USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 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 93 MET CE :methyl -176:sc= -0.315 (180deg=-0.357) USER MOD Set 1.2: A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 THR OG1 : rot -130:sc= 0 USER MOD Set 2.2: A 83 LYS NZ :NH3+ 159:sc= 1.15 (180deg=0.0802!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.3!) USER MOD Single : A 30 LYS NZ :NH3+ 136:sc= 1.07 (180deg=0.069) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 61:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000761) USER MOD Single : A 57 MET CE :methyl 131:sc= -0.509 (180deg=-1.97!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0.889) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 81:sc= 1.29 USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 1.25 (180deg=0.735) USER MOD Single : A 81 THR OG1 : rot 50:sc= 0.257 USER MOD Single : A 84 MET CE :methyl 176:sc= -0.08 (180deg=-0.109) USER MOD Single : A 85 ASN : amide:sc= 0.89 K(o=0.89,f=-2.4!) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.897 USER MOD Single : A 94 THR OG1 : rot 80:sc= 0.272 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 98 SER OG : rot 32:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -4.362 -7.318 -26.565 1.00 0.00 N ATOM 384 CA LEU A 25 -3.688 -7.928 -25.388 1.00 0.00 C ATOM 385 C LEU A 25 -4.541 -9.122 -24.832 1.00 0.00 C ATOM 386 O LEU A 25 -5.771 -9.014 -24.747 1.00 0.00 O ATOM 387 CB LEU A 25 -3.429 -7.000 -24.170 1.00 0.00 C ATOM 388 CG LEU A 25 -3.077 -5.526 -24.471 1.00 0.00 C ATOM 389 CD1 LEU A 25 -4.347 -4.669 -24.641 1.00 0.00 C ATOM 390 CD2 LEU A 25 -2.198 -4.934 -23.355 1.00 0.00 C ATOM 0 HA LEU A 25 -2.718 -8.216 -25.794 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.318 -7.014 -23.539 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.616 -7.429 -23.584 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.521 -5.510 -25.408 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.064 -3.638 -24.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.941 -5.059 -25.468 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.935 -4.704 -23.724 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.963 -3.896 -23.589 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.734 -4.980 -22.407 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.274 -5.506 -23.278 1.00 0.00 H new ATOM 402 N THR A 26 -3.933 -10.261 -24.433 1.00 0.00 N ATOM 403 CA THR A 26 -4.717 -11.500 -24.108 1.00 0.00 C ATOM 404 C THR A 26 -5.136 -11.455 -22.598 1.00 0.00 C ATOM 405 O THR A 26 -5.717 -10.469 -22.137 1.00 0.00 O ATOM 406 CB THR A 26 -3.931 -12.753 -24.477 1.00 0.00 C ATOM 407 OG1 THR A 26 -2.621 -12.728 -23.907 1.00 0.00 O ATOM 408 CG2 THR A 26 -3.806 -12.802 -26.015 1.00 0.00 C ATOM 0 H THR A 26 -2.924 -10.361 -24.326 1.00 0.00 H new ATOM 0 HA THR A 26 -5.628 -11.538 -24.705 1.00 0.00 H new ATOM 0 HB THR A 26 -4.454 -13.629 -24.092 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.139 -13.544 -24.158 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.247 -13.691 -26.306 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.800 -12.837 -26.460 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.283 -11.913 -26.366 1.00 0.00 H new ATOM 416 N GLU A 27 -4.858 -12.512 -21.834 1.00 0.00 N ATOM 417 CA GLU A 27 -5.373 -12.685 -20.453 1.00 0.00 C ATOM 418 C GLU A 27 -4.280 -12.279 -19.417 1.00 0.00 C ATOM 419 O GLU A 27 -4.460 -11.313 -18.667 1.00 0.00 O ATOM 420 CB GLU A 27 -5.779 -14.152 -20.145 1.00 0.00 C ATOM 421 CG GLU A 27 -6.908 -14.725 -21.034 1.00 0.00 C ATOM 422 CD GLU A 27 -6.426 -14.974 -22.462 1.00 0.00 C ATOM 423 OE1 GLU A 27 -5.365 -15.634 -22.620 1.00 0.00 O ATOM 424 OE2 GLU A 27 -7.086 -14.473 -23.410 1.00 0.00 O ATOM 0 H GLU A 27 -4.267 -13.282 -22.147 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.255 -12.049 -20.377 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.898 -14.785 -20.251 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.093 -14.214 -19.103 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.272 -15.658 -20.604 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.748 -14.031 -21.049 1.00 0.00 H new ATOM 431 N GLU A 28 -3.122 -12.967 -19.454 1.00 0.00 N ATOM 432 CA GLU A 28 -1.908 -12.594 -18.678 1.00 0.00 C ATOM 433 C GLU A 28 -1.334 -11.176 -19.008 1.00 0.00 C ATOM 434 O GLU A 28 -1.140 -10.405 -18.069 1.00 0.00 O ATOM 435 CB GLU A 28 -0.802 -13.652 -18.890 1.00 0.00 C ATOM 436 CG GLU A 28 0.420 -13.506 -17.968 1.00 0.00 C ATOM 437 CD GLU A 28 1.303 -14.739 -18.142 1.00 0.00 C ATOM 438 OE1 GLU A 28 1.751 -14.984 -19.295 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.517 -15.464 -17.135 1.00 0.00 O ATOM 0 H GLU A 28 -2.995 -13.803 -20.024 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.228 -12.559 -17.637 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.234 -14.642 -18.743 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.465 -13.602 -19.926 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.977 -12.602 -18.216 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.103 -13.410 -16.930 1.00 0.00 H new ATOM 446 N GLN A 29 -1.123 -10.785 -20.288 1.00 0.00 N ATOM 447 CA GLN A 29 -0.571 -9.436 -20.631 1.00 0.00 C ATOM 448 C GLN A 29 -1.453 -8.219 -20.171 1.00 0.00 C ATOM 449 O GLN A 29 -0.931 -7.240 -19.630 1.00 0.00 O ATOM 450 CB GLN A 29 -0.465 -9.366 -22.174 1.00 0.00 C ATOM 451 CG GLN A 29 0.275 -8.144 -22.739 1.00 0.00 C ATOM 452 CD GLN A 29 0.111 -8.137 -24.263 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.387 -9.103 -24.853 1.00 0.00 O ATOM 454 NE2 GLN A 29 0.514 -7.003 -24.907 1.00 0.00 N ATOM 0 H GLN A 29 -1.322 -11.372 -21.098 1.00 0.00 H new ATOM 0 HA GLN A 29 0.380 -9.346 -20.106 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.038 -10.267 -22.526 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.473 -9.381 -22.590 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.128 -7.226 -22.311 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.331 -8.184 -22.472 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.920 -6.232 -24.376 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.410 -6.927 -25.919 1.00 0.00 H new ATOM 463 N LYS A 30 -2.780 -8.296 -20.398 1.00 0.00 N ATOM 464 CA LYS A 30 -3.780 -7.310 -19.905 1.00 0.00 C ATOM 465 C LYS A 30 -3.831 -7.194 -18.342 1.00 0.00 C ATOM 466 O LYS A 30 -3.696 -6.089 -17.795 1.00 0.00 O ATOM 467 CB LYS A 30 -5.161 -7.713 -20.471 1.00 0.00 C ATOM 468 CG LYS A 30 -6.288 -6.672 -20.372 1.00 0.00 C ATOM 469 CD LYS A 30 -7.490 -7.060 -21.260 1.00 0.00 C ATOM 470 CE LYS A 30 -7.328 -6.633 -22.735 1.00 0.00 C ATOM 471 NZ LYS A 30 -7.987 -7.564 -23.680 1.00 0.00 N ATOM 0 H LYS A 30 -3.200 -9.054 -20.936 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.484 -6.321 -20.254 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.033 -7.975 -21.521 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.488 -8.616 -19.955 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.613 -6.582 -19.335 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.911 -5.695 -20.674 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.631 -8.140 -21.216 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.393 -6.604 -20.855 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.744 -5.634 -22.867 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.267 -6.570 -22.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.503 -7.020 -24.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.268 -8.156 -24.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.654 -8.171 -23.161 1.00 0.00 H new ATOM 485 N GLN A 31 -3.965 -8.338 -17.634 1.00 0.00 N ATOM 486 CA GLN A 31 -3.802 -8.399 -16.157 1.00 0.00 C ATOM 487 C GLN A 31 -2.416 -7.866 -15.640 1.00 0.00 C ATOM 488 O GLN A 31 -2.430 -7.057 -14.714 1.00 0.00 O ATOM 489 CB GLN A 31 -3.942 -9.864 -15.674 1.00 0.00 C ATOM 490 CG GLN A 31 -3.939 -10.051 -14.145 1.00 0.00 C ATOM 491 CD GLN A 31 -4.087 -11.540 -13.817 1.00 0.00 C ATOM 492 OE1 GLN A 31 -5.126 -11.972 -13.304 1.00 0.00 O ATOM 493 NE2 GLN A 31 -3.020 -12.336 -14.129 1.00 0.00 N ATOM 0 H GLN A 31 -4.187 -9.237 -18.061 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.581 -7.752 -15.754 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.870 -10.275 -16.073 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.126 -10.449 -16.098 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.012 -9.664 -13.722 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.755 -9.485 -13.696 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.186 -11.928 -14.551 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.058 -13.337 -13.939 1.00 0.00 H new ATOM 502 N GLU A 32 -1.262 -8.241 -16.232 1.00 0.00 N ATOM 503 CA GLU A 32 0.079 -7.678 -15.862 1.00 0.00 C ATOM 504 C GLU A 32 0.208 -6.128 -15.889 1.00 0.00 C ATOM 505 O GLU A 32 0.663 -5.534 -14.901 1.00 0.00 O ATOM 506 CB GLU A 32 1.223 -8.194 -16.769 1.00 0.00 C ATOM 507 CG GLU A 32 1.641 -9.646 -16.492 1.00 0.00 C ATOM 508 CD GLU A 32 2.750 -10.008 -17.476 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.469 -10.011 -18.705 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.894 -10.261 -17.014 1.00 0.00 O ATOM 0 H GLU A 32 -1.220 -8.937 -16.976 1.00 0.00 H new ATOM 0 HA GLU A 32 0.166 -8.027 -14.833 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.912 -8.110 -17.810 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.091 -7.547 -16.643 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.991 -9.753 -15.465 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.791 -10.318 -16.611 1.00 0.00 H new ATOM 517 N ILE A 33 -0.156 -5.477 -17.011 1.00 0.00 N ATOM 518 CA ILE A 33 0.031 -3.993 -17.125 1.00 0.00 C ATOM 519 C ILE A 33 -1.018 -3.214 -16.227 1.00 0.00 C ATOM 520 O ILE A 33 -0.621 -2.224 -15.605 1.00 0.00 O ATOM 521 CB ILE A 33 0.271 -3.341 -18.471 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.974 -2.996 -19.327 1.00 0.00 C ATOM 523 CG2 ILE A 33 1.334 -4.199 -19.172 1.00 0.00 C ATOM 524 CD1 ILE A 33 -1.750 -4.200 -19.845 1.00 0.00 C ATOM 0 H ILE A 33 -0.568 -5.923 -17.831 1.00 0.00 H new ATOM 0 HA ILE A 33 1.041 -3.884 -16.729 1.00 0.00 H new ATOM 0 HB ILE A 33 0.629 -2.324 -18.311 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.646 -2.378 -18.732 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.656 -2.393 -20.178 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.552 -3.778 -20.154 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.244 -4.212 -18.573 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.961 -5.217 -19.288 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.602 -3.858 -20.432 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.099 -4.810 -20.471 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.104 -4.794 -19.003 1.00 0.00 H new ATOM 536 N ARG A 34 -2.311 -3.630 -16.105 1.00 0.00 N ATOM 537 CA ARG A 34 -3.229 -3.035 -15.087 1.00 0.00 C ATOM 538 C ARG A 34 -2.851 -3.444 -13.626 1.00 0.00 C ATOM 539 O ARG A 34 -3.000 -2.563 -12.791 1.00 0.00 O ATOM 540 CB ARG A 34 -4.732 -3.361 -15.318 1.00 0.00 C ATOM 541 CG ARG A 34 -5.723 -2.668 -14.345 1.00 0.00 C ATOM 542 CD ARG A 34 -5.734 -1.126 -14.404 1.00 0.00 C ATOM 543 NE ARG A 34 -6.313 -0.564 -13.132 1.00 0.00 N ATOM 544 CZ ARG A 34 -6.411 0.781 -12.889 1.00 0.00 C ATOM 545 NH1 ARG A 34 -6.264 1.692 -13.893 1.00 0.00 N ATOM 546 NH2 ARG A 34 -6.648 1.218 -11.618 1.00 0.00 N ATOM 0 H ARG A 34 -2.734 -4.356 -16.683 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.093 -1.961 -15.216 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.994 -3.079 -16.338 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.868 -4.440 -15.240 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.729 -3.031 -14.557 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.482 -2.975 -13.327 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.720 -0.752 -14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.321 -0.791 -15.259 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.647 -1.213 -12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.078 1.376 -14.845 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.340 2.689 -13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.751 0.545 -10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.722 2.217 -11.428 1.00 0.00 H new ATOM 560 N GLU A 35 -2.354 -4.648 -13.257 1.00 0.00 N ATOM 561 CA GLU A 35 -1.806 -4.916 -11.884 1.00 0.00 C ATOM 562 C GLU A 35 -0.718 -3.878 -11.443 1.00 0.00 C ATOM 563 O GLU A 35 -0.902 -3.237 -10.407 1.00 0.00 O ATOM 564 CB GLU A 35 -1.222 -6.351 -11.787 1.00 0.00 C ATOM 565 CG GLU A 35 -0.814 -6.842 -10.378 1.00 0.00 C ATOM 566 CD GLU A 35 0.581 -6.358 -9.981 1.00 0.00 C ATOM 567 OE1 GLU A 35 1.536 -6.610 -10.765 1.00 0.00 O ATOM 568 OE2 GLU A 35 0.711 -5.739 -8.892 1.00 0.00 O ATOM 0 H GLU A 35 -2.316 -5.454 -13.881 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.650 -4.816 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.959 -7.046 -12.189 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.346 -6.406 -12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.541 -6.489 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.840 -7.931 -10.353 1.00 0.00 H new ATOM 575 N ALA A 36 0.329 -3.617 -12.260 1.00 0.00 N ATOM 576 CA ALA A 36 1.267 -2.485 -11.997 1.00 0.00 C ATOM 577 C ALA A 36 0.591 -1.071 -11.866 1.00 0.00 C ATOM 578 O ALA A 36 0.759 -0.393 -10.841 1.00 0.00 O ATOM 579 CB ALA A 36 2.337 -2.378 -13.100 1.00 0.00 C ATOM 0 H ALA A 36 0.549 -4.161 -13.095 1.00 0.00 H new ATOM 0 HA ALA A 36 1.702 -2.737 -11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.004 -1.545 -12.880 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.912 -3.303 -13.140 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.852 -2.210 -14.062 1.00 0.00 H new ATOM 585 N PHE A 37 -0.229 -0.650 -12.864 1.00 0.00 N ATOM 586 CA PHE A 37 -0.979 0.636 -12.777 1.00 0.00 C ATOM 587 C PHE A 37 -1.936 0.707 -11.544 1.00 0.00 C ATOM 588 O PHE A 37 -1.776 1.650 -10.784 1.00 0.00 O ATOM 589 CB PHE A 37 -1.816 0.835 -14.068 1.00 0.00 C ATOM 590 CG PHE A 37 -2.169 2.278 -14.309 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.231 2.892 -13.623 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.451 3.033 -15.253 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.561 4.231 -13.862 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.804 4.357 -15.523 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.838 4.964 -14.807 1.00 0.00 C ATOM 0 H PHE A 37 -0.388 -1.171 -13.726 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.236 1.425 -12.661 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.257 0.454 -14.922 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.731 0.247 -13.998 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.800 2.323 -12.902 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.618 2.585 -15.775 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.371 4.696 -13.319 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.277 4.911 -16.286 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.079 6.002 -14.984 1.00 0.00 H new ATOM 605 N ASP A 38 -2.832 -0.266 -11.299 1.00 0.00 N ATOM 606 CA ASP A 38 -3.635 -0.403 -10.049 1.00 0.00 C ATOM 607 C ASP A 38 -2.832 -0.442 -8.699 1.00 0.00 C ATOM 608 O ASP A 38 -3.290 0.144 -7.715 1.00 0.00 O ATOM 609 CB ASP A 38 -4.489 -1.703 -10.114 1.00 0.00 C ATOM 610 CG ASP A 38 -5.800 -1.568 -9.344 1.00 0.00 C ATOM 611 OD1 ASP A 38 -6.665 -0.782 -9.816 1.00 0.00 O ATOM 612 OD2 ASP A 38 -5.972 -2.275 -8.318 1.00 0.00 O ATOM 0 H ASP A 38 -3.030 -1.003 -11.976 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.230 0.510 -10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.704 -1.943 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.914 -2.535 -9.707 1.00 0.00 H new ATOM 617 N LEU A 39 -1.632 -1.072 -8.634 1.00 0.00 N ATOM 618 CA LEU A 39 -0.709 -0.971 -7.478 1.00 0.00 C ATOM 619 C LEU A 39 -0.352 0.509 -7.097 1.00 0.00 C ATOM 620 O LEU A 39 -0.411 0.865 -5.916 1.00 0.00 O ATOM 621 CB LEU A 39 0.609 -1.745 -7.741 1.00 0.00 C ATOM 622 CG LEU A 39 1.601 -1.836 -6.555 1.00 0.00 C ATOM 623 CD1 LEU A 39 1.007 -2.571 -5.337 1.00 0.00 C ATOM 624 CD2 LEU A 39 2.920 -2.495 -7.010 1.00 0.00 C ATOM 0 H LEU A 39 -1.278 -1.665 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.248 -1.416 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.354 -2.758 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.121 -1.273 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 39 1.807 -0.817 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.746 -2.605 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.120 -2.042 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.735 -3.587 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.608 -2.552 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.716 -3.499 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.369 -1.899 -7.805 1.00 0.00 H new ATOM 636 N PHE A 40 -0.005 1.363 -8.085 1.00 0.00 N ATOM 637 CA PHE A 40 0.155 2.837 -7.863 1.00 0.00 C ATOM 638 C PHE A 40 -1.211 3.635 -7.853 1.00 0.00 C ATOM 639 O PHE A 40 -1.429 4.456 -6.958 1.00 0.00 O ATOM 640 CB PHE A 40 1.149 3.467 -8.850 1.00 0.00 C ATOM 641 CG PHE A 40 2.473 2.773 -8.643 1.00 0.00 C ATOM 642 CD1 PHE A 40 3.260 3.077 -7.517 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.893 1.744 -9.503 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.431 2.358 -7.249 1.00 0.00 C ATOM 645 CE2 PHE A 40 4.051 1.010 -9.227 1.00 0.00 C ATOM 646 CZ PHE A 40 4.820 1.316 -8.100 1.00 0.00 C ATOM 0 H PHE A 40 0.172 1.068 -9.045 1.00 0.00 H new ATOM 0 HA PHE A 40 0.569 2.925 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.805 3.343 -9.877 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.243 4.538 -8.672 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.958 3.873 -6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.315 1.518 -10.387 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.033 2.606 -6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.351 0.207 -9.884 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.714 0.749 -7.886 1.00 0.00 H new ATOM 656 N ASP A 41 -2.141 3.384 -8.796 1.00 0.00 N ATOM 657 CA ASP A 41 -3.520 3.952 -8.834 1.00 0.00 C ATOM 658 C ASP A 41 -4.499 3.216 -7.843 1.00 0.00 C ATOM 659 O ASP A 41 -5.395 2.470 -8.256 1.00 0.00 O ATOM 660 CB ASP A 41 -4.075 3.880 -10.290 1.00 0.00 C ATOM 661 CG ASP A 41 -5.437 4.541 -10.529 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.629 5.709 -10.098 1.00 0.00 O ATOM 663 OD2 ASP A 41 -6.293 3.892 -11.192 1.00 0.00 O ATOM 0 H ASP A 41 -1.955 2.761 -9.582 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.459 4.991 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.348 4.343 -10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.148 2.831 -10.577 1.00 0.00 H new ATOM 668 N ALA A 42 -4.316 3.428 -6.527 1.00 0.00 N ATOM 669 CA ALA A 42 -5.021 2.630 -5.477 1.00 0.00 C ATOM 670 C ALA A 42 -6.280 3.309 -4.845 1.00 0.00 C ATOM 671 O ALA A 42 -7.336 2.677 -4.758 1.00 0.00 O ATOM 672 CB ALA A 42 -4.066 2.309 -4.309 1.00 0.00 C ATOM 0 H ALA A 42 -3.689 4.141 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.355 1.742 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.596 1.728 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.218 1.734 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.708 3.238 -3.866 1.00 0.00 H new ATOM 678 N ASP A 43 -6.168 4.564 -4.377 1.00 0.00 N ATOM 679 CA ASP A 43 -7.256 5.276 -3.639 1.00 0.00 C ATOM 680 C ASP A 43 -8.319 6.006 -4.534 1.00 0.00 C ATOM 681 O ASP A 43 -9.470 6.178 -4.124 1.00 0.00 O ATOM 682 CB ASP A 43 -6.688 6.372 -2.702 1.00 0.00 C ATOM 683 CG ASP A 43 -5.791 5.739 -1.641 1.00 0.00 C ATOM 684 OD1 ASP A 43 -6.330 4.996 -0.778 1.00 0.00 O ATOM 685 OD2 ASP A 43 -4.558 5.989 -1.683 1.00 0.00 O ATOM 0 H ASP A 43 -5.324 5.125 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.744 4.462 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.121 7.100 -3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.505 6.912 -2.224 1.00 0.00 H new ATOM 690 N GLY A 44 -7.914 6.469 -5.726 1.00 0.00 N ATOM 691 CA GLY A 44 -8.751 7.280 -6.638 1.00 0.00 C ATOM 692 C GLY A 44 -7.917 8.398 -7.289 1.00 0.00 C ATOM 693 O GLY A 44 -7.945 9.538 -6.824 1.00 0.00 O ATOM 0 H GLY A 44 -6.980 6.290 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.180 6.642 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.584 7.715 -6.086 1.00 0.00 H new ATOM 697 N THR A 45 -7.154 8.049 -8.337 1.00 0.00 N ATOM 698 CA THR A 45 -6.128 8.961 -8.937 1.00 0.00 C ATOM 699 C THR A 45 -6.422 9.220 -10.447 1.00 0.00 C ATOM 700 O THR A 45 -6.726 10.364 -10.800 1.00 0.00 O ATOM 701 CB THR A 45 -4.688 8.478 -8.740 1.00 0.00 C ATOM 702 OG1 THR A 45 -4.657 7.183 -8.149 1.00 0.00 O ATOM 703 CG2 THR A 45 -3.958 9.464 -7.806 1.00 0.00 C ATOM 0 H THR A 45 -7.218 7.141 -8.798 1.00 0.00 H new ATOM 0 HA THR A 45 -6.211 9.902 -8.393 1.00 0.00 H new ATOM 0 HB THR A 45 -4.202 8.429 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.105 6.543 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.931 9.131 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.957 10.457 -8.255 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.470 9.501 -6.844 1.00 0.00 H new ATOM 711 N GLY A 46 -6.298 8.213 -11.340 1.00 0.00 N ATOM 712 CA GLY A 46 -6.345 8.472 -12.829 1.00 0.00 C ATOM 713 C GLY A 46 -4.936 8.469 -13.467 1.00 0.00 C ATOM 714 O GLY A 46 -4.712 7.762 -14.453 1.00 0.00 O ATOM 0 H GLY A 46 -6.168 7.234 -11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.961 7.712 -13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.824 9.434 -13.014 1.00 0.00 H new ATOM 718 N THR A 47 -4.013 9.292 -12.926 1.00 0.00 N ATOM 719 CA THR A 47 -2.583 9.312 -13.353 1.00 0.00 C ATOM 720 C THR A 47 -1.655 8.633 -12.302 1.00 0.00 C ATOM 721 O THR A 47 -1.822 8.725 -11.079 1.00 0.00 O ATOM 722 CB THR A 47 -2.045 10.713 -13.619 1.00 0.00 C ATOM 723 OG1 THR A 47 -2.268 11.586 -12.513 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.739 11.284 -14.872 1.00 0.00 C ATOM 0 H THR A 47 -4.228 9.960 -12.186 1.00 0.00 H new ATOM 0 HA THR A 47 -2.572 8.753 -14.289 1.00 0.00 H new ATOM 0 HB THR A 47 -0.968 10.642 -13.773 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.679 12.417 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.361 12.287 -15.072 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.532 10.641 -15.727 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.815 11.328 -14.704 1.00 0.00 H new ATOM 732 N ILE A 48 -0.656 7.955 -12.868 1.00 0.00 N ATOM 733 CA ILE A 48 0.510 7.395 -12.142 1.00 0.00 C ATOM 734 C ILE A 48 1.665 8.251 -12.745 1.00 0.00 C ATOM 735 O ILE A 48 1.863 8.319 -13.970 1.00 0.00 O ATOM 736 CB ILE A 48 0.743 5.900 -12.428 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.054 5.379 -11.799 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.708 5.580 -13.938 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.408 3.934 -12.179 1.00 0.00 C ATOM 0 H ILE A 48 -0.624 7.769 -13.870 1.00 0.00 H new ATOM 0 HA ILE A 48 0.402 7.440 -11.058 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.087 5.376 -11.954 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.873 6.032 -12.101 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.975 5.448 -10.714 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.877 4.514 -14.088 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.265 5.854 -14.345 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.487 6.146 -14.448 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.342 3.649 -11.695 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.611 3.266 -11.852 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.523 3.860 -13.260 1.00 0.00 H new ATOM 751 N ASP A 49 2.456 8.879 -11.877 1.00 0.00 N ATOM 752 CA ASP A 49 3.447 9.901 -12.320 1.00 0.00 C ATOM 753 C ASP A 49 4.865 9.258 -12.414 1.00 0.00 C ATOM 754 O ASP A 49 5.134 8.162 -11.911 1.00 0.00 O ATOM 755 CB ASP A 49 3.542 11.126 -11.372 1.00 0.00 C ATOM 756 CG ASP A 49 2.284 11.992 -11.430 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.311 11.645 -12.152 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.280 13.064 -10.768 1.00 0.00 O ATOM 0 H ASP A 49 2.443 8.712 -10.871 1.00 0.00 H new ATOM 0 HA ASP A 49 3.097 10.254 -13.290 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.699 10.782 -10.350 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.410 11.728 -11.643 1.00 0.00 H new ATOM 763 N VAL A 50 5.784 9.937 -13.129 1.00 0.00 N ATOM 764 CA VAL A 50 7.107 9.363 -13.515 1.00 0.00 C ATOM 765 C VAL A 50 7.982 8.689 -12.393 1.00 0.00 C ATOM 766 O VAL A 50 8.671 7.711 -12.689 1.00 0.00 O ATOM 767 CB VAL A 50 7.900 10.395 -14.315 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.334 11.587 -13.435 1.00 0.00 C ATOM 769 CG2 VAL A 50 9.067 9.732 -15.069 1.00 0.00 C ATOM 0 H VAL A 50 5.641 10.892 -13.457 1.00 0.00 H new ATOM 0 HA VAL A 50 6.849 8.499 -14.127 1.00 0.00 H new ATOM 0 HB VAL A 50 7.244 10.816 -15.077 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.895 12.300 -14.039 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.451 12.076 -13.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.962 11.228 -12.620 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.615 10.489 -15.630 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.737 9.254 -14.354 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.676 8.982 -15.757 1.00 0.00 H new ATOM 779 N LYS A 51 7.931 9.141 -11.135 1.00 0.00 N ATOM 780 CA LYS A 51 8.549 8.423 -9.971 1.00 0.00 C ATOM 781 C LYS A 51 7.953 6.972 -9.760 1.00 0.00 C ATOM 782 O LYS A 51 8.670 5.966 -9.859 1.00 0.00 O ATOM 783 CB LYS A 51 8.328 9.205 -8.653 1.00 0.00 C ATOM 784 CG LYS A 51 8.849 10.652 -8.697 1.00 0.00 C ATOM 785 CD LYS A 51 8.535 11.431 -7.409 1.00 0.00 C ATOM 786 CE LYS A 51 8.967 12.904 -7.480 1.00 0.00 C ATOM 787 NZ LYS A 51 8.598 13.637 -6.246 1.00 0.00 N ATOM 0 H LYS A 51 7.466 10.011 -10.876 1.00 0.00 H new ATOM 0 HA LYS A 51 9.610 8.347 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.263 9.219 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.823 8.675 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.927 10.642 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.405 11.169 -9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.464 11.381 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.036 10.951 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.045 12.961 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.499 13.381 -8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.904 14.628 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.567 13.602 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.065 13.196 -5.428 1.00 0.00 H new ATOM 801 N GLU A 52 6.625 6.886 -9.534 1.00 0.00 N ATOM 802 CA GLU A 52 5.842 5.622 -9.523 1.00 0.00 C ATOM 803 C GLU A 52 5.915 4.795 -10.855 1.00 0.00 C ATOM 804 O GLU A 52 6.091 3.582 -10.775 1.00 0.00 O ATOM 805 CB GLU A 52 4.365 5.996 -9.328 1.00 0.00 C ATOM 806 CG GLU A 52 4.076 6.829 -8.068 1.00 0.00 C ATOM 807 CD GLU A 52 2.645 7.347 -8.171 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.380 8.140 -9.117 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.806 6.953 -7.323 1.00 0.00 O ATOM 0 H GLU A 52 6.051 7.708 -9.350 1.00 0.00 H new ATOM 0 HA GLU A 52 6.265 5.005 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.027 6.553 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.775 5.081 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.199 6.221 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.778 7.659 -7.989 1.00 0.00 H new ATOM 816 N LEU A 53 5.837 5.409 -12.068 1.00 0.00 N ATOM 817 CA LEU A 53 6.097 4.693 -13.352 1.00 0.00 C ATOM 818 C LEU A 53 7.529 4.061 -13.495 1.00 0.00 C ATOM 819 O LEU A 53 7.647 2.980 -14.075 1.00 0.00 O ATOM 820 CB LEU A 53 5.869 5.648 -14.542 1.00 0.00 C ATOM 821 CG LEU A 53 5.860 4.977 -15.931 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.843 3.820 -16.005 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.631 6.024 -17.037 1.00 0.00 C ATOM 0 H LEU A 53 5.597 6.394 -12.185 1.00 0.00 H new ATOM 0 HA LEU A 53 5.393 3.861 -13.349 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.918 6.161 -14.398 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.648 6.410 -14.530 1.00 0.00 H new ATOM 0 HG LEU A 53 6.841 4.531 -16.095 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.869 3.376 -17.000 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.098 3.064 -15.263 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.842 4.202 -15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.628 5.531 -18.009 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.673 6.518 -16.877 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.430 6.765 -17.008 1.00 0.00 H new ATOM 835 N LYS A 54 8.607 4.689 -12.981 1.00 0.00 N ATOM 836 CA LYS A 54 9.952 4.045 -12.879 1.00 0.00 C ATOM 837 C LYS A 54 9.938 2.755 -11.976 1.00 0.00 C ATOM 838 O LYS A 54 10.406 1.699 -12.407 1.00 0.00 O ATOM 839 CB LYS A 54 11.045 4.982 -12.279 1.00 0.00 C ATOM 840 CG LYS A 54 12.017 5.622 -13.292 1.00 0.00 C ATOM 841 CD LYS A 54 11.559 6.946 -13.923 1.00 0.00 C ATOM 842 CE LYS A 54 12.709 7.660 -14.657 1.00 0.00 C ATOM 843 NZ LYS A 54 12.300 8.968 -15.227 1.00 0.00 N ATOM 0 H LYS A 54 8.581 5.645 -12.626 1.00 0.00 H new ATOM 0 HA LYS A 54 10.194 3.798 -13.913 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.548 5.780 -11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.628 4.411 -11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.971 5.792 -12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.200 4.905 -14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.746 6.753 -14.623 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.162 7.600 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.537 7.813 -13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.077 7.019 -15.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.106 9.397 -15.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.517 8.825 -15.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.990 9.599 -14.461 1.00 0.00 H new ATOM 857 N VAL A 55 9.377 2.844 -10.750 1.00 0.00 N ATOM 858 CA VAL A 55 9.102 1.635 -9.883 1.00 0.00 C ATOM 859 C VAL A 55 8.164 0.567 -10.575 1.00 0.00 C ATOM 860 O VAL A 55 8.425 -0.641 -10.474 1.00 0.00 O ATOM 861 CB VAL A 55 8.555 2.009 -8.509 1.00 0.00 C ATOM 862 CG1 VAL A 55 8.558 0.775 -7.579 1.00 0.00 C ATOM 863 CG2 VAL A 55 9.425 3.132 -7.906 1.00 0.00 C ATOM 0 H VAL A 55 9.100 3.728 -10.324 1.00 0.00 H new ATOM 0 HA VAL A 55 10.077 1.168 -9.744 1.00 0.00 H new ATOM 0 HB VAL A 55 7.528 2.360 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.165 1.055 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.933 -0.007 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.577 0.405 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.039 3.404 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.453 2.783 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.399 4.004 -8.560 1.00 0.00 H new ATOM 873 N ALA A 56 7.124 1.009 -11.306 1.00 0.00 N ATOM 874 CA ALA A 56 6.289 0.118 -12.163 1.00 0.00 C ATOM 875 C ALA A 56 7.058 -0.637 -13.295 1.00 0.00 C ATOM 876 O ALA A 56 6.818 -1.824 -13.520 1.00 0.00 O ATOM 877 CB ALA A 56 5.135 0.882 -12.842 1.00 0.00 C ATOM 0 H ALA A 56 6.832 1.986 -11.326 1.00 0.00 H new ATOM 0 HA ALA A 56 5.922 -0.620 -11.449 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.554 0.193 -13.456 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.491 1.321 -12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.543 1.673 -13.471 1.00 0.00 H new ATOM 883 N MET A 57 8.004 0.047 -13.961 1.00 0.00 N ATOM 884 CA MET A 57 8.930 -0.573 -14.950 1.00 0.00 C ATOM 885 C MET A 57 10.014 -1.509 -14.319 1.00 0.00 C ATOM 886 O MET A 57 10.425 -2.454 -14.995 1.00 0.00 O ATOM 887 CB MET A 57 9.492 0.437 -15.947 1.00 0.00 C ATOM 888 CG MET A 57 8.355 1.027 -16.807 1.00 0.00 C ATOM 889 SD MET A 57 8.887 1.886 -18.312 1.00 0.00 S ATOM 890 CE MET A 57 7.236 2.538 -18.681 1.00 0.00 C ATOM 0 H MET A 57 8.156 1.048 -13.835 1.00 0.00 H new ATOM 0 HA MET A 57 8.309 -1.251 -15.535 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.007 1.236 -15.414 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.230 -0.046 -16.588 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.679 0.220 -17.089 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.782 1.723 -16.194 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.305 3.606 -18.889 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.828 2.024 -19.552 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.581 2.376 -17.825 1.00 0.00 H new ATOM 900 N ARG A 58 10.469 -1.306 -13.063 1.00 0.00 N ATOM 901 CA ARG A 58 11.321 -2.307 -12.345 1.00 0.00 C ATOM 902 C ARG A 58 10.529 -3.657 -12.115 1.00 0.00 C ATOM 903 O ARG A 58 11.037 -4.713 -12.504 1.00 0.00 O ATOM 904 CB ARG A 58 11.763 -1.827 -10.943 1.00 0.00 C ATOM 905 CG ARG A 58 12.606 -0.543 -10.956 1.00 0.00 C ATOM 906 CD ARG A 58 12.862 -0.007 -9.541 1.00 0.00 C ATOM 907 NE ARG A 58 13.464 1.366 -9.644 1.00 0.00 N ATOM 908 CZ ARG A 58 13.574 2.210 -8.571 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.171 1.817 -7.328 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.097 3.461 -8.752 1.00 0.00 N ATOM 0 H ARG A 58 10.268 -0.467 -12.520 1.00 0.00 H new ATOM 0 HA ARG A 58 12.194 -2.447 -12.983 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.876 -1.660 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.336 -2.620 -10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.559 -0.740 -11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.096 0.219 -11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.930 0.031 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.534 -0.674 -9.001 1.00 0.00 H new ATOM 0 HE ARG A 58 13.805 1.683 -10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.782 0.884 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.259 2.456 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.401 3.758 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.183 4.097 -7.959 1.00 0.00 H new ATOM 924 N ALA A 59 9.293 -3.632 -11.548 1.00 0.00 N ATOM 925 CA ALA A 59 8.403 -4.829 -11.501 1.00 0.00 C ATOM 926 C ALA A 59 7.931 -5.432 -12.874 1.00 0.00 C ATOM 927 O ALA A 59 7.964 -6.655 -13.020 1.00 0.00 O ATOM 928 CB ALA A 59 7.118 -4.518 -10.708 1.00 0.00 C ATOM 0 H ALA A 59 8.889 -2.800 -11.118 1.00 0.00 H new ATOM 0 HA ALA A 59 9.047 -5.573 -11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.482 -5.403 -10.685 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.379 -4.232 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.583 -3.699 -11.189 1.00 0.00 H new ATOM 934 N LEU A 60 7.503 -4.621 -13.864 1.00 0.00 N ATOM 935 CA LEU A 60 7.076 -5.116 -15.212 1.00 0.00 C ATOM 936 C LEU A 60 8.229 -5.527 -16.192 1.00 0.00 C ATOM 937 O LEU A 60 8.016 -6.399 -17.037 1.00 0.00 O ATOM 938 CB LEU A 60 6.208 -4.039 -15.918 1.00 0.00 C ATOM 939 CG LEU A 60 5.476 -4.475 -17.216 1.00 0.00 C ATOM 940 CD1 LEU A 60 4.491 -5.640 -16.989 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.765 -3.274 -17.870 1.00 0.00 C ATOM 0 H LEU A 60 7.440 -3.608 -13.764 1.00 0.00 H new ATOM 0 HA LEU A 60 6.522 -6.030 -14.996 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.460 -3.685 -15.208 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.848 -3.189 -16.157 1.00 0.00 H new ATOM 0 HG LEU A 60 6.242 -4.846 -17.897 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.011 -5.899 -17.932 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.033 -6.506 -16.608 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.733 -5.340 -16.266 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.258 -3.601 -18.778 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.034 -2.862 -17.175 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.500 -2.509 -18.120 1.00 0.00 H new ATOM 953 N GLY A 61 9.424 -4.913 -16.115 1.00 0.00 N ATOM 954 CA GLY A 61 10.630 -5.381 -16.851 1.00 0.00 C ATOM 955 C GLY A 61 11.128 -6.815 -16.541 1.00 0.00 C ATOM 956 O GLY A 61 11.319 -7.593 -17.476 1.00 0.00 O ATOM 0 H GLY A 61 9.588 -4.082 -15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.421 -5.318 -17.919 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.444 -4.687 -16.644 1.00 0.00 H new ATOM 960 N PHE A 62 11.330 -7.147 -15.249 1.00 0.00 N ATOM 961 CA PHE A 62 11.755 -8.493 -14.740 1.00 0.00 C ATOM 962 C PHE A 62 13.236 -8.782 -15.143 1.00 0.00 C ATOM 963 O PHE A 62 14.161 -8.581 -14.351 1.00 0.00 O ATOM 964 CB PHE A 62 10.881 -9.702 -15.186 1.00 0.00 C ATOM 965 CG PHE A 62 9.457 -9.591 -14.714 1.00 0.00 C ATOM 966 CD1 PHE A 62 9.122 -9.878 -13.380 1.00 0.00 C ATOM 967 CD2 PHE A 62 8.428 -9.272 -15.619 1.00 0.00 C ATOM 968 CE1 PHE A 62 7.786 -9.854 -12.959 1.00 0.00 C ATOM 969 CE2 PHE A 62 7.092 -9.243 -15.201 1.00 0.00 C ATOM 970 CZ PHE A 62 6.770 -9.537 -13.870 1.00 0.00 C ATOM 0 H PHE A 62 11.201 -6.471 -14.496 1.00 0.00 H new ATOM 0 HA PHE A 62 11.628 -8.414 -13.660 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.895 -9.774 -16.274 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.317 -10.623 -14.800 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.902 -10.119 -12.673 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.671 -9.047 -16.647 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.539 -10.080 -11.932 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.311 -8.994 -15.904 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.740 -9.519 -13.546 1.00 0.00 H new ATOM 980 N GLU A 63 13.434 -9.228 -16.367 1.00 0.00 N ATOM 981 CA GLU A 63 14.740 -9.529 -16.986 1.00 0.00 C ATOM 982 C GLU A 63 14.582 -9.072 -18.514 1.00 0.00 C ATOM 983 O GLU A 63 14.455 -10.025 -19.299 1.00 0.00 O ATOM 984 CB GLU A 63 15.137 -11.027 -16.938 1.00 0.00 C ATOM 985 CG GLU A 63 15.404 -11.545 -15.513 1.00 0.00 C ATOM 986 CD GLU A 63 15.864 -12.998 -15.571 1.00 0.00 C ATOM 987 OE1 GLU A 63 16.925 -13.256 -16.201 1.00 0.00 O ATOM 988 OE2 GLU A 63 15.166 -13.869 -14.988 1.00 0.00 O ATOM 0 H GLU A 63 12.656 -9.405 -17.003 1.00 0.00 H new ATOM 0 HA GLU A 63 15.529 -9.011 -16.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.342 -11.620 -17.389 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.030 -11.178 -17.544 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.165 -10.932 -15.030 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.499 -11.464 -14.911 1.00 0.00 H new ATOM 995 N PRO A 64 14.494 -7.804 -19.109 1.00 0.00 N ATOM 996 CA PRO A 64 14.114 -7.677 -20.555 1.00 0.00 C ATOM 997 C PRO A 64 15.307 -7.843 -21.565 1.00 0.00 C ATOM 998 O PRO A 64 16.411 -8.248 -21.186 1.00 0.00 O ATOM 999 CB PRO A 64 13.623 -6.216 -20.589 1.00 0.00 C ATOM 1000 CG PRO A 64 14.448 -5.487 -19.515 1.00 0.00 C ATOM 1001 CD PRO A 64 14.588 -6.533 -18.408 1.00 0.00 C ATOM 0 HA PRO A 64 13.407 -8.449 -20.860 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.777 -5.772 -21.572 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.556 -6.154 -20.375 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.419 -5.174 -19.898 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.942 -4.590 -19.159 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.539 -6.435 -17.885 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.801 -6.431 -17.661 1.00 0.00 H new ATOM 1009 N LYS A 65 15.087 -7.598 -22.874 1.00 0.00 N ATOM 1010 CA LYS A 65 16.088 -7.938 -23.934 1.00 0.00 C ATOM 1011 C LYS A 65 17.442 -7.144 -23.869 1.00 0.00 C ATOM 1012 O LYS A 65 18.510 -7.764 -23.864 1.00 0.00 O ATOM 1013 CB LYS A 65 15.484 -7.788 -25.353 1.00 0.00 C ATOM 1014 CG LYS A 65 16.308 -8.408 -26.501 1.00 0.00 C ATOM 1015 CD LYS A 65 16.650 -9.905 -26.341 1.00 0.00 C ATOM 1016 CE LYS A 65 15.424 -10.824 -26.198 1.00 0.00 C ATOM 1017 NZ LYS A 65 15.828 -12.239 -26.018 1.00 0.00 N ATOM 0 H LYS A 65 14.233 -7.169 -23.231 1.00 0.00 H new ATOM 0 HA LYS A 65 16.335 -8.979 -23.725 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.493 -8.242 -25.356 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.349 -6.726 -25.560 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.757 -8.277 -27.432 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.239 -7.849 -26.600 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.232 -10.227 -27.205 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.286 -10.029 -25.464 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.825 -10.504 -25.346 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.794 -10.733 -27.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.980 -12.833 -25.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.379 -12.550 -26.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.409 -12.328 -25.160 1.00 0.00 H new ATOM 1031 N LYS A 66 17.397 -5.804 -23.846 1.00 0.00 N ATOM 1032 CA LYS A 66 18.583 -4.943 -23.566 1.00 0.00 C ATOM 1033 C LYS A 66 18.027 -3.623 -22.945 1.00 0.00 C ATOM 1034 O LYS A 66 18.030 -3.481 -21.719 1.00 0.00 O ATOM 1035 CB LYS A 66 19.405 -4.671 -24.850 1.00 0.00 C ATOM 1036 CG LYS A 66 20.679 -3.839 -24.639 1.00 0.00 C ATOM 1037 CD LYS A 66 21.519 -3.724 -25.920 1.00 0.00 C ATOM 1038 CE LYS A 66 22.654 -2.691 -25.836 1.00 0.00 C ATOM 1039 NZ LYS A 66 22.132 -1.307 -25.858 1.00 0.00 N ATOM 0 H LYS A 66 16.543 -5.275 -24.020 1.00 0.00 H new ATOM 0 HA LYS A 66 19.271 -5.436 -22.879 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.682 -5.626 -25.295 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.768 -4.157 -25.570 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.406 -2.841 -24.295 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.281 -4.293 -23.852 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.947 -4.700 -26.150 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.863 -3.460 -26.749 1.00 0.00 H new ATOM 0 HE2 LYS A 66 23.225 -2.851 -24.922 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.341 -2.835 -26.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.920 -0.641 -25.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.458 -1.203 -26.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.651 -1.103 -24.959 1.00 0.00 H new ATOM 1053 N GLU A 67 17.500 -2.702 -23.776 1.00 0.00 N ATOM 1054 CA GLU A 67 16.743 -1.514 -23.291 1.00 0.00 C ATOM 1055 C GLU A 67 15.242 -1.924 -23.048 1.00 0.00 C ATOM 1056 O GLU A 67 14.949 -2.729 -22.162 1.00 0.00 O ATOM 1057 CB GLU A 67 16.794 -0.284 -24.241 1.00 0.00 C ATOM 1058 CG GLU A 67 18.111 0.521 -24.214 1.00 0.00 C ATOM 1059 CD GLU A 67 19.285 -0.273 -24.766 1.00 0.00 C ATOM 1060 OE1 GLU A 67 19.181 -0.791 -25.912 1.00 0.00 O ATOM 1061 OE2 GLU A 67 20.323 -0.371 -24.059 1.00 0.00 O ATOM 0 H GLU A 67 17.581 -2.752 -24.792 1.00 0.00 H new ATOM 0 HA GLU A 67 17.230 -1.199 -22.368 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.619 -0.627 -25.261 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.973 0.386 -23.984 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.988 1.435 -24.796 1.00 0.00 H new ATOM 0 HG3 GLU A 67 18.329 0.822 -23.189 1.00 0.00 H new ATOM 1068 N GLU A 68 14.313 -1.404 -23.863 1.00 0.00 N ATOM 1069 CA GLU A 68 12.822 -1.580 -23.788 1.00 0.00 C ATOM 1070 C GLU A 68 12.214 -0.588 -22.779 1.00 0.00 C ATOM 1071 O GLU A 68 11.343 0.221 -23.111 1.00 0.00 O ATOM 1072 CB GLU A 68 12.281 -3.004 -23.516 1.00 0.00 C ATOM 1073 CG GLU A 68 12.742 -4.037 -24.557 1.00 0.00 C ATOM 1074 CD GLU A 68 12.088 -5.374 -24.233 1.00 0.00 C ATOM 1075 OE1 GLU A 68 10.828 -5.408 -24.198 1.00 0.00 O ATOM 1076 OE2 GLU A 68 12.825 -6.369 -24.014 1.00 0.00 O ATOM 0 H GLU A 68 14.580 -0.809 -24.647 1.00 0.00 H new ATOM 0 HA GLU A 68 12.499 -1.372 -24.808 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.605 -3.326 -22.526 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.191 -2.975 -23.501 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.465 -3.713 -25.560 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.828 -4.133 -24.541 1.00 0.00 H new ATOM 1083 N ILE A 69 12.658 -0.708 -21.528 1.00 0.00 N ATOM 1084 CA ILE A 69 12.087 0.053 -20.390 1.00 0.00 C ATOM 1085 C ILE A 69 12.543 1.567 -20.437 1.00 0.00 C ATOM 1086 O ILE A 69 11.730 2.478 -20.253 1.00 0.00 O ATOM 1087 CB ILE A 69 12.607 -0.605 -19.113 1.00 0.00 C ATOM 1088 CG1 ILE A 69 12.002 -2.025 -18.928 1.00 0.00 C ATOM 1089 CG2 ILE A 69 12.437 0.306 -17.880 1.00 0.00 C ATOM 1090 CD1 ILE A 69 10.471 -2.108 -18.941 1.00 0.00 C ATOM 0 H ILE A 69 13.421 -1.331 -21.263 1.00 0.00 H new ATOM 0 HA ILE A 69 10.998 0.039 -20.432 1.00 0.00 H new ATOM 0 HB ILE A 69 13.683 -0.743 -19.219 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.388 -2.669 -19.718 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.360 -2.431 -17.982 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.820 -0.203 -16.996 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.990 1.233 -18.033 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.380 0.533 -17.738 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.162 -3.144 -18.804 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.067 -1.499 -18.133 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.095 -1.740 -19.896 1.00 0.00 H new ATOM 1102 N LYS A 70 13.840 1.806 -20.754 1.00 0.00 N ATOM 1103 CA LYS A 70 14.416 3.144 -21.070 1.00 0.00 C ATOM 1104 C LYS A 70 13.723 3.863 -22.294 1.00 0.00 C ATOM 1105 O LYS A 70 13.544 5.086 -22.260 1.00 0.00 O ATOM 1106 CB LYS A 70 15.928 3.022 -21.383 1.00 0.00 C ATOM 1107 CG LYS A 70 16.665 4.363 -21.547 1.00 0.00 C ATOM 1108 CD LYS A 70 18.164 4.195 -21.832 1.00 0.00 C ATOM 1109 CE LYS A 70 18.877 5.541 -22.033 1.00 0.00 C ATOM 1110 NZ LYS A 70 20.317 5.354 -22.325 1.00 0.00 N ATOM 0 H LYS A 70 14.533 1.059 -20.799 1.00 0.00 H new ATOM 0 HA LYS A 70 14.240 3.750 -20.181 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.406 2.457 -20.583 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.049 2.443 -22.298 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.207 4.925 -22.361 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.538 4.954 -20.640 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.630 3.660 -21.005 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.295 3.581 -22.723 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.406 6.085 -22.852 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.763 6.152 -21.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.768 6.282 -22.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.770 4.857 -21.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.425 4.792 -23.193 1.00 0.00 H new ATOM 1124 N LYS A 71 13.329 3.105 -23.344 1.00 0.00 N ATOM 1125 CA LYS A 71 12.476 3.611 -24.458 1.00 0.00 C ATOM 1126 C LYS A 71 11.061 4.085 -23.986 1.00 0.00 C ATOM 1127 O LYS A 71 10.758 5.257 -24.203 1.00 0.00 O ATOM 1128 CB LYS A 71 12.245 2.558 -25.564 1.00 0.00 C ATOM 1129 CG LYS A 71 13.541 2.048 -26.210 1.00 0.00 C ATOM 1130 CD LYS A 71 13.267 1.103 -27.391 1.00 0.00 C ATOM 1131 CE LYS A 71 14.543 0.649 -28.112 1.00 0.00 C ATOM 1132 NZ LYS A 71 14.224 -0.190 -29.293 1.00 0.00 N ATOM 0 H LYS A 71 13.591 2.125 -23.448 1.00 0.00 H new ATOM 0 HA LYS A 71 13.043 4.456 -24.849 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.703 1.712 -25.141 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.609 2.989 -26.337 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.132 2.897 -26.555 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.138 1.528 -25.461 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.731 0.226 -27.029 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.613 1.604 -28.105 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.116 1.521 -28.427 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.172 0.086 -27.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.106 -0.482 -29.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.698 -1.034 -28.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.643 0.357 -29.961 1.00 0.00 H new ATOM 1146 N MET A 72 10.231 3.251 -23.312 1.00 0.00 N ATOM 1147 CA MET A 72 8.882 3.679 -22.817 1.00 0.00 C ATOM 1148 C MET A 72 8.912 4.948 -21.869 1.00 0.00 C ATOM 1149 O MET A 72 8.106 5.863 -22.087 1.00 0.00 O ATOM 1150 CB MET A 72 8.073 2.552 -22.131 1.00 0.00 C ATOM 1151 CG MET A 72 7.325 1.586 -23.083 1.00 0.00 C ATOM 1152 SD MET A 72 8.312 0.311 -23.931 1.00 0.00 S ATOM 1153 CE MET A 72 8.430 1.121 -25.551 1.00 0.00 C ATOM 0 H MET A 72 10.463 2.282 -23.095 1.00 0.00 H new ATOM 0 HA MET A 72 8.369 3.954 -23.739 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.753 1.968 -21.511 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.344 3.009 -21.461 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.547 1.083 -22.509 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.823 2.184 -23.843 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.006 0.493 -26.231 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.429 1.271 -25.956 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.925 2.086 -25.440 1.00 0.00 H new ATOM 1163 N ILE A 73 9.848 5.060 -20.877 1.00 0.00 N ATOM 1164 CA ILE A 73 10.043 6.341 -20.107 1.00 0.00 C ATOM 1165 C ILE A 73 10.500 7.552 -21.007 1.00 0.00 C ATOM 1166 O ILE A 73 9.972 8.647 -20.824 1.00 0.00 O ATOM 1167 CB ILE A 73 11.095 6.174 -19.004 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.738 5.042 -18.010 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.345 7.500 -18.246 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.467 5.279 -17.184 1.00 0.00 C ATOM 0 H ILE A 73 10.468 4.301 -20.593 1.00 0.00 H new ATOM 0 HA ILE A 73 9.062 6.562 -19.687 1.00 0.00 H new ATOM 0 HB ILE A 73 12.018 5.887 -19.508 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.622 4.113 -18.568 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.576 4.902 -17.327 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.096 7.341 -17.473 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.699 8.258 -18.945 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.416 7.837 -17.786 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.302 4.432 -16.519 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.581 6.188 -16.593 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.613 5.386 -17.853 1.00 0.00 H new ATOM 1182 N SER A 74 11.451 7.377 -21.950 1.00 0.00 N ATOM 1183 CA SER A 74 11.876 8.450 -22.905 1.00 0.00 C ATOM 1184 C SER A 74 10.790 8.920 -23.942 1.00 0.00 C ATOM 1185 O SER A 74 10.701 10.109 -24.259 1.00 0.00 O ATOM 1186 CB SER A 74 13.114 8.039 -23.734 1.00 0.00 C ATOM 1187 OG SER A 74 14.186 7.652 -22.883 1.00 0.00 O ATOM 0 H SER A 74 11.950 6.497 -22.079 1.00 0.00 H new ATOM 0 HA SER A 74 12.086 9.279 -22.229 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.855 7.214 -24.398 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.427 8.871 -24.365 1.00 0.00 H new ATOM 0 HG SER A 74 14.054 6.726 -22.591 1.00 0.00 H new ATOM 1193 N GLU A 75 9.978 7.984 -24.460 1.00 0.00 N ATOM 1194 CA GLU A 75 8.770 8.249 -25.285 1.00 0.00 C ATOM 1195 C GLU A 75 7.701 9.148 -24.578 1.00 0.00 C ATOM 1196 O GLU A 75 7.356 10.202 -25.122 1.00 0.00 O ATOM 1197 CB GLU A 75 8.095 6.925 -25.713 1.00 0.00 C ATOM 1198 CG GLU A 75 8.958 6.123 -26.711 1.00 0.00 C ATOM 1199 CD GLU A 75 8.505 4.666 -26.812 1.00 0.00 C ATOM 1200 OE1 GLU A 75 7.452 4.312 -26.217 1.00 0.00 O ATOM 1201 OE2 GLU A 75 9.232 3.880 -27.477 1.00 0.00 O ATOM 0 H GLU A 75 10.142 6.988 -24.316 1.00 0.00 H new ATOM 0 HA GLU A 75 9.135 8.797 -26.154 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.904 6.315 -24.830 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.128 7.143 -26.166 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.904 6.589 -27.695 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.002 6.158 -26.399 1.00 0.00 H new ATOM 1208 N ILE A 76 7.169 8.760 -23.393 1.00 0.00 N ATOM 1209 CA ILE A 76 6.127 9.574 -22.680 1.00 0.00 C ATOM 1210 C ILE A 76 6.710 10.795 -21.862 1.00 0.00 C ATOM 1211 O ILE A 76 6.050 11.837 -21.815 1.00 0.00 O ATOM 1212 CB ILE A 76 5.261 8.652 -21.816 1.00 0.00 C ATOM 1213 CG1 ILE A 76 4.595 7.600 -22.750 1.00 0.00 C ATOM 1214 CG2 ILE A 76 4.204 9.448 -21.013 1.00 0.00 C ATOM 1215 CD1 ILE A 76 3.768 6.533 -22.031 1.00 0.00 C ATOM 0 H ILE A 76 7.433 7.902 -22.908 1.00 0.00 H new ATOM 0 HA ILE A 76 5.503 10.041 -23.442 1.00 0.00 H new ATOM 0 HB ILE A 76 5.885 8.148 -21.078 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.952 8.121 -23.459 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.374 7.105 -23.330 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.609 8.760 -20.412 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.705 10.161 -20.358 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.552 9.985 -21.702 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.344 5.846 -22.764 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.407 5.980 -21.342 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.962 7.011 -21.474 1.00 0.00 H new ATOM 1227 N ASP A 77 7.897 10.698 -21.225 1.00 0.00 N ATOM 1228 CA ASP A 77 8.608 11.866 -20.619 1.00 0.00 C ATOM 1229 C ASP A 77 9.707 12.334 -21.641 1.00 0.00 C ATOM 1230 O ASP A 77 10.845 11.850 -21.646 1.00 0.00 O ATOM 1231 CB ASP A 77 9.255 11.467 -19.262 1.00 0.00 C ATOM 1232 CG ASP A 77 9.739 12.668 -18.452 1.00 0.00 C ATOM 1233 OD1 ASP A 77 9.574 13.821 -18.926 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.262 12.437 -17.327 1.00 0.00 O ATOM 0 H ASP A 77 8.395 9.815 -21.112 1.00 0.00 H new ATOM 0 HA ASP A 77 7.907 12.676 -20.419 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.530 10.907 -18.672 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.097 10.800 -19.450 1.00 0.00 H new ATOM 1239 N LYS A 78 9.324 13.253 -22.548 1.00 0.00 N ATOM 1240 CA LYS A 78 10.166 13.644 -23.716 1.00 0.00 C ATOM 1241 C LYS A 78 11.183 14.799 -23.437 1.00 0.00 C ATOM 1242 O LYS A 78 12.386 14.617 -23.642 1.00 0.00 O ATOM 1243 CB LYS A 78 9.242 14.040 -24.891 1.00 0.00 C ATOM 1244 CG LYS A 78 9.956 14.393 -26.203 1.00 0.00 C ATOM 1245 CD LYS A 78 8.966 14.621 -27.356 1.00 0.00 C ATOM 1246 CE LYS A 78 9.559 15.385 -28.548 1.00 0.00 C ATOM 1247 NZ LYS A 78 9.784 16.809 -28.213 1.00 0.00 N ATOM 0 H LYS A 78 8.433 13.746 -22.501 1.00 0.00 H new ATOM 0 HA LYS A 78 10.775 12.772 -23.956 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.554 13.217 -25.082 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.639 14.895 -24.584 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.556 15.291 -26.058 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.643 13.590 -26.469 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.600 13.655 -27.703 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.104 15.171 -26.978 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.502 14.925 -28.845 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.885 15.312 -29.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.989 17.342 -29.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.932 17.198 -27.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.589 16.889 -27.560 1.00 0.00 H new ATOM 1261 N GLU A 79 10.696 15.981 -23.030 1.00 0.00 N ATOM 1262 CA GLU A 79 11.557 17.130 -22.629 1.00 0.00 C ATOM 1263 C GLU A 79 11.898 17.044 -21.106 1.00 0.00 C ATOM 1264 O GLU A 79 13.074 16.958 -20.740 1.00 0.00 O ATOM 1265 CB GLU A 79 10.886 18.502 -22.902 1.00 0.00 C ATOM 1266 CG GLU A 79 11.132 19.063 -24.319 1.00 0.00 C ATOM 1267 CD GLU A 79 10.605 18.138 -25.408 1.00 0.00 C ATOM 1268 OE1 GLU A 79 9.369 17.898 -25.458 1.00 0.00 O ATOM 1269 OE2 GLU A 79 11.430 17.660 -26.235 1.00 0.00 O ATOM 0 H GLU A 79 9.697 16.178 -22.966 1.00 0.00 H new ATOM 0 HA GLU A 79 12.461 17.063 -23.234 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.812 18.405 -22.745 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.251 19.223 -22.171 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.652 20.037 -24.410 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.201 19.220 -24.465 1.00 0.00 H new ATOM 1276 N GLY A 80 10.878 17.058 -20.233 1.00 0.00 N ATOM 1277 CA GLY A 80 11.068 16.759 -18.788 1.00 0.00 C ATOM 1278 C GLY A 80 9.845 16.947 -17.864 1.00 0.00 C ATOM 1279 O GLY A 80 10.005 17.503 -16.775 1.00 0.00 O ATOM 0 H GLY A 80 9.915 17.271 -20.492 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.405 15.726 -18.698 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.874 17.391 -18.415 1.00 0.00 H new ATOM 1283 N THR A 81 8.649 16.472 -18.258 1.00 0.00 N ATOM 1284 CA THR A 81 7.445 16.455 -17.364 1.00 0.00 C ATOM 1285 C THR A 81 6.576 15.197 -17.698 1.00 0.00 C ATOM 1286 O THR A 81 5.822 15.218 -18.678 1.00 0.00 O ATOM 1287 CB THR A 81 6.548 17.688 -17.513 1.00 0.00 C ATOM 1288 OG1 THR A 81 6.335 18.015 -18.884 1.00 0.00 O ATOM 1289 CG2 THR A 81 7.177 18.904 -16.803 1.00 0.00 C ATOM 0 H THR A 81 8.476 16.091 -19.188 1.00 0.00 H new ATOM 0 HA THR A 81 7.826 16.441 -16.343 1.00 0.00 H new ATOM 0 HB THR A 81 5.589 17.446 -17.054 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.061 17.211 -19.373 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.526 19.770 -16.920 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.300 18.683 -15.743 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.150 19.120 -17.244 1.00 0.00 H new ATOM 1297 N GLY A 82 6.635 14.117 -16.887 1.00 0.00 N ATOM 1298 CA GLY A 82 5.959 12.840 -17.231 1.00 0.00 C ATOM 1299 C GLY A 82 4.829 12.443 -16.271 1.00 0.00 C ATOM 1300 O GLY A 82 5.025 12.072 -15.111 1.00 0.00 O ATOM 0 H GLY A 82 7.137 14.100 -15.999 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.552 12.918 -18.239 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.702 12.043 -17.248 1.00 0.00 H new ATOM 1304 N LYS A 83 3.636 12.478 -16.837 1.00 0.00 N ATOM 1305 CA LYS A 83 2.405 11.935 -16.210 1.00 0.00 C ATOM 1306 C LYS A 83 1.790 10.896 -17.185 1.00 0.00 C ATOM 1307 O LYS A 83 1.594 11.178 -18.371 1.00 0.00 O ATOM 1308 CB LYS A 83 1.289 12.979 -15.965 1.00 0.00 C ATOM 1309 CG LYS A 83 1.548 13.894 -14.760 1.00 0.00 C ATOM 1310 CD LYS A 83 0.324 14.763 -14.416 1.00 0.00 C ATOM 1311 CE LYS A 83 0.190 15.107 -12.923 1.00 0.00 C ATOM 1312 NZ LYS A 83 -0.200 13.927 -12.116 1.00 0.00 N ATOM 0 H LYS A 83 3.474 12.886 -17.758 1.00 0.00 H new ATOM 0 HA LYS A 83 2.716 11.534 -15.245 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.177 13.594 -16.858 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.343 12.458 -15.816 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.815 13.286 -13.895 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.401 14.539 -14.972 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.380 15.690 -14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.578 14.243 -14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.137 15.501 -12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.553 15.894 -12.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.059 14.086 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.227 13.782 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.295 13.084 -12.472 1.00 0.00 H new ATOM 1326 N MET A 84 1.471 9.703 -16.668 1.00 0.00 N ATOM 1327 CA MET A 84 0.841 8.632 -17.475 1.00 0.00 C ATOM 1328 C MET A 84 -0.584 8.323 -16.951 1.00 0.00 C ATOM 1329 O MET A 84 -0.753 7.984 -15.774 1.00 0.00 O ATOM 1330 CB MET A 84 1.684 7.336 -17.388 1.00 0.00 C ATOM 1331 CG MET A 84 1.107 6.115 -18.122 1.00 0.00 C ATOM 1332 SD MET A 84 2.016 4.586 -17.788 1.00 0.00 S ATOM 1333 CE MET A 84 3.109 4.678 -19.228 1.00 0.00 C ATOM 0 H MET A 84 1.636 9.448 -15.694 1.00 0.00 H new ATOM 0 HA MET A 84 0.786 8.977 -18.508 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.676 7.542 -17.789 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.812 7.078 -16.337 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.066 5.982 -17.829 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.114 6.307 -19.195 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.824 3.856 -19.195 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.516 4.607 -20.140 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.646 5.626 -19.217 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.580 8.342 -17.847 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.944 7.842 -17.529 1.00 0.00 C ATOM 1345 C ASN A 85 -3.070 6.386 -18.104 1.00 0.00 C ATOM 1346 O ASN A 85 -2.206 5.884 -18.835 1.00 0.00 O ATOM 1347 CB ASN A 85 -4.135 8.765 -17.948 1.00 0.00 C ATOM 1348 CG ASN A 85 -4.716 8.541 -19.358 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.737 7.854 -19.494 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -4.070 9.118 -20.408 1.00 0.00 N ATOM 0 H ASN A 85 -1.477 8.695 -18.798 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.041 7.843 -16.443 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.939 8.635 -17.223 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.805 9.801 -17.876 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.424 8.992 -21.356 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.232 9.676 -20.247 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.137 5.649 -17.750 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.278 4.232 -18.229 1.00 0.00 C ATOM 1359 C PHE A 86 -4.571 4.089 -19.768 1.00 0.00 C ATOM 1360 O PHE A 86 -4.398 2.991 -20.305 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.340 3.439 -17.408 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.227 1.941 -17.613 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.024 1.265 -17.338 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.308 1.205 -18.134 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -3.892 -0.103 -17.600 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -6.179 -0.165 -18.397 1.00 0.00 C ATOM 1367 CZ PHE A 86 -4.969 -0.818 -18.137 1.00 0.00 C ATOM 0 H PHE A 86 -4.897 5.980 -17.156 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.294 3.795 -18.060 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.222 3.668 -16.349 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.338 3.768 -17.696 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.191 1.810 -16.919 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.246 1.701 -18.333 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.960 -0.607 -17.388 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.014 -0.718 -18.801 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.866 -1.872 -18.350 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.066 5.133 -20.468 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.146 5.133 -21.949 1.00 0.00 C ATOM 1379 C GLY A 87 -3.723 5.230 -22.576 1.00 0.00 C ATOM 1380 O GLY A 87 -3.398 4.454 -23.473 1.00 0.00 O ATOM 0 H GLY A 87 -5.416 5.987 -20.034 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.639 4.223 -22.292 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.755 5.972 -22.286 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.853 6.112 -22.036 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.408 6.169 -22.363 1.00 0.00 C ATOM 1386 C ASP A 88 -0.632 4.815 -22.128 1.00 0.00 C ATOM 1387 O ASP A 88 0.165 4.415 -22.984 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.591 7.203 -21.540 1.00 0.00 C ATOM 1389 CG ASP A 88 -1.173 8.609 -21.603 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.539 9.065 -22.716 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -1.274 9.243 -20.516 1.00 0.00 O ATOM 0 H ASP A 88 -3.137 6.814 -21.352 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.458 6.440 -23.418 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.549 6.880 -20.500 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.435 7.224 -21.909 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.872 4.099 -21.000 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.205 2.811 -20.685 1.00 0.00 C ATOM 1398 C PHE A 89 -0.690 1.604 -21.552 1.00 0.00 C ATOM 1399 O PHE A 89 0.135 0.876 -22.111 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.387 2.382 -19.202 1.00 0.00 C ATOM 1401 CG PHE A 89 0.682 1.435 -18.665 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.978 1.299 -19.216 1.00 0.00 C ATOM 1403 CD2 PHE A 89 0.394 0.730 -17.483 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.956 0.524 -18.578 1.00 0.00 C ATOM 1405 CE2 PHE A 89 1.377 -0.020 -16.829 1.00 0.00 C ATOM 1406 CZ PHE A 89 2.660 -0.124 -17.376 1.00 0.00 C ATOM 0 H PHE A 89 -1.533 4.399 -20.284 1.00 0.00 H new ATOM 0 HA PHE A 89 0.840 3.026 -20.908 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.402 3.277 -18.581 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.361 1.903 -19.096 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.217 1.800 -20.142 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.604 0.768 -17.073 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.939 0.428 -19.016 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.145 -0.520 -15.900 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.419 -0.703 -16.871 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.017 1.416 -21.687 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.614 0.397 -22.594 1.00 0.00 C ATOM 1418 C LEU A 90 -2.358 0.620 -24.129 1.00 0.00 C ATOM 1419 O LEU A 90 -2.129 -0.360 -24.849 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.146 0.340 -22.361 1.00 0.00 C ATOM 1421 CG LEU A 90 -4.846 -0.961 -22.816 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.410 -2.176 -21.971 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.378 -0.800 -22.778 1.00 0.00 C ATOM 0 H LEU A 90 -2.710 1.961 -21.175 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.113 -0.536 -22.337 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.339 0.481 -21.298 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.606 1.180 -22.883 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.539 -1.149 -23.845 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.926 -3.069 -22.324 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.333 -2.317 -22.066 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.662 -2.001 -20.925 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.849 -1.728 -23.102 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.694 -0.568 -21.761 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.675 0.010 -23.444 1.00 0.00 H new ATOM 1435 N THR A 91 -2.333 1.873 -24.639 1.00 0.00 N ATOM 1436 CA THR A 91 -1.881 2.180 -26.033 1.00 0.00 C ATOM 1437 C THR A 91 -0.368 1.864 -26.248 1.00 0.00 C ATOM 1438 O THR A 91 -0.064 1.115 -27.175 1.00 0.00 O ATOM 1439 CB THR A 91 -2.185 3.586 -26.539 1.00 0.00 C ATOM 1440 OG1 THR A 91 -1.634 4.588 -25.692 1.00 0.00 O ATOM 1441 CG2 THR A 91 -3.716 3.753 -26.644 1.00 0.00 C ATOM 0 H THR A 91 -2.620 2.697 -24.110 1.00 0.00 H new ATOM 0 HA THR A 91 -2.492 1.508 -26.635 1.00 0.00 H new ATOM 0 HB THR A 91 -1.723 3.711 -27.518 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.163 4.648 -24.869 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.949 4.755 -27.005 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.116 3.015 -27.339 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.166 3.608 -25.662 1.00 0.00 H new ATOM 1449 N VAL A 92 0.569 2.383 -25.425 1.00 0.00 N ATOM 1450 CA VAL A 92 2.033 2.066 -25.569 1.00 0.00 C ATOM 1451 C VAL A 92 2.399 0.544 -25.396 1.00 0.00 C ATOM 1452 O VAL A 92 3.148 0.012 -26.220 1.00 0.00 O ATOM 1453 CB VAL A 92 2.940 2.981 -24.739 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.925 2.637 -23.234 1.00 0.00 C ATOM 1455 CG2 VAL A 92 4.367 2.975 -25.327 1.00 0.00 C ATOM 0 H VAL A 92 0.355 3.019 -24.657 1.00 0.00 H new ATOM 0 HA VAL A 92 2.241 2.288 -26.616 1.00 0.00 H new ATOM 0 HB VAL A 92 2.543 3.994 -24.803 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.586 3.319 -22.698 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.911 2.737 -22.848 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.268 1.612 -23.092 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.008 3.627 -24.733 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.764 1.960 -25.308 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.338 3.334 -26.356 1.00 0.00 H new ATOM 1465 N MET A 93 1.848 -0.165 -24.389 1.00 0.00 N ATOM 1466 CA MET A 93 1.991 -1.650 -24.254 1.00 0.00 C ATOM 1467 C MET A 93 1.428 -2.487 -25.459 1.00 0.00 C ATOM 1468 O MET A 93 2.162 -3.315 -26.006 1.00 0.00 O ATOM 1469 CB MET A 93 1.283 -2.192 -22.991 1.00 0.00 C ATOM 1470 CG MET A 93 1.531 -3.691 -22.729 1.00 0.00 C ATOM 1471 SD MET A 93 3.275 -4.082 -22.370 1.00 0.00 S ATOM 1472 CE MET A 93 2.985 -5.817 -21.929 1.00 0.00 C ATOM 0 H MET A 93 1.294 0.261 -23.646 1.00 0.00 H new ATOM 0 HA MET A 93 3.072 -1.778 -24.207 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.619 -1.622 -22.125 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.211 -2.023 -23.087 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.914 -4.013 -21.890 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.210 -4.263 -23.599 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.919 -6.268 -21.594 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.248 -5.870 -21.127 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.613 -6.357 -22.800 1.00 0.00 H new ATOM 1482 N THR A 94 0.168 -2.263 -25.886 1.00 0.00 N ATOM 1483 CA THR A 94 -0.408 -2.866 -27.133 1.00 0.00 C ATOM 1484 C THR A 94 0.367 -2.504 -28.449 1.00 0.00 C ATOM 1485 O THR A 94 0.836 -3.423 -29.120 1.00 0.00 O ATOM 1486 CB THR A 94 -1.841 -2.377 -27.348 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.593 -2.574 -26.167 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.577 -3.112 -28.487 1.00 0.00 C ATOM 0 H THR A 94 -0.487 -1.662 -25.386 1.00 0.00 H new ATOM 0 HA THR A 94 -0.341 -3.941 -26.966 1.00 0.00 H new ATOM 0 HB THR A 94 -1.760 -1.323 -27.615 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.394 -1.857 -25.529 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.587 -2.714 -28.583 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.038 -2.965 -29.423 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.626 -4.177 -28.261 1.00 0.00 H new ATOM 1496 N GLN A 95 0.561 -1.205 -28.786 1.00 0.00 N ATOM 1497 CA GLN A 95 1.434 -0.760 -29.916 1.00 0.00 C ATOM 1498 C GLN A 95 2.894 -1.340 -29.948 1.00 0.00 C ATOM 1499 O GLN A 95 3.391 -1.661 -31.030 1.00 0.00 O ATOM 1500 CB GLN A 95 1.538 0.786 -29.934 1.00 0.00 C ATOM 1501 CG GLN A 95 2.187 1.379 -31.199 1.00 0.00 C ATOM 1502 CD GLN A 95 2.168 2.908 -31.115 1.00 0.00 C ATOM 1503 OE1 GLN A 95 1.696 3.491 -30.132 1.00 0.00 O ATOM 1504 NE2 GLN A 95 2.698 3.571 -32.186 1.00 0.00 N ATOM 0 H GLN A 95 0.120 -0.432 -28.287 1.00 0.00 H new ATOM 0 HA GLN A 95 0.932 -1.163 -30.796 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.537 1.204 -29.827 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.112 1.107 -29.065 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.212 1.022 -31.296 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.649 1.046 -32.087 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.076 3.046 -32.975 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.716 4.591 -32.197 1.00 0.00 H new ATOM 1513 N LYS A 96 3.572 -1.477 -28.793 1.00 0.00 N ATOM 1514 CA LYS A 96 4.864 -2.212 -28.692 1.00 0.00 C ATOM 1515 C LYS A 96 4.721 -3.766 -28.885 1.00 0.00 C ATOM 1516 O LYS A 96 5.391 -4.321 -29.760 1.00 0.00 O ATOM 1517 CB LYS A 96 5.519 -1.921 -27.308 1.00 0.00 C ATOM 1518 CG LYS A 96 7.001 -2.306 -27.095 1.00 0.00 C ATOM 1519 CD LYS A 96 7.279 -3.812 -26.954 1.00 0.00 C ATOM 1520 CE LYS A 96 8.648 -4.183 -26.370 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.734 -3.881 -24.923 1.00 0.00 N ATOM 0 H LYS A 96 3.250 -1.088 -27.907 1.00 0.00 H new ATOM 0 HA LYS A 96 5.492 -1.852 -29.507 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.424 -0.853 -27.115 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.931 -2.436 -26.549 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.582 -1.924 -27.934 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.364 -1.802 -26.200 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.505 -4.248 -26.323 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.187 -4.274 -27.937 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.835 -5.245 -26.530 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.428 -3.638 -26.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.675 -4.147 -24.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.581 -2.864 -24.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.006 -4.420 -24.412 1.00 0.00 H new ATOM 1535 N MET A 97 3.943 -4.475 -28.043 1.00 0.00 N ATOM 1536 CA MET A 97 3.905 -5.972 -28.032 1.00 0.00 C ATOM 1537 C MET A 97 3.026 -6.650 -29.138 1.00 0.00 C ATOM 1538 O MET A 97 3.538 -7.531 -29.833 1.00 0.00 O ATOM 1539 CB MET A 97 3.538 -6.584 -26.666 1.00 0.00 C ATOM 1540 CG MET A 97 4.638 -6.350 -25.614 1.00 0.00 C ATOM 1541 SD MET A 97 4.721 -7.630 -24.326 1.00 0.00 S ATOM 1542 CE MET A 97 6.184 -6.944 -23.495 1.00 0.00 C ATOM 0 H MET A 97 3.326 -4.043 -27.355 1.00 0.00 H new ATOM 0 HA MET A 97 4.945 -6.200 -28.265 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.602 -6.150 -26.314 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.369 -7.655 -26.782 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.602 -6.295 -26.119 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.472 -5.383 -25.139 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.445 -7.570 -22.642 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.020 -6.916 -24.194 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.966 -5.933 -23.150 1.00 0.00 H new ATOM 1552 N SER A 98 1.714 -6.359 -29.217 1.00 0.00 N ATOM 1553 CA SER A 98 0.800 -6.961 -30.224 1.00 0.00 C ATOM 1554 C SER A 98 0.888 -6.287 -31.625 1.00 0.00 C ATOM 1555 O SER A 98 1.319 -6.965 -32.591 1.00 0.00 O ATOM 1556 CB SER A 98 -0.666 -6.993 -29.756 1.00 0.00 C ATOM 1557 OG SER A 98 -1.085 -5.685 -29.414 1.00 0.00 O ATOM 1558 OXT SER A 98 0.471 -5.103 -31.721 1.00 0.00 O ATOM 0 H SER A 98 1.252 -5.702 -28.589 1.00 0.00 H new ATOM 0 HA SER A 98 1.153 -7.987 -30.326 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.301 -7.394 -30.545 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.769 -7.655 -28.896 1.00 0.00 H new ATOM 0 HG SER A 98 -0.615 -5.034 -29.975 1.00 0.00 H new