USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 34 THR OG1 : rot 75:sc= -2.5! USER MOD Set 1.2: A 80 HIS : no HE2:sc= -21.1! C(o=-24!,f=-25!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.294 K(o=-0.29,f=-2!) USER MOD Single : A 39 MET CE :methyl -143:sc= -1.79! (180deg=-3.1!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.57 K(o=-0.57,f=0.96) USER MOD Single : A 51 THR OG1 : rot 180:sc=0.000375 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -3.8! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.68 K(o=-1.7,f=-5.8!) USER MOD Single : A 65 THR OG1 : rot 126:sc= 0.0616 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= -0.102 (180deg=-0.287) USER MOD Single : A 71 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -7.97! C(o=-8!,f=-26!) USER MOD Single : A 79 SER OG : rot 37:sc= 0.703 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -132:sc= -0.193 (180deg=-0.838) USER MOD Single : A 86 GLN : amide:sc= -2.86! C(o=-2.9!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -2.077 0.380 -5.895 1.00 0.00 N ATOM 354 CA LEU A 21 -1.657 1.115 -4.668 1.00 0.00 C ATOM 355 C LEU A 21 -0.620 2.185 -5.021 1.00 0.00 C ATOM 356 O LEU A 21 0.422 1.894 -5.571 1.00 0.00 O ATOM 357 CB LEU A 21 -1.040 0.053 -3.756 1.00 0.00 C ATOM 358 CG LEU A 21 -0.682 0.678 -2.405 1.00 0.00 C ATOM 359 CD1 LEU A 21 0.608 1.488 -2.543 1.00 0.00 C ATOM 360 CD2 LEU A 21 -1.815 1.602 -1.950 1.00 0.00 C ATOM 0 HA LEU A 21 -2.492 1.626 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.741 -0.769 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.148 -0.366 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.540 -0.113 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.863 1.933 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.417 0.832 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.465 2.277 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.558 2.046 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.959 2.392 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.736 1.027 -1.850 1.00 0.00 H new ATOM 372 N ILE A 22 -0.899 3.419 -4.706 1.00 0.00 N ATOM 373 CA ILE A 22 0.072 4.505 -5.020 1.00 0.00 C ATOM 374 C ILE A 22 0.751 4.986 -3.736 1.00 0.00 C ATOM 375 O ILE A 22 0.102 5.420 -2.804 1.00 0.00 O ATOM 376 CB ILE A 22 -0.769 5.624 -5.636 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.197 5.221 -7.048 1.00 0.00 C ATOM 378 CG2 ILE A 22 0.060 6.908 -5.703 1.00 0.00 C ATOM 379 CD1 ILE A 22 -2.408 4.289 -6.970 1.00 0.00 C ATOM 0 H ILE A 22 -1.757 3.723 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 22 0.862 4.174 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.653 5.794 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.445 6.108 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.374 4.723 -7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.539 7.706 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.367 7.196 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.944 6.739 -6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.712 4.003 -7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.144 3.396 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.232 4.803 -6.475 1.00 0.00 H new ATOM 391 N ALA A 23 2.052 4.910 -3.675 1.00 0.00 N ATOM 392 CA ALA A 23 2.766 5.360 -2.447 1.00 0.00 C ATOM 393 C ALA A 23 3.448 6.708 -2.695 1.00 0.00 C ATOM 394 O ALA A 23 4.257 6.850 -3.592 1.00 0.00 O ATOM 395 CB ALA A 23 3.807 4.275 -2.175 1.00 0.00 C ATOM 0 H ALA A 23 2.651 4.556 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 23 2.090 5.497 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.377 4.533 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.305 3.320 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.482 4.197 -3.027 1.00 0.00 H new ATOM 401 N LYS A 24 3.131 7.697 -1.908 1.00 0.00 N ATOM 402 CA LYS A 24 3.762 9.035 -2.096 1.00 0.00 C ATOM 403 C LYS A 24 4.583 9.409 -0.860 1.00 0.00 C ATOM 404 O LYS A 24 4.154 9.222 0.261 1.00 0.00 O ATOM 405 CB LYS A 24 2.594 10.004 -2.279 1.00 0.00 C ATOM 406 CG LYS A 24 2.844 10.882 -3.506 1.00 0.00 C ATOM 407 CD LYS A 24 2.084 12.201 -3.354 1.00 0.00 C ATOM 408 CE LYS A 24 3.080 13.361 -3.288 1.00 0.00 C ATOM 409 NZ LYS A 24 2.295 14.511 -2.757 1.00 0.00 N ATOM 0 H LYS A 24 2.461 7.638 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 24 4.442 9.055 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.663 9.449 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.482 10.626 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.911 11.076 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.519 10.365 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.404 12.340 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.475 12.180 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.921 13.123 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.492 13.585 -4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.910 15.346 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.505 14.719 -3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.921 14.271 -1.816 1.00 0.00 H new ATOM 423 N VAL A 25 5.761 9.935 -1.054 1.00 0.00 N ATOM 424 CA VAL A 25 6.606 10.317 0.112 1.00 0.00 C ATOM 425 C VAL A 25 6.391 11.793 0.459 1.00 0.00 C ATOM 426 O VAL A 25 6.365 12.647 -0.405 1.00 0.00 O ATOM 427 CB VAL A 25 8.045 10.076 -0.344 1.00 0.00 C ATOM 428 CG1 VAL A 25 8.153 8.694 -0.987 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.439 11.145 -1.367 1.00 0.00 C ATOM 0 H VAL A 25 6.174 10.117 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 25 6.362 9.742 1.005 1.00 0.00 H new ATOM 0 HB VAL A 25 8.712 10.129 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.179 8.523 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.870 7.932 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.486 8.640 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.465 10.975 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.771 11.090 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.362 12.132 -0.910 1.00 0.00 H new ATOM 439 N GLU A 26 6.238 12.099 1.718 1.00 0.00 N ATOM 440 CA GLU A 26 6.026 13.520 2.119 1.00 0.00 C ATOM 441 C GLU A 26 7.231 14.032 2.911 1.00 0.00 C ATOM 442 O GLU A 26 7.974 13.267 3.494 1.00 0.00 O ATOM 443 CB GLU A 26 4.775 13.500 2.998 1.00 0.00 C ATOM 444 CG GLU A 26 4.255 14.928 3.181 1.00 0.00 C ATOM 445 CD GLU A 26 2.992 15.123 2.340 1.00 0.00 C ATOM 446 OE1 GLU A 26 1.993 14.496 2.655 1.00 0.00 O ATOM 447 OE2 GLU A 26 3.045 15.894 1.396 1.00 0.00 O ATOM 0 H GLU A 26 6.250 11.428 2.486 1.00 0.00 H new ATOM 0 HA GLU A 26 5.910 14.179 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.006 12.878 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.006 13.059 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.037 15.115 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.019 15.646 2.881 1.00 0.00 H new ATOM 511 N ILE A 32 10.709 11.676 5.801 1.00 0.00 N ATOM 512 CA ILE A 32 10.573 10.480 4.921 1.00 0.00 C ATOM 513 C ILE A 32 9.373 9.638 5.360 1.00 0.00 C ATOM 514 O ILE A 32 9.500 8.721 6.147 1.00 0.00 O ATOM 515 CB ILE A 32 11.881 9.704 5.101 1.00 0.00 C ATOM 516 CG1 ILE A 32 12.919 10.229 4.109 1.00 0.00 C ATOM 517 CG2 ILE A 32 11.641 8.215 4.841 1.00 0.00 C ATOM 518 CD1 ILE A 32 12.367 10.108 2.688 1.00 0.00 C ATOM 0 HA ILE A 32 10.404 10.747 3.878 1.00 0.00 H new ATOM 0 HB ILE A 32 12.242 9.838 6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.158 11.269 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.846 9.663 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.575 7.668 4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.899 7.838 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.278 8.077 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.105 10.482 1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.150 9.062 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.452 10.694 2.602 1.00 0.00 H new ATOM 530 N LYS A 33 8.209 9.943 4.860 1.00 0.00 N ATOM 531 CA LYS A 33 7.002 9.161 5.249 1.00 0.00 C ATOM 532 C LYS A 33 6.238 8.709 4.002 1.00 0.00 C ATOM 533 O LYS A 33 6.147 9.426 3.025 1.00 0.00 O ATOM 534 CB LYS A 33 6.156 10.126 6.079 1.00 0.00 C ATOM 535 CG LYS A 33 5.112 9.338 6.873 1.00 0.00 C ATOM 536 CD LYS A 33 5.408 9.461 8.369 1.00 0.00 C ATOM 537 CE LYS A 33 4.451 10.477 8.998 1.00 0.00 C ATOM 538 NZ LYS A 33 5.245 11.732 9.109 1.00 0.00 N ATOM 0 H LYS A 33 8.040 10.701 4.198 1.00 0.00 H new ATOM 0 HA LYS A 33 7.256 8.260 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.793 10.693 6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.664 10.848 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.113 9.717 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.127 8.290 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.295 8.491 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.440 9.775 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.566 10.623 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.104 10.141 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.657 12.478 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.077 11.564 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.556 12.031 8.163 1.00 0.00 H new ATOM 552 N THR A 34 5.686 7.526 4.027 1.00 0.00 N ATOM 553 CA THR A 34 4.928 7.033 2.840 1.00 0.00 C ATOM 554 C THR A 34 3.426 7.248 3.046 1.00 0.00 C ATOM 555 O THR A 34 2.869 6.872 4.057 1.00 0.00 O ATOM 556 CB THR A 34 5.249 5.540 2.753 1.00 0.00 C ATOM 557 OG1 THR A 34 6.605 5.371 2.364 1.00 0.00 O ATOM 558 CG2 THR A 34 4.334 4.878 1.721 1.00 0.00 C ATOM 0 H THR A 34 5.727 6.881 4.816 1.00 0.00 H new ATOM 0 HA THR A 34 5.203 7.561 1.927 1.00 0.00 H new ATOM 0 HB THR A 34 5.089 5.077 3.727 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.191 5.574 3.123 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.564 3.814 1.660 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.294 5.008 2.020 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.491 5.340 0.746 1.00 0.00 H new ATOM 566 N VAL A 35 2.769 7.854 2.096 1.00 0.00 N ATOM 567 CA VAL A 35 1.303 8.095 2.244 1.00 0.00 C ATOM 568 C VAL A 35 0.511 7.065 1.433 1.00 0.00 C ATOM 569 O VAL A 35 0.744 6.873 0.256 1.00 0.00 O ATOM 570 CB VAL A 35 1.074 9.504 1.693 1.00 0.00 C ATOM 571 CG1 VAL A 35 2.145 10.451 2.239 1.00 0.00 C ATOM 572 CG2 VAL A 35 1.155 9.474 0.165 1.00 0.00 C ATOM 0 H VAL A 35 3.180 8.192 1.226 1.00 0.00 H new ATOM 0 HA VAL A 35 0.973 8.004 3.279 1.00 0.00 H new ATOM 0 HB VAL A 35 0.089 9.855 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.979 11.454 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.089 10.475 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.131 10.100 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.992 10.478 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.140 9.120 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.391 8.802 -0.227 1.00 0.00 H new ATOM 582 N ILE A 36 -0.424 6.401 2.056 1.00 0.00 N ATOM 583 CA ILE A 36 -1.235 5.384 1.327 1.00 0.00 C ATOM 584 C ILE A 36 -2.525 6.025 0.799 1.00 0.00 C ATOM 585 O ILE A 36 -3.316 6.557 1.553 1.00 0.00 O ATOM 586 CB ILE A 36 -1.536 4.306 2.374 1.00 0.00 C ATOM 587 CG1 ILE A 36 -0.966 2.968 1.898 1.00 0.00 C ATOM 588 CG2 ILE A 36 -3.047 4.173 2.580 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.528 2.906 2.219 1.00 0.00 C ATOM 0 H ILE A 36 -0.662 6.519 3.041 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.719 4.969 0.461 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.076 4.590 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.488 2.144 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.123 2.855 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.246 3.404 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.453 5.125 2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.520 3.895 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.934 1.953 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.043 3.721 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.673 3.000 3.295 1.00 0.00 H new ATOM 601 N VAL A 37 -2.736 5.990 -0.488 1.00 0.00 N ATOM 602 CA VAL A 37 -3.968 6.611 -1.056 1.00 0.00 C ATOM 603 C VAL A 37 -5.031 5.551 -1.370 1.00 0.00 C ATOM 604 O VAL A 37 -6.191 5.711 -1.044 1.00 0.00 O ATOM 605 CB VAL A 37 -3.505 7.297 -2.340 1.00 0.00 C ATOM 606 CG1 VAL A 37 -4.693 7.994 -3.006 1.00 0.00 C ATOM 607 CG2 VAL A 37 -2.430 8.333 -2.004 1.00 0.00 C ATOM 0 H VAL A 37 -2.111 5.560 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.428 7.306 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.094 6.552 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.361 8.483 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.460 7.257 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.106 8.739 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.099 8.823 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.842 9.077 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.582 7.837 -1.531 1.00 0.00 H new ATOM 617 N ASN A 38 -4.655 4.478 -2.014 1.00 0.00 N ATOM 618 CA ASN A 38 -5.664 3.430 -2.358 1.00 0.00 C ATOM 619 C ASN A 38 -5.344 2.103 -1.660 1.00 0.00 C ATOM 620 O ASN A 38 -5.827 1.060 -2.052 1.00 0.00 O ATOM 621 CB ASN A 38 -5.563 3.271 -3.875 1.00 0.00 C ATOM 622 CG ASN A 38 -6.906 3.623 -4.516 1.00 0.00 C ATOM 623 OD1 ASN A 38 -7.697 4.343 -3.941 1.00 0.00 O ATOM 624 ND2 ASN A 38 -7.200 3.141 -5.692 1.00 0.00 N ATOM 0 H ASN A 38 -3.701 4.281 -2.315 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.666 3.713 -2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.780 3.919 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.285 2.247 -4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.094 3.369 -6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.536 2.536 -6.176 1.00 0.00 H new ATOM 631 N MET A 39 -4.541 2.127 -0.633 1.00 0.00 N ATOM 632 CA MET A 39 -4.211 0.855 0.072 1.00 0.00 C ATOM 633 C MET A 39 -5.470 0.261 0.710 1.00 0.00 C ATOM 634 O MET A 39 -5.731 -0.921 0.609 1.00 0.00 O ATOM 635 CB MET A 39 -3.199 1.245 1.148 1.00 0.00 C ATOM 636 CG MET A 39 -3.079 0.113 2.171 1.00 0.00 C ATOM 637 SD MET A 39 -1.345 -0.385 2.321 1.00 0.00 S ATOM 638 CE MET A 39 -1.035 0.359 3.942 1.00 0.00 C ATOM 0 H MET A 39 -4.101 2.965 -0.253 1.00 0.00 H new ATOM 0 HA MET A 39 -3.812 0.101 -0.607 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.228 1.444 0.694 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.514 2.164 1.642 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.459 0.441 3.138 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.687 -0.737 1.861 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.023 0.764 3.969 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.752 1.161 4.117 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.143 -0.400 4.717 1.00 0.00 H new ATOM 648 N VAL A 40 -6.254 1.075 1.366 1.00 0.00 N ATOM 649 CA VAL A 40 -7.496 0.555 2.009 1.00 0.00 C ATOM 650 C VAL A 40 -8.526 0.173 0.942 1.00 0.00 C ATOM 651 O VAL A 40 -9.220 -0.817 1.064 1.00 0.00 O ATOM 652 CB VAL A 40 -8.014 1.712 2.864 1.00 0.00 C ATOM 653 CG1 VAL A 40 -6.935 2.133 3.863 1.00 0.00 C ATOM 654 CG2 VAL A 40 -8.362 2.898 1.962 1.00 0.00 C ATOM 0 H VAL A 40 -6.089 2.075 1.484 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.309 -0.339 2.603 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.905 1.392 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.305 2.958 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.686 1.289 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.044 2.452 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.731 3.723 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.471 3.217 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.132 2.600 1.250 1.00 0.00 H new ATOM 664 N ASP A 41 -8.631 0.949 -0.101 1.00 0.00 N ATOM 665 CA ASP A 41 -9.617 0.629 -1.172 1.00 0.00 C ATOM 666 C ASP A 41 -9.283 -0.722 -1.813 1.00 0.00 C ATOM 667 O ASP A 41 -10.135 -1.573 -1.969 1.00 0.00 O ATOM 668 CB ASP A 41 -9.474 1.758 -2.194 1.00 0.00 C ATOM 669 CG ASP A 41 -10.412 1.501 -3.375 1.00 0.00 C ATOM 670 OD1 ASP A 41 -11.146 0.527 -3.322 1.00 0.00 O ATOM 671 OD2 ASP A 41 -10.380 2.282 -4.311 1.00 0.00 O ATOM 0 H ASP A 41 -8.077 1.791 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.634 0.555 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.711 2.715 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.443 1.819 -2.542 1.00 0.00 H new ATOM 676 N VAL A 42 -8.049 -0.923 -2.185 1.00 0.00 N ATOM 677 CA VAL A 42 -7.662 -2.218 -2.815 1.00 0.00 C ATOM 678 C VAL A 42 -7.781 -3.357 -1.799 1.00 0.00 C ATOM 679 O VAL A 42 -8.362 -4.388 -2.073 1.00 0.00 O ATOM 680 CB VAL A 42 -6.206 -2.031 -3.240 1.00 0.00 C ATOM 681 CG1 VAL A 42 -5.675 -3.338 -3.833 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.123 -0.924 -4.295 1.00 0.00 C ATOM 0 H VAL A 42 -7.292 -0.247 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.304 -2.475 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.607 -1.755 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.637 -3.205 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.736 -4.128 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.274 -3.613 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.085 -0.789 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.722 -1.202 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.502 0.008 -3.875 1.00 0.00 H new ATOM 692 N ALA A 43 -7.237 -3.178 -0.627 1.00 0.00 N ATOM 693 CA ALA A 43 -7.321 -4.252 0.406 1.00 0.00 C ATOM 694 C ALA A 43 -8.779 -4.492 0.800 1.00 0.00 C ATOM 695 O ALA A 43 -9.184 -5.603 1.080 1.00 0.00 O ATOM 696 CB ALA A 43 -6.523 -3.719 1.597 1.00 0.00 C ATOM 0 H ALA A 43 -6.738 -2.336 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.929 -5.203 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.537 -4.454 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.493 -3.535 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.970 -2.788 1.947 1.00 0.00 H new ATOM 702 N LYS A 44 -9.569 -3.457 0.824 1.00 0.00 N ATOM 703 CA LYS A 44 -11.003 -3.620 1.200 1.00 0.00 C ATOM 704 C LYS A 44 -11.716 -4.523 0.189 1.00 0.00 C ATOM 705 O LYS A 44 -12.577 -5.305 0.541 1.00 0.00 O ATOM 706 CB LYS A 44 -11.586 -2.206 1.159 1.00 0.00 C ATOM 707 CG LYS A 44 -13.052 -2.245 1.591 1.00 0.00 C ATOM 708 CD LYS A 44 -13.318 -1.123 2.596 1.00 0.00 C ATOM 709 CE LYS A 44 -13.545 -1.723 3.985 1.00 0.00 C ATOM 710 NZ LYS A 44 -15.022 -1.722 4.168 1.00 0.00 N ATOM 0 H LYS A 44 -9.285 -2.503 0.600 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.123 -4.083 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.019 -1.548 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.503 -1.796 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.701 -2.131 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.285 -3.211 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.474 -0.434 2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.191 -0.546 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.140 -2.733 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.051 -1.131 4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.257 -2.120 5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.379 -0.747 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.464 -2.299 3.424 1.00 0.00 H new ATOM 724 N ALA A 45 -11.365 -4.421 -1.063 1.00 0.00 N ATOM 725 CA ALA A 45 -12.024 -5.274 -2.094 1.00 0.00 C ATOM 726 C ALA A 45 -11.557 -6.727 -1.957 1.00 0.00 C ATOM 727 O ALA A 45 -12.278 -7.652 -2.274 1.00 0.00 O ATOM 728 CB ALA A 45 -11.577 -4.692 -3.435 1.00 0.00 C ATOM 0 H ALA A 45 -10.651 -3.785 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.109 -5.279 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.021 -5.267 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.900 -3.653 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.491 -4.740 -3.508 1.00 0.00 H new ATOM 734 N LEU A 46 -10.357 -6.933 -1.489 1.00 0.00 N ATOM 735 CA LEU A 46 -9.846 -8.326 -1.335 1.00 0.00 C ATOM 736 C LEU A 46 -9.833 -8.724 0.144 1.00 0.00 C ATOM 737 O LEU A 46 -9.471 -9.829 0.495 1.00 0.00 O ATOM 738 CB LEU A 46 -8.424 -8.291 -1.896 1.00 0.00 C ATOM 739 CG LEU A 46 -7.530 -7.467 -0.968 1.00 0.00 C ATOM 740 CD1 LEU A 46 -6.817 -8.397 0.014 1.00 0.00 C ATOM 741 CD2 LEU A 46 -6.492 -6.713 -1.801 1.00 0.00 C ATOM 0 H LEU A 46 -9.708 -6.198 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.469 -9.055 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.033 -9.304 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.427 -7.857 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.141 -6.754 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.180 -7.809 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.556 -8.936 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.206 -9.110 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.854 -6.125 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.882 -7.427 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.000 -6.049 -2.501 1.00 0.00 H new ATOM 753 N ASN A 47 -10.223 -7.832 1.012 1.00 0.00 N ATOM 754 CA ASN A 47 -10.231 -8.162 2.467 1.00 0.00 C ATOM 755 C ASN A 47 -10.567 -6.916 3.291 1.00 0.00 C ATOM 756 O ASN A 47 -11.259 -6.027 2.837 1.00 0.00 O ATOM 757 CB ASN A 47 -8.811 -8.639 2.772 1.00 0.00 C ATOM 758 CG ASN A 47 -8.865 -10.029 3.410 1.00 0.00 C ATOM 759 OD1 ASN A 47 -9.006 -11.021 2.722 1.00 0.00 O ATOM 760 ND2 ASN A 47 -8.759 -10.144 4.705 1.00 0.00 N ATOM 0 H ASN A 47 -10.536 -6.890 0.778 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.977 -8.917 2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.222 -8.671 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.317 -7.938 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.794 -11.066 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.641 -9.312 5.283 1.00 0.00 H new ATOM 767 N ARG A 48 -10.082 -6.845 4.501 1.00 0.00 N ATOM 768 CA ARG A 48 -10.373 -5.657 5.353 1.00 0.00 C ATOM 769 C ARG A 48 -9.312 -4.576 5.134 1.00 0.00 C ATOM 770 O ARG A 48 -8.350 -4.784 4.422 1.00 0.00 O ATOM 771 CB ARG A 48 -10.319 -6.178 6.790 1.00 0.00 C ATOM 772 CG ARG A 48 -11.740 -6.302 7.343 1.00 0.00 C ATOM 773 CD ARG A 48 -11.690 -6.381 8.870 1.00 0.00 C ATOM 774 NE ARG A 48 -13.115 -6.406 9.300 1.00 0.00 N ATOM 775 CZ ARG A 48 -13.619 -7.488 9.829 1.00 0.00 C ATOM 776 NH1 ARG A 48 -13.142 -8.658 9.500 1.00 0.00 N ATOM 777 NH2 ARG A 48 -14.598 -7.400 10.686 1.00 0.00 N ATOM 0 H ARG A 48 -9.497 -7.558 4.936 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.337 -5.207 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.821 -7.147 6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.734 -5.501 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.338 -5.445 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.223 -7.192 6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.162 -7.275 9.202 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.165 -5.525 9.293 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.698 -5.577 9.181 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.376 -8.726 8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.535 -9.504 9.913 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.970 -6.486 10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.992 -8.245 11.099 1.00 0.00 H new ATOM 791 N PRO A 49 -9.528 -3.449 5.756 1.00 0.00 N ATOM 792 CA PRO A 49 -8.582 -2.314 5.632 1.00 0.00 C ATOM 793 C PRO A 49 -7.296 -2.602 6.415 1.00 0.00 C ATOM 794 O PRO A 49 -7.342 -3.006 7.559 1.00 0.00 O ATOM 795 CB PRO A 49 -9.343 -1.144 6.248 1.00 0.00 C ATOM 796 CG PRO A 49 -10.326 -1.771 7.185 1.00 0.00 C ATOM 797 CD PRO A 49 -10.664 -3.130 6.628 1.00 0.00 C ATOM 0 HA PRO A 49 -8.275 -2.122 4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.669 -0.469 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.848 -0.555 5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.902 -1.859 8.185 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.222 -1.156 7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.778 -3.869 7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.601 -3.112 6.072 1.00 0.00 H new ATOM 805 N PRO A 50 -6.187 -2.380 5.762 1.00 0.00 N ATOM 806 CA PRO A 50 -4.867 -2.616 6.398 1.00 0.00 C ATOM 807 C PRO A 50 -4.562 -1.522 7.425 1.00 0.00 C ATOM 808 O PRO A 50 -3.518 -1.512 8.046 1.00 0.00 O ATOM 809 CB PRO A 50 -3.890 -2.549 5.229 1.00 0.00 C ATOM 810 CG PRO A 50 -4.574 -1.710 4.197 1.00 0.00 C ATOM 811 CD PRO A 50 -6.058 -1.895 4.384 1.00 0.00 C ATOM 0 HA PRO A 50 -4.816 -3.561 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.942 -2.105 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.667 -3.544 4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.300 -0.661 4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.272 -2.012 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.598 -0.959 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.464 -2.611 3.670 1.00 0.00 H new ATOM 819 N THR A 51 -5.466 -0.598 7.609 1.00 0.00 N ATOM 820 CA THR A 51 -5.228 0.496 8.593 1.00 0.00 C ATOM 821 C THR A 51 -4.938 -0.090 9.978 1.00 0.00 C ATOM 822 O THR A 51 -4.351 0.555 10.825 1.00 0.00 O ATOM 823 CB THR A 51 -6.531 1.299 8.610 1.00 0.00 C ATOM 824 OG1 THR A 51 -6.813 1.770 7.299 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.391 2.491 9.560 1.00 0.00 C ATOM 0 H THR A 51 -6.360 -0.554 7.120 1.00 0.00 H new ATOM 0 HA THR A 51 -4.370 1.114 8.327 1.00 0.00 H new ATOM 0 HB THR A 51 -7.344 0.659 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.648 2.283 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.321 3.060 9.569 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.176 2.131 10.566 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.577 3.132 9.222 1.00 0.00 H new ATOM 833 N TYR A 52 -5.351 -1.305 10.221 1.00 0.00 N ATOM 834 CA TYR A 52 -5.103 -1.921 11.557 1.00 0.00 C ATOM 835 C TYR A 52 -3.861 -2.826 11.532 1.00 0.00 C ATOM 836 O TYR A 52 -2.962 -2.656 12.330 1.00 0.00 O ATOM 837 CB TYR A 52 -6.357 -2.746 11.851 1.00 0.00 C ATOM 838 CG TYR A 52 -6.882 -2.386 13.221 1.00 0.00 C ATOM 839 CD1 TYR A 52 -6.292 -2.939 14.364 1.00 0.00 C ATOM 840 CD2 TYR A 52 -7.958 -1.499 13.348 1.00 0.00 C ATOM 841 CE1 TYR A 52 -6.778 -2.606 15.633 1.00 0.00 C ATOM 842 CE2 TYR A 52 -8.443 -1.166 14.618 1.00 0.00 C ATOM 843 CZ TYR A 52 -7.854 -1.719 15.760 1.00 0.00 C ATOM 844 OH TYR A 52 -8.332 -1.390 17.012 1.00 0.00 O ATOM 0 H TYR A 52 -5.848 -1.896 9.555 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.915 -1.164 12.318 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.118 -2.553 11.095 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.125 -3.810 11.806 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.462 -3.623 14.266 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.413 -1.072 12.467 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.323 -3.033 16.515 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.273 -0.482 14.716 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.079 -0.763 16.922 1.00 0.00 H new ATOM 854 N PRO A 53 -3.857 -3.769 10.625 1.00 0.00 N ATOM 855 CA PRO A 53 -2.717 -4.714 10.522 1.00 0.00 C ATOM 856 C PRO A 53 -1.498 -4.042 9.882 1.00 0.00 C ATOM 857 O PRO A 53 -0.447 -4.640 9.758 1.00 0.00 O ATOM 858 CB PRO A 53 -3.255 -5.828 9.629 1.00 0.00 C ATOM 859 CG PRO A 53 -4.340 -5.192 8.819 1.00 0.00 C ATOM 860 CD PRO A 53 -4.896 -4.045 9.624 1.00 0.00 C ATOM 0 HA PRO A 53 -2.379 -5.073 11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.471 -6.232 8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.641 -6.657 10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.948 -4.837 7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.123 -5.916 8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.086 -3.174 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.842 -4.311 10.095 1.00 0.00 H new ATOM 868 N THR A 54 -1.622 -2.809 9.476 1.00 0.00 N ATOM 869 CA THR A 54 -0.459 -2.116 8.849 1.00 0.00 C ATOM 870 C THR A 54 0.733 -2.102 9.811 1.00 0.00 C ATOM 871 O THR A 54 1.851 -1.826 9.424 1.00 0.00 O ATOM 872 CB THR A 54 -0.942 -0.690 8.577 1.00 0.00 C ATOM 873 OG1 THR A 54 0.175 0.137 8.283 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.669 -0.150 9.809 1.00 0.00 C ATOM 0 H THR A 54 -2.474 -2.252 9.550 1.00 0.00 H new ATOM 0 HA THR A 54 -0.127 -2.615 7.938 1.00 0.00 H new ATOM 0 HB THR A 54 -1.626 -0.694 7.729 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.132 1.051 8.107 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.012 0.866 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.526 -0.785 10.033 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.988 -0.145 10.660 1.00 0.00 H new ATOM 882 N LYS A 55 0.505 -2.397 11.063 1.00 0.00 N ATOM 883 CA LYS A 55 1.627 -2.397 12.047 1.00 0.00 C ATOM 884 C LYS A 55 2.536 -3.610 11.822 1.00 0.00 C ATOM 885 O LYS A 55 3.745 -3.496 11.812 1.00 0.00 O ATOM 886 CB LYS A 55 0.952 -2.477 13.416 1.00 0.00 C ATOM 887 CG LYS A 55 0.129 -1.210 13.655 1.00 0.00 C ATOM 888 CD LYS A 55 0.732 -0.421 14.819 1.00 0.00 C ATOM 889 CE LYS A 55 -0.388 0.057 15.746 1.00 0.00 C ATOM 890 NZ LYS A 55 -0.911 1.298 15.111 1.00 0.00 N ATOM 0 H LYS A 55 -0.409 -2.638 11.447 1.00 0.00 H new ATOM 0 HA LYS A 55 2.256 -1.512 11.953 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.309 -3.356 13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.703 -2.588 14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.116 -0.597 12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.906 -1.472 13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.434 -1.046 15.371 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.295 0.432 14.441 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.170 -0.697 15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.012 0.256 16.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.683 1.685 15.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.147 2.000 15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.269 1.077 14.160 1.00 0.00 H new ATOM 904 N TYR A 56 1.965 -4.770 11.644 1.00 0.00 N ATOM 905 CA TYR A 56 2.802 -5.986 11.420 1.00 0.00 C ATOM 906 C TYR A 56 3.562 -5.863 10.096 1.00 0.00 C ATOM 907 O TYR A 56 4.766 -6.034 10.039 1.00 0.00 O ATOM 908 CB TYR A 56 1.808 -7.146 11.368 1.00 0.00 C ATOM 909 CG TYR A 56 0.912 -7.094 12.581 1.00 0.00 C ATOM 910 CD1 TYR A 56 1.472 -7.052 13.864 1.00 0.00 C ATOM 911 CD2 TYR A 56 -0.480 -7.086 12.426 1.00 0.00 C ATOM 912 CE1 TYR A 56 0.642 -7.002 14.990 1.00 0.00 C ATOM 913 CE2 TYR A 56 -1.310 -7.036 13.553 1.00 0.00 C ATOM 914 CZ TYR A 56 -0.749 -6.994 14.835 1.00 0.00 C ATOM 915 OH TYR A 56 -1.567 -6.945 15.945 1.00 0.00 O ATOM 0 H TYR A 56 0.958 -4.930 11.644 1.00 0.00 H new ATOM 0 HA TYR A 56 3.548 -6.128 12.202 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.211 -7.087 10.458 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.342 -8.096 11.337 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.545 -7.058 13.985 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.913 -7.118 11.437 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.075 -6.970 15.979 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.383 -7.030 13.433 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.505 -6.945 15.661 1.00 0.00 H new ATOM 925 N PHE A 57 2.871 -5.558 9.033 1.00 0.00 N ATOM 926 CA PHE A 57 3.558 -5.416 7.721 1.00 0.00 C ATOM 927 C PHE A 57 4.653 -4.353 7.835 1.00 0.00 C ATOM 928 O PHE A 57 5.718 -4.478 7.264 1.00 0.00 O ATOM 929 CB PHE A 57 2.457 -4.976 6.747 1.00 0.00 C ATOM 930 CG PHE A 57 2.983 -3.908 5.816 1.00 0.00 C ATOM 931 CD1 PHE A 57 3.805 -4.260 4.739 1.00 0.00 C ATOM 932 CD2 PHE A 57 2.647 -2.567 6.031 1.00 0.00 C ATOM 933 CE1 PHE A 57 4.291 -3.270 3.877 1.00 0.00 C ATOM 934 CE2 PHE A 57 3.133 -1.576 5.168 1.00 0.00 C ATOM 935 CZ PHE A 57 3.955 -1.928 4.092 1.00 0.00 C ATOM 0 H PHE A 57 1.863 -5.402 9.017 1.00 0.00 H new ATOM 0 HA PHE A 57 4.039 -6.335 7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.108 -5.832 6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.600 -4.595 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.064 -5.295 4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.013 -2.296 6.862 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.925 -3.541 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.873 -0.541 5.333 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.330 -1.164 3.427 1.00 0.00 H new ATOM 945 N GLY A 58 4.400 -3.313 8.582 1.00 0.00 N ATOM 946 CA GLY A 58 5.424 -2.246 8.747 1.00 0.00 C ATOM 947 C GLY A 58 6.653 -2.830 9.446 1.00 0.00 C ATOM 948 O GLY A 58 7.774 -2.453 9.170 1.00 0.00 O ATOM 0 H GLY A 58 3.527 -3.157 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.703 -1.840 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.016 -1.422 9.332 1.00 0.00 H new ATOM 952 N CYS A 59 6.453 -3.745 10.354 1.00 0.00 N ATOM 953 CA CYS A 59 7.615 -4.346 11.067 1.00 0.00 C ATOM 954 C CYS A 59 8.587 -4.951 10.053 1.00 0.00 C ATOM 955 O CYS A 59 9.789 -4.889 10.217 1.00 0.00 O ATOM 956 CB CYS A 59 7.015 -5.438 11.953 1.00 0.00 C ATOM 957 SG CYS A 59 7.680 -5.287 13.630 1.00 0.00 S ATOM 0 H CYS A 59 5.539 -4.101 10.632 1.00 0.00 H new ATOM 0 HA CYS A 59 8.172 -3.613 11.650 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.929 -5.350 11.972 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.248 -6.421 11.545 1.00 0.00 H new ATOM 0 HG CYS A 59 7.169 -6.214 14.385 1.00 0.00 H new ATOM 963 N GLU A 60 8.075 -5.534 9.005 1.00 0.00 N ATOM 964 CA GLU A 60 8.970 -6.144 7.979 1.00 0.00 C ATOM 965 C GLU A 60 9.821 -5.067 7.293 1.00 0.00 C ATOM 966 O GLU A 60 11.022 -5.201 7.169 1.00 0.00 O ATOM 967 CB GLU A 60 8.026 -6.803 6.972 1.00 0.00 C ATOM 968 CG GLU A 60 8.735 -7.983 6.304 1.00 0.00 C ATOM 969 CD GLU A 60 8.980 -9.083 7.338 1.00 0.00 C ATOM 970 OE1 GLU A 60 9.919 -8.948 8.106 1.00 0.00 O ATOM 971 OE2 GLU A 60 8.226 -10.042 7.344 1.00 0.00 O ATOM 0 H GLU A 60 7.076 -5.615 8.814 1.00 0.00 H new ATOM 0 HA GLU A 60 9.666 -6.859 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.122 -7.146 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.716 -6.078 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.129 -8.368 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.682 -7.656 5.874 1.00 0.00 H new ATOM 978 N LEU A 61 9.209 -4.005 6.840 1.00 0.00 N ATOM 979 CA LEU A 61 9.993 -2.931 6.153 1.00 0.00 C ATOM 980 C LEU A 61 10.670 -2.006 7.174 1.00 0.00 C ATOM 981 O LEU A 61 11.186 -0.962 6.830 1.00 0.00 O ATOM 982 CB LEU A 61 8.978 -2.152 5.308 1.00 0.00 C ATOM 983 CG LEU A 61 7.688 -1.934 6.102 1.00 0.00 C ATOM 984 CD1 LEU A 61 7.258 -0.470 5.991 1.00 0.00 C ATOM 985 CD2 LEU A 61 6.586 -2.832 5.534 1.00 0.00 C ATOM 0 H LEU A 61 8.206 -3.833 6.914 1.00 0.00 H new ATOM 0 HA LEU A 61 10.790 -3.352 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.400 -1.191 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.761 -2.699 4.391 1.00 0.00 H new ATOM 0 HG LEU A 61 7.860 -2.182 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.339 -0.317 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.043 0.171 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.085 -0.220 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.666 -2.679 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.416 -2.582 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.890 -3.876 5.613 1.00 0.00 H new ATOM 997 N GLY A 62 10.682 -2.384 8.423 1.00 0.00 N ATOM 998 CA GLY A 62 11.338 -1.529 9.457 1.00 0.00 C ATOM 999 C GLY A 62 10.537 -0.241 9.665 1.00 0.00 C ATOM 1000 O GLY A 62 10.934 0.633 10.410 1.00 0.00 O ATOM 0 H GLY A 62 10.267 -3.247 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.412 -2.075 10.397 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.355 -1.287 9.148 1.00 0.00 H new ATOM 1004 N ALA A 63 9.411 -0.118 9.022 1.00 0.00 N ATOM 1005 CA ALA A 63 8.581 1.112 9.191 1.00 0.00 C ATOM 1006 C ALA A 63 7.246 0.735 9.832 1.00 0.00 C ATOM 1007 O ALA A 63 6.870 -0.418 9.848 1.00 0.00 O ATOM 1008 CB ALA A 63 8.373 1.650 7.776 1.00 0.00 C ATOM 0 H ALA A 63 9.027 -0.816 8.385 1.00 0.00 H new ATOM 0 HA ALA A 63 9.052 1.856 9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.770 2.557 7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.340 1.877 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.861 0.900 7.173 1.00 0.00 H new ATOM 1014 N GLN A 64 6.520 1.676 10.366 1.00 0.00 N ATOM 1015 CA GLN A 64 5.230 1.326 10.992 1.00 0.00 C ATOM 1016 C GLN A 64 4.095 2.048 10.275 1.00 0.00 C ATOM 1017 O GLN A 64 3.913 1.912 9.082 1.00 0.00 O ATOM 1018 CB GLN A 64 5.356 1.797 12.441 1.00 0.00 C ATOM 1019 CG GLN A 64 4.260 1.146 13.287 1.00 0.00 C ATOM 1020 CD GLN A 64 3.863 2.089 14.424 1.00 0.00 C ATOM 1021 OE1 GLN A 64 2.747 2.050 14.900 1.00 0.00 O ATOM 1022 NE2 GLN A 64 4.738 2.942 14.883 1.00 0.00 N ATOM 0 H GLN A 64 6.768 2.665 10.393 1.00 0.00 H new ATOM 0 HA GLN A 64 5.008 0.260 10.936 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.338 1.536 12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.271 2.883 12.490 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.392 0.922 12.667 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.614 0.199 13.693 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.676 2.975 14.484 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.484 3.575 15.641 1.00 0.00 H new ATOM 1031 N THR A 65 3.327 2.805 10.994 1.00 0.00 N ATOM 1032 CA THR A 65 2.192 3.527 10.353 1.00 0.00 C ATOM 1033 C THR A 65 1.883 4.845 11.071 1.00 0.00 C ATOM 1034 O THR A 65 2.379 5.118 12.146 1.00 0.00 O ATOM 1035 CB THR A 65 1.001 2.578 10.449 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.365 2.741 11.709 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.472 1.130 10.293 1.00 0.00 C ATOM 0 H THR A 65 3.431 2.959 11.997 1.00 0.00 H new ATOM 0 HA THR A 65 2.428 3.791 9.322 1.00 0.00 H new ATOM 0 HB THR A 65 0.294 2.809 9.652 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.589 2.920 11.573 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.616 0.459 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.952 1.006 9.322 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.184 0.892 11.083 1.00 0.00 H new ATOM 1045 N GLN A 66 1.035 5.646 10.483 1.00 0.00 N ATOM 1046 CA GLN A 66 0.638 6.940 11.113 1.00 0.00 C ATOM 1047 C GLN A 66 -0.794 7.265 10.685 1.00 0.00 C ATOM 1048 O GLN A 66 -1.171 7.037 9.552 1.00 0.00 O ATOM 1049 CB GLN A 66 1.619 7.975 10.563 1.00 0.00 C ATOM 1050 CG GLN A 66 2.175 8.816 11.715 1.00 0.00 C ATOM 1051 CD GLN A 66 1.232 9.988 11.993 1.00 0.00 C ATOM 1052 OE1 GLN A 66 0.478 9.963 12.946 1.00 0.00 O ATOM 1053 NE2 GLN A 66 1.241 11.021 11.195 1.00 0.00 N ATOM 0 H GLN A 66 0.595 5.457 9.582 1.00 0.00 H new ATOM 0 HA GLN A 66 0.667 6.916 12.202 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.433 7.476 10.037 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.118 8.617 9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.282 8.202 12.609 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.168 9.187 11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.874 11.042 10.395 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.615 11.807 11.371 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.611 7.763 11.571 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.019 8.049 11.174 1.00 0.00 C ATOM 1064 C PHE A 67 -3.447 9.478 11.484 1.00 0.00 C ATOM 1065 O PHE A 67 -3.050 10.059 12.475 1.00 0.00 O ATOM 1066 CB PHE A 67 -3.841 7.041 11.966 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.778 5.753 11.209 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.266 5.719 9.908 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.195 4.616 11.776 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -4.185 4.552 9.164 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -3.101 3.440 11.027 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.598 3.407 9.717 1.00 0.00 C ATOM 0 H PHE A 67 -1.371 7.982 12.538 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.154 7.957 10.096 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.441 6.919 12.972 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.872 7.379 12.072 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.709 6.604 9.476 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.819 4.646 12.788 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.575 4.526 8.157 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.647 2.559 11.456 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.528 2.500 9.135 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.288 10.039 10.654 1.00 0.00 N ATOM 1083 CA ASP A 68 -4.773 11.417 10.922 1.00 0.00 C ATOM 1084 C ASP A 68 -6.298 11.393 11.034 1.00 0.00 C ATOM 1085 O ASP A 68 -6.994 11.057 10.096 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.324 12.245 9.718 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.817 13.606 10.194 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -4.188 14.005 11.287 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -3.068 14.228 9.460 1.00 0.00 O ATOM 0 H ASP A 68 -4.655 9.602 9.809 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.382 11.834 11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.536 11.721 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.154 12.377 9.024 1.00 0.00 H new ATOM 1094 N VAL A 69 -6.824 11.740 12.176 1.00 0.00 N ATOM 1095 CA VAL A 69 -8.305 11.727 12.346 1.00 0.00 C ATOM 1096 C VAL A 69 -8.893 13.052 11.872 1.00 0.00 C ATOM 1097 O VAL A 69 -9.647 13.102 10.920 1.00 0.00 O ATOM 1098 CB VAL A 69 -8.525 11.532 13.844 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -9.984 11.153 14.101 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -7.611 10.410 14.343 1.00 0.00 C ATOM 0 H VAL A 69 -6.294 12.031 12.997 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.790 10.943 11.764 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.294 12.457 14.372 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.141 11.014 15.171 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.636 11.948 13.739 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.217 10.226 13.577 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.763 10.265 15.413 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.847 9.486 13.815 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.571 10.678 14.157 1.00 0.00 H new ATOM 1110 N LYS A 70 -8.541 14.133 12.511 1.00 0.00 N ATOM 1111 CA LYS A 70 -9.071 15.450 12.069 1.00 0.00 C ATOM 1112 C LYS A 70 -8.711 15.662 10.599 1.00 0.00 C ATOM 1113 O LYS A 70 -9.252 16.519 9.930 1.00 0.00 O ATOM 1114 CB LYS A 70 -8.370 16.482 12.954 1.00 0.00 C ATOM 1115 CG LYS A 70 -8.753 16.245 14.415 1.00 0.00 C ATOM 1116 CD LYS A 70 -7.845 17.077 15.324 1.00 0.00 C ATOM 1117 CE LYS A 70 -6.381 16.755 15.014 1.00 0.00 C ATOM 1118 NZ LYS A 70 -5.864 17.958 14.307 1.00 0.00 N ATOM 0 H LYS A 70 -7.913 14.161 13.315 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.155 15.525 12.158 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.289 16.406 12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.655 17.490 12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.796 16.518 14.577 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.659 15.187 14.659 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.035 18.139 15.172 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.063 16.861 16.370 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.818 16.561 15.927 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.296 15.864 14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.038 17.695 13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.607 18.344 13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.585 18.677 15.004 1.00 0.00 H new ATOM 1132 N ASN A 71 -7.794 14.878 10.094 1.00 0.00 N ATOM 1133 CA ASN A 71 -7.388 15.019 8.669 1.00 0.00 C ATOM 1134 C ASN A 71 -7.960 13.868 7.834 1.00 0.00 C ATOM 1135 O ASN A 71 -8.213 14.023 6.657 1.00 0.00 O ATOM 1136 CB ASN A 71 -5.862 14.968 8.684 1.00 0.00 C ATOM 1137 CG ASN A 71 -5.305 16.090 7.806 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -5.579 17.250 8.036 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -4.528 15.790 6.801 1.00 0.00 N ATOM 0 H ASN A 71 -7.309 14.145 10.611 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.759 15.943 8.225 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.494 15.074 9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.516 14.001 8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.151 16.530 6.209 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.298 14.815 6.608 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.164 12.713 8.427 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.722 11.565 7.647 1.00 0.00 C ATOM 1148 C ASP A 72 -7.679 11.051 6.662 1.00 0.00 C ATOM 1149 O ASP A 72 -7.984 10.344 5.723 1.00 0.00 O ATOM 1150 CB ASP A 72 -9.891 12.149 6.877 1.00 0.00 C ATOM 1151 CG ASP A 72 -10.707 13.070 7.788 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -10.947 12.686 8.921 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.077 14.140 7.337 1.00 0.00 O ATOM 0 H ASP A 72 -7.969 12.519 9.409 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.014 10.735 8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.527 12.706 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.523 11.347 6.495 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.453 11.409 6.873 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.375 10.954 5.955 1.00 0.00 C ATOM 1160 C ARG A 73 -4.441 10.022 6.709 1.00 0.00 C ATOM 1161 O ARG A 73 -3.988 10.326 7.795 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.644 12.230 5.535 1.00 0.00 C ATOM 1163 CG ARG A 73 -4.781 12.421 4.023 1.00 0.00 C ATOM 1164 CD ARG A 73 -4.932 13.911 3.708 1.00 0.00 C ATOM 1165 NE ARG A 73 -4.570 14.038 2.269 1.00 0.00 N ATOM 1166 CZ ARG A 73 -4.216 15.197 1.786 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -4.578 16.295 2.392 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -3.499 15.259 0.696 1.00 0.00 N ATOM 0 H ARG A 73 -6.144 12.000 7.645 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.754 10.410 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.060 13.090 6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.591 12.167 5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.905 12.018 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.646 11.871 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.951 14.252 3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.277 14.516 4.335 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.599 13.219 1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.138 16.247 3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.301 17.201 2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.216 14.401 0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.222 16.165 0.318 1.00 0.00 H new ATOM 1182 N TYR A 74 -4.159 8.880 6.160 1.00 0.00 N ATOM 1183 CA TYR A 74 -3.271 7.928 6.872 1.00 0.00 C ATOM 1184 C TYR A 74 -1.931 7.793 6.149 1.00 0.00 C ATOM 1185 O TYR A 74 -1.868 7.556 4.960 1.00 0.00 O ATOM 1186 CB TYR A 74 -4.040 6.610 6.864 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.475 6.860 7.283 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.798 7.984 8.061 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.484 5.977 6.881 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -7.127 8.220 8.436 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.812 6.213 7.259 1.00 0.00 C ATOM 1192 CZ TYR A 74 -8.134 7.334 8.035 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.444 7.566 8.404 1.00 0.00 O ATOM 0 H TYR A 74 -4.503 8.565 5.253 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.033 8.256 7.884 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.012 6.167 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.570 5.898 7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.021 8.667 8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.239 5.114 6.280 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.374 9.085 9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.589 5.529 6.952 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.016 6.857 8.043 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.862 7.944 6.876 1.00 0.00 N ATOM 1204 CA ILE A 75 0.493 7.830 6.270 1.00 0.00 C ATOM 1205 C ILE A 75 1.342 6.890 7.123 1.00 0.00 C ATOM 1206 O ILE A 75 1.157 6.798 8.318 1.00 0.00 O ATOM 1207 CB ILE A 75 1.065 9.248 6.298 1.00 0.00 C ATOM 1208 CG1 ILE A 75 -0.016 10.243 5.865 1.00 0.00 C ATOM 1209 CG2 ILE A 75 2.252 9.339 5.338 1.00 0.00 C ATOM 1210 CD1 ILE A 75 -0.433 9.948 4.424 1.00 0.00 C ATOM 0 H ILE A 75 -0.869 8.144 7.876 1.00 0.00 H new ATOM 0 HA ILE A 75 0.473 7.430 5.256 1.00 0.00 H new ATOM 0 HB ILE A 75 1.396 9.485 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.879 10.170 6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.361 11.263 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.660 10.350 5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.022 8.631 5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.921 9.101 4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.202 10.656 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.432 10.044 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.827 8.934 4.360 1.00 0.00 H new ATOM 1222 N VAL A 76 2.263 6.185 6.531 1.00 0.00 N ATOM 1223 CA VAL A 76 3.100 5.252 7.337 1.00 0.00 C ATOM 1224 C VAL A 76 4.542 5.749 7.367 1.00 0.00 C ATOM 1225 O VAL A 76 5.068 6.227 6.382 1.00 0.00 O ATOM 1226 CB VAL A 76 3.005 3.907 6.617 1.00 0.00 C ATOM 1227 CG1 VAL A 76 1.535 3.539 6.411 1.00 0.00 C ATOM 1228 CG2 VAL A 76 3.699 4.008 5.258 1.00 0.00 C ATOM 0 H VAL A 76 2.472 6.212 5.533 1.00 0.00 H new ATOM 0 HA VAL A 76 2.765 5.177 8.371 1.00 0.00 H new ATOM 0 HB VAL A 76 3.490 3.138 7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.469 2.580 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.039 3.468 7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.049 4.307 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.632 3.050 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.213 4.777 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.747 4.269 5.403 1.00 0.00 H new ATOM 1238 N ASN A 77 5.185 5.656 8.500 1.00 0.00 N ATOM 1239 CA ASN A 77 6.591 6.145 8.590 1.00 0.00 C ATOM 1240 C ASN A 77 7.519 5.239 7.782 1.00 0.00 C ATOM 1241 O ASN A 77 7.409 4.030 7.811 1.00 0.00 O ATOM 1242 CB ASN A 77 6.947 6.112 10.079 1.00 0.00 C ATOM 1243 CG ASN A 77 6.561 4.759 10.680 1.00 0.00 C ATOM 1244 OD1 ASN A 77 5.633 4.119 10.226 1.00 0.00 O ATOM 1245 ND2 ASN A 77 7.242 4.293 11.691 1.00 0.00 N ATOM 0 H ASN A 77 4.801 5.266 9.361 1.00 0.00 H new ATOM 0 HA ASN A 77 6.701 7.150 8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.015 6.286 10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.427 6.914 10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.995 3.392 12.100 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.021 4.830 12.072 1.00 0.00 H new ATOM 1252 N GLY A 78 8.427 5.823 7.048 1.00 0.00 N ATOM 1253 CA GLY A 78 9.360 5.009 6.220 1.00 0.00 C ATOM 1254 C GLY A 78 8.981 5.171 4.749 1.00 0.00 C ATOM 1255 O GLY A 78 7.835 5.023 4.377 1.00 0.00 O ATOM 0 H GLY A 78 8.563 6.832 6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.388 5.332 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.305 3.960 6.511 1.00 0.00 H new ATOM 1259 N SER A 79 9.926 5.480 3.906 1.00 0.00 N ATOM 1260 CA SER A 79 9.598 5.655 2.464 1.00 0.00 C ATOM 1261 C SER A 79 9.782 4.339 1.708 1.00 0.00 C ATOM 1262 O SER A 79 10.853 3.764 1.686 1.00 0.00 O ATOM 1263 CB SER A 79 10.577 6.702 1.948 1.00 0.00 C ATOM 1264 OG SER A 79 11.907 6.268 2.196 1.00 0.00 O ATOM 0 H SER A 79 10.906 5.618 4.151 1.00 0.00 H new ATOM 0 HA SER A 79 8.562 5.962 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.428 6.860 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.397 7.658 2.440 1.00 0.00 H new ATOM 0 HG SER A 79 11.963 5.298 2.070 1.00 0.00 H new ATOM 1270 N HIS A 80 8.745 3.865 1.082 1.00 0.00 N ATOM 1271 CA HIS A 80 8.849 2.589 0.315 1.00 0.00 C ATOM 1272 C HIS A 80 8.023 2.681 -0.971 1.00 0.00 C ATOM 1273 O HIS A 80 6.813 2.786 -0.938 1.00 0.00 O ATOM 1274 CB HIS A 80 8.291 1.505 1.241 1.00 0.00 C ATOM 1275 CG HIS A 80 7.209 2.080 2.114 1.00 0.00 C ATOM 1276 ND1 HIS A 80 7.483 2.658 3.343 1.00 0.00 N ATOM 1277 CD2 HIS A 80 5.849 2.168 1.954 1.00 0.00 C ATOM 1278 CE1 HIS A 80 6.314 3.063 3.871 1.00 0.00 C ATOM 1279 NE2 HIS A 80 5.286 2.790 3.064 1.00 0.00 N ATOM 0 H HIS A 80 7.825 4.305 1.066 1.00 0.00 H new ATOM 0 HA HIS A 80 9.876 2.371 0.021 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.893 0.680 0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.090 1.097 1.860 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.404 2.758 3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.299 1.809 1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.219 3.550 4.830 1.00 0.00 H new ATOM 1287 N GLU A 81 8.668 2.639 -2.105 1.00 0.00 N ATOM 1288 CA GLU A 81 7.919 2.722 -3.391 1.00 0.00 C ATOM 1289 C GLU A 81 6.904 1.578 -3.483 1.00 0.00 C ATOM 1290 O GLU A 81 7.043 0.559 -2.835 1.00 0.00 O ATOM 1291 CB GLU A 81 8.992 2.595 -4.478 1.00 0.00 C ATOM 1292 CG GLU A 81 8.388 1.992 -5.748 1.00 0.00 C ATOM 1293 CD GLU A 81 9.091 2.579 -6.974 1.00 0.00 C ATOM 1294 OE1 GLU A 81 10.030 3.336 -6.789 1.00 0.00 O ATOM 1295 OE2 GLU A 81 8.680 2.261 -8.077 1.00 0.00 O ATOM 0 H GLU A 81 9.680 2.551 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 81 7.354 3.649 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.415 3.575 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.809 1.968 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.498 0.908 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.320 2.204 -5.792 1.00 0.00 H new ATOM 1302 N ALA A 82 5.882 1.741 -4.278 1.00 0.00 N ATOM 1303 CA ALA A 82 4.858 0.665 -4.405 1.00 0.00 C ATOM 1304 C ALA A 82 5.532 -0.672 -4.725 1.00 0.00 C ATOM 1305 O ALA A 82 5.121 -1.713 -4.255 1.00 0.00 O ATOM 1306 CB ALA A 82 3.965 1.109 -5.563 1.00 0.00 C ATOM 0 H ALA A 82 5.712 2.572 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 82 4.292 0.520 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.181 0.368 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.512 2.071 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.564 1.205 -6.469 1.00 0.00 H new ATOM 1312 N ASN A 83 6.568 -0.650 -5.519 1.00 0.00 N ATOM 1313 CA ASN A 83 7.269 -1.920 -5.861 1.00 0.00 C ATOM 1314 C ASN A 83 7.711 -2.631 -4.581 1.00 0.00 C ATOM 1315 O ASN A 83 7.729 -3.843 -4.503 1.00 0.00 O ATOM 1316 CB ASN A 83 8.483 -1.495 -6.688 1.00 0.00 C ATOM 1317 CG ASN A 83 8.820 -2.590 -7.701 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.524 -2.462 -8.872 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.431 -3.670 -7.297 1.00 0.00 N ATOM 0 H ASN A 83 6.958 0.191 -5.945 1.00 0.00 H new ATOM 0 HA ASN A 83 6.631 -2.613 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.274 -0.558 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.336 -1.315 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.660 -4.406 -7.965 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.680 -3.778 -6.314 1.00 0.00 H new ATOM 1326 N LYS A 84 8.059 -1.881 -3.573 1.00 0.00 N ATOM 1327 CA LYS A 84 8.489 -2.503 -2.290 1.00 0.00 C ATOM 1328 C LYS A 84 7.326 -3.295 -1.690 1.00 0.00 C ATOM 1329 O LYS A 84 7.503 -4.374 -1.160 1.00 0.00 O ATOM 1330 CB LYS A 84 8.867 -1.330 -1.385 1.00 0.00 C ATOM 1331 CG LYS A 84 9.451 -1.863 -0.075 1.00 0.00 C ATOM 1332 CD LYS A 84 10.974 -1.953 -0.195 1.00 0.00 C ATOM 1333 CE LYS A 84 11.584 -0.563 0.003 1.00 0.00 C ATOM 1334 NZ LYS A 84 11.495 -0.310 1.468 1.00 0.00 N ATOM 0 H LYS A 84 8.064 -0.861 -3.583 1.00 0.00 H new ATOM 0 HA LYS A 84 9.321 -3.195 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.594 -0.690 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.989 -0.717 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.179 -1.206 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.034 -2.845 0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.368 -2.644 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.250 -2.347 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.618 -0.533 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.038 0.192 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.098 0.637 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.880 -1.025 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.445 -0.366 1.888 1.00 0.00 H new ATOM 1348 N LEU A 85 6.135 -2.771 -1.783 1.00 0.00 N ATOM 1349 CA LEU A 85 4.960 -3.500 -1.232 1.00 0.00 C ATOM 1350 C LEU A 85 4.826 -4.847 -1.940 1.00 0.00 C ATOM 1351 O LEU A 85 4.408 -5.830 -1.360 1.00 0.00 O ATOM 1352 CB LEU A 85 3.754 -2.609 -1.539 1.00 0.00 C ATOM 1353 CG LEU A 85 3.686 -1.466 -0.523 1.00 0.00 C ATOM 1354 CD1 LEU A 85 3.774 -2.034 0.893 1.00 0.00 C ATOM 1355 CD2 LEU A 85 4.852 -0.505 -0.760 1.00 0.00 C ATOM 0 H LEU A 85 5.926 -1.871 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 85 5.049 -3.696 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.834 -2.207 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.837 -3.197 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 85 2.743 -0.932 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.726 -1.219 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.943 -2.719 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.716 -2.569 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.805 0.310 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.794 -1.040 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.789 -0.098 -1.769 1.00 0.00 H new ATOM 1367 N GLN A 86 5.188 -4.899 -3.193 1.00 0.00 N ATOM 1368 CA GLN A 86 5.096 -6.181 -3.944 1.00 0.00 C ATOM 1369 C GLN A 86 6.021 -7.219 -3.310 1.00 0.00 C ATOM 1370 O GLN A 86 5.700 -8.389 -3.239 1.00 0.00 O ATOM 1371 CB GLN A 86 5.555 -5.843 -5.364 1.00 0.00 C ATOM 1372 CG GLN A 86 4.341 -5.788 -6.293 1.00 0.00 C ATOM 1373 CD GLN A 86 3.342 -4.757 -5.767 1.00 0.00 C ATOM 1374 OE1 GLN A 86 2.976 -4.786 -4.608 1.00 0.00 O ATOM 1375 NE2 GLN A 86 2.881 -3.841 -6.575 1.00 0.00 N ATOM 0 H GLN A 86 5.544 -4.107 -3.729 1.00 0.00 H new ATOM 0 HA GLN A 86 4.090 -6.600 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.075 -4.885 -5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.263 -6.593 -5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.654 -5.524 -7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.870 -6.769 -6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.188 -3.817 -7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.213 -3.149 -6.234 1.00 0.00 H new ATOM 1384 N ASP A 87 7.168 -6.803 -2.843 1.00 0.00 N ATOM 1385 CA ASP A 87 8.104 -7.774 -2.207 1.00 0.00 C ATOM 1386 C ASP A 87 7.420 -8.437 -1.009 1.00 0.00 C ATOM 1387 O ASP A 87 7.448 -9.641 -0.850 1.00 0.00 O ATOM 1388 CB ASP A 87 9.299 -6.936 -1.752 1.00 0.00 C ATOM 1389 CG ASP A 87 10.579 -7.485 -2.387 1.00 0.00 C ATOM 1390 OD1 ASP A 87 10.959 -8.593 -2.045 1.00 0.00 O ATOM 1391 OD2 ASP A 87 11.157 -6.788 -3.205 1.00 0.00 O ATOM 0 H ASP A 87 7.496 -5.838 -2.874 1.00 0.00 H new ATOM 0 HA ASP A 87 8.408 -8.570 -2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.156 -5.894 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.380 -6.959 -0.665 1.00 0.00 H new