USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 29 GLN : amide:sc= 2.19 K(o=4.5,f=2.3) USER MOD Set 1.2: A 51 TYR OH : rot -80:sc= 1.24 USER MOD Set 1.3: A 92 GLN : amide:sc= 1.07 K(o=4.5,f=2.3) USER MOD Set 2.1: A 41 THR OG1 : rot -55:sc= 2.05 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -169:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 32 SER OG : rot 177:sc= 1.32 USER MOD Set 3.2: A 55 GLN : amide:sc= 1.02 K(o=2.3,f=-1.3) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 1.29 (180deg=1.17) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.0684 F(o=-0.65,f=-0.068) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -106:sc= -0.216 (180deg=-0.489) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 43 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.49) USER MOD Single : A 45 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 48 LYS NZ :NH3+ -136:sc= 1.82 (180deg=0.136) USER MOD Single : A 50 SER OG : rot -89:sc= 1.24 USER MOD Single : A 52 CYS SG : rot 72:sc= 0.257 USER MOD Single : A 53 GLN : amide:sc= 0.0038 X(o=0.0038,f=-0.12) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 1.11 K(o=1.1,f=-0.19) USER MOD Single : A 74 ASN : amide:sc= 0.573 K(o=0.57,f=-3.3!) USER MOD Single : A 75 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-1.5) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -95:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 78.845 10.153 -12.146 1.00 0.00 N ATOM 291 CA TYR A 21 78.700 8.700 -12.039 1.00 0.00 C ATOM 292 C TYR A 21 77.502 8.335 -11.158 1.00 0.00 C ATOM 293 O TYR A 21 77.142 9.078 -10.244 1.00 0.00 O ATOM 294 CB TYR A 21 79.985 8.054 -11.486 1.00 0.00 C ATOM 295 CG TYR A 21 80.692 8.863 -10.417 1.00 0.00 C ATOM 296 CD1 TYR A 21 80.120 9.052 -9.163 1.00 0.00 C ATOM 297 CD2 TYR A 21 81.934 9.429 -10.661 1.00 0.00 C ATOM 298 CE1 TYR A 21 80.766 9.785 -8.188 1.00 0.00 C ATOM 299 CE2 TYR A 21 82.587 10.163 -9.691 1.00 0.00 C ATOM 300 CZ TYR A 21 81.999 10.339 -8.458 1.00 0.00 C ATOM 301 OH TYR A 21 82.644 11.074 -7.492 1.00 0.00 O ATOM 0 HA TYR A 21 78.525 8.310 -13.042 1.00 0.00 H new ATOM 0 HB2 TYR A 21 79.736 7.075 -11.076 1.00 0.00 H new ATOM 0 HB3 TYR A 21 80.676 7.887 -12.312 1.00 0.00 H new ATOM 0 HD1 TYR A 21 79.155 8.618 -8.949 1.00 0.00 H new ATOM 0 HD2 TYR A 21 82.399 9.293 -11.626 1.00 0.00 H new ATOM 0 HE1 TYR A 21 80.308 9.924 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 21 83.554 10.597 -9.898 1.00 0.00 H new ATOM 0 HH TYR A 21 83.502 11.393 -7.842 1.00 0.00 H new ATOM 311 N ILE A 22 76.883 7.192 -11.440 1.00 0.00 N ATOM 312 CA ILE A 22 75.733 6.736 -10.664 1.00 0.00 C ATOM 313 C ILE A 22 76.163 5.747 -9.579 1.00 0.00 C ATOM 314 O ILE A 22 76.847 4.759 -9.855 1.00 0.00 O ATOM 315 CB ILE A 22 74.651 6.078 -11.552 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.271 5.447 -12.803 1.00 0.00 C ATOM 317 CG2 ILE A 22 73.597 7.105 -11.944 1.00 0.00 C ATOM 318 CD1 ILE A 22 74.434 4.337 -13.405 1.00 0.00 C ATOM 0 H ILE A 22 77.157 6.566 -12.197 1.00 0.00 H new ATOM 0 HA ILE A 22 75.302 7.624 -10.201 1.00 0.00 H new ATOM 0 HB ILE A 22 74.176 5.284 -10.976 1.00 0.00 H new ATOM 0 HG12 ILE A 22 75.423 6.223 -13.553 1.00 0.00 H new ATOM 0 HG13 ILE A 22 76.255 5.052 -12.550 1.00 0.00 H new ATOM 0 HG21 ILE A 22 72.841 6.630 -12.569 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.127 7.505 -11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 22 74.068 7.917 -12.498 1.00 0.00 H new ATOM 0 HD11 ILE A 22 74.937 3.939 -14.286 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.303 3.541 -12.672 1.00 0.00 H new ATOM 0 HD13 ILE A 22 73.459 4.731 -13.691 1.00 0.00 H new ATOM 330 N LYS A 23 75.764 6.026 -8.342 1.00 0.00 N ATOM 331 CA LYS A 23 76.106 5.163 -7.211 1.00 0.00 C ATOM 332 C LYS A 23 75.094 4.025 -7.065 1.00 0.00 C ATOM 333 O LYS A 23 74.050 4.183 -6.428 1.00 0.00 O ATOM 334 CB LYS A 23 76.166 5.980 -5.914 1.00 0.00 C ATOM 335 CG LYS A 23 76.643 7.412 -6.107 1.00 0.00 C ATOM 336 CD LYS A 23 77.061 8.042 -4.786 1.00 0.00 C ATOM 337 CE LYS A 23 76.447 9.422 -4.610 1.00 0.00 C ATOM 338 NZ LYS A 23 77.052 10.156 -3.463 1.00 0.00 N ATOM 0 H LYS A 23 75.204 6.842 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 23 77.087 4.729 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 23 75.175 5.996 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.831 5.478 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 23 77.484 7.426 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 23 75.847 8.004 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.755 7.398 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 23 78.148 8.118 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 23 76.584 10.000 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 23 75.373 9.324 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 76.607 11.092 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 76.899 9.617 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 78.073 10.272 -3.625 1.00 0.00 H new ATOM 352 N LEU A 24 75.420 2.875 -7.646 1.00 0.00 N ATOM 353 CA LEU A 24 74.540 1.708 -7.595 1.00 0.00 C ATOM 354 C LEU A 24 74.675 0.964 -6.269 1.00 0.00 C ATOM 355 O LEU A 24 75.782 0.761 -5.768 1.00 0.00 O ATOM 356 CB LEU A 24 74.846 0.756 -8.757 1.00 0.00 C ATOM 357 CG LEU A 24 75.013 1.418 -10.128 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.181 0.365 -11.211 1.00 0.00 C ATOM 359 CD2 LEU A 24 73.825 2.315 -10.439 1.00 0.00 C ATOM 0 H LEU A 24 76.288 2.724 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 24 73.514 2.066 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.759 0.209 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.043 0.022 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 24 75.911 2.035 -10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.298 0.853 -12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 24 76.064 -0.237 -10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 24 74.301 -0.278 -11.233 1.00 0.00 H new ATOM 0 HD21 LEU A 24 73.963 2.776 -11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 24 72.912 1.720 -10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 24 73.748 3.093 -9.679 1.00 0.00 H new ATOM 371 N LYS A 25 73.543 0.562 -5.704 1.00 0.00 N ATOM 372 CA LYS A 25 73.535 -0.159 -4.438 1.00 0.00 C ATOM 373 C LYS A 25 73.035 -1.591 -4.616 1.00 0.00 C ATOM 374 O LYS A 25 71.915 -1.822 -5.067 1.00 0.00 O ATOM 375 CB LYS A 25 72.671 0.578 -3.410 1.00 0.00 C ATOM 376 CG LYS A 25 73.195 0.472 -1.986 1.00 0.00 C ATOM 377 CD LYS A 25 72.192 1.019 -0.982 1.00 0.00 C ATOM 378 CE LYS A 25 72.885 1.754 0.154 1.00 0.00 C ATOM 379 NZ LYS A 25 72.000 1.903 1.342 1.00 0.00 N ATOM 0 H LYS A 25 72.618 0.723 -6.103 1.00 0.00 H new ATOM 0 HA LYS A 25 74.561 -0.203 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.609 1.630 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.658 0.178 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.413 -0.570 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.133 1.020 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 25 71.502 1.695 -1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.597 0.200 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 25 73.787 1.213 0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 25 73.200 2.739 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 72.409 2.602 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 71.059 2.224 1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.912 0.987 1.827 1.00 0.00 H new ATOM 393 N VAL A 26 73.885 -2.550 -4.271 1.00 0.00 N ATOM 394 CA VAL A 26 73.542 -3.967 -4.385 1.00 0.00 C ATOM 395 C VAL A 26 73.434 -4.610 -3.000 1.00 0.00 C ATOM 396 O VAL A 26 74.266 -4.361 -2.128 1.00 0.00 O ATOM 397 CB VAL A 26 74.587 -4.740 -5.226 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.096 -6.145 -5.542 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.912 -3.990 -6.509 1.00 0.00 C ATOM 0 H VAL A 26 74.822 -2.374 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 26 72.578 -4.024 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 26 75.499 -4.820 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.847 -6.668 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 26 73.923 -6.688 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.165 -6.087 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.648 -4.553 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.004 -3.871 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.317 -3.008 -6.264 1.00 0.00 H new ATOM 409 N ILE A 27 72.405 -5.433 -2.806 1.00 0.00 N ATOM 410 CA ILE A 27 72.198 -6.108 -1.523 1.00 0.00 C ATOM 411 C ILE A 27 72.650 -7.567 -1.596 1.00 0.00 C ATOM 412 O ILE A 27 72.110 -8.357 -2.374 1.00 0.00 O ATOM 413 CB ILE A 27 70.717 -6.063 -1.070 1.00 0.00 C ATOM 414 CG1 ILE A 27 70.152 -4.641 -1.147 1.00 0.00 C ATOM 415 CG2 ILE A 27 70.579 -6.605 0.346 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.922 -4.530 -2.023 1.00 0.00 C ATOM 0 H ILE A 27 71.705 -5.649 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 27 72.800 -5.570 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 27 70.142 -6.692 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 27 69.905 -4.301 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.923 -3.972 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 27 69.533 -6.567 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.928 -7.637 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 27 71.177 -6.000 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.574 -3.497 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 27 69.169 -4.839 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 27 68.136 -5.174 -1.629 1.00 0.00 H new ATOM 428 N GLY A 28 73.646 -7.915 -0.783 1.00 0.00 N ATOM 429 CA GLY A 28 74.164 -9.275 -0.765 1.00 0.00 C ATOM 430 C GLY A 28 73.282 -10.252 -0.001 1.00 0.00 C ATOM 431 O GLY A 28 72.262 -9.867 0.575 1.00 0.00 O ATOM 0 H GLY A 28 74.105 -7.277 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 28 74.277 -9.626 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 28 75.158 -9.270 -0.319 1.00 0.00 H new ATOM 435 N GLN A 29 73.696 -11.519 0.025 1.00 0.00 N ATOM 436 CA GLN A 29 72.944 -12.581 0.709 1.00 0.00 C ATOM 437 C GLN A 29 72.808 -12.319 2.213 1.00 0.00 C ATOM 438 O GLN A 29 71.795 -12.665 2.821 1.00 0.00 O ATOM 439 CB GLN A 29 73.614 -13.944 0.490 1.00 0.00 C ATOM 440 CG GLN A 29 74.392 -14.058 -0.814 1.00 0.00 C ATOM 441 CD GLN A 29 75.893 -13.982 -0.606 1.00 0.00 C ATOM 442 OE1 GLN A 29 76.535 -13.003 -0.982 1.00 0.00 O ATOM 443 NE2 GLN A 29 76.464 -15.010 -0.001 1.00 0.00 N ATOM 0 H GLN A 29 74.554 -11.840 -0.422 1.00 0.00 H new ATOM 0 HA GLN A 29 71.944 -12.587 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 29 74.291 -14.141 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 29 72.848 -14.720 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 29 74.143 -15.002 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 29 74.082 -13.260 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 29 75.898 -15.805 0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 29 77.470 -15.008 0.168 1.00 0.00 H new ATOM 452 N ASP A 30 73.830 -11.711 2.809 1.00 0.00 N ATOM 453 CA ASP A 30 73.818 -11.416 4.243 1.00 0.00 C ATOM 454 C ASP A 30 73.311 -9.995 4.524 1.00 0.00 C ATOM 455 O ASP A 30 73.670 -9.396 5.541 1.00 0.00 O ATOM 456 CB ASP A 30 75.223 -11.598 4.824 1.00 0.00 C ATOM 457 CG ASP A 30 75.202 -12.212 6.211 1.00 0.00 C ATOM 458 OD1 ASP A 30 74.227 -12.927 6.531 1.00 0.00 O ATOM 459 OD2 ASP A 30 76.164 -11.985 6.976 1.00 0.00 O ATOM 0 H ASP A 30 74.676 -11.413 2.324 1.00 0.00 H new ATOM 0 HA ASP A 30 73.132 -12.114 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.809 -12.232 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.724 -10.631 4.866 1.00 0.00 H new ATOM 464 N SER A 31 72.485 -9.467 3.615 1.00 0.00 N ATOM 465 CA SER A 31 71.918 -8.114 3.742 1.00 0.00 C ATOM 466 C SER A 31 73.009 -7.043 3.702 1.00 0.00 C ATOM 467 O SER A 31 72.864 -5.964 4.280 1.00 0.00 O ATOM 468 CB SER A 31 71.097 -7.981 5.033 1.00 0.00 C ATOM 469 OG SER A 31 69.709 -7.934 4.753 1.00 0.00 O ATOM 0 H SER A 31 72.190 -9.960 2.773 1.00 0.00 H new ATOM 0 HA SER A 31 71.257 -7.959 2.889 1.00 0.00 H new ATOM 0 HB2 SER A 31 71.310 -8.823 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 31 71.394 -7.077 5.565 1.00 0.00 H new ATOM 0 HG SER A 31 69.209 -7.851 5.592 1.00 0.00 H new ATOM 475 N SER A 32 74.100 -7.348 3.007 1.00 0.00 N ATOM 476 CA SER A 32 75.223 -6.423 2.879 1.00 0.00 C ATOM 477 C SER A 32 74.992 -5.440 1.735 1.00 0.00 C ATOM 478 O SER A 32 74.922 -5.834 0.572 1.00 0.00 O ATOM 479 CB SER A 32 76.517 -7.203 2.641 1.00 0.00 C ATOM 480 OG SER A 32 76.242 -8.546 2.272 1.00 0.00 O ATOM 0 H SER A 32 74.231 -8.235 2.520 1.00 0.00 H new ATOM 0 HA SER A 32 75.307 -5.857 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 32 77.099 -6.719 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 32 77.126 -7.188 3.545 1.00 0.00 H new ATOM 0 HG SER A 32 77.083 -9.011 2.078 1.00 0.00 H new ATOM 486 N GLU A 33 74.872 -4.159 2.072 1.00 0.00 N ATOM 487 CA GLU A 33 74.645 -3.120 1.069 1.00 0.00 C ATOM 488 C GLU A 33 75.963 -2.518 0.584 1.00 0.00 C ATOM 489 O GLU A 33 76.640 -1.803 1.322 1.00 0.00 O ATOM 490 CB GLU A 33 73.748 -2.014 1.638 1.00 0.00 C ATOM 491 CG GLU A 33 72.556 -2.533 2.431 1.00 0.00 C ATOM 492 CD GLU A 33 71.269 -1.802 2.101 1.00 0.00 C ATOM 493 OE1 GLU A 33 71.246 -0.554 2.214 1.00 0.00 O ATOM 494 OE2 GLU A 33 70.282 -2.472 1.730 1.00 0.00 O ATOM 0 H GLU A 33 74.928 -3.815 3.030 1.00 0.00 H new ATOM 0 HA GLU A 33 74.147 -3.585 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.347 -1.369 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 33 73.384 -1.396 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.427 -3.596 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.763 -2.433 3.497 1.00 0.00 H new ATOM 501 N ILE A 34 76.326 -2.813 -0.662 1.00 0.00 N ATOM 502 CA ILE A 34 77.566 -2.293 -1.239 1.00 0.00 C ATOM 503 C ILE A 34 77.278 -1.206 -2.278 1.00 0.00 C ATOM 504 O ILE A 34 76.425 -1.374 -3.151 1.00 0.00 O ATOM 505 CB ILE A 34 78.407 -3.414 -1.894 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.399 -4.672 -1.015 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.834 -2.936 -2.134 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.215 -5.817 -1.578 1.00 0.00 C ATOM 0 H ILE A 34 75.783 -3.406 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 34 78.138 -1.863 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 34 77.962 -3.665 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 34 78.783 -4.416 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.369 -5.004 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.413 -3.736 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.821 -2.070 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.290 -2.660 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.161 -6.670 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.819 -6.101 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 34 80.254 -5.505 -1.686 1.00 0.00 H new ATOM 520 N HIS A 35 77.996 -0.088 -2.172 1.00 0.00 N ATOM 521 CA HIS A 35 77.819 1.033 -3.094 1.00 0.00 C ATOM 522 C HIS A 35 78.928 1.075 -4.145 1.00 0.00 C ATOM 523 O HIS A 35 80.108 1.195 -3.816 1.00 0.00 O ATOM 524 CB HIS A 35 77.784 2.354 -2.319 1.00 0.00 C ATOM 525 CG HIS A 35 76.528 3.145 -2.536 1.00 0.00 C ATOM 526 ND1 HIS A 35 75.653 3.153 -3.568 1.00 0.00 N flip ATOM 527 CD2 HIS A 35 76.049 4.065 -1.629 1.00 0.00 C flip ATOM 528 CE1 HIS A 35 74.671 4.068 -3.267 1.00 0.00 C flip ATOM 529 NE2 HIS A 35 74.934 4.602 -2.090 1.00 0.00 N flip ATOM 0 H HIS A 35 78.706 0.065 -1.456 1.00 0.00 H new ATOM 0 HA HIS A 35 76.870 0.891 -3.611 1.00 0.00 H new ATOM 0 HB2 HIS A 35 77.892 2.144 -1.255 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.641 2.961 -2.613 1.00 0.00 H new ATOM 0 HD1 HIS A 35 75.711 2.585 -4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 35 76.514 4.310 -0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 35 73.824 4.309 -3.892 1.00 0.00 H new ATOM 537 N PHE A 36 78.537 0.984 -5.414 1.00 0.00 N ATOM 538 CA PHE A 36 79.493 1.015 -6.519 1.00 0.00 C ATOM 539 C PHE A 36 79.242 2.217 -7.432 1.00 0.00 C ATOM 540 O PHE A 36 78.160 2.362 -8.001 1.00 0.00 O ATOM 541 CB PHE A 36 79.410 -0.282 -7.328 1.00 0.00 C ATOM 542 CG PHE A 36 80.742 -0.764 -7.829 1.00 0.00 C ATOM 543 CD1 PHE A 36 81.659 -1.333 -6.958 1.00 0.00 C ATOM 544 CD2 PHE A 36 81.078 -0.645 -9.167 1.00 0.00 C ATOM 545 CE1 PHE A 36 82.886 -1.776 -7.416 1.00 0.00 C ATOM 546 CE2 PHE A 36 82.304 -1.087 -9.630 1.00 0.00 C ATOM 547 CZ PHE A 36 83.209 -1.653 -8.753 1.00 0.00 C ATOM 0 H PHE A 36 77.564 0.888 -5.703 1.00 0.00 H new ATOM 0 HA PHE A 36 80.493 1.110 -6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.961 -1.059 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.745 -0.128 -8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.412 -1.431 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 36 80.375 -0.202 -9.857 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.592 -2.218 -6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 36 82.554 -0.990 -10.676 1.00 0.00 H new ATOM 0 HZ PHE A 36 84.167 -1.999 -9.112 1.00 0.00 H new ATOM 557 N LYS A 37 80.248 3.076 -7.568 1.00 0.00 N ATOM 558 CA LYS A 37 80.133 4.265 -8.411 1.00 0.00 C ATOM 559 C LYS A 37 80.656 3.994 -9.823 1.00 0.00 C ATOM 560 O LYS A 37 81.857 3.808 -10.026 1.00 0.00 O ATOM 561 CB LYS A 37 80.900 5.435 -7.787 1.00 0.00 C ATOM 562 CG LYS A 37 80.353 5.873 -6.438 1.00 0.00 C ATOM 563 CD LYS A 37 81.383 6.670 -5.653 1.00 0.00 C ATOM 564 CE LYS A 37 80.984 6.809 -4.190 1.00 0.00 C ATOM 565 NZ LYS A 37 82.148 7.153 -3.329 1.00 0.00 N ATOM 0 H LYS A 37 81.152 2.972 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 37 79.077 4.525 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.946 5.152 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 37 80.874 6.282 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 37 79.458 6.478 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 80.054 4.997 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 37 82.354 6.179 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 37 81.494 7.659 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 37 80.220 7.581 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 37 80.540 5.876 -3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 81.835 7.239 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 82.866 6.404 -3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 82.557 8.056 -3.643 1.00 0.00 H new ATOM 579 N VAL A 38 79.748 3.976 -10.795 1.00 0.00 N ATOM 580 CA VAL A 38 80.117 3.723 -12.190 1.00 0.00 C ATOM 581 C VAL A 38 79.358 4.645 -13.144 1.00 0.00 C ATOM 582 O VAL A 38 78.459 5.375 -12.735 1.00 0.00 O ATOM 583 CB VAL A 38 79.843 2.258 -12.600 1.00 0.00 C ATOM 584 CG1 VAL A 38 81.082 1.399 -12.399 1.00 0.00 C ATOM 585 CG2 VAL A 38 78.659 1.689 -11.830 1.00 0.00 C ATOM 0 H VAL A 38 78.751 4.133 -10.645 1.00 0.00 H new ATOM 0 HA VAL A 38 81.186 3.921 -12.263 1.00 0.00 H new ATOM 0 HB VAL A 38 79.591 2.247 -13.661 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.865 0.372 -12.694 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.897 1.787 -13.010 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.373 1.421 -11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 38 78.487 0.657 -12.137 1.00 0.00 H new ATOM 0 HG22 VAL A 38 78.872 1.719 -10.761 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.769 2.283 -12.040 1.00 0.00 H new ATOM 595 N LYS A 39 79.731 4.610 -14.419 1.00 0.00 N ATOM 596 CA LYS A 39 79.076 5.437 -15.433 1.00 0.00 C ATOM 597 C LYS A 39 77.754 4.811 -15.892 1.00 0.00 C ATOM 598 O LYS A 39 77.448 3.665 -15.565 1.00 0.00 O ATOM 599 CB LYS A 39 80.005 5.644 -16.630 1.00 0.00 C ATOM 600 CG LYS A 39 80.544 7.062 -16.742 1.00 0.00 C ATOM 601 CD LYS A 39 81.705 7.143 -17.719 1.00 0.00 C ATOM 602 CE LYS A 39 82.289 8.544 -17.776 1.00 0.00 C ATOM 603 NZ LYS A 39 83.288 8.688 -18.872 1.00 0.00 N ATOM 0 H LYS A 39 80.482 4.020 -14.777 1.00 0.00 H new ATOM 0 HA LYS A 39 78.853 6.405 -14.984 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.842 4.950 -16.554 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.467 5.395 -17.545 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.747 7.730 -17.067 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.869 7.407 -15.760 1.00 0.00 H new ATOM 0 HD2 LYS A 39 82.480 6.436 -17.423 1.00 0.00 H new ATOM 0 HD3 LYS A 39 81.367 6.848 -18.712 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.485 9.266 -17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.761 8.779 -16.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.662 9.659 -18.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 84.068 8.017 -18.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.832 8.489 -19.785 1.00 0.00 H new ATOM 617 N MET A 40 76.981 5.567 -16.667 1.00 0.00 N ATOM 618 CA MET A 40 75.684 5.099 -17.162 1.00 0.00 C ATOM 619 C MET A 40 75.824 4.169 -18.382 1.00 0.00 C ATOM 620 O MET A 40 74.871 3.485 -18.752 1.00 0.00 O ATOM 621 CB MET A 40 74.803 6.295 -17.531 1.00 0.00 C ATOM 622 CG MET A 40 74.044 6.884 -16.350 1.00 0.00 C ATOM 623 SD MET A 40 72.250 6.822 -16.566 1.00 0.00 S ATOM 624 CE MET A 40 71.962 5.065 -16.786 1.00 0.00 C ATOM 0 H MET A 40 77.229 6.510 -16.968 1.00 0.00 H new ATOM 0 HA MET A 40 75.221 4.525 -16.359 1.00 0.00 H new ATOM 0 HB2 MET A 40 75.427 7.071 -17.974 1.00 0.00 H new ATOM 0 HB3 MET A 40 74.088 5.987 -18.294 1.00 0.00 H new ATOM 0 HG2 MET A 40 74.315 6.342 -15.444 1.00 0.00 H new ATOM 0 HG3 MET A 40 74.352 7.920 -16.206 1.00 0.00 H new ATOM 0 HE1 MET A 40 71.740 4.861 -17.833 1.00 0.00 H new ATOM 0 HE2 MET A 40 72.852 4.510 -16.489 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.119 4.755 -16.169 1.00 0.00 H new ATOM 634 N THR A 41 77.004 4.143 -19.006 1.00 0.00 N ATOM 635 CA THR A 41 77.218 3.300 -20.184 1.00 0.00 C ATOM 636 C THR A 41 78.311 2.240 -19.950 1.00 0.00 C ATOM 637 O THR A 41 79.296 2.163 -20.688 1.00 0.00 O ATOM 638 CB THR A 41 77.565 4.158 -21.427 1.00 0.00 C ATOM 639 OG1 THR A 41 77.923 3.317 -22.531 1.00 0.00 O ATOM 640 CG2 THR A 41 78.701 5.134 -21.129 1.00 0.00 C ATOM 0 H THR A 41 77.817 4.689 -18.720 1.00 0.00 H new ATOM 0 HA THR A 41 76.281 2.775 -20.368 1.00 0.00 H new ATOM 0 HB THR A 41 76.678 4.735 -21.688 1.00 0.00 H new ATOM 0 HG1 THR A 41 78.657 2.725 -22.266 1.00 0.00 H new ATOM 0 HG21 THR A 41 78.920 5.721 -22.021 1.00 0.00 H new ATOM 0 HG22 THR A 41 78.405 5.801 -20.320 1.00 0.00 H new ATOM 0 HG23 THR A 41 79.590 4.578 -20.833 1.00 0.00 H new ATOM 648 N THR A 42 78.125 1.417 -18.923 1.00 0.00 N ATOM 649 CA THR A 42 79.092 0.362 -18.603 1.00 0.00 C ATOM 650 C THR A 42 78.424 -1.012 -18.534 1.00 0.00 C ATOM 651 O THR A 42 77.210 -1.117 -18.367 1.00 0.00 O ATOM 652 CB THR A 42 79.818 0.640 -17.266 1.00 0.00 C ATOM 653 OG1 THR A 42 80.788 -0.383 -17.010 1.00 0.00 O ATOM 654 CG2 THR A 42 78.835 0.717 -16.106 1.00 0.00 C ATOM 0 H THR A 42 77.319 1.456 -18.299 1.00 0.00 H new ATOM 0 HA THR A 42 79.824 0.361 -19.411 1.00 0.00 H new ATOM 0 HB THR A 42 80.319 1.604 -17.353 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.243 -0.197 -16.162 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.378 0.913 -15.181 1.00 0.00 H new ATOM 0 HG22 THR A 42 78.122 1.522 -16.286 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.300 -0.229 -16.019 1.00 0.00 H new ATOM 662 N HIS A 43 79.226 -2.065 -18.672 1.00 0.00 N ATOM 663 CA HIS A 43 78.718 -3.435 -18.628 1.00 0.00 C ATOM 664 C HIS A 43 78.530 -3.911 -17.186 1.00 0.00 C ATOM 665 O HIS A 43 79.212 -3.441 -16.275 1.00 0.00 O ATOM 666 CB HIS A 43 79.674 -4.373 -19.366 1.00 0.00 C ATOM 667 CG HIS A 43 79.385 -4.491 -20.830 1.00 0.00 C ATOM 668 ND1 HIS A 43 80.360 -4.731 -21.776 1.00 0.00 N ATOM 669 CD2 HIS A 43 78.222 -4.397 -21.514 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.809 -4.778 -22.975 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.511 -4.579 -22.844 1.00 0.00 N ATOM 0 H HIS A 43 80.233 -1.996 -18.816 1.00 0.00 H new ATOM 0 HA HIS A 43 77.745 -3.450 -19.120 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.695 -4.016 -19.233 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.621 -5.363 -18.913 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.245 -4.213 -21.092 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.331 -4.950 -23.904 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.833 -4.563 -23.606 1.00 0.00 H new ATOM 679 N LEU A 44 77.610 -4.856 -16.986 1.00 0.00 N ATOM 680 CA LEU A 44 77.328 -5.386 -15.650 1.00 0.00 C ATOM 681 C LEU A 44 78.471 -6.266 -15.100 1.00 0.00 C ATOM 682 O LEU A 44 78.488 -6.579 -13.909 1.00 0.00 O ATOM 683 CB LEU A 44 76.010 -6.167 -15.659 1.00 0.00 C ATOM 684 CG LEU A 44 74.799 -5.424 -15.071 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.987 -5.171 -13.585 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.556 -4.109 -15.802 1.00 0.00 C ATOM 0 H LEU A 44 77.048 -5.270 -17.730 1.00 0.00 H new ATOM 0 HA LEU A 44 77.241 -4.530 -14.980 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.780 -6.446 -16.687 1.00 0.00 H new ATOM 0 HB3 LEU A 44 76.152 -7.093 -15.102 1.00 0.00 H new ATOM 0 HG LEU A 44 73.924 -6.060 -15.206 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.117 -4.644 -13.193 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.100 -6.122 -13.065 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.879 -4.564 -13.429 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.694 -3.604 -15.366 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.436 -3.472 -15.707 1.00 0.00 H new ATOM 0 HD23 LEU A 44 74.364 -4.309 -16.856 1.00 0.00 H new ATOM 698 N LYS A 45 79.413 -6.673 -15.965 1.00 0.00 N ATOM 699 CA LYS A 45 80.552 -7.514 -15.559 1.00 0.00 C ATOM 700 C LYS A 45 81.269 -6.969 -14.317 1.00 0.00 C ATOM 701 O LYS A 45 81.497 -7.700 -13.354 1.00 0.00 O ATOM 702 CB LYS A 45 81.559 -7.629 -16.707 1.00 0.00 C ATOM 703 CG LYS A 45 80.971 -8.170 -17.999 1.00 0.00 C ATOM 704 CD LYS A 45 81.767 -7.714 -19.210 1.00 0.00 C ATOM 705 CE LYS A 45 81.098 -8.142 -20.508 1.00 0.00 C ATOM 706 NZ LYS A 45 82.002 -8.976 -21.350 1.00 0.00 N ATOM 0 H LYS A 45 79.409 -6.432 -16.956 1.00 0.00 H new ATOM 0 HA LYS A 45 80.147 -8.495 -15.310 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.987 -6.645 -16.900 1.00 0.00 H new ATOM 0 HB3 LYS A 45 82.377 -8.277 -16.394 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.954 -9.259 -17.963 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.937 -7.838 -18.096 1.00 0.00 H new ATOM 0 HD2 LYS A 45 81.869 -6.629 -19.192 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.773 -8.130 -19.163 1.00 0.00 H new ATOM 0 HE2 LYS A 45 80.192 -8.704 -20.281 1.00 0.00 H new ATOM 0 HE3 LYS A 45 80.793 -7.258 -21.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 81.509 -9.247 -22.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 82.855 -8.431 -21.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 82.273 -9.832 -20.826 1.00 0.00 H new ATOM 720 N LYS A 46 81.609 -5.680 -14.340 1.00 0.00 N ATOM 721 CA LYS A 46 82.315 -5.040 -13.225 1.00 0.00 C ATOM 722 C LYS A 46 81.422 -4.862 -11.992 1.00 0.00 C ATOM 723 O LYS A 46 81.916 -4.591 -10.897 1.00 0.00 O ATOM 724 CB LYS A 46 82.867 -3.683 -13.664 1.00 0.00 C ATOM 725 CG LYS A 46 84.240 -3.763 -14.313 1.00 0.00 C ATOM 726 CD LYS A 46 84.308 -2.925 -15.580 1.00 0.00 C ATOM 727 CE LYS A 46 85.619 -3.140 -16.319 1.00 0.00 C ATOM 728 NZ LYS A 46 86.262 -1.851 -16.699 1.00 0.00 N ATOM 0 H LYS A 46 81.407 -5.055 -15.120 1.00 0.00 H new ATOM 0 HA LYS A 46 83.134 -5.701 -12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 46 82.169 -3.227 -14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.923 -3.025 -12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.997 -3.420 -13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 46 84.472 -4.801 -14.550 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.474 -3.182 -16.233 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.200 -1.870 -15.326 1.00 0.00 H new ATOM 0 HE2 LYS A 46 86.300 -3.714 -15.690 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.437 -3.733 -17.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 87.153 -2.042 -17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 85.623 -1.314 -17.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 86.459 -1.296 -15.842 1.00 0.00 H new ATOM 742 N LEU A 47 80.115 -5.012 -12.169 1.00 0.00 N ATOM 743 CA LEU A 47 79.165 -4.863 -11.068 1.00 0.00 C ATOM 744 C LEU A 47 79.028 -6.159 -10.262 1.00 0.00 C ATOM 745 O LEU A 47 79.016 -6.139 -9.033 1.00 0.00 O ATOM 746 CB LEU A 47 77.794 -4.449 -11.613 1.00 0.00 C ATOM 747 CG LEU A 47 77.313 -3.049 -11.222 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.814 -3.036 -9.787 1.00 0.00 C ATOM 749 CD2 LEU A 47 78.419 -2.024 -11.417 1.00 0.00 C ATOM 0 H LEU A 47 79.686 -5.237 -13.066 1.00 0.00 H new ATOM 0 HA LEU A 47 79.547 -4.089 -10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.823 -4.511 -12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.055 -5.174 -11.272 1.00 0.00 H new ATOM 0 HG LEU A 47 76.483 -2.779 -11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.477 -2.032 -9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 47 75.984 -3.736 -9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 47 77.622 -3.331 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 47 78.054 -1.037 -11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 47 79.274 -2.288 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 47 78.723 -2.011 -12.464 1.00 0.00 H new ATOM 761 N LYS A 48 78.928 -7.284 -10.965 1.00 0.00 N ATOM 762 CA LYS A 48 78.773 -8.586 -10.314 1.00 0.00 C ATOM 763 C LYS A 48 80.117 -9.193 -9.890 1.00 0.00 C ATOM 764 O LYS A 48 80.252 -9.689 -8.771 1.00 0.00 O ATOM 765 CB LYS A 48 78.039 -9.555 -11.245 1.00 0.00 C ATOM 766 CG LYS A 48 76.531 -9.354 -11.267 1.00 0.00 C ATOM 767 CD LYS A 48 76.079 -8.618 -12.518 1.00 0.00 C ATOM 768 CE LYS A 48 75.552 -9.575 -13.578 1.00 0.00 C ATOM 769 NZ LYS A 48 74.342 -9.037 -14.258 1.00 0.00 N ATOM 0 H LYS A 48 78.951 -7.323 -11.984 1.00 0.00 H new ATOM 0 HA LYS A 48 78.187 -8.424 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 48 78.428 -9.438 -12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.256 -10.577 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.034 -10.323 -11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.226 -8.792 -10.384 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.301 -7.901 -12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.914 -8.048 -12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.331 -9.763 -14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 48 75.313 -10.533 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 73.631 -9.791 -14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 73.947 -8.255 -13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 74.601 -8.689 -15.203 1.00 0.00 H new ATOM 783 N GLU A 49 81.112 -9.137 -10.778 1.00 0.00 N ATOM 784 CA GLU A 49 82.437 -9.707 -10.497 1.00 0.00 C ATOM 785 C GLU A 49 83.113 -9.055 -9.285 1.00 0.00 C ATOM 786 O GLU A 49 83.909 -9.692 -8.593 1.00 0.00 O ATOM 787 CB GLU A 49 83.343 -9.577 -11.723 1.00 0.00 C ATOM 788 CG GLU A 49 83.287 -10.780 -12.654 1.00 0.00 C ATOM 789 CD GLU A 49 83.401 -10.394 -14.116 1.00 0.00 C ATOM 790 OE1 GLU A 49 84.371 -9.692 -14.474 1.00 0.00 O ATOM 791 OE2 GLU A 49 82.521 -10.796 -14.906 1.00 0.00 O ATOM 0 H GLU A 49 81.028 -8.704 -11.698 1.00 0.00 H new ATOM 0 HA GLU A 49 82.283 -10.760 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 49 83.060 -8.684 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 49 84.371 -9.433 -11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.093 -11.468 -12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.350 -11.314 -12.495 1.00 0.00 H new ATOM 798 N SER A 50 82.800 -7.788 -9.026 1.00 0.00 N ATOM 799 CA SER A 50 83.390 -7.077 -7.892 1.00 0.00 C ATOM 800 C SER A 50 82.726 -7.496 -6.579 1.00 0.00 C ATOM 801 O SER A 50 83.404 -7.789 -5.594 1.00 0.00 O ATOM 802 CB SER A 50 83.260 -5.563 -8.076 1.00 0.00 C ATOM 803 OG SER A 50 81.927 -5.196 -8.381 1.00 0.00 O ATOM 0 H SER A 50 82.146 -7.235 -9.580 1.00 0.00 H new ATOM 0 HA SER A 50 84.447 -7.340 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A 50 83.581 -5.055 -7.167 1.00 0.00 H new ATOM 0 HB3 SER A 50 83.923 -5.233 -8.876 1.00 0.00 H new ATOM 0 HG SER A 50 81.796 -5.218 -9.352 1.00 0.00 H new ATOM 809 N TYR A 51 81.396 -7.534 -6.586 1.00 0.00 N ATOM 810 CA TYR A 51 80.610 -7.917 -5.404 1.00 0.00 C ATOM 811 C TYR A 51 80.931 -9.344 -4.922 1.00 0.00 C ATOM 812 O TYR A 51 81.109 -9.571 -3.723 1.00 0.00 O ATOM 813 CB TYR A 51 79.101 -7.775 -5.700 1.00 0.00 C ATOM 814 CG TYR A 51 78.213 -8.755 -4.958 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.937 -8.592 -3.606 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.648 -9.840 -5.616 1.00 0.00 C ATOM 817 CE1 TYR A 51 77.127 -9.483 -2.931 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.837 -10.736 -4.947 1.00 0.00 C ATOM 819 CZ TYR A 51 76.579 -10.554 -3.605 1.00 0.00 C ATOM 820 OH TYR A 51 75.767 -11.439 -2.936 1.00 0.00 O ATOM 0 H TYR A 51 80.831 -7.303 -7.403 1.00 0.00 H new ATOM 0 HA TYR A 51 80.887 -7.238 -4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.789 -6.761 -5.448 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.942 -7.901 -6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 51 78.363 -7.754 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.846 -9.985 -6.668 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.923 -9.342 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.407 -11.575 -5.473 1.00 0.00 H new ATOM 0 HH TYR A 51 76.319 -12.069 -2.427 1.00 0.00 H new ATOM 830 N CYS A 52 81.024 -10.297 -5.852 1.00 0.00 N ATOM 831 CA CYS A 52 81.299 -11.695 -5.490 1.00 0.00 C ATOM 832 C CYS A 52 82.701 -11.874 -4.906 1.00 0.00 C ATOM 833 O CYS A 52 82.890 -12.639 -3.958 1.00 0.00 O ATOM 834 CB CYS A 52 81.120 -12.627 -6.695 1.00 0.00 C ATOM 835 SG CYS A 52 79.527 -12.455 -7.533 1.00 0.00 S ATOM 0 H CYS A 52 80.915 -10.132 -6.853 1.00 0.00 H new ATOM 0 HA CYS A 52 80.574 -11.963 -4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.918 -12.433 -7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.234 -13.659 -6.362 1.00 0.00 H new ATOM 0 HG CYS A 52 79.498 -11.330 -8.184 1.00 0.00 H new ATOM 841 N GLN A 53 83.678 -11.165 -5.467 1.00 0.00 N ATOM 842 CA GLN A 53 85.059 -11.257 -4.993 1.00 0.00 C ATOM 843 C GLN A 53 85.243 -10.536 -3.650 1.00 0.00 C ATOM 844 O GLN A 53 86.149 -10.863 -2.884 1.00 0.00 O ATOM 845 CB GLN A 53 86.020 -10.699 -6.055 1.00 0.00 C ATOM 846 CG GLN A 53 86.544 -9.302 -5.754 1.00 0.00 C ATOM 847 CD GLN A 53 87.195 -8.643 -6.958 1.00 0.00 C ATOM 848 OE1 GLN A 53 88.295 -8.107 -6.867 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.519 -8.676 -8.095 1.00 0.00 N ATOM 0 H GLN A 53 83.541 -10.523 -6.247 1.00 0.00 H new ATOM 0 HA GLN A 53 85.293 -12.309 -4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.867 -11.378 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.509 -10.683 -7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 53 85.721 -8.678 -5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 53 87.268 -9.358 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 53 85.607 -9.131 -8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.910 -8.247 -8.934 1.00 0.00 H new ATOM 858 N ARG A 54 84.378 -9.561 -3.370 1.00 0.00 N ATOM 859 CA ARG A 54 84.448 -8.807 -2.117 1.00 0.00 C ATOM 860 C ARG A 54 83.943 -9.650 -0.945 1.00 0.00 C ATOM 861 O ARG A 54 84.550 -9.669 0.125 1.00 0.00 O ATOM 862 CB ARG A 54 83.625 -7.520 -2.224 1.00 0.00 C ATOM 863 CG ARG A 54 84.447 -6.298 -2.609 1.00 0.00 C ATOM 864 CD ARG A 54 84.491 -5.276 -1.483 1.00 0.00 C ATOM 865 NE ARG A 54 84.640 -3.912 -1.986 1.00 0.00 N ATOM 866 CZ ARG A 54 85.132 -2.911 -1.276 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.528 -3.103 -0.040 1.00 0.00 N ATOM 868 NH2 ARG A 54 85.229 -1.714 -1.801 1.00 0.00 N ATOM 0 H ARG A 54 83.622 -9.275 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 54 85.491 -8.550 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.836 -7.664 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 54 83.136 -7.331 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 54 85.462 -6.606 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.022 -5.839 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 54 83.577 -5.347 -0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.320 -5.508 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 54 84.346 -3.720 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 54 85.457 -4.030 0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 54 85.906 -2.325 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 54 84.924 -1.552 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 54 85.609 -0.945 -1.250 1.00 0.00 H new ATOM 882 N GLN A 55 82.821 -10.333 -1.153 1.00 0.00 N ATOM 883 CA GLN A 55 82.240 -11.188 -0.113 1.00 0.00 C ATOM 884 C GLN A 55 82.954 -12.546 -0.026 1.00 0.00 C ATOM 885 O GLN A 55 83.202 -13.051 1.069 1.00 0.00 O ATOM 886 CB GLN A 55 80.739 -11.405 -0.354 1.00 0.00 C ATOM 887 CG GLN A 55 79.959 -10.114 -0.556 1.00 0.00 C ATOM 888 CD GLN A 55 79.483 -9.504 0.749 1.00 0.00 C ATOM 889 OE1 GLN A 55 78.316 -9.624 1.116 1.00 0.00 O ATOM 890 NE2 GLN A 55 80.381 -8.842 1.458 1.00 0.00 N ATOM 0 H GLN A 55 82.295 -10.314 -2.027 1.00 0.00 H new ATOM 0 HA GLN A 55 82.377 -10.670 0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.609 -12.039 -1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.318 -11.944 0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.587 -9.394 -1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.098 -10.311 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 55 81.340 -8.764 1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 55 80.115 -8.409 2.342 1.00 0.00 H new ATOM 899 N GLY A 56 83.276 -13.135 -1.177 1.00 0.00 N ATOM 900 CA GLY A 56 83.953 -14.424 -1.191 1.00 0.00 C ATOM 901 C GLY A 56 83.015 -15.574 -1.514 1.00 0.00 C ATOM 902 O GLY A 56 83.034 -16.606 -0.845 1.00 0.00 O ATOM 0 H GLY A 56 83.081 -12.744 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 56 84.758 -14.399 -1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.414 -14.598 -0.219 1.00 0.00 H new ATOM 906 N VAL A 57 82.196 -15.397 -2.547 1.00 0.00 N ATOM 907 CA VAL A 57 81.239 -16.425 -2.954 1.00 0.00 C ATOM 908 C VAL A 57 81.272 -16.655 -4.468 1.00 0.00 C ATOM 909 O VAL A 57 81.477 -15.716 -5.240 1.00 0.00 O ATOM 910 CB VAL A 57 79.794 -16.065 -2.533 1.00 0.00 C ATOM 911 CG1 VAL A 57 79.377 -16.868 -1.308 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.653 -14.570 -2.267 1.00 0.00 C ATOM 0 H VAL A 57 82.175 -14.552 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 57 81.539 -17.340 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 57 79.131 -16.323 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 57 78.358 -16.601 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 57 79.423 -17.933 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.051 -16.646 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.627 -14.348 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.331 -14.277 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.900 -14.015 -3.172 1.00 0.00 H new ATOM 922 N PRO A 58 81.078 -17.915 -4.915 1.00 0.00 N ATOM 923 CA PRO A 58 81.076 -18.262 -6.346 1.00 0.00 C ATOM 924 C PRO A 58 79.913 -17.629 -7.112 1.00 0.00 C ATOM 925 O PRO A 58 78.804 -17.504 -6.589 1.00 0.00 O ATOM 926 CB PRO A 58 80.941 -19.793 -6.355 1.00 0.00 C ATOM 927 CG PRO A 58 81.271 -20.230 -4.969 1.00 0.00 C ATOM 928 CD PRO A 58 80.861 -19.101 -4.070 1.00 0.00 C ATOM 0 HA PRO A 58 81.975 -17.894 -6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 58 79.931 -20.096 -6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 58 81.619 -20.243 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 58 80.739 -21.146 -4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.336 -20.441 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 58 79.820 -19.190 -3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 58 81.464 -19.067 -3.163 1.00 0.00 H new ATOM 936 N MET A 59 80.169 -17.256 -8.364 1.00 0.00 N ATOM 937 CA MET A 59 79.151 -16.630 -9.216 1.00 0.00 C ATOM 938 C MET A 59 78.017 -17.599 -9.569 1.00 0.00 C ATOM 939 O MET A 59 76.929 -17.178 -9.956 1.00 0.00 O ATOM 940 CB MET A 59 79.795 -16.100 -10.501 1.00 0.00 C ATOM 941 CG MET A 59 80.052 -14.603 -10.482 1.00 0.00 C ATOM 942 SD MET A 59 78.622 -13.647 -11.023 1.00 0.00 S ATOM 943 CE MET A 59 79.272 -12.881 -12.506 1.00 0.00 C ATOM 0 H MET A 59 81.076 -17.376 -8.816 1.00 0.00 H new ATOM 0 HA MET A 59 78.718 -15.805 -8.650 1.00 0.00 H new ATOM 0 HB2 MET A 59 80.739 -16.620 -10.665 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.149 -16.338 -11.346 1.00 0.00 H new ATOM 0 HG2 MET A 59 80.327 -14.298 -9.472 1.00 0.00 H new ATOM 0 HG3 MET A 59 80.901 -14.376 -11.126 1.00 0.00 H new ATOM 0 HE1 MET A 59 78.503 -12.255 -12.959 1.00 0.00 H new ATOM 0 HE2 MET A 59 80.136 -12.267 -12.250 1.00 0.00 H new ATOM 0 HE3 MET A 59 79.573 -13.654 -13.213 1.00 0.00 H new ATOM 953 N ASN A 60 78.273 -18.898 -9.431 1.00 0.00 N ATOM 954 CA ASN A 60 77.264 -19.916 -9.735 1.00 0.00 C ATOM 955 C ASN A 60 76.537 -20.377 -8.467 1.00 0.00 C ATOM 956 O ASN A 60 75.818 -21.377 -8.478 1.00 0.00 O ATOM 957 CB ASN A 60 77.913 -21.120 -10.431 1.00 0.00 C ATOM 958 CG ASN A 60 77.054 -21.676 -11.551 1.00 0.00 C ATOM 959 OD1 ASN A 60 76.966 -21.097 -12.627 1.00 0.00 O ATOM 960 ND2 ASN A 60 76.412 -22.806 -11.302 1.00 0.00 N ATOM 0 H ASN A 60 79.167 -19.272 -9.112 1.00 0.00 H new ATOM 0 HA ASN A 60 76.530 -19.466 -10.404 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.882 -20.824 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.099 -21.904 -9.696 1.00 0.00 H new ATOM 0 HD21 ASN A 60 75.819 -23.224 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 60 76.510 -23.259 -10.393 1.00 0.00 H new ATOM 967 N SER A 61 76.729 -19.645 -7.373 1.00 0.00 N ATOM 968 CA SER A 61 76.090 -19.984 -6.101 1.00 0.00 C ATOM 969 C SER A 61 75.021 -18.957 -5.714 1.00 0.00 C ATOM 970 O SER A 61 74.080 -19.269 -4.981 1.00 0.00 O ATOM 971 CB SER A 61 77.147 -20.079 -4.994 1.00 0.00 C ATOM 972 OG SER A 61 76.548 -20.226 -3.719 1.00 0.00 O ATOM 0 H SER A 61 77.320 -18.815 -7.340 1.00 0.00 H new ATOM 0 HA SER A 61 75.598 -20.949 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.805 -20.926 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.769 -19.184 -5.005 1.00 0.00 H new ATOM 0 HG SER A 61 77.247 -20.285 -3.034 1.00 0.00 H new ATOM 978 N LEU A 62 75.153 -17.741 -6.232 1.00 0.00 N ATOM 979 CA LEU A 62 74.206 -16.671 -5.925 1.00 0.00 C ATOM 980 C LEU A 62 73.348 -16.300 -7.138 1.00 0.00 C ATOM 981 O LEU A 62 73.757 -16.481 -8.285 1.00 0.00 O ATOM 982 CB LEU A 62 74.947 -15.432 -5.414 1.00 0.00 C ATOM 983 CG LEU A 62 76.337 -15.193 -6.016 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.253 -14.256 -7.210 1.00 0.00 C ATOM 985 CD2 LEU A 62 77.276 -14.630 -4.966 1.00 0.00 C ATOM 0 H LEU A 62 75.905 -17.470 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 62 73.540 -17.043 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.330 -14.555 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 62 75.049 -15.513 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 62 76.731 -16.149 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.250 -14.100 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.610 -14.695 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.838 -13.299 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.259 -14.465 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.882 -13.684 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 62 77.363 -15.336 -4.140 1.00 0.00 H new ATOM 997 N ARG A 63 72.154 -15.781 -6.867 1.00 0.00 N ATOM 998 CA ARG A 63 71.230 -15.375 -7.924 1.00 0.00 C ATOM 999 C ARG A 63 71.019 -13.859 -7.920 1.00 0.00 C ATOM 1000 O ARG A 63 70.459 -13.303 -6.974 1.00 0.00 O ATOM 1001 CB ARG A 63 69.884 -16.083 -7.751 1.00 0.00 C ATOM 1002 CG ARG A 63 69.906 -17.549 -8.153 1.00 0.00 C ATOM 1003 CD ARG A 63 68.790 -17.876 -9.132 1.00 0.00 C ATOM 1004 NE ARG A 63 68.419 -19.289 -9.085 1.00 0.00 N ATOM 1005 CZ ARG A 63 67.438 -19.820 -9.794 1.00 0.00 C ATOM 1006 NH1 ARG A 63 66.726 -19.078 -10.608 1.00 0.00 N ATOM 1007 NH2 ARG A 63 67.169 -21.097 -9.687 1.00 0.00 N ATOM 0 H ARG A 63 71.802 -15.631 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 63 71.669 -15.660 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 63 69.575 -16.006 -6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 63 69.132 -15.564 -8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.869 -17.789 -8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.806 -18.172 -7.264 1.00 0.00 H new ATOM 0 HD2 ARG A 63 67.917 -17.264 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 63 69.106 -17.617 -10.142 1.00 0.00 H new ATOM 0 HE ARG A 63 68.950 -19.903 -8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 63 66.927 -18.082 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 63 65.971 -19.497 -11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 63 67.717 -21.682 -9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 63 66.412 -21.506 -10.234 1.00 0.00 H new ATOM 1021 N LEU A 64 71.473 -13.201 -8.981 1.00 0.00 N ATOM 1022 CA LEU A 64 71.336 -11.748 -9.109 1.00 0.00 C ATOM 1023 C LEU A 64 70.128 -11.396 -9.981 1.00 0.00 C ATOM 1024 O LEU A 64 70.116 -11.674 -11.182 1.00 0.00 O ATOM 1025 CB LEU A 64 72.617 -11.155 -9.709 1.00 0.00 C ATOM 1026 CG LEU A 64 73.912 -11.850 -9.284 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.612 -12.466 -10.486 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.834 -10.874 -8.569 1.00 0.00 C ATOM 0 H LEU A 64 71.941 -13.649 -9.769 1.00 0.00 H new ATOM 0 HA LEU A 64 71.178 -11.322 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 64 72.542 -11.192 -10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.678 -10.103 -9.429 1.00 0.00 H new ATOM 0 HG LEU A 64 73.657 -12.651 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.530 -12.955 -10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 64 73.955 -13.200 -10.952 1.00 0.00 H new ATOM 0 HD13 LEU A 64 74.852 -11.685 -11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 75.749 -11.387 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 64 75.080 -10.049 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU A 64 74.335 -10.485 -7.681 1.00 0.00 H new ATOM 1040 N LEU A 65 69.112 -10.782 -9.374 1.00 0.00 N ATOM 1041 CA LEU A 65 67.894 -10.422 -10.109 1.00 0.00 C ATOM 1042 C LEU A 65 67.323 -9.058 -9.688 1.00 0.00 C ATOM 1043 O LEU A 65 67.594 -8.561 -8.594 1.00 0.00 O ATOM 1044 CB LEU A 65 66.835 -11.555 -10.008 1.00 0.00 C ATOM 1045 CG LEU A 65 66.014 -11.713 -8.700 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.856 -11.531 -7.444 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.824 -10.767 -8.686 1.00 0.00 C ATOM 0 H LEU A 65 69.105 -10.525 -8.387 1.00 0.00 H new ATOM 0 HA LEU A 65 68.172 -10.313 -11.157 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.127 -11.415 -10.825 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.348 -12.500 -10.189 1.00 0.00 H new ATOM 0 HG LEU A 65 65.650 -12.740 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.226 -11.653 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.651 -12.276 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.294 -10.533 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.266 -10.898 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.176 -9.738 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.175 -10.986 -9.534 1.00 0.00 H new ATOM 1059 N PHE A 66 66.538 -8.455 -10.585 1.00 0.00 N ATOM 1060 CA PHE A 66 65.918 -7.153 -10.327 1.00 0.00 C ATOM 1061 C PHE A 66 64.418 -7.185 -10.647 1.00 0.00 C ATOM 1062 O PHE A 66 64.031 -7.445 -11.785 1.00 0.00 O ATOM 1063 CB PHE A 66 66.600 -6.063 -11.165 1.00 0.00 C ATOM 1064 CG PHE A 66 65.901 -4.731 -11.120 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.726 -4.064 -9.919 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.418 -4.151 -12.282 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.081 -2.844 -9.877 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.774 -2.929 -12.246 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.604 -2.275 -11.043 1.00 0.00 C ATOM 0 H PHE A 66 66.316 -8.850 -11.499 1.00 0.00 H new ATOM 0 HA PHE A 66 66.043 -6.926 -9.268 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.624 -5.937 -10.814 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.657 -6.397 -12.201 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.098 -4.503 -9.005 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.546 -4.660 -13.226 1.00 0.00 H new ATOM 0 HE1 PHE A 66 64.949 -2.335 -8.934 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.404 -2.486 -13.159 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.099 -1.321 -11.012 1.00 0.00 H new ATOM 1079 N GLU A 67 63.590 -6.933 -9.623 1.00 0.00 N ATOM 1080 CA GLU A 67 62.114 -6.906 -9.745 1.00 0.00 C ATOM 1081 C GLU A 67 61.531 -8.147 -10.456 1.00 0.00 C ATOM 1082 O GLU A 67 60.433 -8.096 -11.015 1.00 0.00 O ATOM 1083 CB GLU A 67 61.647 -5.601 -10.426 1.00 0.00 C ATOM 1084 CG GLU A 67 61.723 -5.595 -11.950 1.00 0.00 C ATOM 1085 CD GLU A 67 60.414 -5.193 -12.601 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.684 -4.365 -12.013 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.120 -5.698 -13.706 1.00 0.00 O ATOM 0 H GLU A 67 63.922 -6.740 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 67 61.721 -6.935 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.617 -5.405 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.250 -4.777 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.508 -4.908 -12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.008 -6.588 -12.299 1.00 0.00 H new ATOM 1094 N GLY A 68 62.253 -9.266 -10.405 1.00 0.00 N ATOM 1095 CA GLY A 68 61.781 -10.489 -11.042 1.00 0.00 C ATOM 1096 C GLY A 68 62.452 -10.776 -12.380 1.00 0.00 C ATOM 1097 O GLY A 68 62.276 -11.853 -12.948 1.00 0.00 O ATOM 0 H GLY A 68 63.155 -9.349 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.954 -11.329 -10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.704 -10.418 -11.193 1.00 0.00 H new ATOM 1101 N GLN A 69 63.223 -9.818 -12.882 1.00 0.00 N ATOM 1102 CA GLN A 69 63.916 -9.975 -14.159 1.00 0.00 C ATOM 1103 C GLN A 69 65.408 -10.259 -13.946 1.00 0.00 C ATOM 1104 O GLN A 69 66.038 -9.702 -13.045 1.00 0.00 O ATOM 1105 CB GLN A 69 63.712 -8.710 -15.016 1.00 0.00 C ATOM 1106 CG GLN A 69 64.936 -8.271 -15.812 1.00 0.00 C ATOM 1107 CD GLN A 69 64.726 -8.367 -17.312 1.00 0.00 C ATOM 1108 OE1 GLN A 69 63.733 -7.883 -17.846 1.00 0.00 O ATOM 1109 NE2 GLN A 69 65.664 -8.994 -18.001 1.00 0.00 N ATOM 0 H GLN A 69 63.385 -8.921 -12.424 1.00 0.00 H new ATOM 0 HA GLN A 69 63.494 -10.831 -14.685 1.00 0.00 H new ATOM 0 HB2 GLN A 69 62.890 -8.887 -15.709 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.408 -7.892 -14.363 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.185 -7.243 -15.549 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.789 -8.888 -15.529 1.00 0.00 H new ATOM 0 HE21 GLN A 69 66.475 -9.383 -17.521 1.00 0.00 H new ATOM 0 HE22 GLN A 69 65.576 -9.089 -19.013 1.00 0.00 H new ATOM 1118 N ARG A 70 65.963 -11.142 -14.775 1.00 0.00 N ATOM 1119 CA ARG A 70 67.381 -11.491 -14.686 1.00 0.00 C ATOM 1120 C ARG A 70 68.231 -10.517 -15.508 1.00 0.00 C ATOM 1121 O ARG A 70 67.781 -9.991 -16.528 1.00 0.00 O ATOM 1122 CB ARG A 70 67.613 -12.933 -15.162 1.00 0.00 C ATOM 1123 CG ARG A 70 67.332 -13.156 -16.642 1.00 0.00 C ATOM 1124 CD ARG A 70 68.392 -14.036 -17.284 1.00 0.00 C ATOM 1125 NE ARG A 70 68.076 -14.346 -18.677 1.00 0.00 N ATOM 1126 CZ ARG A 70 68.803 -15.147 -19.438 1.00 0.00 C ATOM 1127 NH1 ARG A 70 69.879 -15.721 -18.961 1.00 0.00 N ATOM 1128 NH2 ARG A 70 68.450 -15.375 -20.678 1.00 0.00 N ATOM 0 H ARG A 70 65.455 -11.628 -15.514 1.00 0.00 H new ATOM 0 HA ARG A 70 67.684 -11.417 -13.642 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.647 -13.210 -14.954 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.980 -13.602 -14.579 1.00 0.00 H new ATOM 0 HG2 ARG A 70 66.352 -13.619 -16.762 1.00 0.00 H new ATOM 0 HG3 ARG A 70 67.296 -12.195 -17.155 1.00 0.00 H new ATOM 0 HD2 ARG A 70 69.358 -13.534 -17.234 1.00 0.00 H new ATOM 0 HD3 ARG A 70 68.485 -14.963 -16.718 1.00 0.00 H new ATOM 0 HE ARG A 70 67.245 -13.919 -19.087 1.00 0.00 H new ATOM 0 HH11 ARG A 70 70.162 -15.552 -17.996 1.00 0.00 H new ATOM 0 HH12 ARG A 70 70.434 -16.337 -19.555 1.00 0.00 H new ATOM 0 HH21 ARG A 70 67.613 -14.934 -21.059 1.00 0.00 H new ATOM 0 HH22 ARG A 70 69.012 -15.993 -21.263 1.00 0.00 H new ATOM 1142 N ILE A 71 69.460 -10.278 -15.063 1.00 0.00 N ATOM 1143 CA ILE A 71 70.354 -9.354 -15.762 1.00 0.00 C ATOM 1144 C ILE A 71 71.685 -10.026 -16.107 1.00 0.00 C ATOM 1145 O ILE A 71 72.355 -10.587 -15.239 1.00 0.00 O ATOM 1146 CB ILE A 71 70.641 -8.076 -14.929 1.00 0.00 C ATOM 1147 CG1 ILE A 71 69.343 -7.357 -14.550 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.548 -7.127 -15.699 1.00 0.00 C ATOM 1149 CD1 ILE A 71 68.874 -7.666 -13.146 1.00 0.00 C ATOM 0 H ILE A 71 69.860 -10.706 -14.228 1.00 0.00 H new ATOM 0 HA ILE A 71 69.839 -9.067 -16.678 1.00 0.00 H new ATOM 0 HB ILE A 71 71.144 -8.387 -14.013 1.00 0.00 H new ATOM 0 HG12 ILE A 71 69.490 -6.281 -14.648 1.00 0.00 H new ATOM 0 HG13 ILE A 71 68.561 -7.637 -15.256 1.00 0.00 H new ATOM 0 HG21 ILE A 71 71.737 -6.237 -15.098 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.493 -7.625 -15.919 1.00 0.00 H new ATOM 0 HG23 ILE A 71 71.064 -6.839 -16.632 1.00 0.00 H new ATOM 0 HD11 ILE A 71 67.950 -7.124 -12.943 1.00 0.00 H new ATOM 0 HD12 ILE A 71 68.695 -8.737 -13.050 1.00 0.00 H new ATOM 0 HD13 ILE A 71 69.638 -7.360 -12.432 1.00 0.00 H new ATOM 1161 N ALA A 72 72.053 -9.966 -17.383 1.00 0.00 N ATOM 1162 CA ALA A 72 73.310 -10.549 -17.850 1.00 0.00 C ATOM 1163 C ALA A 72 74.491 -9.599 -17.604 1.00 0.00 C ATOM 1164 O ALA A 72 74.315 -8.483 -17.116 1.00 0.00 O ATOM 1165 CB ALA A 72 73.206 -10.900 -19.327 1.00 0.00 C ATOM 0 H ALA A 72 71.499 -9.520 -18.114 1.00 0.00 H new ATOM 0 HA ALA A 72 73.494 -11.460 -17.281 1.00 0.00 H new ATOM 0 HB1 ALA A 72 74.147 -11.333 -19.665 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.401 -11.620 -19.474 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.995 -9.998 -19.901 1.00 0.00 H new ATOM 1171 N ASP A 73 75.691 -10.046 -17.957 1.00 0.00 N ATOM 1172 CA ASP A 73 76.899 -9.249 -17.769 1.00 0.00 C ATOM 1173 C ASP A 73 77.126 -8.286 -18.941 1.00 0.00 C ATOM 1174 O ASP A 73 77.744 -7.234 -18.778 1.00 0.00 O ATOM 1175 CB ASP A 73 78.109 -10.173 -17.605 1.00 0.00 C ATOM 1176 CG ASP A 73 78.063 -10.962 -16.310 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.463 -12.058 -16.304 1.00 0.00 O ATOM 1178 OD2 ASP A 73 78.630 -10.486 -15.304 1.00 0.00 O ATOM 0 H ASP A 73 75.854 -10.961 -18.377 1.00 0.00 H new ATOM 0 HA ASP A 73 76.772 -8.650 -16.867 1.00 0.00 H new ATOM 0 HB2 ASP A 73 78.152 -10.864 -18.447 1.00 0.00 H new ATOM 0 HB3 ASP A 73 79.023 -9.579 -17.633 1.00 0.00 H new ATOM 1183 N ASN A 74 76.616 -8.649 -20.117 1.00 0.00 N ATOM 1184 CA ASN A 74 76.757 -7.814 -21.311 1.00 0.00 C ATOM 1185 C ASN A 74 75.654 -6.751 -21.387 1.00 0.00 C ATOM 1186 O ASN A 74 75.500 -6.075 -22.406 1.00 0.00 O ATOM 1187 CB ASN A 74 76.744 -8.682 -22.576 1.00 0.00 C ATOM 1188 CG ASN A 74 75.551 -9.620 -22.634 1.00 0.00 C ATOM 1189 OD1 ASN A 74 75.395 -10.500 -21.790 1.00 0.00 O ATOM 1190 ND2 ASN A 74 74.702 -9.440 -23.631 1.00 0.00 N ATOM 0 H ASN A 74 76.101 -9.516 -20.269 1.00 0.00 H new ATOM 0 HA ASN A 74 77.715 -7.299 -21.243 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.736 -8.036 -23.454 1.00 0.00 H new ATOM 0 HB3 ASN A 74 77.663 -9.267 -22.619 1.00 0.00 H new ATOM 0 HD21 ASN A 74 73.884 -10.042 -23.719 1.00 0.00 H new ATOM 0 HD22 ASN A 74 74.865 -8.699 -24.312 1.00 0.00 H new ATOM 1197 N HIS A 75 74.894 -6.612 -20.306 1.00 0.00 N ATOM 1198 CA HIS A 75 73.814 -5.630 -20.237 1.00 0.00 C ATOM 1199 C HIS A 75 74.340 -4.268 -19.786 1.00 0.00 C ATOM 1200 O HIS A 75 75.375 -4.179 -19.124 1.00 0.00 O ATOM 1201 CB HIS A 75 72.731 -6.100 -19.264 1.00 0.00 C ATOM 1202 CG HIS A 75 71.514 -6.665 -19.929 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.713 -7.625 -19.345 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.947 -6.394 -21.130 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.712 -7.920 -20.153 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.829 -7.186 -21.245 1.00 0.00 N ATOM 0 H HIS A 75 75.006 -7.170 -19.460 1.00 0.00 H new ATOM 0 HA HIS A 75 73.390 -5.531 -21.236 1.00 0.00 H new ATOM 0 HB2 HIS A 75 73.155 -6.856 -18.603 1.00 0.00 H new ATOM 0 HB3 HIS A 75 72.432 -5.260 -18.637 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.307 -5.686 -21.862 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.931 -8.639 -19.955 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.194 -7.204 -22.043 1.00 0.00 H new ATOM 1214 N THR A 76 73.624 -3.211 -20.154 1.00 0.00 N ATOM 1215 CA THR A 76 74.008 -1.851 -19.778 1.00 0.00 C ATOM 1216 C THR A 76 72.821 -1.098 -19.179 1.00 0.00 C ATOM 1217 O THR A 76 71.687 -1.242 -19.645 1.00 0.00 O ATOM 1218 CB THR A 76 74.538 -1.048 -20.987 1.00 0.00 C ATOM 1219 OG1 THR A 76 73.637 -1.170 -22.094 1.00 0.00 O ATOM 1220 CG2 THR A 76 75.920 -1.528 -21.406 1.00 0.00 C ATOM 0 H THR A 76 72.773 -3.268 -20.713 1.00 0.00 H new ATOM 0 HA THR A 76 74.803 -1.945 -19.039 1.00 0.00 H new ATOM 0 HB THR A 76 74.610 -0.003 -20.685 1.00 0.00 H new ATOM 0 HG1 THR A 76 73.981 -0.656 -22.854 1.00 0.00 H new ATOM 0 HG21 THR A 76 76.265 -0.943 -22.259 1.00 0.00 H new ATOM 0 HG22 THR A 76 76.615 -1.404 -20.576 1.00 0.00 H new ATOM 0 HG23 THR A 76 75.871 -2.581 -21.684 1.00 0.00 H new ATOM 1228 N PRO A 77 73.060 -0.291 -18.123 1.00 0.00 N ATOM 1229 CA PRO A 77 72.003 0.496 -17.472 1.00 0.00 C ATOM 1230 C PRO A 77 71.294 1.451 -18.440 1.00 0.00 C ATOM 1231 O PRO A 77 70.135 1.815 -18.228 1.00 0.00 O ATOM 1232 CB PRO A 77 72.732 1.285 -16.374 1.00 0.00 C ATOM 1233 CG PRO A 77 74.193 1.131 -16.645 1.00 0.00 C ATOM 1234 CD PRO A 77 74.364 -0.115 -17.467 1.00 0.00 C ATOM 0 HA PRO A 77 71.216 -0.151 -17.085 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.442 2.336 -16.393 1.00 0.00 H new ATOM 0 HB3 PRO A 77 72.478 0.902 -15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.579 2.000 -17.178 1.00 0.00 H new ATOM 0 HG3 PRO A 77 74.751 1.056 -15.712 1.00 0.00 H new ATOM 0 HD2 PRO A 77 75.166 -0.005 -18.197 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.616 -0.973 -16.844 1.00 0.00 H new ATOM 1242 N LYS A 78 71.992 1.845 -19.507 1.00 0.00 N ATOM 1243 CA LYS A 78 71.432 2.746 -20.514 1.00 0.00 C ATOM 1244 C LYS A 78 70.451 2.013 -21.439 1.00 0.00 C ATOM 1245 O LYS A 78 69.574 2.629 -22.039 1.00 0.00 O ATOM 1246 CB LYS A 78 72.557 3.392 -21.337 1.00 0.00 C ATOM 1247 CG LYS A 78 73.236 2.443 -22.318 1.00 0.00 C ATOM 1248 CD LYS A 78 73.998 3.200 -23.392 1.00 0.00 C ATOM 1249 CE LYS A 78 74.829 2.259 -24.252 1.00 0.00 C ATOM 1250 NZ LYS A 78 76.148 2.853 -24.612 1.00 0.00 N ATOM 0 H LYS A 78 72.951 1.552 -19.696 1.00 0.00 H new ATOM 0 HA LYS A 78 70.880 3.527 -19.992 1.00 0.00 H new ATOM 0 HB2 LYS A 78 72.148 4.237 -21.890 1.00 0.00 H new ATOM 0 HB3 LYS A 78 73.308 3.791 -20.655 1.00 0.00 H new ATOM 0 HG2 LYS A 78 73.921 1.789 -21.778 1.00 0.00 H new ATOM 0 HG3 LYS A 78 72.486 1.804 -22.785 1.00 0.00 H new ATOM 0 HD2 LYS A 78 73.296 3.746 -24.022 1.00 0.00 H new ATOM 0 HD3 LYS A 78 74.649 3.939 -22.925 1.00 0.00 H new ATOM 0 HE2 LYS A 78 74.987 1.322 -23.717 1.00 0.00 H new ATOM 0 HE3 LYS A 78 74.279 2.018 -25.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 76.603 2.270 -25.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 76.007 3.817 -24.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 76.755 2.887 -23.768 1.00 0.00 H new ATOM 1264 N GLU A 79 70.606 0.692 -21.544 1.00 0.00 N ATOM 1265 CA GLU A 79 69.732 -0.120 -22.388 1.00 0.00 C ATOM 1266 C GLU A 79 68.471 -0.522 -21.627 1.00 0.00 C ATOM 1267 O GLU A 79 67.362 -0.429 -22.150 1.00 0.00 O ATOM 1268 CB GLU A 79 70.470 -1.372 -22.875 1.00 0.00 C ATOM 1269 CG GLU A 79 69.914 -1.945 -24.169 1.00 0.00 C ATOM 1270 CD GLU A 79 70.099 -3.448 -24.271 1.00 0.00 C ATOM 1271 OE1 GLU A 79 69.764 -4.157 -23.295 1.00 0.00 O ATOM 1272 OE2 GLU A 79 70.580 -3.917 -25.324 1.00 0.00 O ATOM 0 H GLU A 79 71.328 0.163 -21.055 1.00 0.00 H new ATOM 0 HA GLU A 79 69.443 0.478 -23.252 1.00 0.00 H new ATOM 0 HB2 GLU A 79 71.523 -1.129 -23.018 1.00 0.00 H new ATOM 0 HB3 GLU A 79 70.422 -2.136 -22.099 1.00 0.00 H new ATOM 0 HG2 GLU A 79 68.852 -1.708 -24.240 1.00 0.00 H new ATOM 0 HG3 GLU A 79 70.405 -1.464 -25.015 1.00 0.00 H new ATOM 1279 N LEU A 80 68.649 -0.980 -20.388 1.00 0.00 N ATOM 1280 CA LEU A 80 67.517 -1.384 -19.551 1.00 0.00 C ATOM 1281 C LEU A 80 66.723 -0.172 -19.035 1.00 0.00 C ATOM 1282 O LEU A 80 65.562 -0.309 -18.650 1.00 0.00 O ATOM 1283 CB LEU A 80 68.000 -2.237 -18.370 1.00 0.00 C ATOM 1284 CG LEU A 80 68.580 -3.611 -18.734 1.00 0.00 C ATOM 1285 CD1 LEU A 80 68.818 -4.440 -17.479 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.657 -4.349 -19.691 1.00 0.00 C ATOM 0 H LEU A 80 69.561 -1.081 -19.942 1.00 0.00 H new ATOM 0 HA LEU A 80 66.849 -1.978 -20.175 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.759 -1.675 -17.826 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.164 -2.386 -17.687 1.00 0.00 H new ATOM 0 HG LEU A 80 69.537 -3.455 -19.233 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.229 -5.411 -17.757 1.00 0.00 H new ATOM 0 HD12 LEU A 80 69.521 -3.921 -16.828 1.00 0.00 H new ATOM 0 HD13 LEU A 80 67.874 -4.583 -16.953 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.088 -5.320 -19.936 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.684 -4.491 -19.221 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.537 -3.765 -20.604 1.00 0.00 H new ATOM 1298 N GLY A 81 67.349 1.011 -19.024 1.00 0.00 N ATOM 1299 CA GLY A 81 66.673 2.215 -18.559 1.00 0.00 C ATOM 1300 C GLY A 81 66.501 2.254 -17.050 1.00 0.00 C ATOM 1301 O GLY A 81 65.417 2.558 -16.551 1.00 0.00 O ATOM 0 H GLY A 81 68.312 1.154 -19.329 1.00 0.00 H new ATOM 0 HA2 GLY A 81 67.241 3.090 -18.877 1.00 0.00 H new ATOM 0 HA3 GLY A 81 65.694 2.281 -19.033 1.00 0.00 H new ATOM 1305 N MET A 82 67.571 1.961 -16.315 1.00 0.00 N ATOM 1306 CA MET A 82 67.503 1.956 -14.856 1.00 0.00 C ATOM 1307 C MET A 82 68.105 3.225 -14.249 1.00 0.00 C ATOM 1308 O MET A 82 69.301 3.485 -14.371 1.00 0.00 O ATOM 1309 CB MET A 82 68.230 0.733 -14.290 1.00 0.00 C ATOM 1310 CG MET A 82 67.976 -0.554 -15.059 1.00 0.00 C ATOM 1311 SD MET A 82 69.462 -1.559 -15.228 1.00 0.00 S ATOM 1312 CE MET A 82 69.159 -2.829 -14.003 1.00 0.00 C ATOM 0 H MET A 82 68.486 1.726 -16.700 1.00 0.00 H new ATOM 0 HA MET A 82 66.447 1.917 -14.588 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.302 0.933 -14.282 1.00 0.00 H new ATOM 0 HB3 MET A 82 67.924 0.590 -13.253 1.00 0.00 H new ATOM 0 HG2 MET A 82 67.206 -1.133 -14.549 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.590 -0.312 -16.049 1.00 0.00 H new ATOM 0 HE1 MET A 82 69.995 -3.529 -13.990 1.00 0.00 H new ATOM 0 HE2 MET A 82 69.055 -2.369 -13.020 1.00 0.00 H new ATOM 0 HE3 MET A 82 68.242 -3.364 -14.252 1.00 0.00 H new ATOM 1322 N GLU A 83 67.258 4.006 -13.585 1.00 0.00 N ATOM 1323 CA GLU A 83 67.687 5.235 -12.924 1.00 0.00 C ATOM 1324 C GLU A 83 67.123 5.277 -11.502 1.00 0.00 C ATOM 1325 O GLU A 83 65.917 5.118 -11.317 1.00 0.00 O ATOM 1326 CB GLU A 83 67.232 6.463 -13.717 1.00 0.00 C ATOM 1327 CG GLU A 83 67.325 7.769 -12.941 1.00 0.00 C ATOM 1328 CD GLU A 83 66.969 8.979 -13.785 1.00 0.00 C ATOM 1329 OE1 GLU A 83 67.882 9.550 -14.415 1.00 0.00 O ATOM 1330 OE2 GLU A 83 65.778 9.353 -13.812 1.00 0.00 O ATOM 0 H GLU A 83 66.262 3.807 -13.490 1.00 0.00 H new ATOM 0 HA GLU A 83 68.776 5.249 -12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 83 67.837 6.545 -14.620 1.00 0.00 H new ATOM 0 HB3 GLU A 83 66.201 6.315 -14.037 1.00 0.00 H new ATOM 0 HG2 GLU A 83 66.659 7.723 -12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 83 68.338 7.886 -12.555 1.00 0.00 H new ATOM 1337 N GLU A 84 68.003 5.476 -10.506 1.00 0.00 N ATOM 1338 CA GLU A 84 67.608 5.519 -9.080 1.00 0.00 C ATOM 1339 C GLU A 84 67.183 4.132 -8.566 1.00 0.00 C ATOM 1340 O GLU A 84 67.679 3.661 -7.544 1.00 0.00 O ATOM 1341 CB GLU A 84 66.485 6.539 -8.843 1.00 0.00 C ATOM 1342 CG GLU A 84 66.985 7.957 -8.607 1.00 0.00 C ATOM 1343 CD GLU A 84 66.755 8.431 -7.185 1.00 0.00 C ATOM 1344 OE1 GLU A 84 65.624 8.861 -6.879 1.00 0.00 O ATOM 1345 OE2 GLU A 84 67.707 8.372 -6.379 1.00 0.00 O ATOM 0 H GLU A 84 69.002 5.611 -10.661 1.00 0.00 H new ATOM 0 HA GLU A 84 68.486 5.834 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 84 65.817 6.538 -9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 84 65.895 6.223 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 84 68.050 8.004 -8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 84 66.482 8.635 -9.297 1.00 0.00 H new ATOM 1352 N GLU A 85 66.271 3.485 -9.290 1.00 0.00 N ATOM 1353 CA GLU A 85 65.777 2.147 -8.943 1.00 0.00 C ATOM 1354 C GLU A 85 66.791 1.061 -9.328 1.00 0.00 C ATOM 1355 O GLU A 85 66.495 -0.128 -9.246 1.00 0.00 O ATOM 1356 CB GLU A 85 64.432 1.870 -9.625 1.00 0.00 C ATOM 1357 CG GLU A 85 63.232 2.358 -8.829 1.00 0.00 C ATOM 1358 CD GLU A 85 62.142 2.938 -9.711 1.00 0.00 C ATOM 1359 OE1 GLU A 85 62.177 4.161 -9.971 1.00 0.00 O ATOM 1360 OE2 GLU A 85 61.252 2.173 -10.139 1.00 0.00 O ATOM 0 H GLU A 85 65.851 3.872 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 85 65.638 2.120 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 85 64.426 2.348 -10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 85 64.334 0.798 -9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 85 62.823 1.529 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 85 63.558 3.115 -8.115 1.00 0.00 H new ATOM 1367 N ASP A 86 67.978 1.489 -9.767 1.00 0.00 N ATOM 1368 CA ASP A 86 69.068 0.591 -10.187 1.00 0.00 C ATOM 1369 C ASP A 86 69.608 -0.312 -9.051 1.00 0.00 C ATOM 1370 O ASP A 86 70.708 -0.857 -9.162 1.00 0.00 O ATOM 1371 CB ASP A 86 70.212 1.419 -10.779 1.00 0.00 C ATOM 1372 CG ASP A 86 70.868 0.745 -11.972 1.00 0.00 C ATOM 1373 OD1 ASP A 86 70.640 -0.467 -12.173 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.606 1.430 -12.708 1.00 0.00 O ATOM 0 H ASP A 86 68.216 2.478 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 86 68.647 -0.080 -10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 86 69.830 2.394 -11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 86 70.963 1.596 -10.009 1.00 0.00 H new ATOM 1379 N VAL A 87 68.853 -0.460 -7.969 1.00 0.00 N ATOM 1380 CA VAL A 87 69.269 -1.298 -6.843 1.00 0.00 C ATOM 1381 C VAL A 87 68.983 -2.777 -7.142 1.00 0.00 C ATOM 1382 O VAL A 87 67.837 -3.176 -7.357 1.00 0.00 O ATOM 1383 CB VAL A 87 68.554 -0.871 -5.531 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.111 -0.463 -5.798 1.00 0.00 C ATOM 1385 CG2 VAL A 87 68.608 -1.976 -4.485 1.00 0.00 C ATOM 0 H VAL A 87 67.946 -0.010 -7.844 1.00 0.00 H new ATOM 0 HA VAL A 87 70.342 -1.164 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 87 69.088 -0.006 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.637 -0.169 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.093 0.377 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.569 -1.304 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.099 -1.645 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.116 -2.868 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 87 69.648 -2.207 -4.253 1.00 0.00 H new ATOM 1395 N ILE A 88 70.042 -3.586 -7.167 1.00 0.00 N ATOM 1396 CA ILE A 88 69.913 -5.016 -7.460 1.00 0.00 C ATOM 1397 C ILE A 88 69.921 -5.858 -6.181 1.00 0.00 C ATOM 1398 O ILE A 88 70.580 -5.513 -5.196 1.00 0.00 O ATOM 1399 CB ILE A 88 71.047 -5.512 -8.392 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.449 -4.417 -9.391 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.614 -6.770 -9.134 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.683 -4.753 -10.205 1.00 0.00 C ATOM 0 H ILE A 88 70.998 -3.278 -6.988 1.00 0.00 H new ATOM 0 HA ILE A 88 68.954 -5.139 -7.964 1.00 0.00 H new ATOM 0 HB ILE A 88 71.914 -5.750 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.616 -4.234 -10.070 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.626 -3.489 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 88 71.422 -7.105 -9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 88 70.378 -7.554 -8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.731 -6.552 -9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.903 -3.932 -10.887 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.530 -4.906 -9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.504 -5.663 -10.778 1.00 0.00 H new ATOM 1414 N GLU A 89 69.191 -6.971 -6.209 1.00 0.00 N ATOM 1415 CA GLU A 89 69.114 -7.866 -5.054 1.00 0.00 C ATOM 1416 C GLU A 89 69.717 -9.231 -5.387 1.00 0.00 C ATOM 1417 O GLU A 89 69.473 -9.786 -6.461 1.00 0.00 O ATOM 1418 CB GLU A 89 67.662 -8.033 -4.585 1.00 0.00 C ATOM 1419 CG GLU A 89 67.541 -8.603 -3.180 1.00 0.00 C ATOM 1420 CD GLU A 89 66.293 -8.129 -2.461 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.248 -8.809 -2.574 1.00 0.00 O ATOM 1422 OE2 GLU A 89 66.357 -7.081 -1.784 1.00 0.00 O ATOM 0 H GLU A 89 68.646 -7.275 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 89 69.689 -7.416 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.163 -7.064 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.137 -8.687 -5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.533 -9.692 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.419 -8.319 -2.600 1.00 0.00 H new ATOM 1429 N VAL A 90 70.514 -9.766 -4.467 1.00 0.00 N ATOM 1430 CA VAL A 90 71.151 -11.063 -4.671 1.00 0.00 C ATOM 1431 C VAL A 90 70.670 -12.093 -3.647 1.00 0.00 C ATOM 1432 O VAL A 90 70.634 -11.826 -2.446 1.00 0.00 O ATOM 1433 CB VAL A 90 72.689 -10.954 -4.591 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.341 -12.214 -5.135 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.188 -9.727 -5.343 1.00 0.00 C ATOM 0 H VAL A 90 70.734 -9.323 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 90 70.867 -11.395 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 90 72.967 -10.845 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.425 -12.120 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 90 73.016 -13.074 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.050 -12.354 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.274 -9.673 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.897 -9.799 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.751 -8.829 -4.906 1.00 0.00 H new ATOM 1445 N TYR A 91 70.300 -13.275 -4.134 1.00 0.00 N ATOM 1446 CA TYR A 91 69.830 -14.356 -3.262 1.00 0.00 C ATOM 1447 C TYR A 91 70.812 -15.527 -3.275 1.00 0.00 C ATOM 1448 O TYR A 91 71.576 -15.697 -4.225 1.00 0.00 O ATOM 1449 CB TYR A 91 68.432 -14.841 -3.676 1.00 0.00 C ATOM 1450 CG TYR A 91 67.318 -13.877 -3.336 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.417 -13.456 -4.308 1.00 0.00 C ATOM 1452 CD2 TYR A 91 67.160 -13.390 -2.044 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.394 -12.580 -4.003 1.00 0.00 C ATOM 1454 CE2 TYR A 91 66.138 -12.513 -1.730 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.259 -12.111 -2.714 1.00 0.00 C ATOM 1456 OH TYR A 91 64.238 -11.240 -2.405 1.00 0.00 O ATOM 0 H TYR A 91 70.315 -13.511 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 91 69.768 -13.956 -2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.426 -15.022 -4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.232 -15.796 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.519 -13.821 -5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.847 -13.702 -1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.703 -12.264 -4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 91 66.029 -12.145 -0.720 1.00 0.00 H new ATOM 0 HH TYR A 91 64.568 -10.319 -2.454 1.00 0.00 H new ATOM 1466 N GLN A 92 70.788 -16.337 -2.222 1.00 0.00 N ATOM 1467 CA GLN A 92 71.685 -17.488 -2.117 1.00 0.00 C ATOM 1468 C GLN A 92 70.980 -18.781 -2.533 1.00 0.00 C ATOM 1469 O GLN A 92 69.935 -19.133 -1.988 1.00 0.00 O ATOM 1470 CB GLN A 92 72.209 -17.615 -0.683 1.00 0.00 C ATOM 1471 CG GLN A 92 73.567 -18.295 -0.577 1.00 0.00 C ATOM 1472 CD GLN A 92 74.223 -18.075 0.771 1.00 0.00 C ATOM 1473 OE1 GLN A 92 75.033 -17.168 0.941 1.00 0.00 O ATOM 1474 NE2 GLN A 92 73.880 -18.908 1.741 1.00 0.00 N ATOM 0 H GLN A 92 70.158 -16.220 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 92 72.523 -17.326 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.277 -16.620 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 92 71.486 -18.177 -0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.448 -19.365 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.222 -17.916 -1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 92 73.203 -19.649 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 92 74.293 -18.808 2.669 1.00 0.00 H new ATOM 1483 N GLU A 93 71.560 -19.484 -3.503 1.00 0.00 N ATOM 1484 CA GLU A 93 70.985 -20.740 -3.987 1.00 0.00 C ATOM 1485 C GLU A 93 71.907 -21.925 -3.687 1.00 0.00 C ATOM 1486 O GLU A 93 71.452 -22.960 -3.201 1.00 0.00 O ATOM 1487 CB GLU A 93 70.715 -20.659 -5.492 1.00 0.00 C ATOM 1488 CG GLU A 93 69.377 -21.255 -5.906 1.00 0.00 C ATOM 1489 CD GLU A 93 69.517 -22.371 -6.923 1.00 0.00 C ATOM 1490 OE1 GLU A 93 70.448 -23.191 -6.781 1.00 0.00 O ATOM 1491 OE2 GLU A 93 68.696 -22.425 -7.865 1.00 0.00 O ATOM 0 H GLU A 93 72.424 -19.208 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 93 70.043 -20.898 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.749 -19.615 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.513 -21.176 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.867 -21.638 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.748 -20.468 -6.322 1.00 0.00 H new