM 914 OD2 ASP A 58 0.602 15.392 -9.341 1.00 0.00 O ATOM 0 H ASP A 58 2.583 10.752 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 58 2.359 13.426 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.286 12.946 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.084 12.828 -8.288 1.00 0.00 H new ATOM 919 N ARG A 59 -0.071 12.520 -5.808 1.00 0.00 N ATOM 920 CA ARG A 59 -0.956 11.911 -4.822 1.00 0.00 C ATOM 921 C ARG A 59 -1.965 10.986 -5.495 1.00 0.00 C ATOM 922 O ARG A 59 -2.247 9.894 -5.001 1.00 0.00 O ATOM 923 CB ARG A 59 -1.689 12.993 -4.027 1.00 0.00 C ATOM 924 CG ARG A 59 -2.788 12.449 -3.129 1.00 0.00 C ATOM 925 CD ARG A 59 -4.152 12.544 -3.795 1.00 0.00 C ATOM 926 NE ARG A 59 -4.505 13.924 -4.123 1.00 0.00 N ATOM 927 CZ ARG A 59 -5.708 14.293 -4.547 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.669 13.391 -4.694 1.00 0.00 N ATOM 929 NH2 ARG A 59 -5.953 15.567 -4.825 1.00 0.00 N ATOM 0 H ARG A 59 -0.333 13.467 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.346 11.319 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.967 13.535 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.122 13.712 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.575 11.409 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.801 13.004 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.154 11.943 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.909 12.123 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.788 14.643 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.485 12.411 -4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.592 13.678 -5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.217 16.264 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.877 15.849 -5.151 1.00 0.00 H new ATOM 943 N GLY A 60 -2.507 11.430 -6.625 1.00 0.00 N ATOM 944 CA GLY A 60 -3.480 10.630 -7.346 1.00 0.00 C ATOM 945 C GLY A 60 -2.978 9.230 -7.637 1.00 0.00 C ATOM 946 O GLY A 60 -3.714 8.257 -7.487 1.00 0.00 O ATOM 0 H GLY A 60 -2.290 12.329 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.399 10.569 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.730 11.126 -8.284 1.00 0.00 H new ATOM 950 N ALA A 61 -1.720 9.129 -8.056 1.00 0.00 N ATOM 951 CA ALA A 61 -1.121 7.838 -8.370 1.00 0.00 C ATOM 952 C ALA A 61 -1.034 6.958 -7.127 1.00 0.00 C ATOM 953 O ALA A 61 -1.053 5.731 -7.221 1.00 0.00 O ATOM 954 CB ALA A 61 0.260 8.031 -8.979 1.00 0.00 C ATOM 0 H ALA A 61 -1.097 9.926 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.759 7.335 -9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.696 7.059 -9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.175 8.616 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.900 8.557 -8.270 1.00 0.00 H new ATOM 960 N ALA A 62 -0.937 7.593 -5.963 1.00 0.00 N ATOM 961 CA ALA A 62 -0.849 6.867 -4.702 1.00 0.00 C ATOM 962 C ALA A 62 -2.226 6.408 -4.235 1.00 0.00 C ATOM 963 O ALA A 62 -2.431 5.230 -3.941 1.00 0.00 O ATOM 964 CB ALA A 62 -0.191 7.735 -3.639 1.00 0.00 C ATOM 0 H ALA A 62 -0.917 8.608 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.235 5.981 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.132 7.181 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.813 8.009 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.783 8.638 -3.489 1.00 0.00 H new ATOM 970 N VAL A 63 -3.166 7.344 -4.169 1.00 0.00 N ATOM 971 CA VAL A 63 -4.525 7.035 -3.738 1.00 0.00 C ATOM 972 C VAL A 63 -5.146 5.953 -4.614 1.00 0.00 C ATOM 973 O VAL A 63 -5.620 4.932 -4.117 1.00 0.00 O ATOM 974 CB VAL A 63 -5.422 8.286 -3.771 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.816 7.957 -3.259 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.798 9.411 -2.959 1.00 0.00 C ATOM 0 H VAL A 63 -3.012 8.323 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.458 6.673 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.510 8.621 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.436 8.853 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.262 7.186 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.751 7.596 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.446 10.287 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.677 9.089 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.823 9.664 -3.376 1.00 0.00 H new ATOM 986 N LYS A 64 -5.139 6.184 -5.922 1.00 0.00 N ATOM 987 CA LYS A 64 -5.701 5.229 -6.871 1.00 0.00 C ATOM 988 C LYS A 64 -5.042 3.862 -6.720 1.00 0.00 C ATOM 989 O LYS A 64 -5.680 2.829 -6.928 1.00 0.00 O ATOM 990 CB LYS A 64 -5.523 5.737 -8.303 1.00 0.00 C ATOM 991 CG LYS A 64 -6.203 4.866 -9.346 1.00 0.00 C ATOM 992 CD LYS A 64 -5.195 4.246 -10.298 1.00 0.00 C ATOM 993 CE LYS A 64 -5.832 3.163 -11.156 1.00 0.00 C ATOM 994 NZ LYS A 64 -5.025 2.874 -12.374 1.00 0.00 N ATOM 0 H LYS A 64 -4.750 7.024 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.765 5.126 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.920 6.750 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.458 5.796 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.769 4.077 -8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.918 5.464 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.775 5.020 -10.940 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.368 3.821 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.942 2.252 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.834 3.475 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.492 2.131 -12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.942 3.737 -12.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.077 2.552 -12.094 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.764 3.862 -6.357 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.020 2.621 -6.175 1.00 0.00 C ATOM 1010 C ALA A 65 -3.438 1.915 -4.889 1.00 0.00 C ATOM 1011 O ALA A 65 -3.952 0.798 -4.922 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.525 2.899 -6.165 1.00 0.00 C ATOM 0 H ALA A 65 -3.221 4.708 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.250 1.962 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.982 1.964 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.233 3.353 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.287 3.580 -5.348 1.00 0.00 H new ATOM 1018 N MET A 66 -3.212 2.574 -3.757 1.00 0.00 N ATOM 1019 CA MET A 66 -3.566 2.008 -2.460 1.00 0.00 C ATOM 1020 C MET A 66 -5.040 1.620 -2.420 1.00 0.00 C ATOM 1021 O MET A 66 -5.436 0.726 -1.671 1.00 0.00 O ATOM 1022 CB MET A 66 -3.258 3.008 -1.343 1.00 0.00 C ATOM 1023 CG MET A 66 -3.795 2.585 0.015 1.00 0.00 C ATOM 1024 SD MET A 66 -5.355 3.391 0.427 1.00 0.00 S ATOM 1025 CE MET A 66 -4.842 5.106 0.494 1.00 0.00 C ATOM 0 H MET A 66 -2.786 3.500 -3.711 1.00 0.00 H new ATOM 0 HA MET A 66 -2.969 1.109 -2.308 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.178 3.141 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.682 3.977 -1.607 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.935 1.504 0.025 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.056 2.818 0.782 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.476 5.648 1.195 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.805 5.163 0.824 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.932 5.552 -0.497 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.847 2.296 -3.230 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.278 2.020 -3.287 1.00 0.00 C ATOM 1037 C ASP A 67 -7.537 0.548 -3.591 1.00 0.00 C ATOM 1038 O ASP A 67 -8.337 -0.103 -2.921 1.00 0.00 O ATOM 1039 CB ASP A 67 -7.946 2.897 -4.347 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.687 4.074 -3.742 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -9.463 3.858 -2.788 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -8.491 5.209 -4.224 1.00 0.00 O ATOM 0 H ASP A 67 -5.535 3.039 -3.856 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.706 2.251 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.189 3.265 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.643 2.293 -4.928 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.853 0.029 -4.608 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.011 -1.366 -5.001 1.00 0.00 C ATOM 1049 C GLU A 68 -5.983 -2.249 -4.298 1.00 0.00 C ATOM 1050 O GLU A 68 -6.308 -3.334 -3.818 1.00 0.00 O ATOM 1051 CB GLU A 68 -6.870 -1.510 -6.518 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.768 -0.569 -7.304 1.00 0.00 C ATOM 1053 CD GLU A 68 -8.304 -1.201 -8.574 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -8.764 -2.361 -8.511 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -8.262 -0.538 -9.631 1.00 0.00 O ATOM 0 H GLU A 68 -6.185 0.554 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.008 -1.690 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.832 -1.327 -6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.099 -2.538 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.603 -0.260 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.210 0.332 -7.558 1.00 0.00 H new ATOM 1062 N MET A 69 -4.743 -1.774 -4.241 1.00 0.00 N ATOM 1063 CA MET A 69 -3.668 -2.519 -3.597 1.00 0.00 C ATOM 1064 C MET A 69 -4.067 -2.938 -2.186 1.00 0.00 C ATOM 1065 O MET A 69 -3.710 -4.021 -1.725 1.00 0.00 O ATOM 1066 CB MET A 69 -2.392 -1.678 -3.550 1.00 0.00 C ATOM 1067 CG MET A 69 -1.894 -1.251 -4.921 1.00 0.00 C ATOM 1068 SD MET A 69 -0.386 -2.109 -5.410 1.00 0.00 S ATOM 1069 CE MET A 69 -0.917 -3.816 -5.304 1.00 0.00 C ATOM 0 H MET A 69 -4.458 -0.877 -4.633 1.00 0.00 H new ATOM 0 HA MET A 69 -3.480 -3.418 -4.185 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.575 -0.789 -2.946 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.609 -2.248 -3.050 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.672 -1.441 -5.661 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.712 -0.176 -4.919 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.064 -4.473 -5.474 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.331 -4.007 -4.314 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.679 -4.008 -6.060 1.00 0.00 H new ATOM 1079 N ASN A 70 -4.811 -2.072 -1.504 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.258 -2.351 -0.145 1.00 0.00 C ATOM 1081 C ASN A 70 -6.022 -3.671 -0.084 1.00 0.00 C ATOM 1082 O ASN A 70 -7.070 -3.822 -0.710 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.141 -1.213 0.369 1.00 0.00 C ATOM 1084 CG ASN A 70 -6.967 -1.620 1.574 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -6.443 -1.768 2.678 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -8.266 -1.806 1.366 1.00 0.00 N ATOM 0 H ASN A 70 -5.117 -1.171 -1.871 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.376 -2.432 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.514 -0.361 0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.806 -0.884 -0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.872 -2.083 2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.658 -1.672 0.434 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.489 -4.623 0.675 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.133 -5.917 0.804 1.00 0.00 C ATOM 1095 C GLY A 71 -5.768 -6.861 -0.323 1.00 0.00 C ATOM 1096 O GLY A 71 -6.620 -7.591 -0.832 1.00 0.00 O ATOM 0 H GLY A 71 -4.622 -4.521 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.851 -6.366 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.214 -5.781 0.824 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.500 -6.848 -0.717 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.023 -7.709 -1.792 1.00 0.00 C ATOM 1102 C LYS A 72 -3.187 -8.859 -1.238 1.00 0.00 C ATOM 1103 O LYS A 72 -2.779 -8.838 -0.078 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.194 -6.900 -2.793 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.017 -6.303 -3.921 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.630 -7.383 -4.796 1.00 0.00 C ATOM 1107 CE LYS A 72 -4.011 -7.394 -6.185 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.268 -8.676 -6.897 1.00 0.00 N ATOM 0 H LYS A 72 -3.783 -6.250 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.892 -8.126 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.682 -6.097 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.423 -7.543 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.808 -5.679 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.386 -5.655 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.489 -8.356 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.705 -7.220 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.415 -6.567 -6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.936 -7.232 -6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.830 -8.643 -7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.861 -9.463 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.293 -8.818 -6.997 1.00 0.00 H new ATOM 1122 N GLU A 73 -2.938 -9.861 -2.077 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.150 -11.019 -1.669 1.00 0.00 C ATOM 1124 C GLU A 73 -0.902 -11.159 -2.534 1.00 0.00 C ATOM 1125 O GLU A 73 -0.951 -11.728 -3.625 1.00 0.00 O ATOM 1126 CB GLU A 73 -2.993 -12.292 -1.759 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.191 -13.568 -1.560 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.059 -14.812 -1.573 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.580 -15.182 -0.500 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.218 -15.413 -2.655 1.00 0.00 O ATOM 0 H GLU A 73 -3.270 -9.894 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.839 -10.870 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.783 -12.249 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.480 -12.327 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.439 -13.646 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.657 -13.512 -0.612 1.00 0.00 H new ATOM 1137 N ILE A 74 0.215 -10.637 -2.041 1.00 0.00 N ATOM 1138 CA ILE A 74 1.476 -10.704 -2.768 1.00 0.00 C ATOM 1139 C ILE A 74 2.352 -11.839 -2.246 1.00 0.00 C ATOM 1140 O ILE A 74 2.676 -11.890 -1.060 1.00 0.00 O ATOM 1141 CB ILE A 74 2.258 -9.380 -2.665 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.388 -8.213 -3.138 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.540 -9.458 -3.480 1.00 0.00 C ATOM 1144 CD1 ILE A 74 2.034 -6.860 -2.938 1.00 0.00 C ATOM 0 H ILE A 74 0.273 -10.162 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 74 1.227 -10.890 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 74 2.525 -9.211 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.160 -8.345 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.439 -8.237 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.081 -8.516 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.163 -10.269 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.296 -9.646 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.362 -6.080 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.237 -6.707 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.969 -6.817 -3.496 1.00 0.00 H new ATOM 1156 N GLU A 75 2.731 -12.745 -3.141 1.00 0.00 N ATOM 1157 CA GLU A 75 3.570 -13.879 -2.771 1.00 0.00 C ATOM 1158 C GLU A 75 2.928 -14.688 -1.647 1.00 0.00 C ATOM 1159 O GLU A 75 3.615 -15.209 -0.771 1.00 0.00 O ATOM 1160 CB GLU A 75 4.956 -13.396 -2.338 1.00 0.00 C ATOM 1161 CG GLU A 75 6.096 -14.203 -2.938 1.00 0.00 C ATOM 1162 CD GLU A 75 6.274 -13.946 -4.421 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.671 -12.979 -4.934 1.00 0.00 O ATOM 1164 OE2 GLU A 75 7.018 -14.711 -5.070 1.00 0.00 O ATOM 0 H GLU A 75 2.471 -12.716 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 75 3.673 -14.522 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.073 -12.350 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.024 -13.440 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.022 -13.960 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.909 -15.265 -2.777 1.00 0.00 H new ATOM 1171 N GLY A 76 1.602 -14.785 -1.680 1.00 0.00 N ATOM 1172 CA GLY A 76 0.887 -15.531 -0.660 1.00 0.00 C ATOM 1173 C GLY A 76 1.021 -14.905 0.715 1.00 0.00 C ATOM 1174 O GLY A 76 0.814 -15.571 1.728 1.00 0.00 O ATOM 0 H GLY A 76 1.010 -14.361 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.168 -15.589 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.265 -16.553 -0.629 1.00 0.00 H new ATOM 1178 N GLU A 77 1.368 -13.623 0.749 1.00 0.00 N ATOM 1179 CA GLU A 77 1.530 -12.909 2.010 1.00 0.00 C ATOM 1180 C GLU A 77 0.545 -11.748 2.110 1.00 0.00 C ATOM 1181 O GLU A 77 0.430 -10.938 1.192 1.00 0.00 O ATOM 1182 CB GLU A 77 2.964 -12.388 2.146 1.00 0.00 C ATOM 1183 CG GLU A 77 3.958 -13.451 2.584 1.00 0.00 C ATOM 1184 CD GLU A 77 4.018 -13.606 4.091 1.00 0.00 C ATOM 1185 OE1 GLU A 77 2.956 -13.827 4.708 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.129 -13.508 4.652 1.00 0.00 O ATOM 0 H GLU A 77 1.542 -13.057 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 77 1.325 -13.607 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.284 -11.975 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.978 -11.570 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.685 -14.406 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.949 -13.194 2.209 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.165 -11.677 3.232 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.142 -10.619 3.452 1.00 0.00 C ATOM 1195 C GLU A 78 -0.453 -9.265 3.599 1.00 0.00 C ATOM 1196 O GLU A 78 0.104 -8.952 4.651 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.978 -10.915 4.698 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.185 -11.797 4.424 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.472 -11.212 4.974 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.475 -10.781 6.146 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.475 -11.184 4.231 1.00 0.00 O ATOM 0 H GLU A 78 -0.081 -12.340 4.002 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.800 -10.582 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.346 -11.399 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.317 -9.974 5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.287 -11.943 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.020 -12.780 4.865 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.495 -8.467 2.536 1.00 0.00 N ATOM 1209 CA ILE A 79 0.124 -7.147 2.547 1.00 0.00 C ATOM 1210 C ILE A 79 -0.873 -6.076 2.973 1.00 0.00 C ATOM 1211 O ILE A 79 -1.985 -6.007 2.450 1.00 0.00 O ATOM 1212 CB ILE A 79 0.695 -6.782 1.165 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.405 -6.840 0.103 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.840 -7.716 0.801 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.681 -5.506 -0.555 1.00 0.00 C ATOM 0 H ILE A 79 -0.951 -8.712 1.657 1.00 0.00 H new ATOM 0 HA ILE A 79 0.940 -7.187 3.269 1.00 0.00 H new ATOM 0 HB ILE A 79 1.082 -5.764 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.122 -7.562 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.323 -7.206 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.233 -7.445 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.631 -7.629 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.477 -8.743 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.471 -5.623 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.995 -4.786 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.225 -5.147 -1.044 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.467 -5.240 3.923 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.325 -4.170 4.417 1.00 0.00 C ATOM 1229 C GLU A 80 -0.876 -2.816 3.872 1.00 0.00 C ATOM 1230 O GLU A 80 0.285 -2.639 3.501 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.317 -4.144 5.946 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.691 -4.331 6.565 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.659 -4.302 8.081 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -1.862 -5.061 8.672 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.428 -3.519 8.676 1.00 0.00 O ATOM 0 H GLU A 80 0.451 -5.283 4.366 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.340 -4.364 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.654 -4.928 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.902 -3.194 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.357 -3.547 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.108 -5.281 6.233 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.803 -1.866 3.827 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.503 -0.530 3.329 1.00 0.00 C ATOM 1244 C ILE A 81 -2.238 0.535 4.135 1.00 0.00 C ATOM 1245 O ILE A 81 -3.439 0.423 4.386 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.882 -0.385 1.843 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.324 -1.557 1.035 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.370 0.938 1.292 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.694 -1.511 -0.431 1.00 0.00 C ATOM 0 H ILE A 81 -2.768 -1.997 4.129 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.428 -0.387 3.437 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.969 -0.395 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.238 -1.567 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.689 -2.490 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.646 1.026 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.812 1.761 1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.285 0.976 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.264 -2.373 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.779 -1.532 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.306 -0.595 -0.876 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.510 1.572 4.540 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.092 2.660 5.316 1.00 0.00 C ATOM 1263 C VAL A 82 -1.433 3.991 4.975 1.00 0.00 C ATOM 1264 O VAL A 82 -0.229 4.054 4.719 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.956 2.404 6.829 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.631 1.095 7.212 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.491 2.399 7.239 1.00 0.00 C ATOM 0 H VAL A 82 -0.515 1.681 4.343 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.150 2.705 5.056 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.456 3.212 7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.525 0.931 8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.689 1.143 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.163 0.272 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.414 2.217 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.035 1.612 6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.044 3.364 7.002 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.228 5.056 4.975 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.723 6.389 4.667 1.00 0.00 C ATOM 1279 C LEU A 83 -0.645 6.806 5.661 1.00 0.00 C ATOM 1280 O LEU A 83 -0.790 6.610 6.868 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.865 7.405 4.681 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.750 7.438 3.433 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.021 8.230 3.700 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -2.989 8.028 2.256 1.00 0.00 C ATOM 0 H LEU A 83 -3.226 5.022 5.185 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.282 6.361 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.497 7.199 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.440 8.398 4.827 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.031 6.415 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.638 8.242 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.576 7.764 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.762 9.252 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.634 8.044 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.678 9.045 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.109 7.419 2.050 1.00 0.00 H new ATOM 1296 N ALA A 84 0.437 7.383 5.148 1.00 0.00 N ATOM 1297 CA ALA A 84 1.537 7.832 5.991 1.00 0.00 C ATOM 1298 C ALA A 84 1.552 9.352 6.112 1.00 0.00 C ATOM 1299 O ALA A 84 1.977 10.054 5.194 1.00 0.00 O ATOM 1300 CB ALA A 84 2.864 7.332 5.438 1.00 0.00 C ATOM 0 H ALA A 84 0.575 7.550 4.151 1.00 0.00 H new ATOM 0 HA ALA A 84 1.391 7.416 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.677 7.675 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.859 6.242 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.007 7.720 4.430 1.00 0.00 H new