USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 72 MET CE :methyl 174:sc= -0.457 (180deg=-0.541) USER MOD Set 1.2: A 93 MET CE :methyl 180:sc=-0.00241 (180deg=-0.00241) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0.102 USER MOD Set 2.2: A 29 GLN : amide:sc= 0.0279 X(o=0.13,f=-0.00046) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.53) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc=-0.00322 (180deg=-0.116) USER MOD Single : A 57 MET CE :methyl 159:sc= -0.263 (180deg=-0.782) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.14) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0361) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0.963 (180deg=0.159!) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.1) USER MOD Single : A 74 SER OG : rot 80:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.254) USER MOD Single : A 81 THR OG1 : rot 124:sc= 1.27 USER MOD Single : A 83 LYS NZ :NH3+ 132:sc= 1.13 (180deg=-1.36!) USER MOD Single : A 84 MET CE :methyl -135:sc=-0.000282 (180deg=-2.22) USER MOD Single : A 85 ASN : amide:sc= 0.594 K(o=0.59,f=-2.3!) USER MOD Single : A 91 THR OG1 : rot -69:sc= 0.674 USER MOD Single : A 94 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 1.11 (180deg=0.791) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -9.638 -7.284 -24.034 1.00 0.00 N ATOM 384 CA LEU A 25 -8.340 -7.647 -23.397 1.00 0.00 C ATOM 385 C LEU A 25 -8.447 -9.061 -22.750 1.00 0.00 C ATOM 386 O LEU A 25 -9.413 -9.364 -22.043 1.00 0.00 O ATOM 387 CB LEU A 25 -7.936 -6.682 -22.252 1.00 0.00 C ATOM 388 CG LEU A 25 -7.833 -5.191 -22.656 1.00 0.00 C ATOM 389 CD1 LEU A 25 -7.582 -4.309 -21.414 1.00 0.00 C ATOM 390 CD2 LEU A 25 -6.764 -4.930 -23.734 1.00 0.00 C ATOM 0 HA LEU A 25 -7.596 -7.602 -24.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.664 -6.775 -21.446 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.974 -7.001 -21.851 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.791 -4.921 -23.100 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.512 -3.264 -21.718 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.406 -4.428 -20.710 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.650 -4.611 -20.936 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.741 -3.867 -23.974 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.788 -5.239 -23.361 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.006 -5.499 -24.632 1.00 0.00 H new ATOM 402 N THR A 26 -7.450 -9.928 -22.997 1.00 0.00 N ATOM 403 CA THR A 26 -7.545 -11.375 -22.618 1.00 0.00 C ATOM 404 C THR A 26 -7.004 -11.597 -21.161 1.00 0.00 C ATOM 405 O THR A 26 -7.240 -10.785 -20.266 1.00 0.00 O ATOM 406 CB THR A 26 -6.804 -12.218 -23.652 1.00 0.00 C ATOM 407 OG1 THR A 26 -5.474 -11.731 -23.852 1.00 0.00 O ATOM 408 CG2 THR A 26 -7.573 -12.125 -24.988 1.00 0.00 C ATOM 0 H THR A 26 -6.574 -9.670 -23.451 1.00 0.00 H new ATOM 0 HA THR A 26 -8.588 -11.692 -22.615 1.00 0.00 H new ATOM 0 HB THR A 26 -6.746 -13.247 -23.298 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.018 -12.288 -24.517 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.062 -12.721 -25.744 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.586 -12.504 -24.852 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.615 -11.085 -25.312 1.00 0.00 H new ATOM 416 N GLU A 27 -6.307 -12.706 -20.905 1.00 0.00 N ATOM 417 CA GLU A 27 -5.724 -13.043 -19.581 1.00 0.00 C ATOM 418 C GLU A 27 -4.381 -12.295 -19.288 1.00 0.00 C ATOM 419 O GLU A 27 -4.320 -11.509 -18.337 1.00 0.00 O ATOM 420 CB GLU A 27 -5.465 -14.561 -19.453 1.00 0.00 C ATOM 421 CG GLU A 27 -6.740 -15.399 -19.656 1.00 0.00 C ATOM 422 CD GLU A 27 -6.401 -16.878 -19.501 1.00 0.00 C ATOM 423 OE1 GLU A 27 -5.959 -17.267 -18.387 1.00 0.00 O ATOM 424 OE2 GLU A 27 -6.575 -17.634 -20.493 1.00 0.00 O ATOM 0 H GLU A 27 -6.122 -13.414 -21.616 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.467 -12.718 -18.852 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.717 -14.861 -20.187 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.049 -14.773 -18.468 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.499 -15.110 -18.929 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.159 -15.212 -20.645 1.00 0.00 H new ATOM 431 N GLU A 28 -3.344 -12.495 -20.128 1.00 0.00 N ATOM 432 CA GLU A 28 -2.041 -11.770 -20.057 1.00 0.00 C ATOM 433 C GLU A 28 -2.137 -10.206 -20.016 1.00 0.00 C ATOM 434 O GLU A 28 -1.570 -9.590 -19.111 1.00 0.00 O ATOM 435 CB GLU A 28 -1.191 -12.158 -21.290 1.00 0.00 C ATOM 436 CG GLU A 28 0.260 -11.649 -21.293 1.00 0.00 C ATOM 437 CD GLU A 28 0.910 -12.107 -22.595 1.00 0.00 C ATOM 438 OE1 GLU A 28 0.424 -11.669 -23.672 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.869 -12.919 -22.535 1.00 0.00 O ATOM 0 H GLU A 28 -3.381 -13.173 -20.889 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.596 -12.073 -19.109 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.174 -13.245 -21.368 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.689 -11.782 -22.183 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.284 -10.562 -21.215 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.805 -12.042 -20.435 1.00 0.00 H new ATOM 446 N GLN A 29 -2.884 -9.571 -20.944 1.00 0.00 N ATOM 447 CA GLN A 29 -3.076 -8.089 -20.946 1.00 0.00 C ATOM 448 C GLN A 29 -3.816 -7.547 -19.676 1.00 0.00 C ATOM 449 O GLN A 29 -3.266 -6.702 -18.965 1.00 0.00 O ATOM 450 CB GLN A 29 -3.902 -7.670 -22.185 1.00 0.00 C ATOM 451 CG GLN A 29 -3.259 -8.111 -23.515 1.00 0.00 C ATOM 452 CD GLN A 29 -4.224 -7.798 -24.663 1.00 0.00 C ATOM 453 OE1 GLN A 29 -4.308 -6.654 -25.120 1.00 0.00 O ATOM 454 NE2 GLN A 29 -4.978 -8.841 -25.125 1.00 0.00 N ATOM 0 H GLN A 29 -3.366 -10.052 -21.703 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.074 -7.661 -20.959 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.901 -8.099 -22.111 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.020 -6.586 -22.187 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.313 -7.592 -23.666 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.037 -9.178 -23.490 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.872 -9.768 -24.714 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.647 -8.692 -25.881 1.00 0.00 H new ATOM 463 N LYS A 30 -5.025 -8.058 -19.364 1.00 0.00 N ATOM 464 CA LYS A 30 -5.734 -7.786 -18.072 1.00 0.00 C ATOM 465 C LYS A 30 -4.839 -7.922 -16.792 1.00 0.00 C ATOM 466 O LYS A 30 -4.641 -6.922 -16.093 1.00 0.00 O ATOM 467 CB LYS A 30 -6.962 -8.708 -17.899 1.00 0.00 C ATOM 468 CG LYS A 30 -7.829 -8.418 -16.662 1.00 0.00 C ATOM 469 CD LYS A 30 -8.992 -9.412 -16.516 1.00 0.00 C ATOM 470 CE LYS A 30 -9.794 -9.199 -15.225 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.861 -10.216 -15.081 1.00 0.00 N ATOM 0 H LYS A 30 -5.546 -8.671 -19.991 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.035 -6.741 -18.152 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.587 -8.625 -18.788 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.617 -9.741 -17.847 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.207 -8.457 -15.768 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.226 -7.405 -16.729 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.658 -9.314 -17.373 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.600 -10.429 -16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.124 -9.247 -14.366 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.236 -8.203 -15.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.386 -10.046 -14.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.512 -10.153 -15.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.435 -11.164 -15.053 1.00 0.00 H new ATOM 485 N GLN A 31 -4.262 -9.118 -16.542 1.00 0.00 N ATOM 486 CA GLN A 31 -3.340 -9.352 -15.401 1.00 0.00 C ATOM 487 C GLN A 31 -2.082 -8.425 -15.402 1.00 0.00 C ATOM 488 O GLN A 31 -1.885 -7.707 -14.428 1.00 0.00 O ATOM 489 CB GLN A 31 -2.887 -10.837 -15.379 1.00 0.00 C ATOM 490 CG GLN A 31 -2.145 -11.315 -14.110 1.00 0.00 C ATOM 491 CD GLN A 31 -0.649 -10.965 -14.119 1.00 0.00 C ATOM 492 OE1 GLN A 31 -0.159 -10.275 -13.220 1.00 0.00 O ATOM 493 NE2 GLN A 31 0.084 -11.471 -15.153 1.00 0.00 N ATOM 0 H GLN A 31 -4.419 -9.945 -17.119 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.907 -9.107 -14.503 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.768 -11.464 -15.515 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.238 -11.008 -16.238 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.612 -10.867 -13.233 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.259 -12.395 -14.015 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.369 -12.036 -15.871 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.085 -11.284 -15.208 1.00 0.00 H new ATOM 502 N GLU A 32 -1.250 -8.358 -16.454 1.00 0.00 N ATOM 503 CA GLU A 32 0.005 -7.549 -16.404 1.00 0.00 C ATOM 504 C GLU A 32 -0.220 -6.013 -16.335 1.00 0.00 C ATOM 505 O GLU A 32 0.210 -5.379 -15.364 1.00 0.00 O ATOM 506 CB GLU A 32 0.955 -7.823 -17.590 1.00 0.00 C ATOM 507 CG GLU A 32 1.488 -9.267 -17.608 1.00 0.00 C ATOM 508 CD GLU A 32 2.563 -9.437 -18.682 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.889 -8.442 -19.383 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.091 -10.574 -18.791 1.00 0.00 O ATOM 0 H GLU A 32 -1.408 -8.840 -17.339 1.00 0.00 H new ATOM 0 HA GLU A 32 0.460 -7.881 -15.471 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.429 -7.623 -18.524 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.796 -7.131 -17.543 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.901 -9.519 -16.631 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.668 -9.960 -17.796 1.00 0.00 H new ATOM 517 N ILE A 33 -0.883 -5.402 -17.333 1.00 0.00 N ATOM 518 CA ILE A 33 -1.040 -3.921 -17.374 1.00 0.00 C ATOM 519 C ILE A 33 -2.191 -3.421 -16.440 1.00 0.00 C ATOM 520 O ILE A 33 -1.956 -2.370 -15.830 1.00 0.00 O ATOM 521 CB ILE A 33 -1.269 -3.528 -18.844 1.00 0.00 C ATOM 522 CG1 ILE A 33 0.076 -3.366 -19.606 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.111 -2.246 -19.019 1.00 0.00 C ATOM 524 CD1 ILE A 33 0.911 -4.639 -19.790 1.00 0.00 C ATOM 0 H ILE A 33 -1.316 -5.894 -18.115 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.141 -3.437 -16.992 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.838 -4.353 -19.271 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.137 -2.951 -20.591 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.683 -2.632 -19.076 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.231 -2.031 -20.081 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.092 -2.390 -18.565 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.606 -1.410 -18.535 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.824 -4.400 -20.335 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.168 -5.050 -18.814 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.335 -5.374 -20.353 1.00 0.00 H new ATOM 536 N ARG A 34 -3.395 -4.059 -16.288 1.00 0.00 N ATOM 537 CA ARG A 34 -4.351 -3.576 -15.251 1.00 0.00 C ATOM 538 C ARG A 34 -3.893 -4.011 -13.829 1.00 0.00 C ATOM 539 O ARG A 34 -3.940 -3.112 -12.988 1.00 0.00 O ATOM 540 CB ARG A 34 -5.849 -3.936 -15.436 1.00 0.00 C ATOM 541 CG ARG A 34 -6.717 -3.162 -14.422 1.00 0.00 C ATOM 542 CD ARG A 34 -8.237 -3.262 -14.575 1.00 0.00 C ATOM 543 NE ARG A 34 -8.813 -2.484 -13.426 1.00 0.00 N ATOM 544 CZ ARG A 34 -10.138 -2.210 -13.237 1.00 0.00 C ATOM 545 NH1 ARG A 34 -11.083 -2.620 -14.128 1.00 0.00 N ATOM 546 NH2 ARG A 34 -10.487 -1.506 -12.121 1.00 0.00 N ATOM 0 H ARG A 34 -3.709 -4.860 -16.836 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.312 -2.494 -15.379 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.164 -3.697 -16.452 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.991 -5.008 -15.302 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.456 -3.508 -13.422 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.441 -2.109 -14.477 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.562 -2.849 -15.530 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.566 -4.301 -14.548 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.159 -2.130 -12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.808 -3.144 -14.959 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.066 -2.403 -13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.768 -1.204 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.466 -1.282 -11.945 1.00 0.00 H new ATOM 560 N GLU A 35 -3.447 -5.253 -13.493 1.00 0.00 N ATOM 561 CA GLU A 35 -2.994 -5.525 -12.092 1.00 0.00 C ATOM 562 C GLU A 35 -1.775 -4.627 -11.673 1.00 0.00 C ATOM 563 O GLU A 35 -1.805 -4.146 -10.542 1.00 0.00 O ATOM 564 CB GLU A 35 -2.706 -7.005 -11.745 1.00 0.00 C ATOM 565 CG GLU A 35 -2.922 -7.386 -10.267 1.00 0.00 C ATOM 566 CD GLU A 35 -4.413 -7.366 -9.936 1.00 0.00 C ATOM 567 OE1 GLU A 35 -5.175 -8.121 -10.600 1.00 0.00 O ATOM 568 OE2 GLU A 35 -4.810 -6.601 -9.019 1.00 0.00 O ATOM 0 H GLU A 35 -3.391 -6.046 -14.132 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.870 -5.255 -11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.343 -7.637 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.674 -7.231 -12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.511 -8.377 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.388 -6.689 -9.621 1.00 0.00 H new ATOM 575 N ALA A 36 -0.779 -4.281 -12.540 1.00 0.00 N ATOM 576 CA ALA A 36 0.238 -3.249 -12.168 1.00 0.00 C ATOM 577 C ALA A 36 -0.330 -1.793 -11.999 1.00 0.00 C ATOM 578 O ALA A 36 -0.219 -1.220 -10.907 1.00 0.00 O ATOM 579 CB ALA A 36 1.374 -3.166 -13.207 1.00 0.00 C ATOM 0 H ALA A 36 -0.659 -4.684 -13.469 1.00 0.00 H new ATOM 0 HA ALA A 36 0.600 -3.594 -11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.092 -2.405 -12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.875 -4.131 -13.276 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.959 -2.902 -14.180 1.00 0.00 H new ATOM 585 N PHE A 37 -0.950 -1.183 -13.037 1.00 0.00 N ATOM 586 CA PHE A 37 -1.492 0.207 -12.932 1.00 0.00 C ATOM 587 C PHE A 37 -2.603 0.389 -11.844 1.00 0.00 C ATOM 588 O PHE A 37 -2.519 1.355 -11.089 1.00 0.00 O ATOM 589 CB PHE A 37 -2.114 0.643 -14.289 1.00 0.00 C ATOM 590 CG PHE A 37 -2.232 2.143 -14.454 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.296 2.868 -13.880 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.302 2.835 -15.248 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.404 4.250 -14.071 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.443 4.204 -15.492 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.479 4.917 -14.881 1.00 0.00 C ATOM 0 H PHE A 37 -1.090 -1.619 -13.949 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.635 0.818 -12.648 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.506 0.244 -15.101 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.104 0.198 -14.384 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.036 2.351 -13.286 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.466 2.301 -15.676 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.201 4.801 -13.594 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.753 4.710 -16.151 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.565 5.983 -15.034 1.00 0.00 H new ATOM 605 N ASP A 38 -3.578 -0.530 -11.723 1.00 0.00 N ATOM 606 CA ASP A 38 -4.548 -0.565 -10.587 1.00 0.00 C ATOM 607 C ASP A 38 -3.887 -0.798 -9.165 1.00 0.00 C ATOM 608 O ASP A 38 -4.366 -0.218 -8.190 1.00 0.00 O ATOM 609 CB ASP A 38 -5.614 -1.670 -10.846 1.00 0.00 C ATOM 610 CG ASP A 38 -6.992 -1.373 -10.253 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.145 -1.399 -9.008 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.935 -1.163 -11.070 1.00 0.00 O ATOM 0 H ASP A 38 -3.725 -1.274 -12.405 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.002 0.426 -10.552 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.718 -1.812 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.250 -2.612 -10.434 1.00 0.00 H new ATOM 617 N LEU A 39 -2.778 -1.579 -9.015 1.00 0.00 N ATOM 618 CA LEU A 39 -1.989 -1.652 -7.753 1.00 0.00 C ATOM 619 C LEU A 39 -1.443 -0.260 -7.270 1.00 0.00 C ATOM 620 O LEU A 39 -1.542 0.049 -6.078 1.00 0.00 O ATOM 621 CB LEU A 39 -0.784 -2.621 -7.873 1.00 0.00 C ATOM 622 CG LEU A 39 0.060 -2.844 -6.594 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.761 -3.453 -5.440 1.00 0.00 C ATOM 624 CD2 LEU A 39 1.299 -3.706 -6.908 1.00 0.00 C ATOM 0 H LEU A 39 -2.410 -2.170 -9.760 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.701 -2.023 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.158 -3.589 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.124 -2.247 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 39 0.392 -1.863 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.120 -3.588 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.583 -2.784 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.162 -4.419 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.880 -3.853 -5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.980 -4.674 -7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.913 -3.202 -7.654 1.00 0.00 H new ATOM 636 N PHE A 40 -0.888 0.565 -8.184 1.00 0.00 N ATOM 637 CA PHE A 40 -0.450 1.958 -7.859 1.00 0.00 C ATOM 638 C PHE A 40 -1.639 2.983 -7.837 1.00 0.00 C ATOM 639 O PHE A 40 -1.711 3.793 -6.907 1.00 0.00 O ATOM 640 CB PHE A 40 0.668 2.433 -8.801 1.00 0.00 C ATOM 641 CG PHE A 40 1.789 1.424 -8.715 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.530 1.278 -7.527 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.026 0.532 -9.772 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.464 0.243 -7.393 1.00 0.00 C ATOM 645 CE2 PHE A 40 2.942 -0.514 -9.634 1.00 0.00 C ATOM 646 CZ PHE A 40 3.663 -0.659 -8.444 1.00 0.00 C ATOM 0 H PHE A 40 -0.729 0.299 -9.156 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.049 1.920 -6.846 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.300 2.512 -9.824 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.020 3.423 -8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.377 1.970 -6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.494 0.656 -10.704 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.030 0.141 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.093 -1.210 -10.446 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.372 -1.466 -8.337 1.00 0.00 H new ATOM 656 N ASP A 41 -2.603 2.939 -8.784 1.00 0.00 N ATOM 657 CA ASP A 41 -3.869 3.727 -8.709 1.00 0.00 C ATOM 658 C ASP A 41 -4.920 3.032 -7.760 1.00 0.00 C ATOM 659 O ASP A 41 -5.941 2.494 -8.196 1.00 0.00 O ATOM 660 CB ASP A 41 -4.434 3.817 -10.159 1.00 0.00 C ATOM 661 CG ASP A 41 -5.423 4.955 -10.379 1.00 0.00 C ATOM 662 OD1 ASP A 41 -6.498 4.961 -9.728 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.124 5.831 -11.236 1.00 0.00 O ATOM 0 H ASP A 41 -2.533 2.361 -9.621 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.672 4.717 -8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.602 3.935 -10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.923 2.874 -10.405 1.00 0.00 H new ATOM 668 N ALA A 42 -4.653 3.038 -6.436 1.00 0.00 N ATOM 669 CA ALA A 42 -5.448 2.228 -5.457 1.00 0.00 C ATOM 670 C ALA A 42 -6.810 2.844 -4.988 1.00 0.00 C ATOM 671 O ALA A 42 -7.759 2.091 -4.757 1.00 0.00 O ATOM 672 CB ALA A 42 -4.627 1.954 -4.183 1.00 0.00 C ATOM 0 H ALA A 42 -3.903 3.585 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.680 1.325 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.223 1.365 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.723 1.403 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.353 2.900 -3.716 1.00 0.00 H new ATOM 678 N ASP A 43 -6.915 4.176 -4.843 1.00 0.00 N ATOM 679 CA ASP A 43 -8.207 4.870 -4.561 1.00 0.00 C ATOM 680 C ASP A 43 -9.179 5.027 -5.798 1.00 0.00 C ATOM 681 O ASP A 43 -10.398 5.086 -5.610 1.00 0.00 O ATOM 682 CB ASP A 43 -7.914 6.289 -3.995 1.00 0.00 C ATOM 683 CG ASP A 43 -9.135 6.907 -3.307 1.00 0.00 C ATOM 684 OD1 ASP A 43 -9.635 6.289 -2.329 1.00 0.00 O ATOM 685 OD2 ASP A 43 -9.562 8.010 -3.735 1.00 0.00 O ATOM 0 H ASP A 43 -6.118 4.809 -4.915 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.722 4.227 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.090 6.230 -3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.589 6.941 -4.806 1.00 0.00 H new ATOM 690 N GLY A 44 -8.659 5.098 -7.041 1.00 0.00 N ATOM 691 CA GLY A 44 -9.457 5.415 -8.258 1.00 0.00 C ATOM 692 C GLY A 44 -9.236 6.871 -8.708 1.00 0.00 C ATOM 693 O GLY A 44 -10.055 7.741 -8.405 1.00 0.00 O ATOM 0 H GLY A 44 -7.671 4.938 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.179 4.737 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.515 5.252 -8.054 1.00 0.00 H new ATOM 697 N THR A 45 -8.129 7.128 -9.420 1.00 0.00 N ATOM 698 CA THR A 45 -7.668 8.513 -9.736 1.00 0.00 C ATOM 699 C THR A 45 -7.517 8.735 -11.274 1.00 0.00 C ATOM 700 O THR A 45 -8.334 9.461 -11.849 1.00 0.00 O ATOM 701 CB THR A 45 -6.410 8.936 -8.978 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.366 7.977 -9.087 1.00 0.00 O ATOM 703 CG2 THR A 45 -6.772 9.104 -7.486 1.00 0.00 C ATOM 0 H THR A 45 -7.524 6.398 -9.796 1.00 0.00 H new ATOM 0 HA THR A 45 -8.459 9.171 -9.377 1.00 0.00 H new ATOM 0 HB THR A 45 -6.052 9.869 -9.414 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.582 8.289 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.886 9.406 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.543 9.867 -7.382 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.143 8.157 -7.093 1.00 0.00 H new ATOM 711 N GLY A 46 -6.476 8.196 -11.943 1.00 0.00 N ATOM 712 CA GLY A 46 -6.196 8.547 -13.372 1.00 0.00 C ATOM 713 C GLY A 46 -4.738 8.330 -13.821 1.00 0.00 C ATOM 714 O GLY A 46 -4.493 7.542 -14.740 1.00 0.00 O ATOM 0 H GLY A 46 -5.821 7.528 -11.536 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.850 7.953 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.458 9.593 -13.532 1.00 0.00 H new ATOM 718 N THR A 47 -3.794 9.087 -13.233 1.00 0.00 N ATOM 719 CA THR A 47 -2.343 8.974 -13.569 1.00 0.00 C ATOM 720 C THR A 47 -1.528 8.301 -12.418 1.00 0.00 C ATOM 721 O THR A 47 -1.753 8.533 -11.227 1.00 0.00 O ATOM 722 CB THR A 47 -1.711 10.321 -13.902 1.00 0.00 C ATOM 723 OG1 THR A 47 -2.000 11.314 -12.921 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.215 10.816 -15.273 1.00 0.00 C ATOM 0 H THR A 47 -4.000 9.787 -12.521 1.00 0.00 H new ATOM 0 HA THR A 47 -2.301 8.343 -14.457 1.00 0.00 H new ATOM 0 HB THR A 47 -0.632 10.168 -13.922 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.574 12.159 -13.175 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.758 11.779 -15.503 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.944 10.093 -16.043 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.299 10.926 -15.244 1.00 0.00 H new ATOM 732 N ILE A 48 -0.521 7.518 -12.829 1.00 0.00 N ATOM 733 CA ILE A 48 0.523 6.948 -11.930 1.00 0.00 C ATOM 734 C ILE A 48 1.845 7.742 -12.232 1.00 0.00 C ATOM 735 O ILE A 48 2.242 7.930 -13.391 1.00 0.00 O ATOM 736 CB ILE A 48 0.770 5.457 -12.225 1.00 0.00 C ATOM 737 CG1 ILE A 48 1.855 4.831 -11.313 1.00 0.00 C ATOM 738 CG2 ILE A 48 1.096 5.215 -13.720 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.222 3.397 -11.711 1.00 0.00 C ATOM 0 H ILE A 48 -0.396 7.252 -13.806 1.00 0.00 H new ATOM 0 HA ILE A 48 0.205 7.033 -10.891 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.166 4.948 -11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.751 5.451 -11.346 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.502 4.836 -10.282 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.264 4.151 -13.888 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.261 5.552 -14.334 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.993 5.771 -13.991 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.986 3.016 -11.034 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.336 2.765 -11.651 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.605 3.389 -12.732 1.00 0.00 H new ATOM 751 N ASP A 49 2.554 8.159 -11.171 1.00 0.00 N ATOM 752 CA ASP A 49 3.710 9.109 -11.296 1.00 0.00 C ATOM 753 C ASP A 49 5.089 8.358 -11.273 1.00 0.00 C ATOM 754 O ASP A 49 5.187 7.213 -10.826 1.00 0.00 O ATOM 755 CB ASP A 49 3.759 10.200 -10.193 1.00 0.00 C ATOM 756 CG ASP A 49 2.635 11.216 -10.402 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.448 10.844 -10.224 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.953 12.386 -10.751 1.00 0.00 O ATOM 0 H ASP A 49 2.361 7.864 -10.214 1.00 0.00 H new ATOM 0 HA ASP A 49 3.544 9.594 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.663 9.738 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.724 10.706 -10.215 1.00 0.00 H new ATOM 763 N VAL A 50 6.168 9.004 -11.775 1.00 0.00 N ATOM 764 CA VAL A 50 7.509 8.354 -12.027 1.00 0.00 C ATOM 765 C VAL A 50 8.129 7.504 -10.860 1.00 0.00 C ATOM 766 O VAL A 50 8.741 6.476 -11.156 1.00 0.00 O ATOM 767 CB VAL A 50 8.549 9.336 -12.549 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.204 9.658 -14.018 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.602 10.602 -11.665 1.00 0.00 C ATOM 0 H VAL A 50 6.149 9.993 -12.022 1.00 0.00 H new ATOM 0 HA VAL A 50 7.250 7.628 -12.798 1.00 0.00 H new ATOM 0 HB VAL A 50 9.546 8.898 -12.507 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.935 10.361 -14.418 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.224 8.740 -14.606 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.209 10.100 -14.070 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.352 11.289 -12.057 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.627 11.089 -11.668 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.865 10.323 -10.645 1.00 0.00 H new ATOM 779 N LYS A 51 7.974 7.863 -9.569 1.00 0.00 N ATOM 780 CA LYS A 51 8.354 6.975 -8.421 1.00 0.00 C ATOM 781 C LYS A 51 7.627 5.572 -8.426 1.00 0.00 C ATOM 782 O LYS A 51 8.269 4.517 -8.506 1.00 0.00 O ATOM 783 CB LYS A 51 8.014 7.641 -7.066 1.00 0.00 C ATOM 784 CG LYS A 51 8.641 9.033 -6.872 1.00 0.00 C ATOM 785 CD LYS A 51 8.205 9.689 -5.551 1.00 0.00 C ATOM 786 CE LYS A 51 8.742 11.117 -5.380 1.00 0.00 C ATOM 787 NZ LYS A 51 8.250 11.732 -4.123 1.00 0.00 N ATOM 0 H LYS A 51 7.588 8.762 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 51 9.426 6.821 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.931 7.727 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.348 6.989 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.727 8.946 -6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.358 9.676 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.116 9.709 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.548 9.076 -4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.832 11.100 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.436 11.727 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.630 12.696 -4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.211 11.770 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.564 11.162 -3.312 1.00 0.00 H new ATOM 801 N GLU A 52 6.282 5.579 -8.372 1.00 0.00 N ATOM 802 CA GLU A 52 5.438 4.354 -8.484 1.00 0.00 C ATOM 803 C GLU A 52 5.490 3.698 -9.908 1.00 0.00 C ATOM 804 O GLU A 52 5.495 2.469 -9.983 1.00 0.00 O ATOM 805 CB GLU A 52 3.985 4.696 -8.121 1.00 0.00 C ATOM 806 CG GLU A 52 3.892 5.297 -6.708 1.00 0.00 C ATOM 807 CD GLU A 52 2.434 5.585 -6.375 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.652 4.604 -6.281 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.095 6.786 -6.210 1.00 0.00 O ATOM 0 H GLU A 52 5.739 6.434 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 52 5.844 3.622 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.583 5.403 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.372 3.797 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.313 4.605 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.477 6.215 -6.652 1.00 0.00 H new ATOM 816 N LEU A 53 5.596 4.462 -11.029 1.00 0.00 N ATOM 817 CA LEU A 53 5.878 3.883 -12.378 1.00 0.00 C ATOM 818 C LEU A 53 7.237 3.083 -12.432 1.00 0.00 C ATOM 819 O LEU A 53 7.294 2.048 -13.092 1.00 0.00 O ATOM 820 CB LEU A 53 5.887 4.989 -13.460 1.00 0.00 C ATOM 821 CG LEU A 53 5.912 4.511 -14.932 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.699 3.635 -15.304 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.025 5.720 -15.879 1.00 0.00 C ATOM 0 H LEU A 53 5.491 5.477 -11.029 1.00 0.00 H new ATOM 0 HA LEU A 53 5.073 3.176 -12.579 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.005 5.613 -13.318 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.757 5.624 -13.292 1.00 0.00 H new ATOM 0 HG LEU A 53 6.791 3.877 -15.046 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.775 3.332 -16.348 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.682 2.749 -14.670 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.781 4.204 -15.157 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.042 5.373 -16.912 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.169 6.379 -15.732 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.944 6.265 -15.665 1.00 0.00 H new ATOM 835 N LYS A 54 8.316 3.508 -11.733 1.00 0.00 N ATOM 836 CA LYS A 54 9.557 2.692 -11.554 1.00 0.00 C ATOM 837 C LYS A 54 9.303 1.376 -10.740 1.00 0.00 C ATOM 838 O LYS A 54 9.821 0.323 -11.116 1.00 0.00 O ATOM 839 CB LYS A 54 10.679 3.473 -10.821 1.00 0.00 C ATOM 840 CG LYS A 54 11.301 4.606 -11.661 1.00 0.00 C ATOM 841 CD LYS A 54 12.356 4.150 -12.685 1.00 0.00 C ATOM 842 CE LYS A 54 13.720 3.756 -12.094 1.00 0.00 C ATOM 843 NZ LYS A 54 14.384 4.910 -11.442 1.00 0.00 N ATOM 0 H LYS A 54 8.359 4.419 -11.277 1.00 0.00 H new ATOM 0 HA LYS A 54 9.869 2.448 -12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.273 3.896 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.465 2.775 -10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.503 5.126 -12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.759 5.329 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.958 3.298 -13.237 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.509 4.953 -13.406 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.585 2.955 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.361 3.365 -12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.370 4.664 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.367 5.728 -12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.881 5.149 -10.563 1.00 0.00 H new ATOM 857 N VAL A 55 8.520 1.416 -9.636 1.00 0.00 N ATOM 858 CA VAL A 55 8.046 0.156 -8.945 1.00 0.00 C ATOM 859 C VAL A 55 7.205 -0.773 -9.923 1.00 0.00 C ATOM 860 O VAL A 55 7.343 -2.003 -9.897 1.00 0.00 O ATOM 861 CB VAL A 55 7.255 0.431 -7.671 1.00 0.00 C ATOM 862 CG1 VAL A 55 7.041 -0.878 -6.878 1.00 0.00 C ATOM 863 CG2 VAL A 55 8.019 1.456 -6.807 1.00 0.00 C ATOM 0 H VAL A 55 8.199 2.280 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 55 8.953 -0.373 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 55 6.278 0.836 -7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.475 -0.666 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.489 -1.589 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.008 -1.304 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.456 1.655 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.999 1.055 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.143 2.383 -7.367 1.00 0.00 H new ATOM 873 N ALA A 56 6.391 -0.163 -10.814 1.00 0.00 N ATOM 874 CA ALA A 56 5.715 -0.883 -11.933 1.00 0.00 C ATOM 875 C ALA A 56 6.714 -1.581 -12.922 1.00 0.00 C ATOM 876 O ALA A 56 6.483 -2.727 -13.297 1.00 0.00 O ATOM 877 CB ALA A 56 4.753 -0.004 -12.757 1.00 0.00 C ATOM 0 H ALA A 56 6.181 0.835 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 56 5.132 -1.644 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.303 -0.602 -13.550 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.970 0.386 -12.107 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.306 0.826 -13.197 1.00 0.00 H new ATOM 883 N MET A 57 7.845 -0.929 -13.269 1.00 0.00 N ATOM 884 CA MET A 57 8.979 -1.554 -14.022 1.00 0.00 C ATOM 885 C MET A 57 9.664 -2.765 -13.303 1.00 0.00 C ATOM 886 O MET A 57 9.991 -3.746 -13.971 1.00 0.00 O ATOM 887 CB MET A 57 10.168 -0.611 -14.318 1.00 0.00 C ATOM 888 CG MET A 57 9.736 0.740 -14.871 1.00 0.00 C ATOM 889 SD MET A 57 11.107 1.761 -15.475 1.00 0.00 S ATOM 890 CE MET A 57 10.110 3.275 -15.489 1.00 0.00 C ATOM 0 H MET A 57 8.008 0.051 -13.038 1.00 0.00 H new ATOM 0 HA MET A 57 8.451 -1.852 -14.928 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.738 -0.456 -13.402 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.836 -1.092 -15.032 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.030 0.579 -15.686 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.205 1.287 -14.092 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.768 4.144 -15.464 1.00 0.00 H new ATOM 0 HE2 MET A 57 9.505 3.304 -16.395 1.00 0.00 H new ATOM 0 HE3 MET A 57 9.457 3.289 -14.616 1.00 0.00 H new ATOM 900 N ARG A 58 9.868 -2.719 -11.966 1.00 0.00 N ATOM 901 CA ARG A 58 10.309 -3.908 -11.165 1.00 0.00 C ATOM 902 C ARG A 58 9.359 -5.156 -11.327 1.00 0.00 C ATOM 903 O ARG A 58 9.848 -6.235 -11.664 1.00 0.00 O ATOM 904 CB ARG A 58 10.369 -3.625 -9.645 1.00 0.00 C ATOM 905 CG ARG A 58 11.222 -2.411 -9.251 1.00 0.00 C ATOM 906 CD ARG A 58 11.163 -2.156 -7.738 1.00 0.00 C ATOM 907 NE ARG A 58 11.832 -0.850 -7.425 1.00 0.00 N ATOM 908 CZ ARG A 58 11.722 -0.235 -6.207 1.00 0.00 C ATOM 909 NH1 ARG A 58 11.001 -0.807 -5.199 1.00 0.00 N ATOM 910 NH2 ARG A 58 12.341 0.966 -6.000 1.00 0.00 N ATOM 0 H ARG A 58 9.737 -1.874 -11.409 1.00 0.00 H new ATOM 0 HA ARG A 58 11.301 -4.121 -11.565 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.354 -3.473 -9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.762 -4.507 -9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.256 -2.576 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.871 -1.528 -9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.126 -2.136 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.656 -2.967 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 58 12.392 -0.402 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.537 -1.703 -5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.927 -0.339 -4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.880 1.398 -6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.264 1.430 -5.095 1.00 0.00 H new ATOM 924 N ALA A 59 8.023 -5.009 -11.139 1.00 0.00 N ATOM 925 CA ALA A 59 7.043 -6.086 -11.486 1.00 0.00 C ATOM 926 C ALA A 59 6.883 -6.470 -13.007 1.00 0.00 C ATOM 927 O ALA A 59 6.778 -7.659 -13.313 1.00 0.00 O ATOM 928 CB ALA A 59 5.632 -5.705 -10.999 1.00 0.00 C ATOM 0 H ALA A 59 7.597 -4.166 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 59 7.477 -6.952 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.931 -6.498 -11.259 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.644 -5.571 -9.917 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.321 -4.775 -11.476 1.00 0.00 H new ATOM 934 N LEU A 60 6.828 -5.503 -13.943 1.00 0.00 N ATOM 935 CA LEU A 60 6.646 -5.769 -15.418 1.00 0.00 C ATOM 936 C LEU A 60 7.909 -6.199 -16.236 1.00 0.00 C ATOM 937 O LEU A 60 7.761 -6.672 -17.365 1.00 0.00 O ATOM 938 CB LEU A 60 6.057 -4.544 -16.158 1.00 0.00 C ATOM 939 CG LEU A 60 4.630 -4.162 -15.704 1.00 0.00 C ATOM 940 CD1 LEU A 60 4.194 -2.828 -16.335 1.00 0.00 C ATOM 941 CD2 LEU A 60 3.597 -5.263 -16.012 1.00 0.00 C ATOM 0 H LEU A 60 6.906 -4.511 -13.718 1.00 0.00 H new ATOM 0 HA LEU A 60 5.971 -6.624 -15.389 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.716 -3.689 -16.007 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.044 -4.751 -17.228 1.00 0.00 H new ATOM 0 HG LEU A 60 4.666 -4.048 -14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.187 -2.580 -16.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.882 -2.039 -16.030 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.204 -2.919 -17.421 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.612 -4.943 -15.673 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.569 -5.445 -17.086 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.878 -6.181 -15.495 1.00 0.00 H new ATOM 953 N GLY A 61 9.123 -5.935 -15.736 1.00 0.00 N ATOM 954 CA GLY A 61 10.395 -6.094 -16.499 1.00 0.00 C ATOM 955 C GLY A 61 10.652 -7.456 -17.176 1.00 0.00 C ATOM 956 O GLY A 61 10.742 -7.487 -18.400 1.00 0.00 O ATOM 0 H GLY A 61 9.265 -5.601 -14.783 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.424 -5.324 -17.270 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.223 -5.895 -15.819 1.00 0.00 H new ATOM 960 N PHE A 62 10.713 -8.548 -16.395 1.00 0.00 N ATOM 961 CA PHE A 62 10.803 -9.962 -16.894 1.00 0.00 C ATOM 962 C PHE A 62 12.073 -10.279 -17.758 1.00 0.00 C ATOM 963 O PHE A 62 12.397 -9.543 -18.692 1.00 0.00 O ATOM 964 CB PHE A 62 9.567 -10.464 -17.694 1.00 0.00 C ATOM 965 CG PHE A 62 8.266 -10.261 -16.957 1.00 0.00 C ATOM 966 CD1 PHE A 62 8.099 -10.663 -15.617 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.170 -9.691 -17.630 1.00 0.00 C ATOM 968 CE1 PHE A 62 6.876 -10.472 -14.963 1.00 0.00 C ATOM 969 CE2 PHE A 62 5.949 -9.496 -16.976 1.00 0.00 C ATOM 970 CZ PHE A 62 5.801 -9.884 -15.639 1.00 0.00 C ATOM 0 H PHE A 62 10.702 -8.489 -15.377 1.00 0.00 H new ATOM 0 HA PHE A 62 10.861 -10.500 -15.948 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.523 -9.941 -18.649 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.691 -11.524 -17.916 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.922 -11.123 -15.090 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.273 -9.400 -18.665 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.762 -10.779 -13.934 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.120 -9.046 -17.503 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.860 -9.730 -15.131 1.00 0.00 H new ATOM 980 N GLU A 63 12.751 -11.414 -17.519 1.00 0.00 N ATOM 981 CA GLU A 63 13.914 -11.852 -18.379 1.00 0.00 C ATOM 982 C GLU A 63 13.854 -13.502 -18.775 1.00 0.00 C ATOM 983 O GLU A 63 14.496 -13.725 -17.747 1.00 0.00 O ATOM 984 CB GLU A 63 15.298 -11.447 -17.787 1.00 0.00 C ATOM 985 CG GLU A 63 15.533 -9.924 -17.753 1.00 0.00 C ATOM 986 CD GLU A 63 16.918 -9.632 -17.184 1.00 0.00 C ATOM 987 OE1 GLU A 63 17.918 -10.073 -17.811 1.00 0.00 O ATOM 988 OE2 GLU A 63 16.994 -8.967 -16.118 1.00 0.00 O ATOM 0 H GLU A 63 12.534 -12.052 -16.753 1.00 0.00 H new ATOM 0 HA GLU A 63 13.806 -11.301 -19.313 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.380 -11.842 -16.774 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.087 -11.915 -18.376 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.447 -9.510 -18.758 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.769 -9.442 -17.143 1.00 0.00 H new ATOM 995 N PRO A 64 13.157 -13.136 -19.902 1.00 0.00 N ATOM 996 CA PRO A 64 12.469 -13.192 -21.264 1.00 0.00 C ATOM 997 C PRO A 64 12.115 -11.711 -21.732 1.00 0.00 C ATOM 998 O PRO A 64 10.946 -11.360 -21.946 1.00 0.00 O ATOM 999 CB PRO A 64 11.291 -14.177 -21.352 1.00 0.00 C ATOM 1000 CG PRO A 64 11.250 -14.745 -19.967 1.00 0.00 C ATOM 1001 CD PRO A 64 11.840 -13.552 -19.228 1.00 0.00 C ATOM 0 HA PRO A 64 13.175 -13.620 -21.975 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.359 -13.675 -21.614 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.460 -14.948 -22.104 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.240 -14.991 -19.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.849 -15.649 -19.861 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.136 -12.720 -19.236 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.018 -13.809 -18.184 1.00 0.00 H new ATOM 1009 N LYS A 65 13.111 -10.823 -21.962 1.00 0.00 N ATOM 1010 CA LYS A 65 12.880 -9.476 -22.582 1.00 0.00 C ATOM 1011 C LYS A 65 14.219 -8.839 -23.087 1.00 0.00 C ATOM 1012 O LYS A 65 15.280 -9.014 -22.478 1.00 0.00 O ATOM 1013 CB LYS A 65 12.142 -8.464 -21.661 1.00 0.00 C ATOM 1014 CG LYS A 65 11.437 -7.314 -22.409 1.00 0.00 C ATOM 1015 CD LYS A 65 10.470 -6.488 -21.538 1.00 0.00 C ATOM 1016 CE LYS A 65 9.187 -7.216 -21.083 1.00 0.00 C ATOM 1017 NZ LYS A 65 8.362 -7.670 -22.224 1.00 0.00 N ATOM 0 H LYS A 65 14.087 -11.006 -21.731 1.00 0.00 H new ATOM 0 HA LYS A 65 12.220 -9.674 -23.426 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.402 -9.003 -21.070 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.861 -8.038 -20.961 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.194 -6.648 -22.823 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.884 -7.730 -23.251 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.007 -6.151 -20.652 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.181 -5.596 -22.094 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.458 -8.075 -20.469 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.597 -6.549 -20.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.421 -7.951 -21.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.264 -6.896 -22.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.821 -8.483 -22.682 1.00 0.00 H new ATOM 1031 N LYS A 66 14.155 -8.067 -24.191 1.00 0.00 N ATOM 1032 CA LYS A 66 15.311 -7.264 -24.688 1.00 0.00 C ATOM 1033 C LYS A 66 15.326 -5.821 -24.070 1.00 0.00 C ATOM 1034 O LYS A 66 16.089 -5.591 -23.128 1.00 0.00 O ATOM 1035 CB LYS A 66 15.326 -7.173 -26.235 1.00 0.00 C ATOM 1036 CG LYS A 66 16.597 -6.519 -26.812 1.00 0.00 C ATOM 1037 CD LYS A 66 16.633 -6.450 -28.350 1.00 0.00 C ATOM 1038 CE LYS A 66 16.689 -7.809 -29.070 1.00 0.00 C ATOM 1039 NZ LYS A 66 17.879 -8.595 -28.666 1.00 0.00 N ATOM 0 H LYS A 66 13.315 -7.977 -24.763 1.00 0.00 H new ATOM 0 HA LYS A 66 16.210 -7.788 -24.365 1.00 0.00 H new ATOM 0 HB2 LYS A 66 15.226 -8.176 -26.649 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.456 -6.605 -26.564 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.685 -5.509 -26.413 1.00 0.00 H new ATOM 0 HG3 LYS A 66 17.467 -7.076 -26.465 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.749 -5.912 -28.694 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.501 -5.863 -28.650 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.785 -8.376 -28.847 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.707 -7.649 -30.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.938 -9.457 -29.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.737 -8.024 -28.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.798 -8.856 -27.663 1.00 0.00 H new ATOM 1053 N GLU A 67 14.510 -4.869 -24.571 1.00 0.00 N ATOM 1054 CA GLU A 67 14.370 -3.514 -23.946 1.00 0.00 C ATOM 1055 C GLU A 67 12.986 -2.885 -24.323 1.00 0.00 C ATOM 1056 O GLU A 67 12.627 -2.783 -25.501 1.00 0.00 O ATOM 1057 CB GLU A 67 15.516 -2.507 -24.232 1.00 0.00 C ATOM 1058 CG GLU A 67 15.809 -2.206 -25.714 1.00 0.00 C ATOM 1059 CD GLU A 67 16.913 -1.158 -25.779 1.00 0.00 C ATOM 1060 OE1 GLU A 67 18.037 -1.436 -25.284 1.00 0.00 O ATOM 1061 OE2 GLU A 67 16.657 -0.033 -26.286 1.00 0.00 O ATOM 0 H GLU A 67 13.935 -5.002 -25.403 1.00 0.00 H new ATOM 0 HA GLU A 67 14.436 -3.700 -22.874 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.278 -1.568 -23.733 1.00 0.00 H new ATOM 0 HB3 GLU A 67 16.428 -2.889 -23.774 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.116 -3.114 -26.233 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.910 -1.843 -26.213 1.00 0.00 H new ATOM 1068 N GLU A 68 12.223 -2.461 -23.301 1.00 0.00 N ATOM 1069 CA GLU A 68 10.930 -1.739 -23.482 1.00 0.00 C ATOM 1070 C GLU A 68 10.811 -0.469 -22.599 1.00 0.00 C ATOM 1071 O GLU A 68 10.628 0.634 -23.127 1.00 0.00 O ATOM 1072 CB GLU A 68 9.684 -2.616 -23.210 1.00 0.00 C ATOM 1073 CG GLU A 68 9.455 -3.675 -24.303 1.00 0.00 C ATOM 1074 CD GLU A 68 8.121 -4.375 -24.066 1.00 0.00 C ATOM 1075 OE1 GLU A 68 7.083 -3.665 -23.998 1.00 0.00 O ATOM 1076 OE2 GLU A 68 8.121 -5.628 -23.940 1.00 0.00 O ATOM 0 H GLU A 68 12.476 -2.604 -22.323 1.00 0.00 H new ATOM 0 HA GLU A 68 10.948 -1.457 -24.535 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.797 -3.113 -22.246 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.804 -1.977 -23.138 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.461 -3.204 -25.286 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.266 -4.403 -24.294 1.00 0.00 H new ATOM 1083 N ILE A 69 10.877 -0.611 -21.256 1.00 0.00 N ATOM 1084 CA ILE A 69 10.550 0.514 -20.307 1.00 0.00 C ATOM 1085 C ILE A 69 11.490 1.770 -20.451 1.00 0.00 C ATOM 1086 O ILE A 69 11.039 2.901 -20.256 1.00 0.00 O ATOM 1087 CB ILE A 69 10.191 0.150 -18.876 1.00 0.00 C ATOM 1088 CG1 ILE A 69 9.763 -1.336 -18.699 1.00 0.00 C ATOM 1089 CG2 ILE A 69 9.054 1.116 -18.465 1.00 0.00 C ATOM 1090 CD1 ILE A 69 8.438 -1.731 -19.366 1.00 0.00 C ATOM 0 H ILE A 69 11.149 -1.478 -20.794 1.00 0.00 H new ATOM 0 HA ILE A 69 9.576 0.832 -20.680 1.00 0.00 H new ATOM 0 HB ILE A 69 11.069 0.253 -18.238 1.00 0.00 H new ATOM 0 HG12 ILE A 69 10.553 -1.972 -19.098 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.689 -1.549 -17.633 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.749 0.904 -17.440 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.408 2.145 -18.533 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.203 0.980 -19.132 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.237 -2.786 -19.180 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.629 -1.129 -18.953 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.506 -1.559 -20.440 1.00 0.00 H new ATOM 1102 N LYS A 70 12.764 1.556 -20.828 1.00 0.00 N ATOM 1103 CA LYS A 70 13.733 2.615 -21.233 1.00 0.00 C ATOM 1104 C LYS A 70 13.200 3.541 -22.401 1.00 0.00 C ATOM 1105 O LYS A 70 13.339 4.770 -22.325 1.00 0.00 O ATOM 1106 CB LYS A 70 14.979 1.863 -21.773 1.00 0.00 C ATOM 1107 CG LYS A 70 16.089 2.664 -22.477 1.00 0.00 C ATOM 1108 CD LYS A 70 17.049 1.711 -23.212 1.00 0.00 C ATOM 1109 CE LYS A 70 18.000 2.405 -24.197 1.00 0.00 C ATOM 1110 NZ LYS A 70 18.684 1.406 -25.051 1.00 0.00 N ATOM 0 H LYS A 70 13.168 0.620 -20.863 1.00 0.00 H new ATOM 0 HA LYS A 70 13.927 3.258 -20.374 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.435 1.337 -20.934 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.628 1.104 -22.472 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.648 3.365 -23.186 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.641 3.255 -21.746 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.641 1.171 -22.474 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.462 0.970 -23.754 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.441 3.103 -24.820 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.739 2.989 -23.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.464 1.864 -25.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.063 0.642 -24.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.006 1.010 -25.733 1.00 0.00 H new ATOM 1124 N LYS A 71 12.567 2.963 -23.449 1.00 0.00 N ATOM 1125 CA LYS A 71 11.840 3.744 -24.483 1.00 0.00 C ATOM 1126 C LYS A 71 10.461 4.330 -24.018 1.00 0.00 C ATOM 1127 O LYS A 71 10.159 5.439 -24.449 1.00 0.00 O ATOM 1128 CB LYS A 71 11.594 2.950 -25.788 1.00 0.00 C ATOM 1129 CG LYS A 71 11.482 3.881 -27.010 1.00 0.00 C ATOM 1130 CD LYS A 71 10.932 3.209 -28.276 1.00 0.00 C ATOM 1131 CE LYS A 71 11.103 4.062 -29.546 1.00 0.00 C ATOM 1132 NZ LYS A 71 10.646 5.459 -29.350 1.00 0.00 N ATOM 0 H LYS A 71 12.544 1.955 -23.603 1.00 0.00 H new ATOM 0 HA LYS A 71 12.523 4.573 -24.668 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.409 2.243 -25.943 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.679 2.365 -25.691 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.838 4.722 -26.752 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.468 4.290 -27.231 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.436 2.253 -28.419 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.873 2.993 -28.133 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.152 4.063 -29.842 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.542 3.610 -30.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.652 5.958 -30.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.681 5.457 -28.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.284 5.943 -28.686 1.00 0.00 H new ATOM 1146 N MET A 72 9.636 3.677 -23.162 1.00 0.00 N ATOM 1147 CA MET A 72 8.426 4.331 -22.549 1.00 0.00 C ATOM 1148 C MET A 72 8.772 5.670 -21.791 1.00 0.00 C ATOM 1149 O MET A 72 8.188 6.709 -22.130 1.00 0.00 O ATOM 1150 CB MET A 72 7.590 3.438 -21.595 1.00 0.00 C ATOM 1151 CG MET A 72 6.751 2.363 -22.319 1.00 0.00 C ATOM 1152 SD MET A 72 7.519 0.724 -22.444 1.00 0.00 S ATOM 1153 CE MET A 72 6.312 -0.080 -23.531 1.00 0.00 C ATOM 0 H MET A 72 9.774 2.708 -22.875 1.00 0.00 H new ATOM 0 HA MET A 72 7.810 4.536 -23.425 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.262 2.947 -20.891 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.924 4.072 -21.010 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.799 2.260 -21.799 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.528 2.718 -23.325 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.674 -1.070 -23.807 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.359 -0.174 -23.010 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.176 0.520 -24.431 1.00 0.00 H new ATOM 1163 N ILE A 73 9.754 5.681 -20.844 1.00 0.00 N ATOM 1164 CA ILE A 73 10.245 6.953 -20.205 1.00 0.00 C ATOM 1165 C ILE A 73 10.850 7.973 -21.233 1.00 0.00 C ATOM 1166 O ILE A 73 10.481 9.149 -21.208 1.00 0.00 O ATOM 1167 CB ILE A 73 11.248 6.685 -19.088 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.630 5.759 -18.010 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.754 8.006 -18.458 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.398 6.336 -17.296 1.00 0.00 C ATOM 0 H ILE A 73 10.220 4.839 -20.505 1.00 0.00 H new ATOM 0 HA ILE A 73 9.355 7.413 -19.775 1.00 0.00 H new ATOM 0 HB ILE A 73 12.108 6.177 -19.524 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.352 4.815 -18.478 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.392 5.533 -17.264 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.467 7.781 -17.665 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.241 8.611 -19.223 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.911 8.557 -18.042 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.035 5.619 -16.560 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.670 7.265 -16.794 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.614 6.535 -18.027 1.00 0.00 H new ATOM 1182 N SER A 74 11.725 7.525 -22.156 1.00 0.00 N ATOM 1183 CA SER A 74 12.275 8.387 -23.243 1.00 0.00 C ATOM 1184 C SER A 74 11.236 9.008 -24.246 1.00 0.00 C ATOM 1185 O SER A 74 11.501 10.069 -24.812 1.00 0.00 O ATOM 1186 CB SER A 74 13.315 7.639 -24.110 1.00 0.00 C ATOM 1187 OG SER A 74 14.363 7.116 -23.303 1.00 0.00 O ATOM 0 H SER A 74 12.073 6.566 -22.177 1.00 0.00 H new ATOM 0 HA SER A 74 12.712 9.203 -22.667 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.828 6.828 -24.652 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.729 8.317 -24.856 1.00 0.00 H new ATOM 0 HG SER A 74 14.066 6.282 -22.882 1.00 0.00 H new ATOM 1193 N GLU A 75 10.109 8.342 -24.535 1.00 0.00 N ATOM 1194 CA GLU A 75 9.056 8.847 -25.445 1.00 0.00 C ATOM 1195 C GLU A 75 8.090 9.877 -24.769 1.00 0.00 C ATOM 1196 O GLU A 75 7.875 10.943 -25.354 1.00 0.00 O ATOM 1197 CB GLU A 75 8.281 7.625 -26.015 1.00 0.00 C ATOM 1198 CG GLU A 75 7.492 7.859 -27.319 1.00 0.00 C ATOM 1199 CD GLU A 75 7.199 6.514 -27.991 1.00 0.00 C ATOM 1200 OE1 GLU A 75 8.176 5.813 -28.379 1.00 0.00 O ATOM 1201 OE2 GLU A 75 6.006 6.142 -28.148 1.00 0.00 O ATOM 0 H GLU A 75 9.895 7.426 -24.142 1.00 0.00 H new ATOM 0 HA GLU A 75 9.535 9.403 -26.251 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.994 6.819 -26.188 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.584 7.277 -25.252 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.559 8.380 -27.103 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.064 8.497 -27.993 1.00 0.00 H new ATOM 1208 N ILE A 76 7.432 9.554 -23.625 1.00 0.00 N ATOM 1209 CA ILE A 76 6.347 10.424 -23.049 1.00 0.00 C ATOM 1210 C ILE A 76 6.842 11.664 -22.212 1.00 0.00 C ATOM 1211 O ILE A 76 6.294 12.757 -22.368 1.00 0.00 O ATOM 1212 CB ILE A 76 5.347 9.605 -22.227 1.00 0.00 C ATOM 1213 CG1 ILE A 76 4.855 8.413 -23.093 1.00 0.00 C ATOM 1214 CG2 ILE A 76 4.175 10.494 -21.740 1.00 0.00 C ATOM 1215 CD1 ILE A 76 3.645 7.672 -22.518 1.00 0.00 C ATOM 0 H ILE A 76 7.623 8.712 -23.082 1.00 0.00 H new ATOM 0 HA ILE A 76 5.857 10.842 -23.928 1.00 0.00 H new ATOM 0 HB ILE A 76 5.830 9.213 -21.332 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.601 8.782 -24.087 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.675 7.705 -23.215 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.478 9.891 -21.159 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.564 11.300 -21.118 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.658 10.918 -22.601 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.368 6.856 -23.185 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.897 7.270 -21.537 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.807 8.363 -22.422 1.00 0.00 H new ATOM 1227 N ASP A 77 7.813 11.484 -21.305 1.00 0.00 N ATOM 1228 CA ASP A 77 8.230 12.506 -20.298 1.00 0.00 C ATOM 1229 C ASP A 77 9.786 12.699 -20.303 1.00 0.00 C ATOM 1230 O ASP A 77 10.537 11.835 -19.838 1.00 0.00 O ATOM 1231 CB ASP A 77 7.899 12.094 -18.835 1.00 0.00 C ATOM 1232 CG ASP A 77 6.395 12.043 -18.570 1.00 0.00 C ATOM 1233 OD1 ASP A 77 5.729 13.098 -18.740 1.00 0.00 O ATOM 1234 OD2 ASP A 77 5.900 10.972 -18.129 1.00 0.00 O ATOM 0 H ASP A 77 8.346 10.617 -21.238 1.00 0.00 H new ATOM 0 HA ASP A 77 7.685 13.405 -20.585 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.335 11.117 -18.628 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.362 12.802 -18.147 1.00 0.00 H new ATOM 1239 N LYS A 78 10.274 13.863 -20.777 1.00 0.00 N ATOM 1240 CA LYS A 78 11.732 14.203 -20.780 1.00 0.00 C ATOM 1241 C LYS A 78 12.123 15.668 -20.405 1.00 0.00 C ATOM 1242 O LYS A 78 13.182 15.882 -19.810 1.00 0.00 O ATOM 1243 CB LYS A 78 12.361 14.074 -22.192 1.00 0.00 C ATOM 1244 CG LYS A 78 12.402 12.656 -22.764 1.00 0.00 C ATOM 1245 CD LYS A 78 13.255 12.546 -24.043 1.00 0.00 C ATOM 1246 CE LYS A 78 12.583 13.056 -25.335 1.00 0.00 C ATOM 1247 NZ LYS A 78 12.679 14.524 -25.515 1.00 0.00 N ATOM 0 H LYS A 78 9.683 14.596 -21.168 1.00 0.00 H new ATOM 0 HA LYS A 78 12.089 13.498 -20.029 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.802 14.709 -22.880 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.379 14.462 -22.155 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.800 11.977 -22.009 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.385 12.329 -22.983 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.180 13.103 -23.891 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.531 11.501 -24.186 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.042 12.563 -26.192 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.532 12.768 -25.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.645 14.752 -26.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.884 14.986 -25.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.576 14.865 -25.113 1.00 0.00 H new ATOM 1261 N GLU A 79 11.346 16.664 -20.846 1.00 0.00 N ATOM 1262 CA GLU A 79 11.694 18.103 -20.766 1.00 0.00 C ATOM 1263 C GLU A 79 11.410 18.729 -19.375 1.00 0.00 C ATOM 1264 O GLU A 79 12.270 19.406 -18.807 1.00 0.00 O ATOM 1265 CB GLU A 79 10.890 18.928 -21.809 1.00 0.00 C ATOM 1266 CG GLU A 79 11.130 18.540 -23.290 1.00 0.00 C ATOM 1267 CD GLU A 79 10.552 17.172 -23.664 1.00 0.00 C ATOM 1268 OE1 GLU A 79 9.557 16.738 -23.021 1.00 0.00 O ATOM 1269 OE2 GLU A 79 11.130 16.518 -24.573 1.00 0.00 O ATOM 0 H GLU A 79 10.437 16.498 -21.279 1.00 0.00 H new ATOM 0 HA GLU A 79 12.765 18.144 -20.962 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.827 18.821 -21.591 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.137 19.982 -21.682 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.687 19.301 -23.933 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.202 18.539 -23.488 1.00 0.00 H new ATOM 1276 N GLY A 80 10.211 18.479 -18.829 1.00 0.00 N ATOM 1277 CA GLY A 80 9.902 18.849 -17.437 1.00 0.00 C ATOM 1278 C GLY A 80 8.566 18.320 -16.897 1.00 0.00 C ATOM 1279 O GLY A 80 7.764 19.102 -16.382 1.00 0.00 O ATOM 0 H GLY A 80 9.443 18.026 -19.324 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.704 18.484 -16.795 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.901 19.936 -17.359 1.00 0.00 H new ATOM 1283 N THR A 81 8.314 17.006 -17.009 1.00 0.00 N ATOM 1284 CA THR A 81 7.057 16.367 -16.567 1.00 0.00 C ATOM 1285 C THR A 81 7.457 15.011 -15.871 1.00 0.00 C ATOM 1286 O THR A 81 8.603 14.744 -15.486 1.00 0.00 O ATOM 1287 CB THR A 81 6.090 16.145 -17.732 1.00 0.00 C ATOM 1288 OG1 THR A 81 6.748 15.530 -18.837 1.00 0.00 O ATOM 1289 CG2 THR A 81 5.511 17.500 -18.191 1.00 0.00 C ATOM 0 H THR A 81 8.981 16.348 -17.412 1.00 0.00 H new ATOM 0 HA THR A 81 6.524 17.013 -15.869 1.00 0.00 H new ATOM 0 HB THR A 81 5.292 15.488 -17.386 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.282 14.702 -19.076 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.823 17.339 -19.021 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.978 17.967 -17.363 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.323 18.152 -18.514 1.00 0.00 H new ATOM 1297 N GLY A 82 6.449 14.184 -15.636 1.00 0.00 N ATOM 1298 CA GLY A 82 6.644 12.798 -15.102 1.00 0.00 C ATOM 1299 C GLY A 82 5.391 12.177 -14.486 1.00 0.00 C ATOM 1300 O GLY A 82 5.249 12.085 -13.266 1.00 0.00 O ATOM 0 H GLY A 82 5.473 14.429 -15.800 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.993 12.156 -15.911 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.432 12.819 -14.349 1.00 0.00 H new ATOM 1304 N LYS A 83 4.494 11.787 -15.376 1.00 0.00 N ATOM 1305 CA LYS A 83 3.204 11.115 -15.009 1.00 0.00 C ATOM 1306 C LYS A 83 2.615 10.350 -16.237 1.00 0.00 C ATOM 1307 O LYS A 83 2.442 10.930 -17.313 1.00 0.00 O ATOM 1308 CB LYS A 83 2.104 11.954 -14.301 1.00 0.00 C ATOM 1309 CG LYS A 83 1.648 13.261 -14.974 1.00 0.00 C ATOM 1310 CD LYS A 83 2.567 14.494 -14.828 1.00 0.00 C ATOM 1311 CE LYS A 83 2.674 15.106 -13.416 1.00 0.00 C ATOM 1312 NZ LYS A 83 3.562 14.352 -12.497 1.00 0.00 N ATOM 0 H LYS A 83 4.615 11.916 -16.381 1.00 0.00 H new ATOM 0 HA LYS A 83 3.513 10.431 -14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.227 11.319 -14.177 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.463 12.200 -13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.516 13.064 -16.038 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.668 13.522 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.568 14.215 -15.156 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.212 15.267 -15.510 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.041 16.129 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.677 15.160 -12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.212 15.012 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.986 13.860 -11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.111 13.655 -13.039 1.00 0.00 H new ATOM 1326 N MET A 84 2.267 9.061 -16.064 1.00 0.00 N ATOM 1327 CA MET A 84 1.625 8.246 -17.138 1.00 0.00 C ATOM 1328 C MET A 84 0.102 8.053 -16.859 1.00 0.00 C ATOM 1329 O MET A 84 -0.297 7.796 -15.720 1.00 0.00 O ATOM 1330 CB MET A 84 2.343 6.886 -17.289 1.00 0.00 C ATOM 1331 CG MET A 84 2.286 6.263 -18.696 1.00 0.00 C ATOM 1332 SD MET A 84 3.544 4.961 -18.918 1.00 0.00 S ATOM 1333 CE MET A 84 3.234 4.538 -20.659 1.00 0.00 C ATOM 0 H MET A 84 2.416 8.552 -15.193 1.00 0.00 H new ATOM 0 HA MET A 84 1.721 8.785 -18.080 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.389 7.013 -17.008 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.906 6.183 -16.580 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.295 5.842 -18.866 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.435 7.042 -19.444 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.218 3.454 -20.773 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.273 4.949 -20.968 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.025 4.957 -21.281 1.00 0.00 H new ATOM 1343 N ASN A 85 -0.744 8.150 -17.895 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.201 7.825 -17.823 1.00 0.00 C ATOM 1345 C ASN A 85 -2.499 6.399 -18.393 1.00 0.00 C ATOM 1346 O ASN A 85 -1.726 5.847 -19.182 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.103 8.864 -18.554 1.00 0.00 C ATOM 1348 CG ASN A 85 -2.633 9.122 -19.995 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -1.510 9.595 -20.202 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -3.498 8.806 -21.001 1.00 0.00 N ATOM 0 H ASN A 85 -0.447 8.458 -18.821 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.448 7.858 -16.762 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.132 8.505 -18.567 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.100 9.802 -17.998 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.228 8.958 -21.973 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.415 8.418 -20.782 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.636 5.787 -18.003 1.00 0.00 N ATOM 1358 CA PHE A 86 -3.966 4.388 -18.433 1.00 0.00 C ATOM 1359 C PHE A 86 -4.397 4.230 -19.933 1.00 0.00 C ATOM 1360 O PHE A 86 -4.380 3.111 -20.449 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.114 3.845 -17.530 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.273 2.341 -17.537 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.174 1.490 -17.326 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.548 1.768 -17.685 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -4.344 0.101 -17.270 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -6.722 0.379 -17.630 1.00 0.00 C ATOM 1367 CZ PHE A 86 -5.616 -0.456 -17.428 1.00 0.00 C ATOM 0 H PHE A 86 -4.338 6.219 -17.402 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.040 3.823 -18.328 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.936 4.172 -16.506 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.053 4.296 -17.850 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.187 1.912 -17.206 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.404 2.407 -17.843 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.491 -0.541 -17.105 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.708 -0.047 -17.743 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.746 -1.528 -17.394 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.837 5.306 -20.616 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.053 5.293 -22.085 1.00 0.00 C ATOM 1379 C GLY A 87 -3.714 5.185 -22.864 1.00 0.00 C ATOM 1380 O GLY A 87 -3.597 4.362 -23.775 1.00 0.00 O ATOM 0 H GLY A 87 -5.052 6.201 -20.175 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.696 4.454 -22.350 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.575 6.202 -22.384 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.694 5.960 -22.445 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.303 5.824 -22.926 1.00 0.00 C ATOM 1386 C ASP A 88 -0.635 4.474 -22.485 1.00 0.00 C ATOM 1387 O ASP A 88 -0.133 3.765 -23.352 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.386 6.986 -22.471 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.676 8.234 -23.308 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.849 8.696 -23.315 1.00 0.00 O ATOM 1391 OD2 ASP A 88 0.275 8.728 -23.969 1.00 0.00 O ATOM 0 H ASP A 88 -2.813 6.704 -21.758 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.396 5.845 -24.012 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.551 7.199 -21.415 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.660 6.700 -22.579 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.695 4.047 -21.202 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.249 2.687 -20.757 1.00 0.00 C ATOM 1398 C PHE A 89 -0.886 1.476 -21.530 1.00 0.00 C ATOM 1399 O PHE A 89 -0.172 0.520 -21.843 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.584 2.528 -19.247 1.00 0.00 C ATOM 1401 CG PHE A 89 0.328 1.598 -18.486 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.713 1.821 -18.453 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.203 0.584 -17.672 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.545 1.081 -17.604 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.626 -0.181 -16.841 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.998 0.082 -16.796 1.00 0.00 C ATOM 0 H PHE A 89 -1.051 4.626 -20.442 1.00 0.00 H new ATOM 0 HA PHE A 89 0.819 2.647 -20.969 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.550 3.511 -18.777 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.608 2.166 -19.154 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.145 2.576 -19.093 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.266 0.391 -17.687 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.606 1.282 -17.574 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.206 -0.972 -16.237 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.635 -0.488 -16.136 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.197 1.530 -21.851 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.871 0.481 -22.680 1.00 0.00 C ATOM 1418 C LEU A 90 -2.480 0.560 -24.195 1.00 0.00 C ATOM 1419 O LEU A 90 -2.062 -0.464 -24.741 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.419 0.584 -22.650 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.082 0.060 -21.355 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -6.549 0.525 -21.278 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -4.995 -1.474 -21.233 1.00 0.00 C ATOM 0 H LEU A 90 -2.817 2.283 -21.554 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.531 -0.452 -22.230 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.702 1.627 -22.789 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.822 0.029 -23.497 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.529 0.480 -20.515 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.002 0.148 -20.361 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.586 1.614 -21.280 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.098 0.142 -22.138 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.474 -1.793 -20.308 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.500 -1.936 -22.081 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.949 -1.779 -21.224 1.00 0.00 H new ATOM 1435 N THR A 91 -2.594 1.724 -24.874 1.00 0.00 N ATOM 1436 CA THR A 91 -2.152 1.894 -26.299 1.00 0.00 C ATOM 1437 C THR A 91 -0.624 1.642 -26.535 1.00 0.00 C ATOM 1438 O THR A 91 -0.267 0.912 -27.463 1.00 0.00 O ATOM 1439 CB THR A 91 -2.553 3.218 -26.934 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.027 4.339 -26.230 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.094 3.307 -26.959 1.00 0.00 C ATOM 0 H THR A 91 -2.989 2.571 -24.465 1.00 0.00 H new ATOM 0 HA THR A 91 -2.706 1.103 -26.805 1.00 0.00 H new ATOM 0 HB THR A 91 -2.141 3.246 -27.943 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.474 4.419 -25.362 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.397 4.251 -27.412 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.497 2.479 -27.543 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.478 3.253 -25.940 1.00 0.00 H new ATOM 1449 N VAL A 92 0.264 2.203 -25.690 1.00 0.00 N ATOM 1450 CA VAL A 92 1.736 1.957 -25.753 1.00 0.00 C ATOM 1451 C VAL A 92 2.086 0.455 -25.503 1.00 0.00 C ATOM 1452 O VAL A 92 2.633 -0.157 -26.419 1.00 0.00 O ATOM 1453 CB VAL A 92 2.508 2.883 -24.815 1.00 0.00 C ATOM 1454 CG1 VAL A 92 4.013 2.560 -24.790 1.00 0.00 C ATOM 1455 CG2 VAL A 92 2.289 4.339 -25.283 1.00 0.00 C ATOM 0 H VAL A 92 -0.009 2.840 -24.942 1.00 0.00 H new ATOM 0 HA VAL A 92 2.054 2.194 -26.768 1.00 0.00 H new ATOM 0 HB VAL A 92 2.136 2.741 -23.800 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.521 3.244 -24.110 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.159 1.535 -24.450 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.426 2.672 -25.792 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.832 5.018 -24.626 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.654 4.452 -26.304 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.226 4.576 -25.250 1.00 0.00 H new ATOM 1465 N MET A 93 1.764 -0.177 -24.352 1.00 0.00 N ATOM 1466 CA MET A 93 2.117 -1.622 -24.137 1.00 0.00 C ATOM 1467 C MET A 93 1.492 -2.628 -25.173 1.00 0.00 C ATOM 1468 O MET A 93 2.219 -3.512 -25.630 1.00 0.00 O ATOM 1469 CB MET A 93 1.831 -2.125 -22.704 1.00 0.00 C ATOM 1470 CG MET A 93 2.906 -1.716 -21.669 1.00 0.00 C ATOM 1471 SD MET A 93 3.063 0.062 -21.302 1.00 0.00 S ATOM 1472 CE MET A 93 4.473 -0.145 -20.174 1.00 0.00 C ATOM 0 H MET A 93 1.276 0.263 -23.572 1.00 0.00 H new ATOM 0 HA MET A 93 3.194 -1.618 -24.303 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.864 -1.739 -22.380 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.751 -3.212 -22.720 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.694 -2.238 -20.736 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.872 -2.076 -22.023 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.780 0.829 -19.792 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.182 -0.786 -19.342 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.304 -0.602 -20.711 1.00 0.00 H new ATOM 1482 N THR A 94 0.217 -2.486 -25.599 1.00 0.00 N ATOM 1483 CA THR A 94 -0.347 -3.281 -26.740 1.00 0.00 C ATOM 1484 C THR A 94 0.394 -3.056 -28.109 1.00 0.00 C ATOM 1485 O THR A 94 0.884 -4.037 -28.671 1.00 0.00 O ATOM 1486 CB THR A 94 -1.834 -3.016 -26.934 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.505 -3.021 -25.677 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.458 -4.109 -27.830 1.00 0.00 C ATOM 0 H THR A 94 -0.447 -1.835 -25.180 1.00 0.00 H new ATOM 0 HA THR A 94 -0.188 -4.319 -26.449 1.00 0.00 H new ATOM 0 HB THR A 94 -1.946 -2.041 -27.407 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.367 -2.160 -25.229 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.521 -3.909 -27.961 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.966 -4.107 -28.802 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.328 -5.083 -27.359 1.00 0.00 H new ATOM 1496 N GLN A 95 0.504 -1.810 -28.634 1.00 0.00 N ATOM 1497 CA GLN A 95 1.210 -1.532 -29.923 1.00 0.00 C ATOM 1498 C GLN A 95 2.766 -1.748 -29.926 1.00 0.00 C ATOM 1499 O GLN A 95 3.303 -2.172 -30.952 1.00 0.00 O ATOM 1500 CB GLN A 95 0.948 -0.068 -30.356 1.00 0.00 C ATOM 1501 CG GLN A 95 1.359 0.265 -31.801 1.00 0.00 C ATOM 1502 CD GLN A 95 1.031 1.730 -32.106 1.00 0.00 C ATOM 1503 OE1 GLN A 95 0.589 2.486 -31.234 1.00 0.00 O ATOM 1504 NE2 GLN A 95 1.265 2.137 -33.389 1.00 0.00 N ATOM 0 H GLN A 95 0.115 -0.978 -28.189 1.00 0.00 H new ATOM 0 HA GLN A 95 0.796 -2.269 -30.611 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.114 0.146 -30.238 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.484 0.597 -29.679 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.425 0.085 -31.937 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.834 -0.388 -32.498 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.631 1.477 -34.075 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.074 3.101 -33.661 1.00 0.00 H new ATOM 1513 N LYS A 96 3.501 -1.461 -28.832 1.00 0.00 N ATOM 1514 CA LYS A 96 4.943 -1.851 -28.707 1.00 0.00 C ATOM 1515 C LYS A 96 5.199 -3.401 -28.588 1.00 0.00 C ATOM 1516 O LYS A 96 6.174 -3.869 -29.181 1.00 0.00 O ATOM 1517 CB LYS A 96 5.714 -1.172 -27.546 1.00 0.00 C ATOM 1518 CG LYS A 96 5.624 0.365 -27.451 1.00 0.00 C ATOM 1519 CD LYS A 96 6.097 1.224 -28.635 1.00 0.00 C ATOM 1520 CE LYS A 96 5.914 2.715 -28.278 1.00 0.00 C ATOM 1521 NZ LYS A 96 6.287 3.651 -29.362 1.00 0.00 N ATOM 0 H LYS A 96 3.133 -0.964 -28.021 1.00 0.00 H new ATOM 0 HA LYS A 96 5.331 -1.485 -29.658 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.351 -1.591 -26.607 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.766 -1.445 -27.632 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.582 0.620 -27.258 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.195 0.672 -26.575 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.144 1.016 -28.857 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.526 0.978 -29.530 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.872 2.887 -28.008 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.513 2.942 -27.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.965 4.610 -29.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.320 3.652 -29.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.838 3.350 -30.251 1.00 0.00 H new ATOM 1535 N MET A 97 4.378 -4.193 -27.853 1.00 0.00 N ATOM 1536 CA MET A 97 4.531 -5.683 -27.793 1.00 0.00 C ATOM 1537 C MET A 97 3.998 -6.449 -29.057 1.00 0.00 C ATOM 1538 O MET A 97 4.774 -7.191 -29.668 1.00 0.00 O ATOM 1539 CB MET A 97 3.845 -6.284 -26.544 1.00 0.00 C ATOM 1540 CG MET A 97 4.468 -5.793 -25.220 1.00 0.00 C ATOM 1541 SD MET A 97 3.584 -6.376 -23.738 1.00 0.00 S ATOM 1542 CE MET A 97 4.585 -5.441 -22.545 1.00 0.00 C ATOM 0 H MET A 97 3.604 -3.834 -27.293 1.00 0.00 H new ATOM 0 HA MET A 97 5.611 -5.827 -27.748 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.786 -6.027 -26.558 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.909 -7.371 -26.588 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.504 -6.127 -25.170 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.484 -4.703 -25.218 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.226 -5.639 -21.535 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.628 -5.747 -22.626 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.503 -4.375 -22.757 1.00 0.00 H new ATOM 1552 N SER A 98 2.699 -6.345 -29.401 1.00 0.00 N ATOM 1553 CA SER A 98 2.086 -7.055 -30.556 1.00 0.00 C ATOM 1554 C SER A 98 2.338 -6.374 -31.930 1.00 0.00 C ATOM 1555 O SER A 98 1.914 -5.200 -32.087 1.00 0.00 O ATOM 1556 CB SER A 98 0.552 -7.158 -30.393 1.00 0.00 C ATOM 1557 OG SER A 98 0.219 -7.770 -29.151 1.00 0.00 O ATOM 1558 OXT SER A 98 2.933 -7.035 -32.821 1.00 0.00 O ATOM 0 H SER A 98 2.037 -5.764 -28.887 1.00 0.00 H new ATOM 0 HA SER A 98 2.568 -8.033 -30.553 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.108 -6.164 -30.445 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.132 -7.738 -31.215 1.00 0.00 H new ATOM 0 HG SER A 98 -0.756 -7.825 -29.064 1.00 0.00 H new