USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 702 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 61 THR OG1 : rot 180:sc= -0.738 USER MOD Set 1.2: A 64 GLN : amide:sc= 0.17 K(o=-0.57,f=-3.1) USER MOD Set 2.1: A 23 SER OG : rot -100:sc= 0.11 USER MOD Set 2.2: A 43 ASN : amide:sc= -0.516 K(o=-0.41,f=-1.5!) USER MOD Single : A 15 MET CE :methyl 154:sc= -0.0133 (180deg=-0.0853) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.48) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 30 TYR OH : rot 151:sc= 0 USER MOD Single : A 32 SER OG : rot -28:sc= 0.236 USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= -0.398 (180deg=-1.98!) USER MOD Single : A 55 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.055) USER MOD Single : A 57 THR OG1 : rot 62:sc= -1.59 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 150:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -90:sc= -2.05! USER MOD Single : A 87 SER OG : rot -1:sc= 0.369 USER MOD Single : A 98 SER OG : rot 180:sc= 0.11 USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.139) USER MOD Single : A 102 MET CE :methyl -170:sc=-0.00448 (180deg=-0.223) USER MOD ----------------------------------------------------------------- ATOM 200 C MET A 15 -8.018 -9.823 14.494 1.00 0.00 C ATOM 201 CA MET A 15 -6.719 -9.015 14.319 1.00 0.00 C ATOM 202 CB MET A 15 -6.579 -7.942 15.430 1.00 0.00 C ATOM 203 CE MET A 15 -3.226 -8.474 13.940 1.00 0.00 C ATOM 204 CG MET A 15 -5.251 -7.164 15.436 1.00 0.00 C ATOM 214 N MET A 15 -6.684 -8.420 12.964 1.00 0.00 N ATOM 215 O MET A 15 -7.970 -11.025 14.762 1.00 0.00 O ATOM 216 SD MET A 15 -3.774 -8.199 15.634 1.00 0.00 S ATOM 0 HA MET A 15 -5.863 -9.682 14.419 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.397 -7.229 15.328 1.00 0.00 H new ATOM 0 HB3 MET A 15 -6.699 -8.428 16.398 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.167 -6.607 14.503 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.277 -6.432 16.243 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.153 -8.668 13.931 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.753 -9.332 13.522 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.440 -7.589 13.340 1.00 0.00 H new ATOM 217 C GLU A 16 -10.655 -10.951 13.335 1.00 0.00 C ATOM 218 CA GLU A 16 -10.503 -9.780 14.349 1.00 0.00 C ATOM 219 CB GLU A 16 -11.600 -8.708 14.111 1.00 0.00 C ATOM 220 CD GLU A 16 -14.123 -8.164 13.955 1.00 0.00 C ATOM 221 CG GLU A 16 -13.046 -9.228 14.243 1.00 0.00 C ATOM 228 N GLU A 16 -9.165 -9.158 14.253 1.00 0.00 N ATOM 229 O GLU A 16 -11.215 -12.017 13.657 1.00 0.00 O ATOM 230 OE1 GLU A 16 -14.436 -7.353 14.848 1.00 0.00 O ATOM 231 OE2 GLU A 16 -14.666 -8.138 12.828 1.00 0.00 O ATOM 0 H GLU A 16 -9.191 -8.174 13.986 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.619 -10.193 15.351 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.454 -7.894 14.821 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.469 -8.288 13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.184 -10.065 13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.192 -9.614 15.252 1.00 0.00 H new ATOM 232 C MET A 17 -9.371 -12.999 11.417 1.00 0.00 C ATOM 233 CA MET A 17 -10.141 -11.729 11.024 1.00 0.00 C ATOM 234 CB MET A 17 -9.568 -11.132 9.704 1.00 0.00 C ATOM 235 CE MET A 17 -10.918 -8.220 6.996 1.00 0.00 C ATOM 236 CG MET A 17 -10.475 -10.113 9.003 1.00 0.00 C ATOM 246 N MET A 17 -10.112 -10.737 12.119 1.00 0.00 N ATOM 247 O MET A 17 -9.902 -14.091 11.299 1.00 0.00 O ATOM 248 SD MET A 17 -9.641 -9.312 7.618 1.00 0.00 S ATOM 0 H MET A 17 -9.640 -9.869 11.868 1.00 0.00 H new ATOM 0 HA MET A 17 -11.183 -11.996 10.849 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.613 -10.654 9.924 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.364 -11.949 9.012 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.375 -10.614 8.645 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.795 -9.357 9.721 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.536 -7.665 6.139 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.783 -8.809 6.691 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.212 -7.521 7.779 1.00 0.00 H new ATOM 249 C LEU A 18 -7.811 -14.749 13.519 1.00 0.00 C ATOM 250 CA LEU A 18 -7.273 -13.975 12.293 1.00 0.00 C ATOM 251 CB LEU A 18 -5.813 -13.498 12.499 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.735 -12.305 11.551 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.944 -14.052 10.143 1.00 0.00 C ATOM 254 CG LEU A 18 -5.092 -12.955 11.216 1.00 0.00 C ATOM 266 N LEU A 18 -8.151 -12.840 11.943 1.00 0.00 N ATOM 267 O LEU A 18 -7.469 -15.920 13.709 1.00 0.00 O ATOM 0 H LEU A 18 -7.741 -11.927 12.139 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.273 -14.674 11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.809 -12.714 13.256 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.231 -14.329 12.898 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.727 -12.173 10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.269 -11.942 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.890 -11.470 12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.085 -13.042 12.021 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.440 -13.640 9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.356 -14.877 10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.931 -14.415 9.856 1.00 0.00 H new ATOM 268 C GLN A 19 -10.333 -15.791 14.914 1.00 0.00 C ATOM 269 CA GLN A 19 -9.386 -14.713 15.469 1.00 0.00 C ATOM 270 CB GLN A 19 -10.224 -13.670 16.265 1.00 0.00 C ATOM 271 CD GLN A 19 -10.311 -11.598 17.767 1.00 0.00 C ATOM 272 CG GLN A 19 -9.419 -12.612 17.043 1.00 0.00 C ATOM 281 N GLN A 19 -8.637 -14.067 14.359 1.00 0.00 N ATOM 282 NE2 GLN A 19 -9.871 -10.354 17.846 1.00 0.00 N ATOM 283 O GLN A 19 -10.315 -16.951 15.347 1.00 0.00 O ATOM 284 OE1 GLN A 19 -11.406 -11.928 18.219 1.00 0.00 O ATOM 0 H GLN A 19 -8.800 -13.063 14.286 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.656 -15.167 16.139 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.885 -13.155 15.567 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.860 -14.206 16.970 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.780 -13.112 17.771 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.762 -12.083 16.353 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.958 -10.111 17.462 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.444 -9.638 18.291 1.00 0.00 H new ATOM 285 C ARG A 20 -11.557 -17.125 12.189 1.00 0.00 C ATOM 286 CA ARG A 20 -12.174 -16.253 13.315 1.00 0.00 C ATOM 287 CB ARG A 20 -13.362 -15.385 12.793 1.00 0.00 C ATOM 288 CD ARG A 20 -13.808 -13.140 11.560 1.00 0.00 C ATOM 289 CG ARG A 20 -13.040 -14.483 11.571 1.00 0.00 C ATOM 290 CZ ARG A 20 -16.134 -12.348 12.031 1.00 0.00 C ATOM 304 N ARG A 20 -11.160 -15.376 13.936 1.00 0.00 N ATOM 305 NE ARG A 20 -15.266 -13.306 11.657 1.00 0.00 N ATOM 306 NH1 ARG A 20 -15.718 -11.117 12.333 1.00 0.00 N ATOM 307 NH2 ARG A 20 -17.426 -12.632 12.096 1.00 0.00 N ATOM 308 O ARG A 20 -12.176 -18.091 11.739 1.00 0.00 O ATOM 0 H ARG A 20 -11.146 -14.430 13.555 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.554 -16.944 14.067 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.185 -16.048 12.527 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.713 -14.752 13.608 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.970 -14.278 11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.272 -15.030 10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.463 -12.525 12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.570 -12.600 10.643 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.650 -14.221 11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.725 -10.887 12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.392 -10.405 12.614 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.754 -13.569 11.864 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.093 -11.913 12.378 1.00 0.00 H new ATOM 309 C GLU A 21 -8.931 -18.756 11.273 1.00 0.00 C ATOM 310 CA GLU A 21 -9.590 -17.496 10.694 1.00 0.00 C ATOM 311 CB GLU A 21 -8.508 -16.568 10.074 1.00 0.00 C ATOM 312 CD GLU A 21 -8.651 -17.334 7.633 1.00 0.00 C ATOM 313 CG GLU A 21 -7.752 -17.127 8.861 1.00 0.00 C ATOM 320 N GLU A 21 -10.324 -16.775 11.760 1.00 0.00 N ATOM 321 O GLU A 21 -9.230 -19.879 10.849 1.00 0.00 O ATOM 322 OE1 GLU A 21 -9.012 -16.336 6.970 1.00 0.00 O ATOM 323 OE2 GLU A 21 -8.984 -18.493 7.311 1.00 0.00 O ATOM 0 H GLU A 21 -9.808 -15.983 12.144 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.293 -17.790 9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.986 -15.634 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.781 -16.324 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.942 -16.446 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.294 -18.078 9.133 1.00 0.00 H new ATOM 324 C TYR A 22 -8.085 -19.924 14.272 1.00 0.00 C ATOM 325 CA TYR A 22 -7.343 -19.639 12.957 1.00 0.00 C ATOM 326 CB TYR A 22 -5.849 -19.287 13.215 1.00 0.00 C ATOM 327 CD1 TYR A 22 -4.789 -17.780 11.442 1.00 0.00 C ATOM 328 CD2 TYR A 22 -4.464 -20.138 11.253 1.00 0.00 C ATOM 329 CE1 TYR A 22 -4.039 -17.584 10.295 1.00 0.00 C ATOM 330 CE2 TYR A 22 -3.713 -19.946 10.110 1.00 0.00 C ATOM 331 CG TYR A 22 -5.018 -19.061 11.946 1.00 0.00 C ATOM 332 CZ TYR A 22 -3.503 -18.670 9.634 1.00 0.00 C ATOM 342 N TYR A 22 -8.023 -18.548 12.245 1.00 0.00 N ATOM 343 O TYR A 22 -8.966 -20.796 14.319 1.00 0.00 O ATOM 344 OH TYR A 22 -2.760 -18.486 8.484 1.00 0.00 O ATOM 0 H TYR A 22 -7.742 -17.618 12.556 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.359 -20.538 12.341 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.802 -18.388 13.829 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.394 -20.092 13.793 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.204 -16.926 11.956 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.626 -21.142 11.618 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.874 -16.585 9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.291 -20.794 9.591 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.457 -19.355 8.148 1.00 0.00 H new ATOM 345 C SER A 23 -7.863 -18.119 17.546 1.00 0.00 C ATOM 346 CA SER A 23 -8.310 -19.291 16.666 1.00 0.00 C ATOM 347 CB SER A 23 -7.875 -20.642 17.302 1.00 0.00 C ATOM 353 N SER A 23 -7.770 -19.128 15.310 1.00 0.00 N ATOM 354 O SER A 23 -6.962 -17.348 17.176 1.00 0.00 O ATOM 355 OG SER A 23 -6.467 -20.788 17.315 1.00 0.00 O ATOM 0 H SER A 23 -7.124 -18.343 15.226 1.00 0.00 H new ATOM 0 HA SER A 23 -9.398 -19.299 16.597 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.256 -20.703 18.321 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.321 -21.466 16.745 1.00 0.00 H new ATOM 0 HG SER A 23 -6.191 -21.363 16.571 1.00 0.00 H new ATOM 356 C THR A 24 -7.407 -17.833 20.843 1.00 0.00 C ATOM 357 CA THR A 24 -8.144 -17.056 19.756 1.00 0.00 C ATOM 358 CB THR A 24 -9.393 -16.357 20.384 1.00 0.00 C ATOM 359 CG2 THR A 24 -10.139 -15.505 19.349 1.00 0.00 C ATOM 367 N THR A 24 -8.531 -17.982 18.692 1.00 0.00 N ATOM 368 O THR A 24 -7.557 -19.061 20.953 1.00 0.00 O ATOM 369 OG1 THR A 24 -10.293 -17.336 20.941 1.00 0.00 O ATOM 0 H THR A 24 -9.370 -18.520 18.910 1.00 0.00 H new ATOM 0 HA THR A 24 -7.501 -16.287 19.328 1.00 0.00 H new ATOM 0 HB THR A 24 -9.035 -15.701 21.177 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.069 -16.882 21.332 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.002 -15.034 19.820 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.471 -14.735 18.962 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.475 -16.140 18.529 1.00 0.00 H new ATOM 370 C LEU A 25 -7.024 -17.679 23.968 1.00 0.00 C ATOM 371 CA LEU A 25 -5.994 -17.704 22.830 1.00 0.00 C ATOM 372 CB LEU A 25 -4.725 -16.905 23.204 1.00 0.00 C ATOM 373 CD1 LEU A 25 -3.293 -18.936 23.688 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.585 -16.658 24.550 1.00 0.00 C ATOM 375 CG LEU A 25 -3.773 -17.583 24.222 1.00 0.00 C ATOM 387 N LEU A 25 -6.612 -17.126 21.638 1.00 0.00 N ATOM 388 O LEU A 25 -7.525 -16.606 24.320 1.00 0.00 O ATOM 0 H LEU A 25 -6.378 -16.146 21.479 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.691 -18.734 22.644 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.165 -16.702 22.291 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.033 -15.941 23.610 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.321 -17.763 25.147 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.626 -19.398 24.415 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.152 -19.586 23.519 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.760 -18.788 22.749 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.927 -17.151 25.266 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.030 -16.441 23.637 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.956 -15.727 24.979 1.00 0.00 H new ATOM 389 C ARG A 26 -7.760 -18.990 26.957 1.00 0.00 C ATOM 390 CA ARG A 26 -8.404 -18.969 25.559 1.00 0.00 C ATOM 391 CB ARG A 26 -9.302 -20.228 25.363 1.00 0.00 C ATOM 392 CD ARG A 26 -9.534 -22.785 25.574 1.00 0.00 C ATOM 393 CG ARG A 26 -8.574 -21.590 25.445 1.00 0.00 C ATOM 394 CZ ARG A 26 -10.944 -23.796 27.378 1.00 0.00 C ATOM 408 N ARG A 26 -7.381 -18.863 24.499 1.00 0.00 N ATOM 409 NE ARG A 26 -10.249 -22.769 26.864 1.00 0.00 N ATOM 410 NH1 ARG A 26 -11.032 -24.946 26.732 1.00 0.00 N ATOM 411 NH2 ARG A 26 -11.548 -23.663 28.542 1.00 0.00 N ATOM 412 O ARG A 26 -8.324 -18.439 27.908 1.00 0.00 O ATOM 0 H ARG A 26 -6.979 -19.756 24.214 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.036 -18.084 25.483 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.089 -20.211 26.117 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.790 -20.156 24.391 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.960 -21.720 24.554 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.898 -21.582 26.300 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.255 -22.763 24.757 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.973 -23.715 25.479 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.212 -21.908 27.410 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.568 -25.062 25.831 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.564 -25.718 27.135 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.487 -22.781 29.050 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.077 -24.442 28.934 1.00 0.00 H new ATOM 413 C SER A 27 -4.389 -19.936 28.183 1.00 0.00 C ATOM 414 CA SER A 27 -5.910 -19.859 28.368 1.00 0.00 C ATOM 415 CB SER A 27 -6.425 -21.170 29.031 1.00 0.00 C ATOM 421 N SER A 27 -6.581 -19.630 27.073 1.00 0.00 N ATOM 422 O SER A 27 -3.897 -20.287 27.106 1.00 0.00 O ATOM 423 OG SER A 27 -7.833 -21.147 29.222 1.00 0.00 O ATOM 0 H SER A 27 -6.067 -20.002 26.274 1.00 0.00 H new ATOM 0 HA SER A 27 -6.145 -19.018 29.020 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.157 -22.023 28.407 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.930 -21.310 29.992 1.00 0.00 H new ATOM 0 HG SER A 27 -8.120 -21.986 29.639 1.00 0.00 H new ATOM 424 C VAL A 28 -1.867 -20.314 30.739 1.00 0.00 C ATOM 425 CA VAL A 28 -2.199 -19.727 29.355 1.00 0.00 C ATOM 426 CB VAL A 28 -1.431 -18.363 29.173 1.00 0.00 C ATOM 427 CG1 VAL A 28 0.101 -18.568 29.197 1.00 0.00 C ATOM 428 CG2 VAL A 28 -1.860 -17.652 27.881 1.00 0.00 C ATOM 438 N VAL A 28 -3.660 -19.565 29.248 1.00 0.00 N ATOM 439 O VAL A 28 -2.415 -19.861 31.751 1.00 0.00 O ATOM 0 H VAL A 28 -4.076 -19.136 30.075 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.875 -20.394 28.556 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.698 -17.727 30.017 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.599 -17.607 29.069 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.395 -19.004 30.152 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.391 -19.238 28.387 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.313 -16.714 27.783 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.642 -18.290 27.025 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.930 -17.446 27.917 1.00 0.00 H new ATOM 440 C GLN A 29 1.001 -22.160 31.940 1.00 0.00 C ATOM 441 CA GLN A 29 -0.526 -21.977 31.997 1.00 0.00 C ATOM 442 CB GLN A 29 -1.259 -23.346 32.149 1.00 0.00 C ATOM 443 CD GLN A 29 -1.890 -25.583 31.010 1.00 0.00 C ATOM 444 CG GLN A 29 -1.112 -24.270 30.925 1.00 0.00 C ATOM 453 N GLN A 29 -0.971 -21.306 30.766 1.00 0.00 N ATOM 454 NE2 GLN A 29 -1.406 -26.614 30.331 1.00 0.00 N ATOM 455 O GLN A 29 1.535 -22.778 31.007 1.00 0.00 O ATOM 456 OE1 GLN A 29 -2.920 -25.667 31.673 1.00 0.00 O ATOM 0 H GLN A 29 -0.527 -21.672 29.924 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.773 -21.371 32.869 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.871 -23.859 33.029 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.318 -23.162 32.329 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.439 -23.728 30.038 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.055 -24.499 30.787 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.548 -26.511 29.790 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.892 -27.510 30.350 1.00 0.00 H new ATOM 457 C TYR A 30 3.401 -23.076 33.830 1.00 0.00 C ATOM 458 CA TYR A 30 3.159 -21.776 33.051 1.00 0.00 C ATOM 459 CB TYR A 30 3.854 -20.579 33.754 1.00 0.00 C ATOM 460 CD1 TYR A 30 6.018 -21.081 35.046 1.00 0.00 C ATOM 461 CD2 TYR A 30 6.177 -20.643 32.705 1.00 0.00 C ATOM 462 CE1 TYR A 30 7.388 -21.280 35.096 1.00 0.00 C ATOM 463 CE2 TYR A 30 7.537 -20.835 32.756 1.00 0.00 C ATOM 464 CG TYR A 30 5.381 -20.753 33.845 1.00 0.00 C ATOM 465 CZ TYR A 30 8.140 -21.155 33.946 1.00 0.00 C ATOM 475 N TYR A 30 1.712 -21.574 32.908 1.00 0.00 N ATOM 476 O TYR A 30 3.118 -23.151 35.031 1.00 0.00 O ATOM 477 OH TYR A 30 9.505 -21.334 33.989 1.00 0.00 O ATOM 0 H TYR A 30 1.307 -20.952 33.608 1.00 0.00 H new ATOM 0 HA TYR A 30 3.598 -21.847 32.056 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.628 -19.662 33.210 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.444 -20.464 34.758 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.433 -21.181 35.948 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.714 -20.401 31.760 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.866 -21.532 36.031 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.131 -20.734 31.860 1.00 0.00 H new ATOM 0 HH TYR A 30 9.818 -21.671 33.124 1.00 0.00 H new ATOM 478 C ARG A 31 5.734 -25.323 34.189 1.00 0.00 C ATOM 479 CA ARG A 31 4.270 -25.378 33.743 1.00 0.00 C ATOM 480 CB ARG A 31 3.998 -26.573 32.785 1.00 0.00 C ATOM 481 CD ARG A 31 2.199 -28.116 31.788 1.00 0.00 C ATOM 482 CG ARG A 31 2.495 -26.819 32.549 1.00 0.00 C ATOM 483 CZ ARG A 31 0.174 -29.401 31.061 1.00 0.00 C ATOM 497 N ARG A 31 3.889 -24.105 33.125 1.00 0.00 N ATOM 498 NE ARG A 31 0.745 -28.386 31.719 1.00 0.00 N ATOM 499 NH1 ARG A 31 0.906 -30.282 30.390 1.00 0.00 N ATOM 500 NH2 ARG A 31 -1.141 -29.528 31.085 1.00 0.00 N ATOM 501 O ARG A 31 6.650 -25.422 33.370 1.00 0.00 O ATOM 0 H ARG A 31 4.030 -24.077 32.115 1.00 0.00 H new ATOM 0 HA ARG A 31 3.653 -25.539 34.627 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.485 -26.384 31.828 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.448 -27.475 33.199 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.984 -26.847 33.512 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.080 -25.978 31.993 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.606 -28.048 30.779 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.702 -28.949 32.278 1.00 0.00 H new ATOM 0 HE ARG A 31 0.127 -27.744 32.215 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.922 -30.191 30.370 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.453 -31.050 29.894 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.709 -28.856 31.601 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.588 -30.298 30.587 1.00 0.00 H new ATOM 502 C SER A 32 7.858 -26.548 36.136 1.00 0.00 C ATOM 503 CA SER A 32 7.223 -25.138 36.185 1.00 0.00 C ATOM 504 CB SER A 32 7.039 -24.671 37.649 1.00 0.00 C ATOM 510 N SER A 32 5.914 -25.120 35.506 1.00 0.00 N ATOM 511 O SER A 32 9.084 -26.690 36.240 1.00 0.00 O ATOM 512 OG SER A 32 6.443 -23.379 37.699 1.00 0.00 O ATOM 0 H SER A 32 5.138 -24.935 36.142 1.00 0.00 H new ATOM 0 HA SER A 32 7.901 -24.458 35.669 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.415 -25.385 38.187 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.006 -24.650 38.152 1.00 0.00 H new ATOM 0 HG SER A 32 6.679 -22.879 36.890 1.00 0.00 H new ATOM 513 C GLU A 33 8.371 -29.129 34.569 1.00 0.00 C ATOM 514 CA GLU A 33 7.416 -28.983 35.769 1.00 0.00 C ATOM 515 CB GLU A 33 6.154 -29.856 35.536 1.00 0.00 C ATOM 516 CD GLU A 33 5.781 -30.500 37.987 1.00 0.00 C ATOM 517 CG GLU A 33 5.165 -29.895 36.717 1.00 0.00 C ATOM 524 N GLU A 33 6.998 -27.579 35.972 1.00 0.00 N ATOM 525 O GLU A 33 9.323 -29.918 34.595 1.00 0.00 O ATOM 526 OE1 GLU A 33 6.318 -29.744 38.834 1.00 0.00 O ATOM 527 OE2 GLU A 33 5.759 -31.742 38.135 1.00 0.00 O ATOM 0 H GLU A 33 5.985 -27.457 35.977 1.00 0.00 H new ATOM 0 HA GLU A 33 7.951 -29.312 36.660 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.631 -29.485 34.655 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.471 -30.875 35.313 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.822 -28.883 36.931 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.288 -30.476 36.432 1.00 0.00 H new ATOM 528 C GLU A 34 9.662 -27.135 32.036 1.00 0.00 C ATOM 529 CA GLU A 34 8.830 -28.409 32.243 1.00 0.00 C ATOM 530 CB GLU A 34 7.813 -28.588 31.087 1.00 0.00 C ATOM 531 CD GLU A 34 5.821 -29.905 30.152 1.00 0.00 C ATOM 532 CG GLU A 34 6.723 -29.641 31.367 1.00 0.00 C ATOM 539 N GLU A 34 8.098 -28.349 33.522 1.00 0.00 N ATOM 540 O GLU A 34 10.650 -27.142 31.288 1.00 0.00 O ATOM 541 OE1 GLU A 34 6.016 -30.930 29.458 1.00 0.00 O ATOM 542 OE2 GLU A 34 4.948 -29.063 29.856 1.00 0.00 O ATOM 0 H GLU A 34 7.356 -27.649 33.532 1.00 0.00 H new ATOM 0 HA GLU A 34 9.515 -29.256 32.258 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.334 -27.629 30.886 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.352 -28.870 30.183 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.196 -30.574 31.671 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.109 -29.307 32.203 1.00 0.00 H new ATOM 543 C GLY A 35 9.420 -24.117 31.187 1.00 0.00 C ATOM 544 CA GLY A 35 9.842 -24.724 32.523 1.00 0.00 C ATOM 548 N GLY A 35 9.265 -26.053 32.729 1.00 0.00 N ATOM 549 O GLY A 35 10.236 -23.499 30.489 1.00 0.00 O ATOM 0 H GLY A 35 8.538 -26.081 33.444 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.533 -24.065 33.334 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.929 -24.791 32.563 1.00 0.00 H new ATOM 550 C VAL A 36 6.214 -23.093 29.812 1.00 0.00 C ATOM 551 CA VAL A 36 7.550 -23.812 29.554 1.00 0.00 C ATOM 552 CB VAL A 36 7.329 -24.947 28.466 1.00 0.00 C ATOM 553 CG1 VAL A 36 8.645 -25.675 28.131 1.00 0.00 C ATOM 554 CG2 VAL A 36 6.233 -25.960 28.884 1.00 0.00 C ATOM 564 N VAL A 36 8.132 -24.320 30.820 1.00 0.00 N ATOM 565 O VAL A 36 5.490 -23.401 30.770 1.00 0.00 O ATOM 0 H VAL A 36 7.467 -24.840 31.393 1.00 0.00 H new ATOM 0 HA VAL A 36 8.282 -23.110 29.154 1.00 0.00 H new ATOM 0 HB VAL A 36 6.979 -24.444 27.564 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.455 -26.445 27.383 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.367 -24.959 27.739 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.045 -26.137 29.034 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.120 -26.716 28.106 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.520 -26.441 29.819 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.287 -25.436 29.021 1.00 0.00 H new ATOM 566 C ILE A 37 3.760 -22.136 27.840 1.00 0.00 C ATOM 567 CA ILE A 37 4.639 -21.421 28.888 1.00 0.00 C ATOM 568 CB ILE A 37 4.834 -19.910 28.498 1.00 0.00 C ATOM 569 CD1 ILE A 37 6.251 -17.821 29.043 1.00 0.00 C ATOM 570 CG1 ILE A 37 5.886 -19.234 29.431 1.00 0.00 C ATOM 571 CG2 ILE A 37 3.487 -19.153 28.548 1.00 0.00 C ATOM 583 N ILE A 37 5.926 -22.115 28.950 1.00 0.00 N ATOM 584 O ILE A 37 4.099 -22.167 26.647 1.00 0.00 O ATOM 0 H ILE A 37 6.597 -21.776 28.260 1.00 0.00 H new ATOM 0 HA ILE A 37 4.159 -21.447 29.866 1.00 0.00 H new ATOM 0 HB ILE A 37 5.208 -19.866 27.475 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.499 -19.229 30.450 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.791 -19.841 29.437 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.646 -18.110 28.275 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.787 -19.609 27.848 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.077 -19.206 29.557 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.987 -17.430 29.745 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.671 -17.817 28.037 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.359 -17.195 29.066 1.00 0.00 H new ATOM 585 C VAL A 38 0.510 -22.663 27.116 1.00 0.00 C ATOM 586 CA VAL A 38 1.741 -23.530 27.463 1.00 0.00 C ATOM 587 CB VAL A 38 1.296 -24.864 28.174 1.00 0.00 C ATOM 588 CG1 VAL A 38 0.350 -25.712 27.285 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.533 -25.682 28.621 1.00 0.00 C ATOM 599 N VAL A 38 2.671 -22.760 28.310 1.00 0.00 N ATOM 600 O VAL A 38 -0.254 -22.266 28.002 1.00 0.00 O ATOM 0 H VAL A 38 2.406 -22.746 29.295 1.00 0.00 H new ATOM 0 HA VAL A 38 2.257 -23.802 26.542 1.00 0.00 H new ATOM 0 HB VAL A 38 0.728 -24.588 29.062 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.070 -26.622 27.816 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.546 -25.136 27.054 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.860 -25.976 26.359 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.205 -26.599 29.110 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.138 -25.931 27.750 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.127 -25.091 29.319 1.00 0.00 H new ATOM 601 C PHE A 39 -1.901 -22.379 24.790 1.00 0.00 C ATOM 602 CA PHE A 39 -0.733 -21.510 25.298 1.00 0.00 C ATOM 603 CB PHE A 39 -0.197 -20.626 24.143 1.00 0.00 C ATOM 604 CD1 PHE A 39 0.649 -18.381 24.957 1.00 0.00 C ATOM 605 CD2 PHE A 39 2.267 -20.064 24.427 1.00 0.00 C ATOM 606 CE1 PHE A 39 1.661 -17.503 25.286 1.00 0.00 C ATOM 607 CE2 PHE A 39 3.280 -19.187 24.759 1.00 0.00 C ATOM 608 CG PHE A 39 0.931 -19.674 24.523 1.00 0.00 C ATOM 609 CZ PHE A 39 2.975 -17.905 25.186 1.00 0.00 C ATOM 619 N PHE A 39 0.351 -22.360 25.818 1.00 0.00 N ATOM 620 O PHE A 39 -1.837 -22.928 23.682 1.00 0.00 O ATOM 0 H PHE A 39 0.979 -22.702 25.091 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.096 -20.872 26.104 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.153 -21.277 23.341 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.024 -20.041 23.741 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.379 -18.060 25.037 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.511 -21.061 24.090 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.424 -16.504 25.621 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.311 -19.501 24.686 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.769 -17.219 25.441 1.00 0.00 H new ATOM 621 C ILE A 40 -5.036 -22.460 24.275 1.00 0.00 C ATOM 622 CA ILE A 40 -4.155 -23.286 25.242 1.00 0.00 C ATOM 623 CB ILE A 40 -4.977 -23.671 26.526 1.00 0.00 C ATOM 624 CD1 ILE A 40 -4.778 -24.781 28.877 1.00 0.00 C ATOM 625 CG1 ILE A 40 -4.075 -24.417 27.570 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.227 -24.505 26.170 1.00 0.00 C ATOM 638 N ILE A 40 -2.953 -22.518 25.607 1.00 0.00 N ATOM 639 O ILE A 40 -5.446 -21.332 24.598 1.00 0.00 O ATOM 0 H ILE A 40 -2.997 -22.103 26.538 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.843 -24.204 24.744 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.324 -22.745 26.984 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.692 -25.330 27.113 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.213 -23.790 27.799 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.771 -24.753 27.082 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.873 -23.928 25.508 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.921 -25.423 25.669 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.077 -25.293 29.537 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.136 -23.873 29.363 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.623 -25.437 28.665 1.00 0.00 H new ATOM 640 C LEU A 41 -7.576 -22.713 22.085 1.00 0.00 C ATOM 641 CA LEU A 41 -6.093 -22.352 22.028 1.00 0.00 C ATOM 642 CB LEU A 41 -5.516 -22.685 20.622 1.00 0.00 C ATOM 643 CD1 LEU A 41 -3.607 -22.398 18.914 1.00 0.00 C ATOM 644 CD2 LEU A 41 -4.364 -20.459 20.369 1.00 0.00 C ATOM 645 CG LEU A 41 -4.174 -21.976 20.288 1.00 0.00 C ATOM 657 N LEU A 41 -5.310 -23.025 23.087 1.00 0.00 N ATOM 658 O LEU A 41 -7.969 -23.728 22.670 1.00 0.00 O ATOM 0 H LEU A 41 -4.996 -23.961 22.830 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.009 -21.280 22.206 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.370 -23.763 20.550 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.254 -22.412 19.867 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.436 -22.287 21.027 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.669 -21.873 18.731 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.428 -23.473 18.909 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.323 -22.146 18.132 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.423 -19.961 20.135 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.126 -20.149 19.654 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.678 -20.185 21.376 1.00 0.00 H new ATOM 659 C ALA A 42 -10.198 -23.230 20.391 1.00 0.00 C ATOM 660 CA ALA A 42 -9.840 -22.041 21.310 1.00 0.00 C ATOM 661 CB ALA A 42 -10.480 -20.744 20.797 1.00 0.00 C ATOM 667 N ALA A 42 -8.383 -21.865 21.427 1.00 0.00 N ATOM 668 O ALA A 42 -11.327 -23.725 20.422 1.00 0.00 O ATOM 0 H ALA A 42 -8.038 -21.028 20.956 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.237 -22.268 22.299 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.558 -20.879 20.712 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.270 -19.934 21.495 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.067 -20.497 19.819 1.00 0.00 H new ATOM 669 C ASN A 43 -8.870 -26.140 19.409 1.00 0.00 C ATOM 670 CA ASN A 43 -9.380 -24.860 18.698 1.00 0.00 C ATOM 671 CB ASN A 43 -8.664 -24.645 17.323 1.00 0.00 C ATOM 672 CG ASN A 43 -7.142 -24.847 17.344 1.00 0.00 C ATOM 679 N ASN A 43 -9.220 -23.675 19.570 1.00 0.00 N ATOM 680 ND2 ASN A 43 -6.376 -23.809 17.651 1.00 0.00 N ATOM 681 O ASN A 43 -8.794 -27.208 18.780 1.00 0.00 O ATOM 682 OD1 ASN A 43 -6.652 -25.940 17.086 1.00 0.00 O ATOM 0 H ASN A 43 -8.306 -23.228 19.493 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.443 -24.994 18.497 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.096 -25.331 16.594 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.876 -23.634 16.974 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.362 -23.913 17.675 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.801 -22.906 17.863 1.00 0.00 H new ATOM 683 C ASP A 44 -6.602 -27.534 20.976 1.00 0.00 C ATOM 684 CA ASP A 44 -7.954 -27.070 21.557 1.00 0.00 C ATOM 685 CB ASP A 44 -8.947 -28.248 21.775 1.00 0.00 C ATOM 686 CG ASP A 44 -8.454 -29.283 22.810 1.00 0.00 C ATOM 691 N ASP A 44 -8.543 -26.004 20.718 1.00 0.00 N ATOM 692 O ASP A 44 -6.413 -28.697 20.583 1.00 0.00 O ATOM 693 OD1 ASP A 44 -8.384 -28.952 24.015 1.00 0.00 O ATOM 694 OD2 ASP A 44 -8.171 -30.448 22.436 1.00 0.00 O ATOM 0 H ASP A 44 -8.685 -25.132 21.227 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.757 -26.656 22.546 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.907 -27.848 22.101 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.118 -28.750 20.823 1.00 0.00 H new ATOM 695 C ARG A 45 -3.394 -26.053 21.451 1.00 0.00 C ATOM 696 CA ARG A 45 -4.292 -26.811 20.472 1.00 0.00 C ATOM 697 CB ARG A 45 -4.038 -26.371 18.993 1.00 0.00 C ATOM 698 CD ARG A 45 -1.514 -25.771 18.722 1.00 0.00 C ATOM 699 CG ARG A 45 -2.649 -26.769 18.405 1.00 0.00 C ATOM 700 CZ ARG A 45 0.661 -26.073 17.492 1.00 0.00 C ATOM 714 N ARG A 45 -5.693 -26.568 20.858 1.00 0.00 N ATOM 715 NE ARG A 45 -0.181 -26.365 18.503 1.00 0.00 N ATOM 716 NH1 ARG A 45 0.305 -25.217 16.528 1.00 0.00 N ATOM 717 NH2 ARG A 45 1.857 -26.643 17.456 1.00 0.00 N ATOM 718 O ARG A 45 -3.544 -24.852 21.625 1.00 0.00 O ATOM 0 H ARG A 45 -5.903 -25.584 21.028 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.064 -27.876 20.521 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.817 -26.803 18.365 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.143 -25.288 18.931 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.372 -27.750 18.791 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.740 -26.866 17.323 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.624 -24.886 18.096 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.599 -25.442 19.758 1.00 0.00 H new ATOM 0 HE ARG A 45 0.132 -27.061 19.180 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.614 -24.776 16.552 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.953 -25.006 15.769 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.133 -27.296 18.189 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.501 -26.429 16.695 1.00 0.00 H new ATOM 719 C GLU A 46 -0.185 -25.886 22.445 1.00 0.00 C ATOM 720 CA GLU A 46 -1.556 -26.159 23.082 1.00 0.00 C ATOM 721 CB GLU A 46 -1.437 -27.078 24.335 1.00 0.00 C ATOM 722 CD GLU A 46 -3.940 -27.740 24.504 1.00 0.00 C ATOM 723 CG GLU A 46 -2.708 -27.143 25.215 1.00 0.00 C ATOM 730 N GLU A 46 -2.458 -26.757 22.089 1.00 0.00 N ATOM 731 O GLU A 46 0.495 -26.806 21.992 1.00 0.00 O ATOM 732 OE1 GLU A 46 -4.927 -27.013 24.246 1.00 0.00 O ATOM 733 OE2 GLU A 46 -3.907 -28.945 24.177 1.00 0.00 O ATOM 0 H GLU A 46 -2.302 -27.753 21.935 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.968 -25.207 23.415 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.188 -28.087 24.006 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.606 -26.728 24.947 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.492 -27.737 26.103 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.952 -26.137 25.556 1.00 0.00 H new ATOM 734 C LEU A 47 2.489 -24.307 23.181 1.00 0.00 C ATOM 735 CA LEU A 47 1.538 -24.171 21.983 1.00 0.00 C ATOM 736 CB LEU A 47 1.494 -22.705 21.470 1.00 0.00 C ATOM 737 CD1 LEU A 47 0.583 -21.010 19.758 1.00 0.00 C ATOM 738 CD2 LEU A 47 1.758 -23.133 18.983 1.00 0.00 C ATOM 739 CG LEU A 47 0.854 -22.503 20.061 1.00 0.00 C ATOM 751 N LEU A 47 0.190 -24.604 22.379 1.00 0.00 N ATOM 752 O LEU A 47 2.059 -24.223 24.335 1.00 0.00 O ATOM 0 H LEU A 47 -0.437 -23.830 22.600 1.00 0.00 H new ATOM 0 HA LEU A 47 1.905 -24.802 21.173 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.940 -22.103 22.191 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.512 -22.317 21.446 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.113 -23.006 20.052 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.138 -20.915 18.768 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.101 -20.606 20.504 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.521 -20.456 19.788 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.307 -22.990 18.001 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.738 -22.656 19.006 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.869 -24.199 19.179 1.00 0.00 H new ATOM 753 C LYS A 48 6.060 -24.024 23.613 1.00 0.00 C ATOM 754 CA LYS A 48 4.787 -24.813 23.921 1.00 0.00 C ATOM 755 CB LYS A 48 5.085 -26.333 23.936 1.00 0.00 C ATOM 756 CD LYS A 48 6.603 -28.220 24.823 1.00 0.00 C ATOM 757 CE LYS A 48 7.305 -28.815 26.058 1.00 0.00 C ATOM 758 CG LYS A 48 6.059 -26.793 25.053 1.00 0.00 C ATOM 772 N LYS A 48 3.778 -24.516 22.898 1.00 0.00 N ATOM 773 NZ LYS A 48 6.335 -29.142 27.140 1.00 0.00 N ATOM 774 O LYS A 48 6.835 -24.394 22.725 1.00 0.00 O ATOM 0 H LYS A 48 4.153 -24.484 21.950 1.00 0.00 H new ATOM 0 HA LYS A 48 4.414 -24.523 24.903 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.145 -26.872 24.048 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.502 -26.617 22.970 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.895 -26.095 25.110 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.546 -26.755 26.014 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.779 -28.872 24.533 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.304 -28.203 23.989 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.846 -29.716 25.770 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.043 -28.106 26.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.649 -28.707 28.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.396 -28.774 26.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.282 -30.174 27.259 1.00 0.00 H new ATOM 775 C PHE A 49 7.949 -21.681 25.561 1.00 0.00 C ATOM 776 CA PHE A 49 7.414 -22.031 24.167 1.00 0.00 C ATOM 777 CB PHE A 49 7.056 -20.738 23.394 1.00 0.00 C ATOM 778 CD1 PHE A 49 7.517 -20.954 20.893 1.00 0.00 C ATOM 779 CD2 PHE A 49 5.252 -21.136 21.641 1.00 0.00 C ATOM 780 CE1 PHE A 49 7.103 -21.137 19.585 1.00 0.00 C ATOM 781 CE2 PHE A 49 4.842 -21.320 20.335 1.00 0.00 C ATOM 782 CG PHE A 49 6.597 -20.942 21.947 1.00 0.00 C ATOM 783 CZ PHE A 49 5.767 -21.329 19.308 1.00 0.00 C ATOM 793 N PHE A 49 6.235 -22.901 24.311 1.00 0.00 N ATOM 794 O PHE A 49 7.171 -21.439 26.479 1.00 0.00 O ATOM 0 H PHE A 49 5.561 -22.563 24.998 1.00 0.00 H new ATOM 0 HA PHE A 49 8.179 -22.560 23.599 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.268 -20.217 23.937 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.928 -20.083 23.392 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.568 -20.818 21.103 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.520 -21.143 22.435 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.826 -21.129 18.783 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.794 -21.458 20.115 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.443 -21.486 18.290 1.00 0.00 H new ATOM 795 C ARG A 50 9.916 -19.860 27.317 1.00 0.00 C ATOM 796 CA ARG A 50 9.948 -21.380 26.999 1.00 0.00 C ATOM 797 CB ARG A 50 11.423 -21.911 26.976 1.00 0.00 C ATOM 798 CD ARG A 50 11.062 -24.155 25.733 1.00 0.00 C ATOM 799 CG ARG A 50 11.599 -23.455 26.995 1.00 0.00 C ATOM 800 CZ ARG A 50 11.388 -26.387 24.639 1.00 0.00 C ATOM 814 N ARG A 50 9.280 -21.645 25.704 1.00 0.00 N ATOM 815 NE ARG A 50 11.296 -25.610 25.736 1.00 0.00 N ATOM 816 NH1 ARG A 50 11.306 -25.861 23.419 1.00 0.00 N ATOM 817 NH2 ARG A 50 11.558 -27.691 24.777 1.00 0.00 N ATOM 818 O ARG A 50 9.768 -19.039 26.401 1.00 0.00 O ATOM 0 H ARG A 50 9.929 -21.797 24.932 1.00 0.00 H new ATOM 0 HA ARG A 50 9.409 -21.909 27.785 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.913 -21.522 26.084 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.950 -21.496 27.835 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.657 -23.690 27.107 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.088 -23.859 27.869 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.992 -23.965 25.647 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.535 -23.719 24.853 1.00 0.00 H new ATOM 0 HE ARG A 50 11.397 -26.066 26.643 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.172 -24.856 23.305 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.378 -26.463 22.598 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.619 -28.102 25.709 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.629 -28.286 23.952 1.00 0.00 H new ATOM 819 C PRO A 51 11.478 -17.422 28.336 1.00 0.00 C ATOM 820 CA PRO A 51 10.216 -18.034 29.003 1.00 0.00 C ATOM 821 CB PRO A 51 10.320 -18.065 30.555 1.00 0.00 C ATOM 822 CD PRO A 51 9.919 -20.319 29.826 1.00 0.00 C ATOM 823 CG PRO A 51 10.595 -19.499 30.898 1.00 0.00 C ATOM 831 N PRO A 51 10.025 -19.456 28.625 1.00 0.00 N ATOM 832 O PRO A 51 11.426 -16.330 27.769 1.00 0.00 O ATOM 0 HA PRO A 51 9.399 -17.398 28.662 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.119 -17.414 30.910 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.397 -17.718 31.019 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.667 -19.696 30.922 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.203 -19.747 31.884 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.416 -21.278 29.678 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.880 -20.534 30.078 1.00 0.00 H new ATOM 833 C ASP A 52 13.837 -18.001 26.169 1.00 0.00 C ATOM 834 CA ASP A 52 13.856 -17.765 27.693 1.00 0.00 C ATOM 835 CB ASP A 52 15.042 -18.517 28.343 1.00 0.00 C ATOM 836 CG ASP A 52 14.980 -20.045 28.154 1.00 0.00 C ATOM 841 N ASP A 52 12.586 -18.179 28.340 1.00 0.00 N ATOM 842 O ASP A 52 14.867 -17.897 25.498 1.00 0.00 O ATOM 843 OD1 ASP A 52 15.793 -20.603 27.385 1.00 0.00 O ATOM 844 OD2 ASP A 52 14.107 -20.688 28.775 1.00 0.00 O ATOM 0 H ASP A 52 12.634 -19.094 28.788 1.00 0.00 H new ATOM 0 HA ASP A 52 13.975 -16.693 27.847 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.974 -18.144 27.919 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.064 -18.292 29.409 1.00 0.00 H new ATOM 845 C ASP A 53 11.696 -17.177 23.685 1.00 0.00 C ATOM 846 CA ASP A 53 12.449 -18.424 24.191 1.00 0.00 C ATOM 847 CB ASP A 53 11.683 -19.729 23.894 1.00 0.00 C ATOM 848 CG ASP A 53 11.413 -19.954 22.407 1.00 0.00 C ATOM 853 N ASP A 53 12.663 -18.302 25.630 1.00 0.00 N ATOM 854 O ASP A 53 12.093 -16.564 22.692 1.00 0.00 O ATOM 855 OD1 ASP A 53 12.315 -20.455 21.699 1.00 0.00 O ATOM 856 OD2 ASP A 53 10.294 -19.656 21.941 1.00 0.00 O ATOM 0 H ASP A 53 11.823 -18.470 26.184 1.00 0.00 H new ATOM 0 HA ASP A 53 13.401 -18.476 23.663 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.254 -20.572 24.283 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.733 -19.713 24.429 1.00 0.00 H new ATOM 857 C LEU A 54 10.333 -14.310 24.387 1.00 0.00 C ATOM 858 CA LEU A 54 9.734 -15.678 24.050 1.00 0.00 C ATOM 859 CB LEU A 54 8.384 -15.842 24.783 1.00 0.00 C ATOM 860 CD1 LEU A 54 6.370 -17.271 25.353 1.00 0.00 C ATOM 861 CD2 LEU A 54 7.252 -17.214 22.973 1.00 0.00 C ATOM 862 CG LEU A 54 7.614 -17.147 24.469 1.00 0.00 C ATOM 874 N LEU A 54 10.637 -16.789 24.424 1.00 0.00 N ATOM 875 O LEU A 54 11.149 -14.190 25.300 1.00 0.00 O ATOM 0 H LEU A 54 10.381 -17.240 25.303 1.00 0.00 H new ATOM 0 HA LEU A 54 9.589 -15.720 22.971 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.565 -15.796 25.857 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.747 -14.994 24.530 1.00 0.00 H new ATOM 0 HG LEU A 54 8.262 -17.994 24.694 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.845 -18.196 25.114 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.668 -17.283 26.401 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.710 -16.422 25.173 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.711 -18.138 22.771 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.625 -16.362 22.712 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.164 -17.189 22.377 1.00 0.00 H new ATOM 876 C GLN A 55 9.719 -11.276 25.123 1.00 0.00 C ATOM 877 CA GLN A 55 10.300 -11.888 23.838 1.00 0.00 C ATOM 878 CB GLN A 55 9.921 -11.031 22.600 1.00 0.00 C ATOM 879 CD GLN A 55 10.010 -8.672 21.493 1.00 0.00 C ATOM 880 CG GLN A 55 10.199 -9.510 22.764 1.00 0.00 C ATOM 889 N GLN A 55 9.867 -13.285 23.650 1.00 0.00 N ATOM 890 NE2 GLN A 55 9.145 -9.111 20.595 1.00 0.00 N ATOM 891 O GLN A 55 10.439 -10.600 25.865 1.00 0.00 O ATOM 892 OE1 GLN A 55 10.645 -7.635 21.320 1.00 0.00 O ATOM 0 H GLN A 55 9.179 -13.402 22.906 1.00 0.00 H new ATOM 0 HA GLN A 55 11.385 -11.891 23.943 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.474 -11.398 21.736 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.862 -11.174 22.385 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.541 -9.118 23.540 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.222 -9.380 23.117 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.630 -9.975 20.763 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.992 -8.585 19.734 1.00 0.00 H new ATOM 893 C ALA A 56 8.448 -11.385 27.867 1.00 0.00 C ATOM 894 CA ALA A 56 7.703 -11.017 26.580 1.00 0.00 C ATOM 895 CB ALA A 56 6.254 -11.563 26.643 1.00 0.00 C ATOM 901 N ALA A 56 8.408 -11.521 25.373 1.00 0.00 N ATOM 902 O ALA A 56 8.647 -10.555 28.759 1.00 0.00 O ATOM 0 H ALA A 56 7.814 -12.068 24.750 1.00 0.00 H new ATOM 0 HA ALA A 56 7.673 -9.930 26.500 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.759 -11.180 27.535 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.705 -11.242 25.758 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.277 -12.652 26.680 1.00 0.00 H new ATOM 903 C THR A 57 10.851 -13.595 29.132 1.00 0.00 C ATOM 904 CA THR A 57 9.353 -13.309 29.106 1.00 0.00 C ATOM 905 CB THR A 57 8.552 -14.634 29.190 1.00 0.00 C ATOM 906 CG2 THR A 57 7.071 -14.348 29.321 1.00 0.00 C ATOM 914 N THR A 57 8.924 -12.621 27.892 1.00 0.00 N ATOM 915 O THR A 57 11.310 -14.410 29.941 1.00 0.00 O ATOM 916 OG1 THR A 57 8.747 -15.401 27.993 1.00 0.00 O ATOM 0 H THR A 57 9.026 -13.189 27.051 1.00 0.00 H new ATOM 0 HA THR A 57 9.159 -12.665 29.964 1.00 0.00 H new ATOM 0 HB THR A 57 8.906 -15.187 30.061 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.695 -15.634 27.905 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.523 -15.288 29.379 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.891 -13.767 30.225 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.731 -13.783 28.453 1.00 0.00 H new ATOM 917 C TYR A 58 13.810 -12.649 29.314 1.00 0.00 C ATOM 918 CA TYR A 58 13.037 -13.162 28.085 1.00 0.00 C ATOM 919 CB TYR A 58 13.510 -12.498 26.768 1.00 0.00 C ATOM 920 CD1 TYR A 58 14.782 -14.469 25.768 1.00 0.00 C ATOM 921 CD2 TYR A 58 15.936 -12.382 25.948 1.00 0.00 C ATOM 922 CE1 TYR A 58 15.905 -15.037 25.201 1.00 0.00 C ATOM 923 CE2 TYR A 58 17.056 -12.954 25.382 1.00 0.00 C ATOM 924 CG TYR A 58 14.773 -13.124 26.161 1.00 0.00 C ATOM 925 CZ TYR A 58 17.033 -14.278 25.009 1.00 0.00 C ATOM 935 N TYR A 58 11.606 -12.914 28.263 1.00 0.00 N ATOM 936 O TYR A 58 14.250 -11.494 29.363 1.00 0.00 O ATOM 937 OH TYR A 58 18.154 -14.844 24.447 1.00 0.00 O ATOM 0 H TYR A 58 11.239 -12.175 27.663 1.00 0.00 H new ATOM 0 HA TYR A 58 13.233 -14.231 28.005 1.00 0.00 H new ATOM 0 HB2 TYR A 58 12.704 -12.555 26.037 1.00 0.00 H new ATOM 0 HB3 TYR A 58 13.697 -11.441 26.955 1.00 0.00 H new ATOM 0 HD1 TYR A 58 13.897 -15.071 25.911 1.00 0.00 H new ATOM 0 HD2 TYR A 58 15.959 -11.340 26.232 1.00 0.00 H new ATOM 0 HE1 TYR A 58 15.896 -16.077 24.909 1.00 0.00 H new ATOM 0 HE2 TYR A 58 17.948 -12.364 25.232 1.00 0.00 H new ATOM 0 HH TYR A 58 18.862 -14.170 24.381 1.00 0.00 H new ATOM 938 C GLY A 59 13.397 -12.726 32.613 1.00 0.00 C ATOM 939 CA GLY A 59 14.474 -13.170 31.624 1.00 0.00 C ATOM 943 N GLY A 59 13.922 -13.525 30.319 1.00 0.00 N ATOM 944 O GLY A 59 13.606 -11.782 33.383 1.00 0.00 O ATOM 0 H GLY A 59 13.631 -14.500 30.247 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.009 -14.027 32.034 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.203 -12.369 31.501 1.00 0.00 H new ATOM 945 C ALA A 60 10.934 -14.325 34.515 1.00 0.00 C ATOM 946 CA ALA A 60 11.104 -13.161 33.510 1.00 0.00 C ATOM 947 CB ALA A 60 9.798 -12.941 32.724 1.00 0.00 C ATOM 953 N ALA A 60 12.232 -13.409 32.580 1.00 0.00 N ATOM 954 O ALA A 60 11.239 -15.485 34.198 1.00 0.00 O ATOM 0 H ALA A 60 12.045 -14.151 31.906 1.00 0.00 H new ATOM 0 HA ALA A 60 11.333 -12.259 34.077 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.980 -12.760 33.421 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.910 -12.080 32.065 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.578 -13.827 32.128 1.00 0.00 H new ATOM 955 C THR A 61 8.824 -15.656 36.663 1.00 0.00 C ATOM 956 CA THR A 61 10.201 -14.951 36.812 1.00 0.00 C ATOM 957 CB THR A 61 10.265 -14.213 38.188 1.00 0.00 C ATOM 958 CG2 THR A 61 11.662 -13.678 38.522 1.00 0.00 C ATOM 966 N THR A 61 10.430 -13.990 35.715 1.00 0.00 N ATOM 967 O THR A 61 7.909 -15.089 36.051 1.00 0.00 O ATOM 968 OG1 THR A 61 9.336 -13.129 38.192 1.00 0.00 O ATOM 0 H THR A 61 10.167 -13.034 35.955 1.00 0.00 H new ATOM 0 HA THR A 61 10.982 -15.709 36.765 1.00 0.00 H new ATOM 0 HB THR A 61 10.011 -14.949 38.951 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.375 -12.668 39.056 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.638 -13.177 39.490 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.369 -14.506 38.560 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.974 -12.970 37.754 1.00 0.00 H new ATOM 969 C PRO A 62 6.153 -16.932 37.717 1.00 0.00 C ATOM 970 CA PRO A 62 7.381 -17.671 37.136 1.00 0.00 C ATOM 971 CB PRO A 62 7.673 -18.986 37.916 1.00 0.00 C ATOM 972 CD PRO A 62 9.681 -17.685 37.978 1.00 0.00 C ATOM 973 CG PRO A 62 8.857 -18.666 38.772 1.00 0.00 C ATOM 981 N PRO A 62 8.652 -16.903 37.236 1.00 0.00 N ATOM 982 O PRO A 62 5.053 -17.093 37.196 1.00 0.00 O ATOM 0 HA PRO A 62 7.108 -17.836 36.094 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.817 -19.286 38.521 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.887 -19.810 37.236 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.547 -18.236 39.724 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.430 -19.565 38.999 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.283 -17.047 38.625 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.369 -18.191 37.301 1.00 0.00 H new ATOM 983 C GLU A 63 4.645 -14.315 38.434 1.00 0.00 C ATOM 984 CA GLU A 63 5.265 -15.323 39.419 1.00 0.00 C ATOM 985 CB GLU A 63 5.766 -14.588 40.709 1.00 0.00 C ATOM 986 CD GLU A 63 8.330 -14.513 41.116 1.00 0.00 C ATOM 987 CG GLU A 63 7.086 -13.779 40.564 1.00 0.00 C ATOM 994 N GLU A 63 6.357 -16.114 38.777 1.00 0.00 N ATOM 995 O GLU A 63 3.426 -14.094 38.436 1.00 0.00 O ATOM 996 OE1 GLU A 63 8.526 -15.707 40.792 1.00 0.00 O ATOM 997 OE2 GLU A 63 9.125 -13.898 41.855 1.00 0.00 O ATOM 0 H GLU A 63 7.270 -15.980 39.212 1.00 0.00 H new ATOM 0 HA GLU A 63 4.491 -16.032 39.713 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.982 -13.909 41.044 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.902 -15.330 41.496 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.248 -13.551 39.511 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.977 -12.827 41.083 1.00 0.00 H new ATOM 998 C GLN A 64 4.281 -13.519 35.414 1.00 0.00 C ATOM 999 CA GLN A 64 5.087 -12.798 36.520 1.00 0.00 C ATOM 1000 CB GLN A 64 6.346 -12.123 35.921 1.00 0.00 C ATOM 1001 CD GLN A 64 8.429 -10.661 36.367 1.00 0.00 C ATOM 1002 CG GLN A 64 7.154 -11.294 36.938 1.00 0.00 C ATOM 1011 N GLN A 64 5.498 -13.741 37.576 1.00 0.00 N ATOM 1012 NE2 GLN A 64 8.787 -9.485 36.865 1.00 0.00 N ATOM 1013 O GLN A 64 3.459 -12.901 34.726 1.00 0.00 O ATOM 1014 OE1 GLN A 64 9.077 -11.216 35.481 1.00 0.00 O ATOM 0 H GLN A 64 6.502 -13.918 37.593 1.00 0.00 H new ATOM 0 HA GLN A 64 4.440 -12.038 36.957 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.993 -12.892 35.499 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.042 -11.475 35.099 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.516 -10.504 37.333 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.425 -11.934 37.777 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.228 -9.051 37.600 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.621 -9.015 36.513 1.00 0.00 H new ATOM 1015 C LEU A 65 2.757 -16.520 34.877 1.00 0.00 C ATOM 1016 CA LEU A 65 3.921 -15.719 34.259 1.00 0.00 C ATOM 1017 CB LEU A 65 5.013 -16.680 33.696 1.00 0.00 C ATOM 1018 CD1 LEU A 65 7.305 -16.977 32.587 1.00 0.00 C ATOM 1019 CD2 LEU A 65 6.142 -14.709 32.517 1.00 0.00 C ATOM 1020 CG LEU A 65 6.366 -16.004 33.317 1.00 0.00 C ATOM 1032 N LEU A 65 4.525 -14.841 35.287 1.00 0.00 N ATOM 1033 O LEU A 65 2.368 -17.579 34.372 1.00 0.00 O ATOM 0 H LEU A 65 5.161 -15.339 35.909 1.00 0.00 H new ATOM 0 HA LEU A 65 3.528 -15.115 33.442 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.208 -17.455 34.437 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.614 -17.178 32.812 1.00 0.00 H new ATOM 0 HG LEU A 65 6.863 -15.726 34.246 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.237 -16.468 32.340 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.518 -17.830 33.231 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.828 -17.325 31.671 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.105 -14.263 32.269 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.601 -14.938 31.599 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.561 -14.007 33.116 1.00 0.00 H new ATOM 1034 C ARG A 66 -0.074 -15.348 36.501 1.00 0.00 C ATOM 1035 CA ARG A 66 0.968 -16.471 36.595 1.00 0.00 C ATOM 1036 CB ARG A 66 1.198 -16.900 38.068 1.00 0.00 C ATOM 1037 CD ARG A 66 2.312 -18.573 39.671 1.00 0.00 C ATOM 1038 CG ARG A 66 2.200 -18.063 38.227 1.00 0.00 C ATOM 1039 CZ ARG A 66 0.713 -20.222 40.692 1.00 0.00 C ATOM 1053 N ARG A 66 2.226 -16.007 35.993 1.00 0.00 N ATOM 1054 NE ARG A 66 1.003 -19.009 40.200 1.00 0.00 N ATOM 1055 NH1 ARG A 66 1.591 -21.221 40.620 1.00 0.00 N ATOM 1056 NH2 ARG A 66 -0.480 -20.437 41.214 1.00 0.00 N ATOM 1057 O ARG A 66 -1.283 -15.605 36.439 1.00 0.00 O ATOM 0 H ARG A 66 2.664 -15.246 36.512 1.00 0.00 H new ATOM 0 HA ARG A 66 0.600 -17.343 36.054 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.559 -16.042 38.635 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.243 -17.193 38.505 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.896 -18.886 37.580 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.183 -17.736 37.887 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.015 -19.405 39.710 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.716 -17.784 40.305 1.00 0.00 H new ATOM 0 HE ARG A 66 0.249 -18.322 40.190 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.501 -21.070 40.185 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.353 -22.137 41.000 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.169 -19.685 41.240 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.713 -21.355 41.592 1.00 0.00 H new ATOM 1058 C GLU A 67 -0.494 -12.504 34.858 1.00 0.00 C ATOM 1059 CA GLU A 67 -0.448 -12.904 36.343 1.00 0.00 C ATOM 1060 CB GLU A 67 0.048 -11.746 37.251 1.00 0.00 C ATOM 1061 CD GLU A 67 -0.653 -12.840 39.490 1.00 0.00 C ATOM 1062 CG GLU A 67 0.469 -12.169 38.674 1.00 0.00 C ATOM 1069 N GLU A 67 0.411 -14.090 36.486 1.00 0.00 N ATOM 1070 O GLU A 67 0.244 -11.620 34.386 1.00 0.00 O ATOM 1071 OE1 GLU A 67 -1.545 -12.124 40.000 1.00 0.00 O ATOM 1072 OE2 GLU A 67 -0.651 -14.085 39.634 1.00 0.00 O ATOM 0 H GLU A 67 1.404 -13.871 36.572 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.461 -13.136 36.672 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.896 -11.262 36.766 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.743 -11.001 37.329 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.312 -12.856 38.602 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.820 -11.289 39.214 1.00 0.00 H new ATOM 1073 C ILE A 68 -2.901 -12.852 32.260 1.00 0.00 C ATOM 1074 CA ILE A 68 -1.448 -13.172 32.673 1.00 0.00 C ATOM 1075 CB ILE A 68 -0.997 -14.561 32.071 1.00 0.00 C ATOM 1076 CD1 ILE A 68 0.955 -16.247 31.946 1.00 0.00 C ATOM 1077 CG1 ILE A 68 0.531 -14.831 32.283 1.00 0.00 C ATOM 1078 CG2 ILE A 68 -1.331 -14.686 30.570 1.00 0.00 C ATOM 1090 N ILE A 68 -1.341 -13.235 34.131 1.00 0.00 N ATOM 1091 O ILE A 68 -3.853 -13.306 32.901 1.00 0.00 O ATOM 0 H ILE A 68 -1.987 -13.903 34.551 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.804 -12.381 32.288 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.566 -15.312 32.619 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.102 -14.135 31.669 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.786 -14.623 33.322 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.001 -15.658 30.204 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.407 -14.591 30.428 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.821 -13.898 30.017 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.026 -16.357 32.118 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.412 -16.950 32.578 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.733 -16.454 30.899 1.00 0.00 H new ATOM 1092 C GLU A 69 -4.160 -12.060 29.021 1.00 0.00 C ATOM 1093 CA GLU A 69 -4.339 -11.797 30.529 1.00 0.00 C ATOM 1094 CB GLU A 69 -4.776 -10.329 30.808 1.00 0.00 C ATOM 1095 CD GLU A 69 -6.566 -8.495 30.572 1.00 0.00 C ATOM 1096 CG GLU A 69 -6.156 -9.938 30.240 1.00 0.00 C ATOM 1103 N GLU A 69 -3.049 -12.065 31.190 1.00 0.00 N ATOM 1104 O GLU A 69 -3.030 -12.141 28.559 1.00 0.00 O ATOM 1105 OE1 GLU A 69 -7.485 -8.294 31.403 1.00 0.00 O ATOM 1106 OE2 GLU A 69 -5.961 -7.552 30.024 1.00 0.00 O ATOM 0 H GLU A 69 -2.265 -11.586 30.748 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.123 -12.448 30.916 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.785 -10.168 31.886 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.025 -9.657 30.391 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.144 -10.065 29.157 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.909 -10.621 30.633 1.00 0.00 H new ATOM 1107 C ILE A 70 -4.959 -10.936 26.164 1.00 0.00 C ATOM 1108 CA ILE A 70 -5.212 -12.338 26.780 1.00 0.00 C ATOM 1109 CB ILE A 70 -6.549 -12.992 26.220 1.00 0.00 C ATOM 1110 CD1 ILE A 70 -5.639 -15.376 26.739 1.00 0.00 C ATOM 1111 CG1 ILE A 70 -6.788 -14.394 26.880 1.00 0.00 C ATOM 1112 CG2 ILE A 70 -6.575 -13.099 24.664 1.00 0.00 C ATOM 1124 N ILE A 70 -5.260 -12.226 28.263 1.00 0.00 N ATOM 1125 O ILE A 70 -5.234 -9.918 26.815 1.00 0.00 O ATOM 0 H ILE A 70 -6.202 -12.287 28.650 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.390 -12.994 26.493 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.365 -12.322 26.493 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.993 -14.249 27.941 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.681 -14.838 26.440 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.513 -13.553 24.346 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.489 -12.103 24.229 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.741 -13.715 24.328 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.901 -16.315 27.227 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.444 -15.559 25.682 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.746 -14.961 27.206 1.00 0.00 H new ATOM 1126 C SER A 71 -5.323 -8.736 24.057 1.00 0.00 C ATOM 1127 CA SER A 71 -4.077 -9.647 24.209 1.00 0.00 C ATOM 1128 CB SER A 71 -3.499 -9.976 22.808 1.00 0.00 C ATOM 1134 N SER A 71 -4.400 -10.901 24.931 1.00 0.00 N ATOM 1135 O SER A 71 -6.451 -9.244 24.000 1.00 0.00 O ATOM 1136 OG SER A 71 -4.414 -10.738 22.030 1.00 0.00 O ATOM 0 H SER A 71 -4.160 -11.743 24.408 1.00 0.00 H new ATOM 0 HA SER A 71 -3.335 -9.108 24.798 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.260 -9.050 22.286 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.566 -10.529 22.919 1.00 0.00 H new ATOM 0 HG SER A 71 -4.284 -10.535 21.080 1.00 0.00 H new ATOM 1137 C PRO A 72 -6.777 -6.546 22.245 1.00 0.00 C ATOM 1138 CA PRO A 72 -6.260 -6.434 23.705 1.00 0.00 C ATOM 1139 CB PRO A 72 -5.629 -5.049 24.007 1.00 0.00 C ATOM 1140 CD PRO A 72 -3.850 -6.645 24.167 1.00 0.00 C ATOM 1141 CG PRO A 72 -4.172 -5.236 23.718 1.00 0.00 C ATOM 1149 N PRO A 72 -5.141 -7.376 23.978 1.00 0.00 N ATOM 1150 O PRO A 72 -7.760 -5.901 21.871 1.00 0.00 O ATOM 0 HA PRO A 72 -7.146 -6.635 24.308 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.062 -4.269 23.380 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.794 -4.754 25.043 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.962 -5.104 22.657 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.568 -4.505 24.255 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.050 -7.083 23.571 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.523 -6.670 25.207 1.00 0.00 H new ATOM 1151 C SER A 73 -7.109 -9.164 20.031 1.00 0.00 C ATOM 1152 CA SER A 73 -6.504 -7.737 20.069 1.00 0.00 C ATOM 1153 CB SER A 73 -5.298 -7.629 19.122 1.00 0.00 C ATOM 1159 N SER A 73 -6.081 -7.366 21.433 1.00 0.00 N ATOM 1160 O SER A 73 -7.498 -9.642 18.960 1.00 0.00 O ATOM 1161 OG SER A 73 -4.806 -6.298 19.082 1.00 0.00 O ATOM 0 H SER A 73 -5.198 -7.795 21.710 1.00 0.00 H new ATOM 0 HA SER A 73 -7.285 -7.050 19.743 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.508 -8.304 19.453 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.588 -7.945 18.120 1.00 0.00 H new ATOM 0 HG SER A 73 -4.038 -6.251 18.475 1.00 0.00 H new ATOM 1162 C GLY A 74 -7.143 -12.351 20.738 1.00 0.00 C ATOM 1163 CA GLY A 74 -7.812 -11.134 21.389 1.00 0.00 C ATOM 1167 N GLY A 74 -7.111 -9.849 21.197 1.00 0.00 N ATOM 1168 O GLY A 74 -7.600 -13.485 20.930 1.00 0.00 O ATOM 0 H GLY A 74 -6.624 -9.523 22.032 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.906 -11.321 22.459 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.823 -11.040 20.992 1.00 0.00 H new ATOM 1169 C LEU A 75 -4.333 -13.818 20.322 1.00 0.00 C ATOM 1170 CA LEU A 75 -5.300 -13.196 19.320 1.00 0.00 C ATOM 1171 CB LEU A 75 -4.520 -12.652 18.092 1.00 0.00 C ATOM 1172 CD1 LEU A 75 -4.529 -11.684 15.736 1.00 0.00 C ATOM 1173 CD2 LEU A 75 -5.914 -13.746 16.294 1.00 0.00 C ATOM 1174 CG LEU A 75 -5.359 -12.409 16.815 1.00 0.00 C ATOM 1186 N LEU A 75 -6.067 -12.123 19.970 1.00 0.00 N ATOM 1187 O LEU A 75 -4.552 -14.927 20.796 1.00 0.00 O ATOM 0 H LEU A 75 -5.704 -11.189 19.782 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.997 -13.958 18.970 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.043 -11.713 18.375 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.722 -13.355 17.852 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.199 -11.760 17.063 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.143 -11.526 14.850 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.193 -10.721 16.121 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.663 -12.292 15.474 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.504 -13.569 15.395 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.087 -14.417 16.060 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.544 -14.201 17.058 1.00 0.00 H new ATOM 1188 C GLY A 76 -2.460 -13.333 22.950 1.00 0.00 C ATOM 1189 CA GLY A 76 -2.188 -13.555 21.489 1.00 0.00 C ATOM 1193 N GLY A 76 -3.265 -13.068 20.642 1.00 0.00 N ATOM 1194 O GLY A 76 -3.571 -13.579 23.427 1.00 0.00 O ATOM 0 H GLY A 76 -3.134 -12.110 20.316 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.041 -14.620 21.308 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.260 -13.054 21.215 1.00 0.00 H new ATOM 1195 C VAL A 77 -1.020 -11.266 25.489 1.00 0.00 C ATOM 1196 CA VAL A 77 -1.515 -12.663 25.098 1.00 0.00 C ATOM 1197 CB VAL A 77 -0.646 -13.778 25.788 1.00 0.00 C ATOM 1198 CG1 VAL A 77 0.830 -13.378 25.880 1.00 0.00 C ATOM 1199 CG2 VAL A 77 -1.221 -14.167 27.153 1.00 0.00 C ATOM 1209 N VAL A 77 -1.468 -12.808 23.649 1.00 0.00 N ATOM 1210 O VAL A 77 -0.293 -10.637 24.735 1.00 0.00 O ATOM 0 H VAL A 77 -0.603 -12.468 23.228 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.544 -12.780 25.439 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.690 -14.663 25.154 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.394 -14.176 26.363 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.225 -13.210 24.878 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.923 -12.463 26.465 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.598 -14.939 27.604 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.241 -13.292 27.802 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.235 -14.547 27.026 1.00 0.00 H new ATOM 1211 C TYR A 78 -0.578 -9.874 28.731 1.00 0.00 C ATOM 1212 CA TYR A 78 -0.921 -9.568 27.264 1.00 0.00 C ATOM 1213 CB TYR A 78 -1.947 -8.409 27.148 1.00 0.00 C ATOM 1214 CD1 TYR A 78 -1.847 -6.504 28.861 1.00 0.00 C ATOM 1215 CD2 TYR A 78 -0.495 -6.332 26.891 1.00 0.00 C ATOM 1216 CE1 TYR A 78 -1.365 -5.286 29.301 1.00 0.00 C ATOM 1217 CE2 TYR A 78 -0.015 -5.113 27.327 1.00 0.00 C ATOM 1218 CG TYR A 78 -1.426 -7.054 27.640 1.00 0.00 C ATOM 1219 CZ TYR A 78 -0.445 -4.595 28.533 1.00 0.00 C ATOM 1229 N TYR A 78 -1.449 -10.783 26.650 1.00 0.00 N ATOM 1230 O TYR A 78 -1.453 -9.896 29.603 1.00 0.00 O ATOM 1231 OH TYR A 78 0.042 -3.377 28.968 1.00 0.00 O ATOM 0 H TYR A 78 -2.183 -11.230 27.199 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.018 -9.247 26.745 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.251 -8.312 26.106 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.839 -8.671 27.717 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.560 -7.042 29.467 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.143 -6.735 25.953 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.705 -4.875 30.240 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.696 -4.565 26.726 1.00 0.00 H new ATOM 0 HH TYR A 78 0.680 -3.026 28.312 1.00 0.00 H new ATOM 1232 C PHE A 79 1.242 -9.059 31.078 1.00 0.00 C ATOM 1233 CA PHE A 79 1.230 -10.384 30.325 1.00 0.00 C ATOM 1234 CB PHE A 79 2.647 -11.013 30.271 1.00 0.00 C ATOM 1235 CD1 PHE A 79 1.611 -13.190 29.526 1.00 0.00 C ATOM 1236 CD2 PHE A 79 3.859 -12.906 29.155 1.00 0.00 C ATOM 1237 CE1 PHE A 79 1.672 -14.439 28.944 1.00 0.00 C ATOM 1238 CE2 PHE A 79 3.914 -14.156 28.573 1.00 0.00 C ATOM 1239 CG PHE A 79 2.704 -12.400 29.629 1.00 0.00 C ATOM 1240 CZ PHE A 79 2.826 -14.923 28.481 1.00 0.00 C ATOM 1250 N PHE A 79 0.707 -10.165 28.973 1.00 0.00 N ATOM 1251 O PHE A 79 1.981 -8.147 30.716 1.00 0.00 O ATOM 0 H PHE A 79 1.410 -10.255 28.239 1.00 0.00 H new ATOM 0 HA PHE A 79 0.585 -11.085 30.854 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.306 -10.344 29.718 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.039 -11.080 31.286 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.666 -12.834 29.909 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.763 -12.320 29.232 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.774 -15.033 28.862 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.854 -14.520 28.185 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.878 -15.909 28.044 1.00 0.00 H new ATOM 1252 C GLU A 80 1.251 -7.252 33.688 1.00 0.00 C ATOM 1253 CA GLU A 80 0.083 -7.725 32.801 1.00 0.00 C ATOM 1254 CB GLU A 80 -1.217 -7.896 33.625 1.00 0.00 C ATOM 1255 CD GLU A 80 -3.093 -6.744 34.945 1.00 0.00 C ATOM 1256 CG GLU A 80 -1.684 -6.622 34.352 1.00 0.00 C ATOM 1263 N GLU A 80 0.408 -8.984 32.114 1.00 0.00 N ATOM 1264 O GLU A 80 1.516 -6.046 33.791 1.00 0.00 O ATOM 1265 OE1 GLU A 80 -4.071 -6.400 34.249 1.00 0.00 O ATOM 1266 OE2 GLU A 80 -3.231 -7.180 36.107 1.00 0.00 O ATOM 0 H GLU A 80 -0.066 -9.797 32.506 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.080 -6.952 32.050 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.012 -8.232 32.960 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.064 -8.684 34.362 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.980 -6.389 35.151 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.662 -5.785 33.654 1.00 0.00 H new ATOM 1267 C THR A 81 4.303 -7.393 34.294 1.00 0.00 C ATOM 1268 CA THR A 81 3.134 -7.933 35.148 1.00 0.00 C ATOM 1269 CB THR A 81 3.600 -9.218 35.907 1.00 0.00 C ATOM 1270 CG2 THR A 81 4.459 -8.880 37.142 1.00 0.00 C ATOM 1278 N THR A 81 1.953 -8.214 34.307 1.00 0.00 N ATOM 1279 O THR A 81 5.123 -6.598 34.758 1.00 0.00 O ATOM 1280 OG1 THR A 81 2.457 -9.965 36.332 1.00 0.00 O ATOM 0 H THR A 81 1.722 -9.205 34.241 1.00 0.00 H new ATOM 0 HA THR A 81 2.843 -7.176 35.876 1.00 0.00 H new ATOM 0 HB THR A 81 4.209 -9.802 35.217 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.187 -9.670 37.227 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.761 -9.802 37.639 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.346 -8.330 36.829 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.878 -8.269 37.833 1.00 0.00 H new ATOM 1281 C LEU A 82 4.968 -6.283 31.221 1.00 0.00 C ATOM 1282 CA LEU A 82 5.429 -7.463 32.089 1.00 0.00 C ATOM 1283 CB LEU A 82 5.801 -8.675 31.185 1.00 0.00 C ATOM 1284 CD1 LEU A 82 6.469 -11.142 30.952 1.00 0.00 C ATOM 1285 CD2 LEU A 82 6.931 -9.934 33.117 1.00 0.00 C ATOM 1286 CG LEU A 82 5.987 -10.047 31.914 1.00 0.00 C ATOM 1298 N LEU A 82 4.365 -7.851 33.035 1.00 0.00 N ATOM 1299 O LEU A 82 5.798 -5.624 30.578 1.00 0.00 O ATOM 0 H LEU A 82 3.682 -8.499 32.642 1.00 0.00 H new ATOM 0 HA LEU A 82 6.308 -7.156 32.656 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.024 -8.791 30.430 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.725 -8.439 30.658 1.00 0.00 H new ATOM 0 HG LEU A 82 5.004 -10.335 32.287 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.586 -12.079 31.497 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.737 -11.274 30.155 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.427 -10.851 30.520 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.032 -10.909 33.593 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.910 -9.592 32.781 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.524 -9.220 33.833 1.00 0.00 H new ATOM 1300 C GLU A 83 3.298 -5.335 28.843 1.00 0.00 C ATOM 1301 CA GLU A 83 2.962 -5.061 30.325 1.00 0.00 C ATOM 1302 CB GLU A 83 3.320 -3.605 30.739 1.00 0.00 C ATOM 1303 CD GLU A 83 3.258 -1.821 32.582 1.00 0.00 C ATOM 1304 CG GLU A 83 2.909 -3.259 32.176 1.00 0.00 C ATOM 1311 N GLU A 83 3.633 -6.039 31.214 1.00 0.00 N ATOM 1312 O GLU A 83 3.288 -4.425 28.010 1.00 0.00 O ATOM 1313 OE1 GLU A 83 4.354 -1.598 33.139 1.00 0.00 O ATOM 1314 OE2 GLU A 83 2.435 -0.903 32.348 1.00 0.00 O ATOM 0 H GLU A 83 2.985 -6.524 31.835 1.00 0.00 H new ATOM 0 HA GLU A 83 1.884 -5.179 30.437 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.395 -3.459 30.632 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.834 -2.911 30.053 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.835 -3.408 32.284 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.398 -3.951 32.862 1.00 0.00 H new ATOM 1315 C GLU A 84 3.193 -8.115 26.565 1.00 0.00 C ATOM 1316 CA GLU A 84 4.086 -7.045 27.224 1.00 0.00 C ATOM 1317 CB GLU A 84 5.530 -7.587 27.442 1.00 0.00 C ATOM 1318 CD GLU A 84 6.477 -6.565 25.272 1.00 0.00 C ATOM 1319 CG GLU A 84 6.342 -7.812 26.154 1.00 0.00 C ATOM 1326 N GLU A 84 3.525 -6.621 28.519 1.00 0.00 N ATOM 1327 O GLU A 84 2.560 -8.914 27.255 1.00 0.00 O ATOM 1328 OE1 GLU A 84 7.307 -5.685 25.599 1.00 0.00 O ATOM 1329 OE2 GLU A 84 5.766 -6.464 24.245 1.00 0.00 O ATOM 0 H GLU A 84 3.324 -7.397 29.150 1.00 0.00 H new ATOM 0 HA GLU A 84 4.123 -6.188 26.552 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.072 -6.887 28.078 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.470 -8.530 27.985 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.338 -8.163 26.422 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.870 -8.605 25.574 1.00 0.00 H new ATOM 1330 C ASP A 85 3.177 -10.145 23.773 1.00 0.00 C ATOM 1331 CA ASP A 85 2.345 -9.006 24.388 1.00 0.00 C ATOM 1332 CB ASP A 85 1.662 -8.138 23.279 1.00 0.00 C ATOM 1333 CG ASP A 85 1.088 -8.939 22.074 1.00 0.00 C ATOM 1338 N ASP A 85 3.195 -8.130 25.224 1.00 0.00 N ATOM 1339 O ASP A 85 4.353 -9.958 23.469 1.00 0.00 O ATOM 1340 OD1 ASP A 85 -0.051 -9.448 22.155 1.00 0.00 O ATOM 1341 OD2 ASP A 85 1.778 -9.039 21.030 1.00 0.00 O ATOM 0 H ASP A 85 3.800 -7.521 24.673 1.00 0.00 H new ATOM 0 HA ASP A 85 1.574 -9.468 25.005 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.853 -7.566 23.734 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.389 -7.418 22.904 1.00 0.00 H new ATOM 1342 C VAL A 86 2.103 -12.674 21.647 1.00 0.00 C ATOM 1343 CA VAL A 86 3.114 -12.422 22.779 1.00 0.00 C ATOM 1344 CB VAL A 86 3.395 -13.770 23.565 1.00 0.00 C ATOM 1345 CG1 VAL A 86 4.059 -14.820 22.656 1.00 0.00 C ATOM 1346 CG2 VAL A 86 4.262 -13.540 24.814 1.00 0.00 C ATOM 1356 N VAL A 86 2.568 -11.336 23.626 1.00 0.00 N ATOM 1357 O VAL A 86 1.011 -13.211 21.891 1.00 0.00 O ATOM 0 H VAL A 86 1.690 -11.575 24.086 1.00 0.00 H new ATOM 0 HA VAL A 86 4.084 -12.101 22.400 1.00 0.00 H new ATOM 0 HB VAL A 86 2.425 -14.147 23.890 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.238 -15.732 23.225 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.402 -15.040 21.814 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.007 -14.432 22.284 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.429 -14.490 25.321 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.220 -13.113 24.518 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.752 -12.853 25.489 1.00 0.00 H new ATOM 1358 C SER A 87 1.366 -13.837 18.875 1.00 0.00 C ATOM 1359 CA SER A 87 1.593 -12.355 19.234 1.00 0.00 C ATOM 1360 CB SER A 87 2.224 -11.598 18.041 1.00 0.00 C ATOM 1366 N SER A 87 2.455 -12.227 20.423 1.00 0.00 N ATOM 1367 O SER A 87 2.321 -14.557 18.566 1.00 0.00 O ATOM 1368 OG SER A 87 2.421 -10.225 18.352 1.00 0.00 O ATOM 0 H SER A 87 3.346 -11.767 20.234 1.00 0.00 H new ATOM 0 HA SER A 87 0.623 -11.913 19.460 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.178 -12.055 17.780 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.578 -11.687 17.167 1.00 0.00 H new ATOM 0 HG SER A 87 2.100 -10.046 19.260 1.00 0.00 H new ATOM 1369 C LEU A 88 0.088 -16.124 17.249 1.00 0.00 C ATOM 1370 CA LEU A 88 -0.308 -15.675 18.656 1.00 0.00 C ATOM 1371 CB LEU A 88 -1.834 -15.843 18.787 1.00 0.00 C ATOM 1372 CD1 LEU A 88 -1.833 -18.052 20.012 1.00 0.00 C ATOM 1373 CD2 LEU A 88 -3.890 -17.360 18.635 1.00 0.00 C ATOM 1374 CG LEU A 88 -2.346 -17.306 18.764 1.00 0.00 C ATOM 1386 N LEU A 88 0.090 -14.276 18.927 1.00 0.00 N ATOM 1387 O LEU A 88 0.651 -17.200 17.060 1.00 0.00 O ATOM 0 H LEU A 88 -0.696 -13.668 19.159 1.00 0.00 H new ATOM 0 HA LEU A 88 0.214 -16.287 19.391 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.155 -15.378 19.719 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.314 -15.295 17.976 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.950 -17.811 17.883 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.194 -19.081 19.995 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.743 -18.050 20.015 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.199 -17.554 20.910 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.218 -18.399 18.622 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.344 -16.847 19.483 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.195 -16.871 17.710 1.00 0.00 H new ATOM 1388 C ILE A 89 1.509 -15.621 14.601 1.00 0.00 C ATOM 1389 CA ILE A 89 -0.004 -15.540 14.853 1.00 0.00 C ATOM 1390 CB ILE A 89 -0.675 -14.441 13.957 1.00 0.00 C ATOM 1391 CD1 ILE A 89 -3.028 -15.551 14.130 1.00 0.00 C ATOM 1392 CG1 ILE A 89 -2.193 -14.295 14.313 1.00 0.00 C ATOM 1393 CG2 ILE A 89 -0.480 -14.735 12.450 1.00 0.00 C ATOM 1405 N ILE A 89 -0.252 -15.278 16.274 1.00 0.00 N ATOM 1406 O ILE A 89 1.968 -16.461 13.830 1.00 0.00 O ATOM 0 H ILE A 89 -0.711 -14.384 16.449 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.453 -16.496 14.582 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.180 -13.492 14.165 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.276 -13.972 15.351 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.619 -13.503 13.697 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.959 -13.952 11.862 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.585 -14.763 12.219 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.929 -15.698 12.206 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.063 -15.343 14.403 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.985 -15.868 13.088 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.637 -16.344 14.767 1.00 0.00 H new ATOM 1407 C GLY A 90 4.222 -16.238 15.810 1.00 0.00 C ATOM 1408 CA GLY A 90 3.717 -14.858 15.369 1.00 0.00 C ATOM 1412 N GLY A 90 2.261 -14.788 15.342 1.00 0.00 N ATOM 1413 O GLY A 90 5.112 -16.789 15.186 1.00 0.00 O ATOM 0 H GLY A 90 1.871 -14.054 15.933 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.109 -14.629 14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.103 -14.098 16.048 1.00 0.00 H new ATOM 1414 C LEU A 91 3.638 -19.253 16.313 1.00 0.00 C ATOM 1415 CA LEU A 91 3.935 -18.166 17.368 1.00 0.00 C ATOM 1416 CB LEU A 91 3.144 -18.465 18.668 1.00 0.00 C ATOM 1417 CD1 LEU A 91 2.565 -17.906 21.093 1.00 0.00 C ATOM 1418 CD2 LEU A 91 4.921 -17.459 20.201 1.00 0.00 C ATOM 1419 CG LEU A 91 3.415 -17.512 19.867 1.00 0.00 C ATOM 1431 N LEU A 91 3.588 -16.816 16.852 1.00 0.00 N ATOM 1432 O LEU A 91 4.399 -20.221 16.160 1.00 0.00 O ATOM 0 H LEU A 91 2.825 -16.367 17.359 1.00 0.00 H new ATOM 0 HA LEU A 91 5.003 -18.179 17.587 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.079 -18.432 18.437 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.371 -19.484 18.981 1.00 0.00 H new ATOM 0 HG LEU A 91 3.113 -16.506 19.577 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.775 -17.223 21.916 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.507 -17.850 20.836 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.811 -18.924 21.395 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.084 -16.786 21.043 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.271 -18.458 20.462 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.473 -17.096 19.334 1.00 0.00 H new ATOM 1433 C LEU A 92 3.015 -19.773 13.229 1.00 0.00 C ATOM 1434 CA LEU A 92 2.100 -19.935 14.472 1.00 0.00 C ATOM 1435 CB LEU A 92 0.620 -19.620 14.122 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -1.801 -19.250 14.898 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -0.463 -21.239 15.794 1.00 0.00 C ATOM 1438 CG LEU A 92 -0.403 -19.776 15.295 1.00 0.00 C ATOM 1450 N LEU A 92 2.533 -19.050 15.574 1.00 0.00 N ATOM 1451 O LEU A 92 2.997 -20.610 12.319 1.00 0.00 O ATOM 0 H LEU A 92 1.907 -18.259 15.725 1.00 0.00 H new ATOM 0 HA LEU A 92 2.181 -20.973 14.794 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.564 -18.597 13.749 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.312 -20.274 13.306 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.052 -19.163 16.125 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.488 -19.373 15.736 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.732 -18.194 14.638 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.171 -19.811 14.040 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.182 -21.316 16.609 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.771 -21.890 14.976 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.522 -21.543 16.149 1.00 0.00 H new ATOM 1452 C GLU A 93 6.244 -18.768 12.654 1.00 0.00 C ATOM 1453 CA GLU A 93 4.820 -18.416 12.156 1.00 0.00 C ATOM 1454 CB GLU A 93 4.744 -16.924 11.730 1.00 0.00 C ATOM 1455 CD GLU A 93 3.330 -15.013 10.761 1.00 0.00 C ATOM 1456 CG GLU A 93 3.416 -16.519 11.064 1.00 0.00 C ATOM 1463 N GLU A 93 3.800 -18.680 13.198 1.00 0.00 N ATOM 1464 O GLU A 93 7.194 -18.773 11.867 1.00 0.00 O ATOM 1465 OE1 GLU A 93 2.962 -14.226 11.666 1.00 0.00 O ATOM 1466 OE2 GLU A 93 3.645 -14.603 9.621 1.00 0.00 O ATOM 0 H GLU A 93 3.746 -17.944 13.902 1.00 0.00 H new ATOM 0 HA GLU A 93 4.611 -19.052 11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.901 -16.299 12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.561 -16.714 11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.296 -17.078 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.589 -16.801 11.715 1.00 0.00 H new ATOM 1467 C GLY A 94 8.473 -18.158 15.017 1.00 0.00 C ATOM 1468 CA GLY A 94 7.687 -19.394 14.567 1.00 0.00 C ATOM 1472 N GLY A 94 6.381 -19.067 13.962 1.00 0.00 N ATOM 1473 O GLY A 94 9.657 -18.241 15.344 1.00 0.00 O ATOM 0 H GLY A 94 5.602 -19.089 14.620 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.529 -20.048 15.425 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.284 -19.953 13.846 1.00 0.00 H new ATOM 1474 C ARG A 95 7.842 -15.499 16.929 1.00 0.00 C ATOM 1475 CA ARG A 95 8.357 -15.726 15.492 1.00 0.00 C ATOM 1476 CB ARG A 95 7.979 -14.531 14.555 1.00 0.00 C ATOM 1477 CD ARG A 95 8.761 -15.638 12.341 1.00 0.00 C ATOM 1478 CG ARG A 95 8.835 -14.404 13.266 1.00 0.00 C ATOM 1479 CZ ARG A 95 9.576 -16.317 10.074 1.00 0.00 C ATOM 1493 N ARG A 95 7.819 -16.993 14.975 1.00 0.00 N ATOM 1494 NE ARG A 95 9.485 -15.430 11.077 1.00 0.00 N ATOM 1495 NH1 ARG A 95 9.027 -17.524 10.170 1.00 0.00 N ATOM 1496 NH2 ARG A 95 10.227 -15.984 8.972 1.00 0.00 N ATOM 1497 O ARG A 95 6.788 -14.891 17.141 1.00 0.00 O ATOM 0 H ARG A 95 6.885 -16.900 14.575 1.00 0.00 H new ATOM 0 HA ARG A 95 9.445 -15.783 15.514 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.932 -14.632 14.268 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.066 -13.604 15.122 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.508 -13.525 12.710 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.874 -14.235 13.547 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.177 -16.503 12.858 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.717 -15.867 12.126 1.00 0.00 H new ATOM 0 HE ARG A 95 9.958 -14.535 10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.525 -17.790 11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.107 -18.184 9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.654 -15.061 8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.303 -16.650 8.203 1.00 0.00 H new ATOM 1498 C ARG A 96 8.543 -14.344 19.719 1.00 0.00 C ATOM 1499 CA ARG A 96 8.374 -15.842 19.348 1.00 0.00 C ATOM 1500 CB ARG A 96 9.391 -16.720 20.112 1.00 0.00 C ATOM 1501 CD ARG A 96 11.660 -17.745 19.449 1.00 0.00 C ATOM 1502 CG ARG A 96 10.880 -16.461 19.746 1.00 0.00 C ATOM 1503 CZ ARG A 96 10.827 -19.710 18.105 1.00 0.00 C ATOM 1517 N ARG A 96 8.582 -16.060 17.894 1.00 0.00 N ATOM 1518 NE ARG A 96 11.212 -18.422 18.205 1.00 0.00 N ATOM 1519 NH1 ARG A 96 10.729 -20.482 19.176 1.00 0.00 N ATOM 1520 NH2 ARG A 96 10.559 -20.227 16.920 1.00 0.00 N ATOM 1521 O ARG A 96 7.909 -13.828 20.651 1.00 0.00 O ATOM 0 H ARG A 96 9.358 -16.691 17.692 1.00 0.00 H new ATOM 0 HA ARG A 96 7.357 -16.122 19.624 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.260 -16.556 21.182 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.161 -17.768 19.920 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.925 -15.807 18.875 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.363 -15.932 20.568 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.721 -17.508 19.365 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.552 -18.432 20.289 1.00 0.00 H new ATOM 0 HE ARG A 96 11.194 -17.863 17.352 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.947 -20.105 20.098 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.436 -21.454 19.079 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.643 -19.652 16.082 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.268 -21.201 16.843 1.00 0.00 H new ATOM 1522 C GLY A 97 9.815 -11.870 17.450 1.00 0.00 C ATOM 1523 CA GLY A 97 9.587 -12.247 18.902 1.00 0.00 C ATOM 1527 N GLY A 97 9.454 -13.697 18.986 1.00 0.00 N ATOM 1528 O GLY A 97 9.838 -12.755 16.583 1.00 0.00 O ATOM 0 H GLY A 97 10.142 -14.190 18.416 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.689 -11.761 19.283 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.420 -11.906 19.517 1.00 0.00 H new ATOM 1529 C SER A 98 11.589 -10.662 15.260 1.00 0.00 C ATOM 1530 CA SER A 98 10.247 -10.104 15.793 1.00 0.00 C ATOM 1531 CB SER A 98 10.238 -8.559 15.756 1.00 0.00 C ATOM 1537 N SER A 98 9.998 -10.579 17.169 1.00 0.00 N ATOM 1538 O SER A 98 12.463 -11.061 16.049 1.00 0.00 O ATOM 1539 OG SER A 98 11.207 -8.014 16.637 1.00 0.00 O ATOM 0 H SER A 98 9.980 -9.839 17.870 1.00 0.00 H new ATOM 0 HA SER A 98 9.450 -10.469 15.145 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.435 -8.217 14.740 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.249 -8.193 16.030 1.00 0.00 H new ATOM 0 HG SER A 98 11.178 -7.036 16.590 1.00 0.00 H new ATOM 1540 C ALA A 99 14.192 -10.269 13.707 1.00 0.00 C ATOM 1541 CA ALA A 99 12.995 -11.129 13.248 1.00 0.00 C ATOM 1542 CB ALA A 99 12.830 -11.053 11.718 1.00 0.00 C ATOM 1548 N ALA A 99 11.746 -10.684 13.918 1.00 0.00 N ATOM 1549 O ALA A 99 15.315 -10.770 13.885 1.00 0.00 O ATOM 0 H ALA A 99 11.015 -10.395 13.268 1.00 0.00 H new ATOM 0 HA ALA A 99 13.192 -12.164 13.528 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.751 -11.381 11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.008 -11.699 11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.614 -10.025 11.426 1.00 0.00 H new ATOM 1550 C LYS A 100 15.294 -8.353 15.864 1.00 0.00 C ATOM 1551 CA LYS A 100 14.869 -7.985 14.420 1.00 0.00 C ATOM 1552 CB LYS A 100 14.254 -6.542 14.344 1.00 0.00 C ATOM 1553 CD LYS A 100 16.408 -5.282 15.072 1.00 0.00 C ATOM 1554 CE LYS A 100 17.383 -4.140 14.765 1.00 0.00 C ATOM 1555 CG LYS A 100 15.265 -5.399 14.039 1.00 0.00 C ATOM 1569 N LYS A 100 13.903 -8.973 13.922 1.00 0.00 N ATOM 1570 NZ LYS A 100 16.703 -2.821 14.742 1.00 0.00 N ATOM 1571 O LYS A 100 16.491 -8.369 16.176 1.00 0.00 O ATOM 0 H LYS A 100 12.977 -8.580 13.751 1.00 0.00 H new ATOM 0 HA LYS A 100 15.761 -7.995 13.793 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.481 -6.535 13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.762 -6.325 15.292 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.696 -5.563 13.051 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.727 -4.452 13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 100 15.980 -5.129 16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.958 -6.222 15.104 1.00 0.00 H new ATOM 0 HE2 LYS A 100 18.174 -4.127 15.515 1.00 0.00 H new ATOM 0 HE3 LYS A 100 17.860 -4.319 13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.415 -2.064 14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.087 -2.763 13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.130 -2.711 15.603 1.00 0.00 H new ATOM 1572 C TRP A 101 15.444 -10.283 18.242 1.00 0.00 C ATOM 1573 CA TRP A 101 14.515 -9.058 18.131 1.00 0.00 C ATOM 1574 CB TRP A 101 13.166 -9.346 18.862 1.00 0.00 C ATOM 1575 CD1 TRP A 101 13.576 -8.998 21.384 1.00 0.00 C ATOM 1576 CD2 TRP A 101 13.371 -11.146 20.788 1.00 0.00 C ATOM 1577 CE2 TRP A 101 13.592 -11.085 22.166 1.00 0.00 C ATOM 1578 CE3 TRP A 101 13.210 -12.393 20.186 1.00 0.00 C ATOM 1579 CG TRP A 101 13.351 -9.795 20.297 1.00 0.00 C ATOM 1580 CH2 TRP A 101 13.525 -13.438 22.337 1.00 0.00 C ATOM 1581 CZ2 TRP A 101 13.685 -12.225 22.949 1.00 0.00 C ATOM 1582 CZ3 TRP A 101 13.285 -13.527 20.966 1.00 0.00 C ATOM 1593 N TRP A 101 14.290 -8.683 16.715 1.00 0.00 N ATOM 1594 NE1 TRP A 101 13.709 -9.768 22.504 1.00 0.00 N ATOM 1595 O TRP A 101 16.404 -10.267 19.011 1.00 0.00 O ATOM 0 H TRP A 101 13.308 -8.696 16.440 1.00 0.00 H new ATOM 0 HA TRP A 101 14.998 -8.210 18.616 1.00 0.00 H new ATOM 0 HB2 TRP A 101 12.552 -8.446 18.846 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.620 -10.114 18.315 1.00 0.00 H new ATOM 0 HD1 TRP A 101 13.639 -7.920 21.361 1.00 0.00 H new ATOM 0 HE1 TRP A 101 13.871 -9.414 23.447 1.00 0.00 H new ATOM 0 HE3 TRP A 101 13.029 -12.469 19.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 13.878 -12.158 24.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 13.156 -14.497 20.509 1.00 0.00 H new ATOM 0 HH2 TRP A 101 13.586 -14.342 22.925 1.00 0.00 H new ATOM 1596 C MET A 102 17.345 -12.345 16.928 1.00 0.00 C ATOM 1597 CA MET A 102 15.914 -12.589 17.455 1.00 0.00 C ATOM 1598 CB MET A 102 15.178 -13.686 16.620 1.00 0.00 C ATOM 1599 CE MET A 102 12.496 -14.629 14.847 1.00 0.00 C ATOM 1600 CG MET A 102 13.872 -14.202 17.258 1.00 0.00 C ATOM 1610 N MET A 102 15.131 -11.335 17.465 1.00 0.00 N ATOM 1611 O MET A 102 18.290 -13.033 17.329 1.00 0.00 O ATOM 1612 SD MET A 102 13.049 -15.505 16.309 1.00 0.00 S ATOM 0 H MET A 102 14.334 -11.343 16.829 1.00 0.00 H new ATOM 0 HA MET A 102 16.001 -12.948 18.480 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.952 -13.283 15.633 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.854 -14.528 16.473 1.00 0.00 H new ATOM 0 HG2 MET A 102 14.093 -14.579 18.257 1.00 0.00 H new ATOM 0 HG3 MET A 102 13.184 -13.365 17.378 1.00 0.00 H new ATOM 0 HE1 MET A 102 11.827 -15.269 14.271 1.00 0.00 H new ATOM 0 HE2 MET A 102 11.966 -13.724 15.144 1.00 0.00 H new ATOM 0 HE3 MET A 102 13.358 -14.361 14.236 1.00 0.00 H new