USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 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 29 GLN : amide:sc= -0.0208 K(o=0.92,f=-0.54!) USER MOD Set 1.2: A 93 MET CE :methyl -174:sc= -0.327 (180deg=-0.386) USER MOD Set 1.3: A 96 LYS NZ :NH3+ 138:sc= 1.27 (180deg=1.15) USER MOD Set 1.4: A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 THR OG1 : rot -120:sc= 0.00156 USER MOD Set 2.2: A 83 LYS NZ :NH3+ 156:sc= 1.07 (180deg=0.109!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -105:sc= 0.952 (180deg=0.0223) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 63:sc= 1.19 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 158:sc=-0.00824 (180deg=-0.649) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.864) 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 167:sc= 0 (180deg=-0.0449) USER MOD Single : A 74 SER OG : rot 75:sc= 1.29 USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.578) USER MOD Single : A 81 THR OG1 : rot 53:sc= 0.26 USER MOD Single : A 84 MET CE :methyl -174:sc= -0.216 (180deg=-0.293) USER MOD Single : A 85 ASN : amide:sc= 0.96 K(o=0.96,f=-2.4!) USER MOD Single : A 91 THR OG1 : rot -75:sc= 0.977 USER MOD Single : A 94 THR OG1 : rot 80:sc= 0.494 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 98 SER OG : rot 32:sc= 0.348 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -4.479 -7.316 -26.320 1.00 0.00 N ATOM 384 CA LEU A 25 -3.746 -7.963 -25.197 1.00 0.00 C ATOM 385 C LEU A 25 -4.582 -9.156 -24.616 1.00 0.00 C ATOM 386 O LEU A 25 -5.814 -9.066 -24.524 1.00 0.00 O ATOM 387 CB LEU A 25 -3.409 -7.055 -23.983 1.00 0.00 C ATOM 388 CG LEU A 25 -3.065 -5.580 -24.288 1.00 0.00 C ATOM 389 CD1 LEU A 25 -4.334 -4.709 -24.356 1.00 0.00 C ATOM 390 CD2 LEU A 25 -2.107 -5.008 -23.226 1.00 0.00 C ATOM 0 HA LEU A 25 -2.806 -8.264 -25.660 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.259 -7.071 -23.301 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.566 -7.497 -23.452 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.575 -5.559 -25.261 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.056 -3.677 -24.572 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.989 -5.081 -25.144 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.856 -4.751 -23.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.880 -3.969 -23.463 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.578 -5.062 -22.244 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.184 -5.588 -23.218 1.00 0.00 H new ATOM 402 N THR A 26 -3.956 -10.280 -24.199 1.00 0.00 N ATOM 403 CA THR A 26 -4.724 -11.525 -23.845 1.00 0.00 C ATOM 404 C THR A 26 -5.127 -11.462 -22.335 1.00 0.00 C ATOM 405 O THR A 26 -5.714 -10.476 -21.881 1.00 0.00 O ATOM 406 CB THR A 26 -3.925 -12.773 -24.205 1.00 0.00 C ATOM 407 OG1 THR A 26 -2.612 -12.727 -23.647 1.00 0.00 O ATOM 408 CG2 THR A 26 -3.814 -12.843 -25.743 1.00 0.00 C ATOM 0 H THR A 26 -2.945 -10.365 -24.096 1.00 0.00 H new ATOM 0 HA THR A 26 -5.642 -11.583 -24.429 1.00 0.00 H new ATOM 0 HB THR A 26 -4.434 -13.649 -23.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.124 -13.540 -23.893 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.246 -13.729 -26.027 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.812 -12.898 -26.178 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.306 -11.952 -26.112 1.00 0.00 H new ATOM 416 N GLU A 27 -4.833 -12.506 -21.561 1.00 0.00 N ATOM 417 CA GLU A 27 -5.342 -12.675 -20.178 1.00 0.00 C ATOM 418 C GLU A 27 -4.246 -12.261 -19.147 1.00 0.00 C ATOM 419 O GLU A 27 -4.427 -11.292 -18.402 1.00 0.00 O ATOM 420 CB GLU A 27 -5.743 -14.142 -19.862 1.00 0.00 C ATOM 421 CG GLU A 27 -6.873 -14.721 -20.743 1.00 0.00 C ATOM 422 CD GLU A 27 -6.393 -14.980 -22.171 1.00 0.00 C ATOM 423 OE1 GLU A 27 -5.336 -15.647 -22.326 1.00 0.00 O ATOM 424 OE2 GLU A 27 -7.051 -14.480 -23.121 1.00 0.00 O ATOM 0 H GLU A 27 -4.231 -13.270 -21.868 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.225 -12.041 -20.101 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.861 -14.774 -19.969 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.052 -14.200 -18.818 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.236 -15.651 -20.306 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.714 -14.027 -20.761 1.00 0.00 H new ATOM 431 N GLU A 28 -3.086 -12.945 -19.182 1.00 0.00 N ATOM 432 CA GLU A 28 -1.872 -12.562 -18.414 1.00 0.00 C ATOM 433 C GLU A 28 -1.306 -11.143 -18.759 1.00 0.00 C ATOM 434 O GLU A 28 -1.109 -10.364 -17.828 1.00 0.00 O ATOM 435 CB GLU A 28 -0.763 -13.617 -18.623 1.00 0.00 C ATOM 436 CG GLU A 28 0.465 -13.459 -17.710 1.00 0.00 C ATOM 437 CD GLU A 28 1.349 -14.691 -17.878 1.00 0.00 C ATOM 438 OE1 GLU A 28 1.787 -14.950 -19.029 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.574 -15.403 -16.862 1.00 0.00 O ATOM 0 H GLU A 28 -2.958 -13.785 -19.746 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.186 -12.521 -17.371 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.190 -14.607 -18.464 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.433 -13.575 -19.661 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.018 -12.557 -17.970 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.154 -13.354 -16.671 1.00 0.00 H new ATOM 446 N GLN A 29 -1.108 -10.761 -20.046 1.00 0.00 N ATOM 447 CA GLN A 29 -0.561 -9.414 -20.401 1.00 0.00 C ATOM 448 C GLN A 29 -1.449 -8.199 -19.951 1.00 0.00 C ATOM 449 O GLN A 29 -0.928 -7.210 -19.423 1.00 0.00 O ATOM 450 CB GLN A 29 -0.455 -9.360 -21.944 1.00 0.00 C ATOM 451 CG GLN A 29 0.314 -8.158 -22.515 1.00 0.00 C ATOM 452 CD GLN A 29 0.180 -8.168 -24.042 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.428 -9.078 -24.620 1.00 0.00 O ATOM 454 NE2 GLN A 29 0.739 -7.114 -24.704 1.00 0.00 N ATOM 0 H GLN A 29 -1.314 -11.354 -20.850 1.00 0.00 H new ATOM 0 HA GLN A 29 0.390 -9.313 -19.879 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.027 -10.274 -22.289 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.463 -9.355 -22.360 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.082 -7.228 -22.107 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.364 -8.210 -22.228 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.231 -6.388 -24.183 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.665 -7.052 -25.719 1.00 0.00 H new ATOM 463 N LYS A 30 -2.777 -8.285 -20.161 1.00 0.00 N ATOM 464 CA LYS A 30 -3.778 -7.300 -19.667 1.00 0.00 C ATOM 465 C LYS A 30 -3.819 -7.169 -18.104 1.00 0.00 C ATOM 466 O LYS A 30 -3.678 -6.059 -17.568 1.00 0.00 O ATOM 467 CB LYS A 30 -5.160 -7.713 -20.221 1.00 0.00 C ATOM 468 CG LYS A 30 -6.286 -6.669 -20.133 1.00 0.00 C ATOM 469 CD LYS A 30 -7.479 -7.056 -21.030 1.00 0.00 C ATOM 470 CE LYS A 30 -7.291 -6.648 -22.507 1.00 0.00 C ATOM 471 NZ LYS A 30 -8.009 -7.540 -23.447 1.00 0.00 N ATOM 0 H LYS A 30 -3.198 -9.051 -20.687 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.488 -6.312 -20.024 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.036 -7.991 -21.268 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.485 -8.608 -19.690 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.620 -6.577 -19.099 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.904 -5.693 -20.433 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.631 -8.134 -20.975 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.383 -6.586 -20.643 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.643 -5.625 -22.644 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.228 -6.654 -22.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.327 -8.168 -23.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.701 -8.112 -22.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.503 -6.967 -24.160 1.00 0.00 H new ATOM 485 N GLN A 31 -3.948 -8.308 -17.387 1.00 0.00 N ATOM 486 CA GLN A 31 -3.762 -8.360 -15.911 1.00 0.00 C ATOM 487 C GLN A 31 -2.379 -7.805 -15.415 1.00 0.00 C ATOM 488 O GLN A 31 -2.390 -6.981 -14.504 1.00 0.00 O ATOM 489 CB GLN A 31 -3.877 -9.824 -15.419 1.00 0.00 C ATOM 490 CG GLN A 31 -3.849 -10.001 -13.890 1.00 0.00 C ATOM 491 CD GLN A 31 -3.972 -11.491 -13.552 1.00 0.00 C ATOM 492 OE1 GLN A 31 -4.998 -11.934 -13.022 1.00 0.00 O ATOM 493 NE2 GLN A 31 -2.899 -12.273 -13.872 1.00 0.00 N ATOM 0 H GLN A 31 -4.181 -9.209 -17.805 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.544 -7.721 -15.500 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.805 -10.248 -15.802 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.060 -10.402 -15.852 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.921 -9.599 -13.482 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.666 -9.444 -13.432 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.077 -11.857 -14.308 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.920 -13.273 -13.675 1.00 0.00 H new ATOM 502 N GLU A 32 -1.226 -8.182 -16.012 1.00 0.00 N ATOM 503 CA GLU A 32 0.115 -7.601 -15.667 1.00 0.00 C ATOM 504 C GLU A 32 0.228 -6.049 -15.709 1.00 0.00 C ATOM 505 O GLU A 32 0.686 -5.437 -14.734 1.00 0.00 O ATOM 506 CB GLU A 32 1.246 -8.126 -16.582 1.00 0.00 C ATOM 507 CG GLU A 32 1.670 -9.574 -16.290 1.00 0.00 C ATOM 508 CD GLU A 32 2.756 -9.962 -17.289 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.454 -9.967 -18.514 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.902 -10.231 -16.845 1.00 0.00 O ATOM 0 H GLU A 32 -1.186 -8.892 -16.743 1.00 0.00 H new ATOM 0 HA GLU A 32 0.224 -7.931 -14.634 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.920 -8.057 -17.620 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.115 -7.476 -16.476 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.043 -9.663 -15.270 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.816 -10.245 -16.377 1.00 0.00 H new ATOM 517 N ILE A 33 -0.147 -5.419 -16.839 1.00 0.00 N ATOM 518 CA ILE A 33 0.046 -3.939 -16.990 1.00 0.00 C ATOM 519 C ILE A 33 -0.990 -3.133 -16.100 1.00 0.00 C ATOM 520 O ILE A 33 -0.583 -2.134 -15.500 1.00 0.00 O ATOM 521 CB ILE A 33 0.278 -3.327 -18.358 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.973 -2.978 -19.203 1.00 0.00 C ATOM 523 CG2 ILE A 33 1.315 -4.219 -19.056 1.00 0.00 C ATOM 524 CD1 ILE A 33 -1.780 -4.177 -19.679 1.00 0.00 C ATOM 0 H ILE A 33 -0.572 -5.881 -17.643 1.00 0.00 H new ATOM 0 HA ILE A 33 1.058 -3.819 -16.603 1.00 0.00 H new ATOM 0 HB ILE A 33 0.658 -2.314 -18.227 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.623 -2.332 -18.613 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.657 -2.403 -20.073 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.523 -3.825 -20.051 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.235 -4.233 -18.472 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.924 -5.233 -19.141 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.635 -3.832 -20.261 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.151 -4.815 -20.300 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.133 -4.743 -18.817 1.00 0.00 H new ATOM 536 N ARG A 34 -2.285 -3.539 -15.958 1.00 0.00 N ATOM 537 CA ARG A 34 -3.188 -2.930 -14.936 1.00 0.00 C ATOM 538 C ARG A 34 -2.817 -3.339 -13.470 1.00 0.00 C ATOM 539 O ARG A 34 -2.984 -2.465 -12.632 1.00 0.00 O ATOM 540 CB ARG A 34 -4.696 -3.234 -15.170 1.00 0.00 C ATOM 541 CG ARG A 34 -5.683 -2.493 -14.228 1.00 0.00 C ATOM 542 CD ARG A 34 -5.676 -0.954 -14.351 1.00 0.00 C ATOM 543 NE ARG A 34 -6.276 -0.334 -13.115 1.00 0.00 N ATOM 544 CZ ARG A 34 -6.358 1.020 -12.929 1.00 0.00 C ATOM 545 NH1 ARG A 34 -6.186 1.888 -13.967 1.00 0.00 N ATOM 546 NH2 ARG A 34 -6.603 1.512 -11.680 1.00 0.00 N ATOM 0 H ARG A 34 -2.719 -4.268 -16.524 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.030 -1.859 -15.061 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.944 -2.979 -16.200 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.853 -4.307 -15.060 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.692 -2.853 -14.429 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.448 -2.761 -13.198 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.655 -0.597 -14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.241 -0.649 -15.232 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.636 -0.950 -12.386 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.992 1.532 -14.903 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.251 2.893 -13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.723 0.873 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.666 2.519 -11.532 1.00 0.00 H new ATOM 560 N GLU A 35 -2.307 -4.538 -13.101 1.00 0.00 N ATOM 561 CA GLU A 35 -1.769 -4.800 -11.720 1.00 0.00 C ATOM 562 C GLU A 35 -0.690 -3.757 -11.278 1.00 0.00 C ATOM 563 O GLU A 35 -0.891 -3.095 -10.255 1.00 0.00 O ATOM 564 CB GLU A 35 -1.180 -6.233 -11.610 1.00 0.00 C ATOM 565 CG GLU A 35 -0.779 -6.713 -10.196 1.00 0.00 C ATOM 566 CD GLU A 35 0.611 -6.216 -9.792 1.00 0.00 C ATOM 567 OE1 GLU A 35 1.572 -6.461 -10.570 1.00 0.00 O ATOM 568 OE2 GLU A 35 0.729 -5.594 -8.705 1.00 0.00 O ATOM 0 H GLU A 35 -2.251 -5.342 -13.726 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.620 -4.702 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.912 -6.933 -12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.300 -6.289 -12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.514 -6.361 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.797 -7.802 -10.165 1.00 0.00 H new ATOM 575 N ALA A 36 0.370 -3.509 -12.082 1.00 0.00 N ATOM 576 CA ALA A 36 1.298 -2.369 -11.825 1.00 0.00 C ATOM 577 C ALA A 36 0.617 -0.952 -11.749 1.00 0.00 C ATOM 578 O ALA A 36 0.768 -0.246 -10.739 1.00 0.00 O ATOM 579 CB ALA A 36 2.394 -2.290 -12.907 1.00 0.00 C ATOM 0 H ALA A 36 0.606 -4.068 -12.901 1.00 0.00 H new ATOM 0 HA ALA A 36 1.708 -2.593 -10.840 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.056 -1.450 -12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.971 -3.215 -12.909 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.931 -2.149 -13.884 1.00 0.00 H new ATOM 585 N PHE A 37 -0.179 -0.557 -12.771 1.00 0.00 N ATOM 586 CA PHE A 37 -0.912 0.743 -12.742 1.00 0.00 C ATOM 587 C PHE A 37 -1.893 0.868 -11.535 1.00 0.00 C ATOM 588 O PHE A 37 -1.730 1.833 -10.801 1.00 0.00 O ATOM 589 CB PHE A 37 -1.707 0.928 -14.060 1.00 0.00 C ATOM 590 CG PHE A 37 -2.031 2.372 -14.346 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.115 3.009 -13.716 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.271 3.101 -15.276 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.427 4.343 -13.999 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.604 4.422 -15.590 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.663 5.051 -14.930 1.00 0.00 C ATOM 0 H PHE A 37 -0.332 -1.107 -13.616 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.158 1.522 -12.631 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.129 0.519 -14.889 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.633 0.356 -14.004 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.715 2.461 -13.004 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.421 2.636 -15.753 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.255 4.824 -13.500 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.043 4.956 -16.342 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.891 6.086 -15.140 1.00 0.00 H new ATOM 605 N ASP A 38 -2.816 -0.077 -11.282 1.00 0.00 N ATOM 606 CA ASP A 38 -3.645 -0.153 -10.043 1.00 0.00 C ATOM 607 C ASP A 38 -2.872 -0.165 -8.674 1.00 0.00 C ATOM 608 O ASP A 38 -3.340 0.458 -7.716 1.00 0.00 O ATOM 609 CB ASP A 38 -4.529 -1.431 -10.076 1.00 0.00 C ATOM 610 CG ASP A 38 -5.848 -1.242 -9.327 1.00 0.00 C ATOM 611 OD1 ASP A 38 -6.686 -0.447 -9.835 1.00 0.00 O ATOM 612 OD2 ASP A 38 -6.051 -1.912 -8.283 1.00 0.00 O ATOM 0 H ASP A 38 -3.019 -0.829 -11.940 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.215 0.776 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.737 -1.700 -11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.979 -2.262 -9.635 1.00 0.00 H new ATOM 617 N LEU A 39 -1.684 -0.812 -8.565 1.00 0.00 N ATOM 618 CA LEU A 39 -0.780 -0.679 -7.397 1.00 0.00 C ATOM 619 C LEU A 39 -0.404 0.808 -7.063 1.00 0.00 C ATOM 620 O LEU A 39 -0.479 1.205 -5.896 1.00 0.00 O ATOM 621 CB LEU A 39 0.529 -1.484 -7.603 1.00 0.00 C ATOM 622 CG LEU A 39 1.498 -1.546 -6.396 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.866 -2.216 -5.159 1.00 0.00 C ATOM 624 CD2 LEU A 39 2.811 -2.249 -6.798 1.00 0.00 C ATOM 0 H LEU A 39 -1.327 -1.440 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.344 -1.081 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.263 -2.504 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.065 -1.054 -8.449 1.00 0.00 H new ATOM 0 HG LEU A 39 1.721 -0.518 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.590 -2.232 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.015 -1.653 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.576 -3.237 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.482 -2.285 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.593 -3.264 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.287 -1.696 -7.608 1.00 0.00 H new ATOM 636 N PHE A 40 -0.023 1.622 -8.070 1.00 0.00 N ATOM 637 CA PHE A 40 0.160 3.102 -7.891 1.00 0.00 C ATOM 638 C PHE A 40 -1.189 3.924 -7.941 1.00 0.00 C ATOM 639 O PHE A 40 -1.412 4.782 -7.082 1.00 0.00 O ATOM 640 CB PHE A 40 1.193 3.691 -8.866 1.00 0.00 C ATOM 641 CG PHE A 40 2.496 2.979 -8.606 1.00 0.00 C ATOM 642 CD1 PHE A 40 3.277 3.313 -7.483 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.887 1.888 -9.399 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.408 2.559 -7.152 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.999 1.115 -9.056 1.00 0.00 C ATOM 646 CZ PHE A 40 4.761 1.450 -7.931 1.00 0.00 C ATOM 0 H PHE A 40 0.166 1.293 -9.017 1.00 0.00 H new ATOM 0 HA PHE A 40 0.551 3.208 -6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.874 3.549 -9.899 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.302 4.764 -8.711 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.000 4.159 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.321 1.643 -10.286 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.008 2.832 -6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.270 0.260 -9.658 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.621 0.854 -7.664 1.00 0.00 H new ATOM 656 N ASP A 41 -2.096 3.662 -8.901 1.00 0.00 N ATOM 657 CA ASP A 41 -3.462 4.258 -8.996 1.00 0.00 C ATOM 658 C ASP A 41 -4.487 3.555 -8.030 1.00 0.00 C ATOM 659 O ASP A 41 -5.377 2.809 -8.460 1.00 0.00 O ATOM 660 CB ASP A 41 -3.973 4.174 -10.466 1.00 0.00 C ATOM 661 CG ASP A 41 -5.316 4.852 -10.752 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.491 6.037 -10.366 1.00 0.00 O ATOM 663 OD2 ASP A 41 -6.176 4.198 -11.407 1.00 0.00 O ATOM 0 H ASP A 41 -1.902 3.010 -9.661 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.387 5.301 -8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.219 4.617 -11.117 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.054 3.123 -10.742 1.00 0.00 H new ATOM 668 N ALA A 42 -4.352 3.794 -6.712 1.00 0.00 N ATOM 669 CA ALA A 42 -5.105 3.026 -5.670 1.00 0.00 C ATOM 670 C ALA A 42 -6.361 3.749 -5.083 1.00 0.00 C ATOM 671 O ALA A 42 -7.436 3.147 -5.019 1.00 0.00 O ATOM 672 CB ALA A 42 -4.191 2.697 -4.475 1.00 0.00 C ATOM 0 H ALA A 42 -3.732 4.509 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.447 2.138 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.755 2.139 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.348 2.096 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.822 3.623 -4.034 1.00 0.00 H new ATOM 678 N ASP A 43 -6.228 5.005 -4.628 1.00 0.00 N ATOM 679 CA ASP A 43 -7.316 5.759 -3.932 1.00 0.00 C ATOM 680 C ASP A 43 -8.330 6.509 -4.867 1.00 0.00 C ATOM 681 O ASP A 43 -9.485 6.718 -4.493 1.00 0.00 O ATOM 682 CB ASP A 43 -6.740 6.851 -2.993 1.00 0.00 C ATOM 683 CG ASP A 43 -5.892 6.203 -1.901 1.00 0.00 C ATOM 684 OD1 ASP A 43 -6.475 5.492 -1.041 1.00 0.00 O ATOM 685 OD2 ASP A 43 -4.650 6.411 -1.917 1.00 0.00 O ATOM 0 H ASP A 43 -5.365 5.540 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.845 4.968 -3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.135 7.554 -3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.552 7.422 -2.544 1.00 0.00 H new ATOM 690 N GLY A 44 -7.877 6.945 -6.051 1.00 0.00 N ATOM 691 CA GLY A 44 -8.660 7.774 -6.992 1.00 0.00 C ATOM 692 C GLY A 44 -7.766 8.850 -7.636 1.00 0.00 C ATOM 693 O GLY A 44 -7.763 9.999 -7.190 1.00 0.00 O ATOM 0 H GLY A 44 -6.940 6.730 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.095 7.143 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.488 8.248 -6.465 1.00 0.00 H new ATOM 697 N THR A 45 -6.990 8.457 -8.658 1.00 0.00 N ATOM 698 CA THR A 45 -5.915 9.320 -9.244 1.00 0.00 C ATOM 699 C THR A 45 -6.171 9.575 -10.761 1.00 0.00 C ATOM 700 O THR A 45 -6.443 10.722 -11.129 1.00 0.00 O ATOM 701 CB THR A 45 -4.501 8.784 -9.012 1.00 0.00 C ATOM 702 OG1 THR A 45 -4.534 7.501 -8.399 1.00 0.00 O ATOM 703 CG2 THR A 45 -3.746 9.756 -8.082 1.00 0.00 C ATOM 0 H THR A 45 -7.076 7.545 -9.108 1.00 0.00 H new ATOM 0 HA THR A 45 -5.968 10.268 -8.710 1.00 0.00 H new ATOM 0 HB THR A 45 -4.000 8.698 -9.976 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.969 6.862 -9.001 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.736 9.384 -7.909 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.695 10.740 -8.548 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.272 9.832 -7.130 1.00 0.00 H new ATOM 711 N GLY A 46 -6.050 8.557 -11.643 1.00 0.00 N ATOM 712 CA GLY A 46 -6.050 8.806 -13.133 1.00 0.00 C ATOM 713 C GLY A 46 -4.629 8.719 -13.740 1.00 0.00 C ATOM 714 O GLY A 46 -4.422 7.981 -14.705 1.00 0.00 O ATOM 0 H GLY A 46 -5.953 7.577 -11.376 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.697 8.077 -13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.470 9.791 -13.335 1.00 0.00 H new ATOM 718 N THR A 47 -3.679 9.511 -13.199 1.00 0.00 N ATOM 719 CA THR A 47 -2.246 9.473 -13.618 1.00 0.00 C ATOM 720 C THR A 47 -1.345 8.806 -12.539 1.00 0.00 C ATOM 721 O THR A 47 -1.522 8.942 -11.322 1.00 0.00 O ATOM 722 CB THR A 47 -1.670 10.848 -13.943 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.878 11.774 -12.879 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.347 11.377 -15.224 1.00 0.00 C ATOM 0 H THR A 47 -3.873 10.192 -12.465 1.00 0.00 H new ATOM 0 HA THR A 47 -2.243 8.876 -14.530 1.00 0.00 H new ATOM 0 HB THR A 47 -0.594 10.746 -14.087 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.408 12.532 -13.204 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.945 12.360 -15.469 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.153 10.690 -16.048 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.422 11.455 -15.062 1.00 0.00 H new ATOM 732 N ILE A 48 -0.353 8.090 -13.070 1.00 0.00 N ATOM 733 CA ILE A 48 0.797 7.539 -12.313 1.00 0.00 C ATOM 734 C ILE A 48 1.989 8.324 -12.946 1.00 0.00 C ATOM 735 O ILE A 48 2.226 8.292 -14.164 1.00 0.00 O ATOM 736 CB ILE A 48 0.978 6.023 -12.509 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.261 5.492 -11.835 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.937 5.615 -13.998 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.580 4.025 -12.146 1.00 0.00 C ATOM 0 H ILE A 48 -0.316 7.865 -14.064 1.00 0.00 H new ATOM 0 HA ILE A 48 0.688 7.653 -11.235 1.00 0.00 H new ATOM 0 HB ILE A 48 0.127 5.556 -12.013 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.103 6.109 -12.149 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.165 5.609 -10.756 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.069 4.536 -14.083 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.025 5.898 -14.426 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.737 6.122 -14.536 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.497 3.735 -11.632 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.759 3.394 -11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.712 3.901 -13.221 1.00 0.00 H new ATOM 751 N ASP A 49 2.746 9.025 -12.101 1.00 0.00 N ATOM 752 CA ASP A 49 3.769 10.003 -12.577 1.00 0.00 C ATOM 753 C ASP A 49 5.191 9.365 -12.563 1.00 0.00 C ATOM 754 O ASP A 49 5.426 8.295 -11.993 1.00 0.00 O ATOM 755 CB ASP A 49 3.826 11.301 -11.724 1.00 0.00 C ATOM 756 CG ASP A 49 2.569 12.158 -11.890 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.618 11.753 -12.610 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.547 13.280 -11.315 1.00 0.00 O ATOM 0 H ASP A 49 2.683 8.946 -11.086 1.00 0.00 H new ATOM 0 HA ASP A 49 3.464 10.268 -13.589 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.948 11.038 -10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.701 11.884 -12.011 1.00 0.00 H new ATOM 763 N VAL A 50 6.149 10.009 -13.261 1.00 0.00 N ATOM 764 CA VAL A 50 7.490 9.424 -13.569 1.00 0.00 C ATOM 765 C VAL A 50 8.296 8.772 -12.378 1.00 0.00 C ATOM 766 O VAL A 50 8.970 7.761 -12.593 1.00 0.00 O ATOM 767 CB VAL A 50 8.343 10.431 -14.341 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.687 11.665 -13.476 1.00 0.00 C ATOM 769 CG2 VAL A 50 9.587 9.762 -14.968 1.00 0.00 C ATOM 0 H VAL A 50 6.024 10.951 -13.632 1.00 0.00 H new ATOM 0 HA VAL A 50 7.257 8.558 -14.188 1.00 0.00 H new ATOM 0 HB VAL A 50 7.748 10.802 -15.175 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.294 12.359 -14.057 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.767 12.160 -13.166 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.243 11.347 -12.594 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.168 10.509 -15.508 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.201 9.325 -14.180 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.271 8.980 -15.658 1.00 0.00 H new ATOM 779 N LYS A 51 8.175 9.276 -11.140 1.00 0.00 N ATOM 780 CA LYS A 51 8.697 8.598 -9.909 1.00 0.00 C ATOM 781 C LYS A 51 8.036 7.186 -9.634 1.00 0.00 C ATOM 782 O LYS A 51 8.725 6.158 -9.630 1.00 0.00 O ATOM 783 CB LYS A 51 8.458 9.469 -8.653 1.00 0.00 C ATOM 784 CG LYS A 51 9.054 10.883 -8.764 1.00 0.00 C ATOM 785 CD LYS A 51 8.735 11.760 -7.543 1.00 0.00 C ATOM 786 CE LYS A 51 9.253 13.199 -7.691 1.00 0.00 C ATOM 787 NZ LYS A 51 8.880 14.033 -6.524 1.00 0.00 N ATOM 0 H LYS A 51 7.714 10.165 -10.948 1.00 0.00 H new ATOM 0 HA LYS A 51 9.761 8.455 -10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.386 9.548 -8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.889 8.969 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.135 10.809 -8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.669 11.365 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.656 11.781 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.175 11.310 -6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.338 13.187 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.847 13.641 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.245 14.998 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.844 14.064 -6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.289 13.624 -5.660 1.00 0.00 H new ATOM 801 N GLU A 52 6.699 7.147 -9.451 1.00 0.00 N ATOM 802 CA GLU A 52 5.883 5.902 -9.361 1.00 0.00 C ATOM 803 C GLU A 52 5.979 4.978 -10.627 1.00 0.00 C ATOM 804 O GLU A 52 6.154 3.770 -10.460 1.00 0.00 O ATOM 805 CB GLU A 52 4.408 6.318 -9.246 1.00 0.00 C ATOM 806 CG GLU A 52 4.094 7.255 -8.068 1.00 0.00 C ATOM 807 CD GLU A 52 2.689 7.809 -8.275 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.490 8.525 -9.295 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.804 7.520 -7.430 1.00 0.00 O ATOM 0 H GLU A 52 6.138 7.994 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 52 6.263 5.343 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.110 6.809 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.798 5.420 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.156 6.715 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.821 8.066 -8.020 1.00 0.00 H new ATOM 816 N LEU A 53 5.923 5.511 -11.872 1.00 0.00 N ATOM 817 CA LEU A 53 6.227 4.735 -13.108 1.00 0.00 C ATOM 818 C LEU A 53 7.656 4.083 -13.169 1.00 0.00 C ATOM 819 O LEU A 53 7.792 2.983 -13.705 1.00 0.00 O ATOM 820 CB LEU A 53 6.059 5.655 -14.340 1.00 0.00 C ATOM 821 CG LEU A 53 6.075 4.956 -15.717 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.981 3.877 -15.837 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.970 5.993 -16.851 1.00 0.00 C ATOM 0 H LEU A 53 5.668 6.482 -12.051 1.00 0.00 H new ATOM 0 HA LEU A 53 5.520 3.905 -13.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.117 6.194 -14.240 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.855 6.399 -14.324 1.00 0.00 H new ATOM 0 HG LEU A 53 7.030 4.440 -15.811 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.033 3.414 -16.823 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.134 3.117 -15.071 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.001 4.336 -15.703 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.983 5.482 -17.814 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.039 6.551 -16.749 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.814 6.681 -16.794 1.00 0.00 H new ATOM 835 N LYS A 54 8.712 4.705 -12.610 1.00 0.00 N ATOM 836 CA LYS A 54 10.039 4.051 -12.421 1.00 0.00 C ATOM 837 C LYS A 54 9.997 2.822 -11.448 1.00 0.00 C ATOM 838 O LYS A 54 10.504 1.752 -11.790 1.00 0.00 O ATOM 839 CB LYS A 54 11.128 5.049 -11.961 1.00 0.00 C ATOM 840 CG LYS A 54 12.566 4.628 -12.320 1.00 0.00 C ATOM 841 CD LYS A 54 12.844 4.648 -13.837 1.00 0.00 C ATOM 842 CE LYS A 54 14.302 4.332 -14.194 1.00 0.00 C ATOM 843 NZ LYS A 54 14.516 4.376 -15.660 1.00 0.00 N ATOM 0 H LYS A 54 8.679 5.668 -12.276 1.00 0.00 H new ATOM 0 HA LYS A 54 10.305 3.676 -13.410 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.925 6.022 -12.408 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.057 5.173 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.268 5.295 -11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.750 3.624 -11.937 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.193 3.925 -14.328 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.585 5.630 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.962 5.049 -13.706 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.566 3.345 -13.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.511 4.158 -15.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.902 3.675 -16.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.286 5.326 -16.016 1.00 0.00 H new ATOM 857 N VAL A 55 9.366 2.976 -10.263 1.00 0.00 N ATOM 858 CA VAL A 55 9.050 1.819 -9.348 1.00 0.00 C ATOM 859 C VAL A 55 8.134 0.728 -10.030 1.00 0.00 C ATOM 860 O VAL A 55 8.361 -0.474 -9.840 1.00 0.00 O ATOM 861 CB VAL A 55 8.441 2.265 -8.023 1.00 0.00 C ATOM 862 CG1 VAL A 55 8.424 1.089 -7.021 1.00 0.00 C ATOM 863 CG2 VAL A 55 9.263 3.440 -7.452 1.00 0.00 C ATOM 0 H VAL A 55 9.060 3.881 -9.904 1.00 0.00 H new ATOM 0 HA VAL A 55 10.014 1.357 -9.136 1.00 0.00 H new ATOM 0 HB VAL A 55 7.414 2.591 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.987 1.420 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.830 0.272 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.443 0.745 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.830 3.761 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.292 3.119 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.249 4.271 -8.157 1.00 0.00 H new ATOM 873 N ALA A 56 7.159 1.145 -10.862 1.00 0.00 N ATOM 874 CA ALA A 56 6.380 0.214 -11.730 1.00 0.00 C ATOM 875 C ALA A 56 7.228 -0.622 -12.741 1.00 0.00 C ATOM 876 O ALA A 56 6.985 -1.817 -12.907 1.00 0.00 O ATOM 877 CB ALA A 56 5.290 0.940 -12.543 1.00 0.00 C ATOM 0 H ALA A 56 6.885 2.123 -10.957 1.00 0.00 H new ATOM 0 HA ALA A 56 5.942 -0.471 -11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.753 0.218 -13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.592 1.427 -11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.753 1.689 -13.185 1.00 0.00 H new ATOM 883 N MET A 57 8.245 0.000 -13.364 1.00 0.00 N ATOM 884 CA MET A 57 9.244 -0.701 -14.223 1.00 0.00 C ATOM 885 C MET A 57 10.246 -1.620 -13.446 1.00 0.00 C ATOM 886 O MET A 57 10.660 -2.634 -14.007 1.00 0.00 O ATOM 887 CB MET A 57 9.921 0.278 -15.187 1.00 0.00 C ATOM 888 CG MET A 57 8.864 0.822 -16.173 1.00 0.00 C ATOM 889 SD MET A 57 9.424 2.136 -17.278 1.00 0.00 S ATOM 890 CE MET A 57 7.796 2.400 -18.030 1.00 0.00 C ATOM 0 H MET A 57 8.406 1.005 -13.292 1.00 0.00 H new ATOM 0 HA MET A 57 8.681 -1.413 -14.827 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.377 1.098 -14.633 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.722 -0.222 -15.731 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.500 -0.007 -16.780 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.015 1.193 -15.598 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.753 3.399 -18.464 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.631 1.658 -18.811 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.023 2.302 -17.268 1.00 0.00 H new ATOM 900 N ARG A 58 10.618 -1.314 -12.183 1.00 0.00 N ATOM 901 CA ARG A 58 11.364 -2.273 -11.307 1.00 0.00 C ATOM 902 C ARG A 58 10.548 -3.603 -11.059 1.00 0.00 C ATOM 903 O ARG A 58 11.095 -4.686 -11.282 1.00 0.00 O ATOM 904 CB ARG A 58 11.672 -1.699 -9.903 1.00 0.00 C ATOM 905 CG ARG A 58 12.501 -0.406 -9.918 1.00 0.00 C ATOM 906 CD ARG A 58 12.664 0.186 -8.511 1.00 0.00 C ATOM 907 NE ARG A 58 13.241 1.568 -8.627 1.00 0.00 N ATOM 908 CZ ARG A 58 13.277 2.445 -7.576 1.00 0.00 C ATOM 909 NH1 ARG A 58 12.819 2.079 -6.343 1.00 0.00 N ATOM 910 NH2 ARG A 58 13.775 3.704 -7.767 1.00 0.00 N ATOM 0 H ARG A 58 10.419 -0.417 -11.740 1.00 0.00 H new ATOM 0 HA ARG A 58 12.289 -2.465 -11.851 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.731 -1.508 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.206 -2.453 -9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.484 -0.610 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.020 0.326 -10.566 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.700 0.222 -8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.318 -0.446 -7.910 1.00 0.00 H new ATOM 0 HE ARG A 58 13.622 1.865 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.444 1.142 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.852 2.743 -5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.116 3.983 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.806 4.364 -6.990 1.00 0.00 H new ATOM 924 N ALA A 59 9.252 -3.536 -10.653 1.00 0.00 N ATOM 925 CA ALA A 59 8.359 -4.731 -10.611 1.00 0.00 C ATOM 926 C ALA A 59 7.965 -5.384 -11.986 1.00 0.00 C ATOM 927 O ALA A 59 8.025 -6.609 -12.088 1.00 0.00 O ATOM 928 CB ALA A 59 7.030 -4.389 -9.908 1.00 0.00 C ATOM 0 H ALA A 59 8.802 -2.672 -10.351 1.00 0.00 H new ATOM 0 HA ALA A 59 8.973 -5.456 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.392 -5.272 -9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.232 -4.062 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.526 -3.590 -10.452 1.00 0.00 H new ATOM 934 N LEU A 60 7.533 -4.621 -13.008 1.00 0.00 N ATOM 935 CA LEU A 60 7.077 -5.172 -14.324 1.00 0.00 C ATOM 936 C LEU A 60 8.191 -5.566 -15.348 1.00 0.00 C ATOM 937 O LEU A 60 7.986 -6.501 -16.124 1.00 0.00 O ATOM 938 CB LEU A 60 6.147 -4.135 -15.015 1.00 0.00 C ATOM 939 CG LEU A 60 5.393 -4.603 -16.286 1.00 0.00 C ATOM 940 CD1 LEU A 60 4.443 -5.788 -16.021 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.631 -3.428 -16.927 1.00 0.00 C ATOM 0 H LEU A 60 7.486 -3.603 -12.957 1.00 0.00 H new ATOM 0 HA LEU A 60 6.578 -6.105 -14.061 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.408 -3.804 -14.285 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.747 -3.264 -15.279 1.00 0.00 H new ATOM 0 HG LEU A 60 6.150 -4.962 -16.984 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.945 -6.069 -16.949 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.015 -6.636 -15.645 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.696 -5.498 -15.282 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.108 -3.776 -17.818 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.909 -3.031 -16.214 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.336 -2.644 -17.203 1.00 0.00 H new ATOM 953 N GLY A 61 9.325 -4.845 -15.408 1.00 0.00 N ATOM 954 CA GLY A 61 10.467 -5.202 -16.296 1.00 0.00 C ATOM 955 C GLY A 61 11.133 -6.583 -16.070 1.00 0.00 C ATOM 956 O GLY A 61 11.252 -7.360 -17.016 1.00 0.00 O ATOM 0 H GLY A 61 9.484 -4.005 -14.852 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.119 -5.159 -17.328 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.234 -4.435 -16.186 1.00 0.00 H new ATOM 960 N PHE A 62 11.570 -6.855 -14.826 1.00 0.00 N ATOM 961 CA PHE A 62 12.189 -8.143 -14.363 1.00 0.00 C ATOM 962 C PHE A 62 13.585 -8.395 -15.014 1.00 0.00 C ATOM 963 O PHE A 62 14.627 -8.216 -14.379 1.00 0.00 O ATOM 964 CB PHE A 62 11.340 -9.426 -14.610 1.00 0.00 C ATOM 965 CG PHE A 62 10.028 -9.420 -13.876 1.00 0.00 C ATOM 966 CD1 PHE A 62 9.981 -9.682 -12.496 1.00 0.00 C ATOM 967 CD2 PHE A 62 8.821 -9.249 -14.577 1.00 0.00 C ATOM 968 CE1 PHE A 62 8.751 -9.787 -11.833 1.00 0.00 C ATOM 969 CE2 PHE A 62 7.591 -9.351 -13.917 1.00 0.00 C ATOM 970 CZ PHE A 62 7.555 -9.627 -12.544 1.00 0.00 C ATOM 0 H PHE A 62 11.506 -6.167 -14.076 1.00 0.00 H new ATOM 0 HA PHE A 62 12.265 -7.988 -13.287 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.150 -9.528 -15.679 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.916 -10.299 -14.304 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.900 -9.803 -11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.843 -9.037 -15.636 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.725 -9.991 -10.773 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.670 -9.217 -14.466 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.607 -9.716 -12.035 1.00 0.00 H new ATOM 980 N GLU A 63 13.573 -8.844 -16.255 1.00 0.00 N ATOM 981 CA GLU A 63 14.736 -9.358 -17.003 1.00 0.00 C ATOM 982 C GLU A 63 14.476 -9.071 -18.519 1.00 0.00 C ATOM 983 O GLU A 63 14.022 -10.053 -19.130 1.00 0.00 O ATOM 984 CB GLU A 63 14.991 -10.880 -16.825 1.00 0.00 C ATOM 985 CG GLU A 63 15.435 -11.279 -15.406 1.00 0.00 C ATOM 986 CD GLU A 63 15.759 -12.770 -15.366 1.00 0.00 C ATOM 987 OE1 GLU A 63 16.684 -13.193 -16.111 1.00 0.00 O ATOM 988 OE2 GLU A 63 15.092 -13.504 -14.590 1.00 0.00 O ATOM 0 H GLU A 63 12.716 -8.867 -16.808 1.00 0.00 H new ATOM 0 HA GLU A 63 15.622 -8.856 -16.614 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.079 -11.422 -17.075 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.755 -11.196 -17.536 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.310 -10.699 -15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.646 -11.050 -14.690 1.00 0.00 H new ATOM 995 N PRO A 64 14.687 -7.913 -19.271 1.00 0.00 N ATOM 996 CA PRO A 64 14.102 -7.862 -20.641 1.00 0.00 C ATOM 997 C PRO A 64 15.151 -7.993 -21.802 1.00 0.00 C ATOM 998 O PRO A 64 16.242 -8.540 -21.599 1.00 0.00 O ATOM 999 CB PRO A 64 13.532 -6.427 -20.639 1.00 0.00 C ATOM 1000 CG PRO A 64 14.504 -5.613 -19.774 1.00 0.00 C ATOM 1001 CD PRO A 64 14.858 -6.599 -18.662 1.00 0.00 C ATOM 0 HA PRO A 64 13.405 -8.680 -20.823 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.473 -6.025 -21.650 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.523 -6.404 -20.227 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.384 -5.301 -20.336 1.00 0.00 H new ATOM 0 HG3 PRO A 64 14.039 -4.708 -19.382 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.880 -6.453 -18.313 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.205 -6.474 -17.798 1.00 0.00 H new ATOM 1009 N LYS A 65 14.818 -7.582 -23.041 1.00 0.00 N ATOM 1010 CA LYS A 65 15.676 -7.881 -24.232 1.00 0.00 C ATOM 1011 C LYS A 65 17.023 -7.080 -24.301 1.00 0.00 C ATOM 1012 O LYS A 65 18.087 -7.698 -24.392 1.00 0.00 O ATOM 1013 CB LYS A 65 14.901 -7.678 -25.558 1.00 0.00 C ATOM 1014 CG LYS A 65 15.571 -8.268 -26.818 1.00 0.00 C ATOM 1015 CD LYS A 65 15.894 -9.775 -26.756 1.00 0.00 C ATOM 1016 CE LYS A 65 14.673 -10.676 -26.497 1.00 0.00 C ATOM 1017 NZ LYS A 65 15.060 -12.104 -26.422 1.00 0.00 N ATOM 0 H LYS A 65 13.975 -7.048 -23.255 1.00 0.00 H new ATOM 0 HA LYS A 65 15.943 -8.930 -24.101 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.912 -8.123 -25.452 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.755 -6.609 -25.713 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.918 -8.089 -27.672 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.497 -7.723 -27.005 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.358 -10.074 -27.696 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.629 -9.945 -25.969 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.191 -10.379 -25.566 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.941 -10.537 -27.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.215 -12.684 -26.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.498 -12.393 -27.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.740 -12.239 -25.646 1.00 0.00 H new ATOM 1031 N LYS A 66 16.982 -5.739 -24.289 1.00 0.00 N ATOM 1032 CA LYS A 66 18.194 -4.882 -24.135 1.00 0.00 C ATOM 1033 C LYS A 66 17.726 -3.555 -23.457 1.00 0.00 C ATOM 1034 O LYS A 66 17.836 -3.426 -22.235 1.00 0.00 O ATOM 1035 CB LYS A 66 18.878 -4.618 -25.500 1.00 0.00 C ATOM 1036 CG LYS A 66 20.177 -3.800 -25.429 1.00 0.00 C ATOM 1037 CD LYS A 66 20.877 -3.702 -26.794 1.00 0.00 C ATOM 1038 CE LYS A 66 22.026 -2.682 -26.838 1.00 0.00 C ATOM 1039 NZ LYS A 66 21.519 -1.292 -26.818 1.00 0.00 N ATOM 0 H LYS A 66 16.116 -5.208 -24.385 1.00 0.00 H new ATOM 0 HA LYS A 66 18.943 -5.380 -23.520 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.095 -5.576 -25.972 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.173 -4.097 -26.148 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.953 -2.797 -25.064 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.854 -4.258 -24.708 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.267 -4.684 -27.062 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.139 -3.435 -27.550 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.688 -2.841 -25.987 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.620 -2.841 -27.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.274 -0.643 -27.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.712 -1.208 -27.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.214 -1.047 -25.854 1.00 0.00 H new ATOM 1053 N GLU A 67 17.148 -2.613 -24.230 1.00 0.00 N ATOM 1054 CA GLU A 67 16.459 -1.416 -23.672 1.00 0.00 C ATOM 1055 C GLU A 67 14.990 -1.805 -23.265 1.00 0.00 C ATOM 1056 O GLU A 67 14.782 -2.588 -22.336 1.00 0.00 O ATOM 1057 CB GLU A 67 16.421 -0.186 -24.624 1.00 0.00 C ATOM 1058 CG GLU A 67 17.742 0.603 -24.739 1.00 0.00 C ATOM 1059 CD GLU A 67 18.836 -0.210 -25.413 1.00 0.00 C ATOM 1060 OE1 GLU A 67 18.597 -0.732 -26.534 1.00 0.00 O ATOM 1061 OE2 GLU A 67 19.946 -0.318 -24.825 1.00 0.00 O ATOM 0 H GLU A 67 17.141 -2.653 -25.249 1.00 0.00 H new ATOM 0 HA GLU A 67 17.047 -1.107 -22.808 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.133 -0.527 -25.619 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.640 0.493 -24.281 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.569 1.518 -25.306 1.00 0.00 H new ATOM 0 HG3 GLU A 67 18.073 0.902 -23.744 1.00 0.00 H new ATOM 1068 N GLU A 68 13.987 -1.290 -23.991 1.00 0.00 N ATOM 1069 CA GLU A 68 12.511 -1.467 -23.769 1.00 0.00 C ATOM 1070 C GLU A 68 12.000 -0.478 -22.703 1.00 0.00 C ATOM 1071 O GLU A 68 11.100 0.330 -22.948 1.00 0.00 O ATOM 1072 CB GLU A 68 12.002 -2.893 -23.445 1.00 0.00 C ATOM 1073 CG GLU A 68 12.367 -3.926 -24.522 1.00 0.00 C ATOM 1074 CD GLU A 68 11.735 -5.258 -24.141 1.00 0.00 C ATOM 1075 OE1 GLU A 68 10.480 -5.286 -24.013 1.00 0.00 O ATOM 1076 OE2 GLU A 68 12.484 -6.253 -23.967 1.00 0.00 O ATOM 0 H GLU A 68 14.176 -0.701 -24.802 1.00 0.00 H new ATOM 0 HA GLU A 68 12.091 -1.256 -24.752 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.418 -3.212 -22.489 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.919 -2.867 -23.328 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.007 -3.600 -25.498 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.449 -4.028 -24.599 1.00 0.00 H new ATOM 1083 N ILE A 69 12.568 -0.602 -21.503 1.00 0.00 N ATOM 1084 CA ILE A 69 12.125 0.166 -20.315 1.00 0.00 C ATOM 1085 C ILE A 69 12.591 1.673 -20.407 1.00 0.00 C ATOM 1086 O ILE A 69 11.808 2.593 -20.145 1.00 0.00 O ATOM 1087 CB ILE A 69 12.786 -0.490 -19.098 1.00 0.00 C ATOM 1088 CG1 ILE A 69 12.371 -1.982 -18.956 1.00 0.00 C ATOM 1089 CG2 ILE A 69 12.518 0.296 -17.803 1.00 0.00 C ATOM 1090 CD1 ILE A 69 10.868 -2.221 -18.752 1.00 0.00 C ATOM 0 H ILE A 69 13.347 -1.233 -21.316 1.00 0.00 H new ATOM 0 HA ILE A 69 11.037 0.158 -20.246 1.00 0.00 H new ATOM 0 HB ILE A 69 13.862 -0.465 -19.269 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.691 -2.519 -19.849 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.910 -2.415 -18.113 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.005 -0.205 -16.966 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.915 1.306 -17.902 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.444 0.344 -17.622 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.678 -3.291 -18.664 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.540 -1.718 -17.842 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.317 -1.824 -19.605 1.00 0.00 H new ATOM 1102 N LYS A 70 13.851 1.900 -20.850 1.00 0.00 N ATOM 1103 CA LYS A 70 14.400 3.226 -21.245 1.00 0.00 C ATOM 1104 C LYS A 70 13.587 3.943 -22.390 1.00 0.00 C ATOM 1105 O LYS A 70 13.419 5.165 -22.333 1.00 0.00 O ATOM 1106 CB LYS A 70 15.868 3.088 -21.721 1.00 0.00 C ATOM 1107 CG LYS A 70 16.590 4.422 -21.981 1.00 0.00 C ATOM 1108 CD LYS A 70 18.050 4.243 -22.427 1.00 0.00 C ATOM 1109 CE LYS A 70 18.740 5.584 -22.723 1.00 0.00 C ATOM 1110 NZ LYS A 70 20.140 5.388 -23.171 1.00 0.00 N ATOM 0 H LYS A 70 14.534 1.148 -20.946 1.00 0.00 H new ATOM 0 HA LYS A 70 14.326 3.840 -20.347 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.427 2.528 -20.971 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.884 2.498 -22.637 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.048 4.978 -22.747 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.565 5.024 -21.073 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.603 3.717 -21.649 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.081 3.617 -23.319 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.183 6.119 -23.492 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.727 6.206 -21.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.576 6.313 -23.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.677 4.899 -22.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.150 4.815 -24.039 1.00 0.00 H new ATOM 1124 N LYS A 71 13.076 3.190 -23.393 1.00 0.00 N ATOM 1125 CA LYS A 71 12.104 3.704 -24.401 1.00 0.00 C ATOM 1126 C LYS A 71 10.756 4.185 -23.771 1.00 0.00 C ATOM 1127 O LYS A 71 10.439 5.360 -23.939 1.00 0.00 O ATOM 1128 CB LYS A 71 11.773 2.659 -25.489 1.00 0.00 C ATOM 1129 CG LYS A 71 13.006 2.194 -26.277 1.00 0.00 C ATOM 1130 CD LYS A 71 12.635 1.312 -27.480 1.00 0.00 C ATOM 1131 CE LYS A 71 13.845 0.952 -28.354 1.00 0.00 C ATOM 1132 NZ LYS A 71 13.434 0.191 -29.557 1.00 0.00 N ATOM 0 H LYS A 71 13.322 2.210 -23.530 1.00 0.00 H new ATOM 0 HA LYS A 71 12.612 4.558 -24.849 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.301 1.795 -25.022 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.046 3.083 -26.182 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.560 3.065 -26.626 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.669 1.639 -25.614 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.167 0.395 -27.121 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.895 1.830 -28.089 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.361 1.863 -28.656 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.553 0.362 -27.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.273 -0.037 -30.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.963 -0.689 -29.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.777 0.765 -30.123 1.00 0.00 H new ATOM 1146 N MET A 72 9.997 3.359 -23.013 1.00 0.00 N ATOM 1147 CA MET A 72 8.716 3.805 -22.371 1.00 0.00 C ATOM 1148 C MET A 72 8.860 5.096 -21.470 1.00 0.00 C ATOM 1149 O MET A 72 8.064 6.027 -21.653 1.00 0.00 O ATOM 1150 CB MET A 72 7.992 2.697 -21.569 1.00 0.00 C ATOM 1151 CG MET A 72 7.122 1.728 -22.407 1.00 0.00 C ATOM 1152 SD MET A 72 7.992 0.481 -23.414 1.00 0.00 S ATOM 1153 CE MET A 72 7.953 1.322 -25.024 1.00 0.00 C ATOM 0 H MET A 72 10.238 2.386 -22.826 1.00 0.00 H new ATOM 0 HA MET A 72 8.096 4.061 -23.230 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.740 2.114 -21.032 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.358 3.171 -20.819 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.451 1.204 -21.727 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.499 2.325 -23.073 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.635 0.822 -25.712 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.941 1.289 -25.427 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.260 2.360 -24.900 1.00 0.00 H new ATOM 1163 N ILE A 73 9.887 5.208 -20.575 1.00 0.00 N ATOM 1164 CA ILE A 73 10.183 6.503 -19.863 1.00 0.00 C ATOM 1165 C ILE A 73 10.565 7.685 -20.838 1.00 0.00 C ATOM 1166 O ILE A 73 10.070 8.794 -20.639 1.00 0.00 O ATOM 1167 CB ILE A 73 11.325 6.363 -18.844 1.00 0.00 C ATOM 1168 CG1 ILE A 73 11.017 5.288 -17.774 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.667 7.714 -18.166 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.856 5.630 -16.829 1.00 0.00 C ATOM 0 H ILE A 73 10.513 4.441 -20.330 1.00 0.00 H new ATOM 0 HA ILE A 73 9.248 6.742 -19.357 1.00 0.00 H new ATOM 0 HB ILE A 73 12.199 6.038 -19.408 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.791 4.349 -18.278 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.914 5.122 -17.178 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.479 7.568 -17.454 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.974 8.434 -18.924 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.788 8.091 -17.642 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.716 4.818 -16.116 1.00 0.00 H new ATOM 0 HD12 ILE A 73 10.084 6.550 -16.291 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.943 5.765 -17.409 1.00 0.00 H new ATOM 1182 N SER A 74 11.408 7.461 -21.867 1.00 0.00 N ATOM 1183 CA SER A 74 11.777 8.499 -22.883 1.00 0.00 C ATOM 1184 C SER A 74 10.630 8.969 -23.842 1.00 0.00 C ATOM 1185 O SER A 74 10.557 10.154 -24.172 1.00 0.00 O ATOM 1186 CB SER A 74 12.936 8.052 -23.804 1.00 0.00 C ATOM 1187 OG SER A 74 14.077 7.686 -23.038 1.00 0.00 O ATOM 0 H SER A 74 11.858 6.560 -22.027 1.00 0.00 H new ATOM 0 HA SER A 74 12.056 9.331 -22.237 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.616 7.208 -24.415 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.195 8.860 -24.488 1.00 0.00 H new ATOM 0 HG SER A 74 13.923 6.815 -22.617 1.00 0.00 H new ATOM 1193 N GLU A 75 9.747 8.059 -24.300 1.00 0.00 N ATOM 1194 CA GLU A 75 8.516 8.406 -25.053 1.00 0.00 C ATOM 1195 C GLU A 75 7.491 9.261 -24.232 1.00 0.00 C ATOM 1196 O GLU A 75 7.021 10.266 -24.781 1.00 0.00 O ATOM 1197 CB GLU A 75 7.760 7.192 -25.658 1.00 0.00 C ATOM 1198 CG GLU A 75 8.355 6.677 -26.989 1.00 0.00 C ATOM 1199 CD GLU A 75 9.335 5.524 -26.791 1.00 0.00 C ATOM 1200 OE1 GLU A 75 8.866 4.424 -26.391 1.00 0.00 O ATOM 1201 OE2 GLU A 75 10.552 5.711 -27.059 1.00 0.00 O ATOM 0 H GLU A 75 9.865 7.056 -24.159 1.00 0.00 H new ATOM 0 HA GLU A 75 8.914 9.006 -25.872 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.762 6.378 -24.933 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.719 7.471 -25.822 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.545 6.352 -27.642 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.863 7.497 -27.496 1.00 0.00 H new ATOM 1208 N ILE A 76 7.129 8.930 -22.967 1.00 0.00 N ATOM 1209 CA ILE A 76 6.190 9.794 -22.164 1.00 0.00 C ATOM 1210 C ILE A 76 6.894 11.043 -21.510 1.00 0.00 C ATOM 1211 O ILE A 76 6.302 12.127 -21.550 1.00 0.00 O ATOM 1212 CB ILE A 76 5.679 8.868 -21.062 1.00 0.00 C ATOM 1213 CG1 ILE A 76 4.691 7.819 -21.637 1.00 0.00 C ATOM 1214 CG2 ILE A 76 5.095 9.634 -19.869 1.00 0.00 C ATOM 1215 CD1 ILE A 76 3.340 8.383 -22.095 1.00 0.00 C ATOM 0 H ILE A 76 7.456 8.096 -22.480 1.00 0.00 H new ATOM 0 HA ILE A 76 5.410 10.205 -22.805 1.00 0.00 H new ATOM 0 HB ILE A 76 6.539 8.327 -20.667 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.165 7.321 -22.483 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.511 7.057 -20.878 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.747 8.926 -19.117 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.863 10.275 -19.437 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.258 10.247 -20.204 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.720 7.574 -22.481 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.837 8.854 -21.250 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.501 9.122 -22.880 1.00 0.00 H new ATOM 1227 N ASP A 77 8.108 10.942 -20.924 1.00 0.00 N ATOM 1228 CA ASP A 77 8.911 12.131 -20.497 1.00 0.00 C ATOM 1229 C ASP A 77 9.933 12.443 -21.650 1.00 0.00 C ATOM 1230 O ASP A 77 11.070 11.959 -21.668 1.00 0.00 O ATOM 1231 CB ASP A 77 9.661 11.860 -19.164 1.00 0.00 C ATOM 1232 CG ASP A 77 10.129 13.144 -18.480 1.00 0.00 C ATOM 1233 OD1 ASP A 77 9.957 14.245 -19.066 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.640 13.035 -17.333 1.00 0.00 O ATOM 0 H ASP A 77 8.563 10.049 -20.731 1.00 0.00 H new ATOM 0 HA ASP A 77 8.252 12.981 -20.320 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.005 11.311 -18.488 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.523 11.222 -19.360 1.00 0.00 H new ATOM 1239 N LYS A 78 9.481 13.221 -22.650 1.00 0.00 N ATOM 1240 CA LYS A 78 10.230 13.435 -23.923 1.00 0.00 C ATOM 1241 C LYS A 78 10.993 14.795 -23.988 1.00 0.00 C ATOM 1242 O LYS A 78 12.214 14.810 -24.155 1.00 0.00 O ATOM 1243 CB LYS A 78 9.229 13.342 -25.098 1.00 0.00 C ATOM 1244 CG LYS A 78 9.823 13.525 -26.503 1.00 0.00 C ATOM 1245 CD LYS A 78 8.785 13.241 -27.599 1.00 0.00 C ATOM 1246 CE LYS A 78 9.122 13.869 -28.959 1.00 0.00 C ATOM 1247 NZ LYS A 78 8.961 15.340 -28.926 1.00 0.00 N ATOM 0 H LYS A 78 8.593 13.721 -22.609 1.00 0.00 H new ATOM 0 HA LYS A 78 10.995 12.661 -23.983 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.739 12.369 -25.056 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.455 14.096 -24.951 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.197 14.543 -26.611 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.676 12.858 -26.628 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.689 12.162 -27.723 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.814 13.612 -27.270 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.147 13.619 -29.234 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.474 13.447 -29.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.808 15.694 -29.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.143 15.586 -28.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.819 15.774 -28.530 1.00 0.00 H new ATOM 1261 N GLU A 79 10.266 15.918 -23.883 1.00 0.00 N ATOM 1262 CA GLU A 79 10.868 17.272 -23.741 1.00 0.00 C ATOM 1263 C GLU A 79 11.216 17.536 -22.238 1.00 0.00 C ATOM 1264 O GLU A 79 12.383 17.763 -21.908 1.00 0.00 O ATOM 1265 CB GLU A 79 9.923 18.399 -24.232 1.00 0.00 C ATOM 1266 CG GLU A 79 9.981 18.667 -25.751 1.00 0.00 C ATOM 1267 CD GLU A 79 9.606 17.441 -26.574 1.00 0.00 C ATOM 1268 OE1 GLU A 79 8.452 16.950 -26.446 1.00 0.00 O ATOM 1269 OE2 GLU A 79 10.466 16.969 -27.367 1.00 0.00 O ATOM 0 H GLU A 79 9.246 15.924 -23.893 1.00 0.00 H new ATOM 0 HA GLU A 79 11.764 17.288 -24.362 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.899 18.141 -23.960 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.171 19.320 -23.704 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.306 19.487 -25.998 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.987 18.989 -26.022 1.00 0.00 H new ATOM 1276 N GLY A 80 10.219 17.484 -21.333 1.00 0.00 N ATOM 1277 CA GLY A 80 10.484 17.485 -19.871 1.00 0.00 C ATOM 1278 C GLY A 80 9.260 17.528 -18.930 1.00 0.00 C ATOM 1279 O GLY A 80 9.301 18.267 -17.944 1.00 0.00 O ATOM 0 H GLY A 80 9.230 17.441 -21.580 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.062 16.592 -19.632 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.115 18.344 -19.643 1.00 0.00 H new ATOM 1283 N THR A 81 8.206 16.733 -19.189 1.00 0.00 N ATOM 1284 CA THR A 81 7.050 16.584 -18.247 1.00 0.00 C ATOM 1285 C THR A 81 6.501 15.120 -18.327 1.00 0.00 C ATOM 1286 O THR A 81 5.738 14.796 -19.244 1.00 0.00 O ATOM 1287 CB THR A 81 5.884 17.530 -18.553 1.00 0.00 C ATOM 1288 OG1 THR A 81 5.580 17.547 -19.947 1.00 0.00 O ATOM 1289 CG2 THR A 81 6.216 18.965 -18.096 1.00 0.00 C ATOM 0 H THR A 81 8.118 16.178 -20.040 1.00 0.00 H new ATOM 0 HA THR A 81 7.433 16.830 -17.257 1.00 0.00 H new ATOM 0 HB THR A 81 5.016 17.160 -18.006 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.448 16.629 -20.264 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.376 19.622 -18.322 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.403 18.971 -17.022 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.104 19.318 -18.621 1.00 0.00 H new ATOM 1297 N GLY A 82 6.846 14.239 -17.364 1.00 0.00 N ATOM 1298 CA GLY A 82 6.472 12.801 -17.446 1.00 0.00 C ATOM 1299 C GLY A 82 5.305 12.396 -16.542 1.00 0.00 C ATOM 1300 O GLY A 82 5.435 12.134 -15.344 1.00 0.00 O ATOM 0 H GLY A 82 7.376 14.488 -16.529 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.215 12.564 -18.478 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.342 12.197 -17.188 1.00 0.00 H new ATOM 1304 N LYS A 83 4.172 12.290 -17.205 1.00 0.00 N ATOM 1305 CA LYS A 83 2.930 11.707 -16.649 1.00 0.00 C ATOM 1306 C LYS A 83 2.442 10.559 -17.570 1.00 0.00 C ATOM 1307 O LYS A 83 2.591 10.593 -18.798 1.00 0.00 O ATOM 1308 CB LYS A 83 1.752 12.705 -16.546 1.00 0.00 C ATOM 1309 CG LYS A 83 1.918 13.732 -15.419 1.00 0.00 C ATOM 1310 CD LYS A 83 0.652 14.579 -15.203 1.00 0.00 C ATOM 1311 CE LYS A 83 0.503 15.142 -13.780 1.00 0.00 C ATOM 1312 NZ LYS A 83 0.162 14.086 -12.800 1.00 0.00 N ATOM 0 H LYS A 83 4.068 12.609 -18.168 1.00 0.00 H new ATOM 0 HA LYS A 83 3.194 11.375 -15.645 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.648 13.232 -17.495 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.828 12.149 -16.387 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.167 13.214 -14.493 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.756 14.389 -15.651 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.659 15.408 -15.910 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.222 13.970 -15.434 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.433 15.627 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.272 15.908 -13.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.460 14.385 -11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.865 13.925 -12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.652 13.205 -13.055 1.00 0.00 H new ATOM 1326 N MET A 84 1.816 9.554 -16.952 1.00 0.00 N ATOM 1327 CA MET A 84 1.158 8.457 -17.692 1.00 0.00 C ATOM 1328 C MET A 84 -0.281 8.248 -17.155 1.00 0.00 C ATOM 1329 O MET A 84 -0.464 7.954 -15.970 1.00 0.00 O ATOM 1330 CB MET A 84 1.965 7.145 -17.557 1.00 0.00 C ATOM 1331 CG MET A 84 1.404 5.953 -18.346 1.00 0.00 C ATOM 1332 SD MET A 84 2.396 4.446 -18.160 1.00 0.00 S ATOM 1333 CE MET A 84 3.611 4.785 -19.463 1.00 0.00 C ATOM 0 H MET A 84 1.747 9.471 -15.938 1.00 0.00 H new ATOM 0 HA MET A 84 1.114 8.729 -18.747 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.988 7.330 -17.886 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.013 6.873 -16.503 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.385 5.753 -18.015 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.350 6.217 -19.402 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.261 3.919 -19.588 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.093 4.988 -20.400 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.210 5.652 -19.185 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.285 8.313 -18.045 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.668 7.883 -17.715 1.00 0.00 C ATOM 1345 C ASN A 85 -2.857 6.422 -18.266 1.00 0.00 C ATOM 1346 O ASN A 85 -2.025 5.879 -19.009 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.817 8.854 -18.146 1.00 0.00 C ATOM 1348 CG ASN A 85 -4.454 8.606 -19.528 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.505 7.956 -19.608 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -3.823 9.122 -20.616 1.00 0.00 N ATOM 0 H ASN A 85 -1.173 8.657 -18.998 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.766 7.907 -16.630 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.605 8.803 -17.395 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.426 9.871 -18.130 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.214 8.980 -21.547 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.959 9.651 -20.501 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.943 5.733 -17.876 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.152 4.316 -18.324 1.00 0.00 C ATOM 1359 C PHE A 86 -4.501 4.156 -19.850 1.00 0.00 C ATOM 1360 O PHE A 86 -4.399 3.038 -20.362 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.220 3.580 -17.458 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.142 2.075 -17.611 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -3.953 1.382 -17.310 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.238 1.345 -18.107 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -3.852 0.003 -17.523 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -6.139 -0.036 -18.322 1.00 0.00 C ATOM 1367 CZ PHE A 86 -4.943 -0.707 -18.035 1.00 0.00 C ATOM 0 H PHE A 86 -4.676 6.105 -17.272 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.179 3.846 -18.177 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.081 3.845 -16.410 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.215 3.922 -17.743 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.108 1.923 -16.909 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.165 1.855 -18.324 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.932 -0.513 -17.292 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.985 -0.584 -18.709 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.864 -1.770 -18.209 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.968 5.206 -20.559 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.071 5.179 -22.037 1.00 0.00 C ATOM 1379 C GLY A 87 -3.661 5.234 -22.693 1.00 0.00 C ATOM 1380 O GLY A 87 -3.382 4.442 -23.590 1.00 0.00 O ATOM 0 H GLY A 87 -5.279 6.080 -20.135 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.588 4.273 -22.353 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.669 6.024 -22.379 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.750 6.088 -22.174 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.313 6.084 -22.533 1.00 0.00 C ATOM 1386 C ASP A 88 -0.589 4.714 -22.247 1.00 0.00 C ATOM 1387 O ASP A 88 0.125 4.222 -23.127 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.438 7.106 -21.751 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.963 8.535 -21.829 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.322 8.990 -22.944 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -1.027 9.185 -20.749 1.00 0.00 O ATOM 0 H ASP A 88 -2.993 6.804 -21.490 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.372 6.325 -23.594 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.385 6.803 -20.705 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.579 7.078 -22.143 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.793 4.076 -21.068 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.167 2.773 -20.723 1.00 0.00 C ATOM 1398 C PHE A 89 -0.695 1.557 -21.553 1.00 0.00 C ATOM 1399 O PHE A 89 0.107 0.782 -22.080 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.325 2.390 -19.225 1.00 0.00 C ATOM 1401 CG PHE A 89 0.720 1.410 -18.699 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.989 1.201 -19.290 1.00 0.00 C ATOM 1403 CD2 PHE A 89 0.444 0.749 -17.491 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.954 0.402 -18.664 1.00 0.00 C ATOM 1405 CE2 PHE A 89 1.420 -0.020 -16.845 1.00 0.00 C ATOM 1406 CZ PHE A 89 2.675 -0.196 -17.433 1.00 0.00 C ATOM 0 H PHE A 89 -1.393 4.447 -20.332 1.00 0.00 H new ATOM 0 HA PHE A 89 0.880 2.952 -20.968 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.283 3.300 -18.626 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.314 1.957 -19.078 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.217 1.665 -20.238 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.539 0.835 -17.052 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.914 0.248 -19.133 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.202 -0.477 -15.891 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.427 -0.792 -16.937 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.027 1.405 -21.690 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.647 0.360 -22.552 1.00 0.00 C ATOM 1418 C LEU A 90 -2.414 0.531 -24.100 1.00 0.00 C ATOM 1419 O LEU A 90 -2.190 -0.471 -24.790 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.173 0.320 -22.293 1.00 0.00 C ATOM 1421 CG LEU A 90 -4.889 -0.993 -22.686 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.443 -2.176 -21.804 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.419 -0.821 -22.628 1.00 0.00 C ATOM 0 H LEU A 90 -2.707 1.996 -21.212 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.148 -0.568 -22.271 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.347 0.503 -21.233 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.637 1.142 -22.839 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.603 -1.223 -23.712 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.970 -3.079 -22.113 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.369 -2.327 -21.913 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.675 -1.960 -20.761 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.901 -1.757 -22.908 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.716 -0.549 -21.615 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.723 -0.035 -23.319 1.00 0.00 H new ATOM 1435 N THR A 91 -2.407 1.766 -24.651 1.00 0.00 N ATOM 1436 CA THR A 91 -1.975 2.029 -26.063 1.00 0.00 C ATOM 1437 C THR A 91 -0.461 1.728 -26.287 1.00 0.00 C ATOM 1438 O THR A 91 -0.156 0.985 -27.220 1.00 0.00 O ATOM 1439 CB THR A 91 -2.311 3.402 -26.631 1.00 0.00 C ATOM 1440 OG1 THR A 91 -1.732 4.456 -25.868 1.00 0.00 O ATOM 1441 CG2 THR A 91 -3.847 3.555 -26.686 1.00 0.00 C ATOM 0 H THR A 91 -2.694 2.605 -24.147 1.00 0.00 H new ATOM 0 HA THR A 91 -2.587 1.324 -26.625 1.00 0.00 H new ATOM 0 HB THR A 91 -1.889 3.473 -27.634 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.235 4.571 -25.035 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.101 4.535 -27.091 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.267 2.778 -27.325 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.258 3.460 -25.681 1.00 0.00 H new ATOM 1449 N VAL A 92 0.477 2.253 -25.470 1.00 0.00 N ATOM 1450 CA VAL A 92 1.939 1.936 -25.612 1.00 0.00 C ATOM 1451 C VAL A 92 2.298 0.418 -25.413 1.00 0.00 C ATOM 1452 O VAL A 92 3.027 -0.129 -26.240 1.00 0.00 O ATOM 1453 CB VAL A 92 2.855 2.862 -24.804 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.883 2.525 -23.299 1.00 0.00 C ATOM 1455 CG2 VAL A 92 4.270 2.862 -25.424 1.00 0.00 C ATOM 0 H VAL A 92 0.264 2.895 -24.707 1.00 0.00 H new ATOM 0 HA VAL A 92 2.145 2.147 -26.661 1.00 0.00 H new ATOM 0 HB VAL A 92 2.443 3.869 -24.862 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.549 3.217 -22.784 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.878 2.615 -22.887 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.242 1.505 -23.161 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.920 3.521 -24.848 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.674 1.850 -25.408 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.216 3.215 -26.454 1.00 0.00 H new ATOM 1465 N MET A 93 1.763 -0.274 -24.384 1.00 0.00 N ATOM 1466 CA MET A 93 1.905 -1.759 -24.231 1.00 0.00 C ATOM 1467 C MET A 93 1.342 -2.612 -25.425 1.00 0.00 C ATOM 1468 O MET A 93 2.077 -3.446 -25.962 1.00 0.00 O ATOM 1469 CB MET A 93 1.214 -2.287 -22.953 1.00 0.00 C ATOM 1470 CG MET A 93 1.504 -3.772 -22.655 1.00 0.00 C ATOM 1471 SD MET A 93 3.260 -4.105 -22.294 1.00 0.00 S ATOM 1472 CE MET A 93 3.041 -5.830 -21.778 1.00 0.00 C ATOM 0 H MET A 93 1.224 0.165 -23.637 1.00 0.00 H new ATOM 0 HA MET A 93 2.987 -1.886 -24.189 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.536 -1.686 -22.103 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.137 -2.150 -23.051 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.899 -4.090 -21.806 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.195 -4.374 -23.510 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.987 -6.220 -21.403 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.289 -5.882 -20.991 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.715 -6.426 -22.630 1.00 0.00 H new ATOM 1482 N THR A 94 0.083 -2.389 -25.853 1.00 0.00 N ATOM 1483 CA THR A 94 -0.498 -3.012 -27.088 1.00 0.00 C ATOM 1484 C THR A 94 0.273 -2.663 -28.408 1.00 0.00 C ATOM 1485 O THR A 94 0.790 -3.584 -29.038 1.00 0.00 O ATOM 1486 CB THR A 94 -1.940 -2.552 -27.310 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.683 -2.700 -26.114 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.660 -3.359 -28.409 1.00 0.00 C ATOM 0 H THR A 94 -0.568 -1.776 -25.363 1.00 0.00 H new ATOM 0 HA THR A 94 -0.425 -4.083 -26.901 1.00 0.00 H new ATOM 0 HB THR A 94 -1.885 -1.509 -27.621 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.495 -1.946 -25.517 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.679 -2.989 -28.523 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.125 -3.247 -29.352 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.685 -4.412 -28.129 1.00 0.00 H new ATOM 1496 N GLN A 95 0.411 -1.375 -28.796 1.00 0.00 N ATOM 1497 CA GLN A 95 1.221 -0.952 -29.982 1.00 0.00 C ATOM 1498 C GLN A 95 2.717 -1.435 -30.026 1.00 0.00 C ATOM 1499 O GLN A 95 3.219 -1.748 -31.107 1.00 0.00 O ATOM 1500 CB GLN A 95 1.221 0.593 -30.102 1.00 0.00 C ATOM 1501 CG GLN A 95 1.774 1.143 -31.432 1.00 0.00 C ATOM 1502 CD GLN A 95 1.663 2.670 -31.441 1.00 0.00 C ATOM 1503 OE1 GLN A 95 1.207 3.287 -30.472 1.00 0.00 O ATOM 1504 NE2 GLN A 95 2.097 3.293 -32.579 1.00 0.00 N ATOM 0 H GLN A 95 -0.029 -0.597 -28.305 1.00 0.00 H new ATOM 0 HA GLN A 95 0.723 -1.447 -30.816 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.200 0.952 -29.974 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.809 1.006 -29.283 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.814 0.843 -31.557 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.218 0.723 -32.270 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.466 2.741 -33.353 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.052 4.309 -32.653 1.00 0.00 H new ATOM 1513 N LYS A 96 3.422 -1.500 -28.880 1.00 0.00 N ATOM 1514 CA LYS A 96 4.760 -2.151 -28.781 1.00 0.00 C ATOM 1515 C LYS A 96 4.724 -3.715 -28.933 1.00 0.00 C ATOM 1516 O LYS A 96 5.436 -4.242 -29.789 1.00 0.00 O ATOM 1517 CB LYS A 96 5.413 -1.797 -27.410 1.00 0.00 C ATOM 1518 CG LYS A 96 6.913 -2.100 -27.187 1.00 0.00 C ATOM 1519 CD LYS A 96 7.281 -3.591 -27.076 1.00 0.00 C ATOM 1520 CE LYS A 96 8.601 -3.901 -26.357 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.491 -3.701 -24.894 1.00 0.00 N ATOM 0 H LYS A 96 3.091 -1.108 -27.998 1.00 0.00 H new ATOM 0 HA LYS A 96 5.345 -1.765 -29.616 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.266 -0.730 -27.242 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.854 -2.322 -26.635 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.480 -1.665 -28.010 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.236 -1.596 -26.276 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.475 -4.107 -26.554 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.329 -4.010 -28.081 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.893 -4.931 -26.562 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.390 -3.261 -26.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.976 -4.477 -24.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.932 -2.796 -24.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.488 -3.690 -24.620 1.00 0.00 H new ATOM 1535 N MET A 97 3.979 -4.456 -28.086 1.00 0.00 N ATOM 1536 CA MET A 97 4.000 -5.955 -28.084 1.00 0.00 C ATOM 1537 C MET A 97 3.129 -6.651 -29.188 1.00 0.00 C ATOM 1538 O MET A 97 3.673 -7.476 -29.929 1.00 0.00 O ATOM 1539 CB MET A 97 3.653 -6.580 -26.717 1.00 0.00 C ATOM 1540 CG MET A 97 4.715 -6.254 -25.651 1.00 0.00 C ATOM 1541 SD MET A 97 4.806 -7.467 -24.302 1.00 0.00 S ATOM 1542 CE MET A 97 6.234 -6.706 -23.475 1.00 0.00 C ATOM 0 H MET A 97 3.352 -4.052 -27.391 1.00 0.00 H new ATOM 0 HA MET A 97 5.045 -6.154 -28.322 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.682 -6.213 -26.386 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.566 -7.661 -26.824 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.690 -6.188 -26.133 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.501 -5.272 -25.229 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.492 -7.285 -22.589 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.083 -6.689 -24.158 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.984 -5.686 -23.182 1.00 0.00 H new ATOM 1552 N SER A 98 1.804 -6.430 -29.226 1.00 0.00 N ATOM 1553 CA SER A 98 0.898 -7.020 -30.250 1.00 0.00 C ATOM 1554 C SER A 98 0.914 -6.254 -31.603 1.00 0.00 C ATOM 1555 O SER A 98 0.436 -5.089 -31.614 1.00 0.00 O ATOM 1556 CB SER A 98 -0.555 -7.149 -29.754 1.00 0.00 C ATOM 1557 OG SER A 98 -1.013 -5.895 -29.281 1.00 0.00 O ATOM 1558 OXT SER A 98 1.365 -6.842 -32.618 1.00 0.00 O ATOM 0 H SER A 98 1.321 -5.838 -28.550 1.00 0.00 H new ATOM 0 HA SER A 98 1.300 -8.018 -30.423 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.196 -7.499 -30.563 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.613 -7.892 -28.958 1.00 0.00 H new ATOM 0 HG SER A 98 -0.584 -5.176 -29.791 1.00 0.00 H new