USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 98 HIS : no HE2:sc= -0.985 K(o=-0.99,f=-2.6) USER MOD Single : A 27 MET CE :methyl -164:sc= -0.794 (180deg=-1.24) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 33 THR OG1 : rot 62:sc= 0.0866 USER MOD Single : A 36 SER OG : rot 180:sc= -0.777 USER MOD Single : A 39 SER OG : rot -81:sc= 0.102 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0.552 (180deg=0.464) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0954 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -113:sc= -1.62 (180deg=-1.84) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 72:sc= 0.444 USER MOD Single : A 66 SER OG : rot 74:sc= 0.445 USER MOD Single : A 68 LYS NZ :NH3+ 142:sc= 0.182 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 140:sc= 0.703 (180deg=0.123) USER MOD Single : A 87 THR OG1 : rot 78:sc= 0.234 USER MOD Single : A 93 GLN : amide:sc= -0.192 K(o=-0.19,f=-1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 6.053 -10.052 -2.433 1.00 0.00 N ATOM 393 CA MET A 27 5.353 -9.086 -1.566 1.00 0.00 C ATOM 394 C MET A 27 4.876 -7.870 -2.401 1.00 0.00 C ATOM 395 O MET A 27 3.854 -7.279 -2.087 1.00 0.00 O ATOM 396 CB MET A 27 6.267 -8.651 -0.367 1.00 0.00 C ATOM 397 CG MET A 27 7.306 -7.550 -0.668 1.00 0.00 C ATOM 398 SD MET A 27 6.566 -5.894 -0.714 1.00 0.00 S ATOM 399 CE MET A 27 7.898 -4.897 -1.359 1.00 0.00 C ATOM 0 HA MET A 27 4.471 -9.564 -1.140 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.627 -8.305 0.444 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.796 -9.531 -0.002 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.088 -7.575 0.091 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.785 -7.758 -1.625 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.687 -3.844 -1.174 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.830 -5.172 -0.866 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.992 -5.065 -2.432 1.00 0.00 H new ATOM 409 N GLU A 28 5.637 -7.537 -3.480 1.00 0.00 N ATOM 410 CA GLU A 28 5.279 -6.483 -4.454 1.00 0.00 C ATOM 411 C GLU A 28 3.948 -6.791 -5.148 1.00 0.00 C ATOM 412 O GLU A 28 3.104 -5.912 -5.286 1.00 0.00 O ATOM 413 CB GLU A 28 6.375 -6.341 -5.541 1.00 0.00 C ATOM 414 CG GLU A 28 7.739 -5.835 -5.045 1.00 0.00 C ATOM 415 CD GLU A 28 8.764 -5.727 -6.181 1.00 0.00 C ATOM 416 OE1 GLU A 28 9.416 -6.746 -6.503 1.00 0.00 O ATOM 417 OE2 GLU A 28 8.893 -4.642 -6.786 1.00 0.00 O ATOM 0 H GLU A 28 6.521 -7.999 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 28 5.188 -5.553 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.518 -7.311 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.012 -5.660 -6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.614 -4.859 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.118 -6.510 -4.278 1.00 0.00 H new ATOM 424 N ASP A 29 3.799 -8.048 -5.599 1.00 0.00 N ATOM 425 CA ASP A 29 2.581 -8.516 -6.284 1.00 0.00 C ATOM 426 C ASP A 29 1.382 -8.488 -5.326 1.00 0.00 C ATOM 427 O ASP A 29 0.268 -8.147 -5.727 1.00 0.00 O ATOM 428 CB ASP A 29 2.784 -9.946 -6.851 1.00 0.00 C ATOM 429 CG ASP A 29 1.521 -10.514 -7.536 1.00 0.00 C ATOM 430 OD1 ASP A 29 1.223 -10.117 -8.686 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.805 -11.326 -6.913 1.00 0.00 O ATOM 0 H ASP A 29 4.516 -8.766 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 29 2.378 -7.842 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.604 -9.932 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.081 -10.612 -6.041 1.00 0.00 H new ATOM 436 N HIS A 30 1.645 -8.834 -4.051 1.00 0.00 N ATOM 437 CA HIS A 30 0.623 -8.848 -2.983 1.00 0.00 C ATOM 438 C HIS A 30 0.246 -7.418 -2.573 1.00 0.00 C ATOM 439 O HIS A 30 -0.887 -7.165 -2.194 1.00 0.00 O ATOM 440 CB HIS A 30 1.120 -9.658 -1.757 1.00 0.00 C ATOM 441 CG HIS A 30 1.477 -11.084 -2.088 1.00 0.00 C ATOM 442 ND1 HIS A 30 2.565 -11.722 -1.552 1.00 0.00 N ATOM 443 CD2 HIS A 30 0.876 -11.995 -2.898 1.00 0.00 C ATOM 444 CE1 HIS A 30 2.624 -12.949 -2.010 1.00 0.00 C ATOM 445 NE2 HIS A 30 1.612 -13.146 -2.828 1.00 0.00 N ATOM 0 H HIS A 30 2.573 -9.112 -3.731 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.270 -9.336 -3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.993 -9.162 -1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.346 -9.654 -0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.016 -11.839 -3.487 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.379 -13.679 -1.757 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.410 -14.013 -3.327 1.00 0.00 H new ATOM 454 N LEU A 31 1.215 -6.491 -2.692 1.00 0.00 N ATOM 455 CA LEU A 31 1.024 -5.047 -2.415 1.00 0.00 C ATOM 456 C LEU A 31 0.201 -4.426 -3.558 1.00 0.00 C ATOM 457 O LEU A 31 -0.620 -3.539 -3.346 1.00 0.00 O ATOM 458 CB LEU A 31 2.429 -4.362 -2.256 1.00 0.00 C ATOM 459 CG LEU A 31 2.543 -3.188 -1.227 1.00 0.00 C ATOM 460 CD1 LEU A 31 4.006 -2.716 -1.104 1.00 0.00 C ATOM 461 CD2 LEU A 31 1.613 -2.008 -1.572 1.00 0.00 C ATOM 0 H LEU A 31 2.164 -6.722 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 31 0.476 -4.896 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.149 -5.130 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.733 -3.985 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 31 2.215 -3.575 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.066 -1.900 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.628 -3.544 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.360 -2.370 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.732 -1.221 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.871 -1.617 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.578 -2.350 -1.577 1.00 0.00 H new ATOM 473 N LEU A 32 0.434 -4.944 -4.767 1.00 0.00 N ATOM 474 CA LEU A 32 -0.301 -4.571 -5.979 1.00 0.00 C ATOM 475 C LEU A 32 -1.760 -5.093 -5.884 1.00 0.00 C ATOM 476 O LEU A 32 -2.686 -4.469 -6.408 1.00 0.00 O ATOM 477 CB LEU A 32 0.442 -5.160 -7.208 1.00 0.00 C ATOM 478 CG LEU A 32 0.055 -4.585 -8.602 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.354 -3.071 -8.685 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.770 -5.359 -9.738 1.00 0.00 C ATOM 0 H LEU A 32 1.153 -5.648 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.346 -3.487 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.512 -5.009 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.271 -6.236 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.019 -4.717 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.073 -2.698 -9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.218 -2.545 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.418 -2.901 -8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.483 -4.938 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.849 -5.275 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.481 -6.409 -9.700 1.00 0.00 H new ATOM 492 N THR A 33 -1.925 -6.250 -5.191 1.00 0.00 N ATOM 493 CA THR A 33 -3.243 -6.848 -4.880 1.00 0.00 C ATOM 494 C THR A 33 -3.985 -5.990 -3.838 1.00 0.00 C ATOM 495 O THR A 33 -5.201 -5.808 -3.938 1.00 0.00 O ATOM 496 CB THR A 33 -3.099 -8.328 -4.354 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.390 -9.125 -5.318 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.461 -9.002 -4.065 1.00 0.00 C ATOM 0 H THR A 33 -1.141 -6.794 -4.832 1.00 0.00 H new ATOM 0 HA THR A 33 -3.820 -6.874 -5.804 1.00 0.00 H new ATOM 0 HB THR A 33 -2.549 -8.269 -3.415 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.486 -8.766 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.295 -10.018 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.995 -8.432 -3.305 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.053 -9.032 -4.980 1.00 0.00 H new ATOM 506 N VAL A 34 -3.230 -5.461 -2.848 1.00 0.00 N ATOM 507 CA VAL A 34 -3.759 -4.514 -1.845 1.00 0.00 C ATOM 508 C VAL A 34 -4.340 -3.280 -2.553 1.00 0.00 C ATOM 509 O VAL A 34 -5.486 -2.911 -2.321 1.00 0.00 O ATOM 510 CB VAL A 34 -2.648 -4.072 -0.808 1.00 0.00 C ATOM 511 CG1 VAL A 34 -3.136 -2.927 0.113 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.148 -5.279 0.024 1.00 0.00 C ATOM 0 H VAL A 34 -2.241 -5.679 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.545 -5.023 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.808 -3.686 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.342 -2.656 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.400 -2.060 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.011 -3.258 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.386 -4.945 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.983 -5.713 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.723 -6.029 -0.643 1.00 0.00 H new ATOM 522 N LEU A 35 -3.532 -2.705 -3.457 1.00 0.00 N ATOM 523 CA LEU A 35 -3.902 -1.530 -4.262 1.00 0.00 C ATOM 524 C LEU A 35 -5.086 -1.818 -5.191 1.00 0.00 C ATOM 525 O LEU A 35 -5.881 -0.929 -5.441 1.00 0.00 O ATOM 526 CB LEU A 35 -2.676 -1.047 -5.079 1.00 0.00 C ATOM 527 CG LEU A 35 -1.551 -0.363 -4.241 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.292 -0.097 -5.099 1.00 0.00 C ATOM 529 CD2 LEU A 35 -2.082 0.938 -3.577 1.00 0.00 C ATOM 0 H LEU A 35 -2.591 -3.047 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.217 -0.742 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.249 -1.902 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.019 -0.345 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.254 -1.046 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.472 0.380 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.091 -1.041 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.550 0.558 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.284 1.402 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.418 1.630 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.916 0.696 -2.919 1.00 0.00 H new ATOM 541 N SER A 36 -5.184 -3.062 -5.688 1.00 0.00 N ATOM 542 CA SER A 36 -6.280 -3.491 -6.576 1.00 0.00 C ATOM 543 C SER A 36 -7.630 -3.434 -5.839 1.00 0.00 C ATOM 544 O SER A 36 -8.603 -2.861 -6.336 1.00 0.00 O ATOM 545 CB SER A 36 -6.004 -4.915 -7.118 1.00 0.00 C ATOM 546 OG SER A 36 -7.007 -5.353 -8.023 1.00 0.00 O ATOM 0 H SER A 36 -4.507 -3.798 -5.487 1.00 0.00 H new ATOM 0 HA SER A 36 -6.331 -2.806 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.036 -4.929 -7.618 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.942 -5.613 -6.283 1.00 0.00 H new ATOM 0 HG SER A 36 -6.790 -6.255 -8.340 1.00 0.00 H new ATOM 552 N VAL A 37 -7.648 -4.011 -4.629 1.00 0.00 N ATOM 553 CA VAL A 37 -8.855 -4.109 -3.781 1.00 0.00 C ATOM 554 C VAL A 37 -9.147 -2.757 -3.078 1.00 0.00 C ATOM 555 O VAL A 37 -10.287 -2.473 -2.713 1.00 0.00 O ATOM 556 CB VAL A 37 -8.691 -5.282 -2.730 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.946 -5.455 -1.836 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.340 -6.615 -3.451 1.00 0.00 C ATOM 0 H VAL A 37 -6.820 -4.428 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.710 -4.339 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.867 -5.009 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.782 -6.272 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.130 -4.533 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.810 -5.682 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.231 -7.410 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.138 -6.873 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.405 -6.497 -3.998 1.00 0.00 H new ATOM 568 N ALA A 38 -8.107 -1.922 -2.927 1.00 0.00 N ATOM 569 CA ALA A 38 -8.213 -0.599 -2.279 1.00 0.00 C ATOM 570 C ALA A 38 -8.805 0.448 -3.250 1.00 0.00 C ATOM 571 O ALA A 38 -9.665 1.247 -2.861 1.00 0.00 O ATOM 572 CB ALA A 38 -6.832 -0.150 -1.764 1.00 0.00 C ATOM 0 H ALA A 38 -7.165 -2.143 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.891 -0.684 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.921 0.827 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.461 -0.875 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.136 -0.084 -2.600 1.00 0.00 H new ATOM 578 N SER A 39 -8.338 0.421 -4.515 1.00 0.00 N ATOM 579 CA SER A 39 -8.755 1.379 -5.554 1.00 0.00 C ATOM 580 C SER A 39 -10.113 0.971 -6.153 1.00 0.00 C ATOM 581 O SER A 39 -11.065 1.759 -6.163 1.00 0.00 O ATOM 582 CB SER A 39 -7.682 1.456 -6.669 1.00 0.00 C ATOM 583 OG SER A 39 -7.533 0.209 -7.339 1.00 0.00 O ATOM 0 H SER A 39 -7.660 -0.267 -4.843 1.00 0.00 H new ATOM 0 HA SER A 39 -8.861 2.362 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.959 2.226 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.727 1.754 -6.236 1.00 0.00 H new ATOM 0 HG SER A 39 -6.952 -0.378 -6.812 1.00 0.00 H new ATOM 589 N GLY A 40 -10.185 -0.288 -6.617 1.00 0.00 N ATOM 590 CA GLY A 40 -11.354 -0.819 -7.319 1.00 0.00 C ATOM 591 C GLY A 40 -10.992 -1.356 -8.697 1.00 0.00 C ATOM 592 O GLY A 40 -11.716 -2.197 -9.245 1.00 0.00 O ATOM 0 H GLY A 40 -9.429 -0.964 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.803 -1.615 -6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.104 -0.035 -7.420 1.00 0.00 H new ATOM 596 N VAL A 41 -9.872 -0.859 -9.269 1.00 0.00 N ATOM 597 CA VAL A 41 -9.345 -1.321 -10.564 1.00 0.00 C ATOM 598 C VAL A 41 -8.415 -2.542 -10.346 1.00 0.00 C ATOM 599 O VAL A 41 -7.803 -2.655 -9.280 1.00 0.00 O ATOM 600 CB VAL A 41 -8.592 -0.148 -11.311 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.524 1.069 -11.514 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.291 0.277 -10.591 1.00 0.00 C ATOM 0 H VAL A 41 -9.310 -0.124 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.176 -1.631 -11.198 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.304 -0.536 -12.288 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.981 1.861 -12.030 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.386 0.772 -12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.863 1.434 -10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.815 1.085 -11.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.528 0.620 -9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.612 -0.574 -10.534 1.00 0.00 H new ATOM 612 N PRO A 42 -8.311 -3.499 -11.336 1.00 0.00 N ATOM 613 CA PRO A 42 -7.435 -4.690 -11.202 1.00 0.00 C ATOM 614 C PRO A 42 -5.939 -4.325 -11.291 1.00 0.00 C ATOM 615 O PRO A 42 -5.583 -3.221 -11.734 1.00 0.00 O ATOM 616 CB PRO A 42 -7.887 -5.600 -12.375 1.00 0.00 C ATOM 617 CG PRO A 42 -8.396 -4.648 -13.411 1.00 0.00 C ATOM 618 CD PRO A 42 -9.038 -3.507 -12.644 1.00 0.00 C ATOM 0 HA PRO A 42 -7.530 -5.176 -10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.059 -6.197 -12.757 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.664 -6.297 -12.060 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.584 -4.287 -14.043 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.118 -5.134 -14.067 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.925 -2.559 -13.170 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.107 -3.670 -12.506 1.00 0.00 H new ATOM 626 N LYS A 43 -5.075 -5.283 -10.888 1.00 0.00 N ATOM 627 CA LYS A 43 -3.603 -5.121 -10.902 1.00 0.00 C ATOM 628 C LYS A 43 -3.082 -4.852 -12.322 1.00 0.00 C ATOM 629 O LYS A 43 -2.030 -4.240 -12.487 1.00 0.00 O ATOM 630 CB LYS A 43 -2.902 -6.387 -10.351 1.00 0.00 C ATOM 631 CG LYS A 43 -3.305 -6.784 -8.917 1.00 0.00 C ATOM 632 CD LYS A 43 -2.456 -7.947 -8.359 1.00 0.00 C ATOM 633 CE LYS A 43 -2.598 -9.244 -9.167 1.00 0.00 C ATOM 634 NZ LYS A 43 -1.784 -10.340 -8.588 1.00 0.00 N ATOM 0 H LYS A 43 -5.379 -6.193 -10.543 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.373 -4.266 -10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.118 -7.222 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.824 -6.228 -10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.203 -5.918 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.357 -7.070 -8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.408 -7.649 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.747 -8.137 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.646 -9.543 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.290 -9.067 -10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.007 -11.232 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.774 -10.123 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.000 -10.435 -7.575 1.00 0.00 H new ATOM 648 N GLU A 44 -3.831 -5.341 -13.332 1.00 0.00 N ATOM 649 CA GLU A 44 -3.492 -5.172 -14.755 1.00 0.00 C ATOM 650 C GLU A 44 -3.497 -3.683 -15.172 1.00 0.00 C ATOM 651 O GLU A 44 -2.704 -3.269 -16.018 1.00 0.00 O ATOM 652 CB GLU A 44 -4.479 -5.997 -15.625 1.00 0.00 C ATOM 653 CG GLU A 44 -4.147 -6.018 -17.137 1.00 0.00 C ATOM 654 CD GLU A 44 -5.034 -6.986 -17.937 1.00 0.00 C ATOM 655 OE1 GLU A 44 -4.774 -8.204 -17.898 1.00 0.00 O ATOM 656 OE2 GLU A 44 -6.003 -6.544 -18.592 1.00 0.00 O ATOM 0 H GLU A 44 -4.692 -5.866 -13.179 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.479 -5.541 -14.914 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.497 -7.023 -15.257 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.483 -5.594 -15.493 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.261 -5.012 -17.542 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.102 -6.299 -17.269 1.00 0.00 H new ATOM 663 N GLU A 45 -4.390 -2.893 -14.553 1.00 0.00 N ATOM 664 CA GLU A 45 -4.519 -1.447 -14.827 1.00 0.00 C ATOM 665 C GLU A 45 -3.521 -0.618 -13.997 1.00 0.00 C ATOM 666 O GLU A 45 -3.232 0.534 -14.335 1.00 0.00 O ATOM 667 CB GLU A 45 -5.981 -0.987 -14.567 1.00 0.00 C ATOM 668 CG GLU A 45 -7.043 -1.780 -15.356 1.00 0.00 C ATOM 669 CD GLU A 45 -6.861 -1.731 -16.887 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.358 -0.775 -17.520 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.230 -2.646 -17.467 1.00 0.00 O ATOM 0 H GLU A 45 -5.043 -3.236 -13.849 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.278 -1.277 -15.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.194 -1.076 -13.502 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.069 0.069 -14.822 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.019 -2.820 -15.032 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.030 -1.391 -15.106 1.00 0.00 H new ATOM 678 N ILE A 46 -2.995 -1.225 -12.915 1.00 0.00 N ATOM 679 CA ILE A 46 -2.009 -0.590 -12.014 1.00 0.00 C ATOM 680 C ILE A 46 -0.579 -1.044 -12.403 1.00 0.00 C ATOM 681 O ILE A 46 -0.387 -2.116 -12.991 1.00 0.00 O ATOM 682 CB ILE A 46 -2.297 -0.959 -10.495 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.823 -0.838 -10.170 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.462 -0.071 -9.525 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.215 -1.237 -8.758 1.00 0.00 C ATOM 0 H ILE A 46 -3.243 -2.175 -12.639 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.094 0.491 -12.122 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.993 -1.995 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.134 0.193 -10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.379 -1.458 -10.874 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.683 -0.350 -8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.400 -0.218 -9.721 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.718 0.977 -9.680 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.291 -1.118 -8.632 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.942 -2.278 -8.585 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.694 -0.601 -8.042 1.00 0.00 H new ATOM 697 N SER A 47 0.407 -0.205 -12.082 1.00 0.00 N ATOM 698 CA SER A 47 1.833 -0.519 -12.209 1.00 0.00 C ATOM 699 C SER A 47 2.605 0.366 -11.227 1.00 0.00 C ATOM 700 O SER A 47 1.995 1.200 -10.538 1.00 0.00 O ATOM 701 CB SER A 47 2.311 -0.283 -13.665 1.00 0.00 C ATOM 702 OG SER A 47 3.651 -0.714 -13.850 1.00 0.00 O ATOM 0 H SER A 47 0.234 0.732 -11.719 1.00 0.00 H new ATOM 0 HA SER A 47 2.011 -1.568 -11.975 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.658 -0.817 -14.355 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.232 0.777 -13.908 1.00 0.00 H new ATOM 0 HG SER A 47 3.921 -0.553 -14.778 1.00 0.00 H new ATOM 708 N ARG A 48 3.938 0.175 -11.158 1.00 0.00 N ATOM 709 CA ARG A 48 4.840 1.079 -10.415 1.00 0.00 C ATOM 710 C ARG A 48 4.715 2.507 -10.993 1.00 0.00 C ATOM 711 O ARG A 48 4.613 3.497 -10.250 1.00 0.00 O ATOM 712 CB ARG A 48 6.318 0.532 -10.434 1.00 0.00 C ATOM 713 CG ARG A 48 7.014 0.395 -11.833 1.00 0.00 C ATOM 714 CD ARG A 48 7.716 1.691 -12.311 1.00 0.00 C ATOM 715 NE ARG A 48 8.274 1.563 -13.668 1.00 0.00 N ATOM 716 CZ ARG A 48 8.599 2.590 -14.475 1.00 0.00 C ATOM 717 NH1 ARG A 48 8.369 3.844 -14.115 1.00 0.00 N ATOM 718 NH2 ARG A 48 9.142 2.350 -15.657 1.00 0.00 N ATOM 0 H ARG A 48 4.417 -0.603 -11.611 1.00 0.00 H new ATOM 0 HA ARG A 48 4.549 1.120 -9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.929 1.189 -9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.321 -0.448 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.749 -0.409 -11.786 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.268 0.103 -12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.003 2.515 -12.291 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.516 1.945 -11.615 1.00 0.00 H new ATOM 0 HE ARG A 48 8.426 0.620 -14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.938 4.045 -13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.622 4.609 -14.740 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.313 1.389 -15.954 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.390 3.126 -16.271 1.00 0.00 H new ATOM 732 N ASP A 49 4.636 2.560 -12.340 1.00 0.00 N ATOM 733 CA ASP A 49 4.445 3.794 -13.103 1.00 0.00 C ATOM 734 C ASP A 49 2.958 4.164 -13.065 1.00 0.00 C ATOM 735 O ASP A 49 2.181 3.828 -13.968 1.00 0.00 O ATOM 736 CB ASP A 49 4.973 3.617 -14.556 1.00 0.00 C ATOM 737 CG ASP A 49 4.881 4.893 -15.414 1.00 0.00 C ATOM 738 OD1 ASP A 49 5.405 5.937 -14.991 1.00 0.00 O ATOM 739 OD2 ASP A 49 4.301 4.846 -16.528 1.00 0.00 O ATOM 0 H ASP A 49 4.705 1.730 -12.929 1.00 0.00 H new ATOM 0 HA ASP A 49 5.016 4.611 -12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.013 3.291 -14.517 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.408 2.822 -15.043 1.00 0.00 H new ATOM 744 N SER A 50 2.577 4.795 -11.950 1.00 0.00 N ATOM 745 CA SER A 50 1.217 5.239 -11.693 1.00 0.00 C ATOM 746 C SER A 50 1.253 6.281 -10.574 1.00 0.00 C ATOM 747 O SER A 50 1.645 5.967 -9.436 1.00 0.00 O ATOM 748 CB SER A 50 0.294 4.048 -11.308 1.00 0.00 C ATOM 749 OG SER A 50 -1.042 4.481 -11.090 1.00 0.00 O ATOM 0 H SER A 50 3.223 5.012 -11.191 1.00 0.00 H new ATOM 0 HA SER A 50 0.804 5.680 -12.600 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.312 3.300 -12.101 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.674 3.567 -10.407 1.00 0.00 H new ATOM 0 HG SER A 50 -1.600 3.712 -10.851 1.00 0.00 H new ATOM 755 N ARG A 51 0.899 7.534 -10.919 1.00 0.00 N ATOM 756 CA ARG A 51 0.748 8.615 -9.941 1.00 0.00 C ATOM 757 C ARG A 51 -0.471 8.325 -9.055 1.00 0.00 C ATOM 758 O ARG A 51 -1.616 8.353 -9.521 1.00 0.00 O ATOM 759 CB ARG A 51 0.618 9.996 -10.645 1.00 0.00 C ATOM 760 CG ARG A 51 1.911 10.459 -11.348 1.00 0.00 C ATOM 761 CD ARG A 51 1.787 11.846 -12.005 1.00 0.00 C ATOM 762 NE ARG A 51 1.335 12.872 -11.048 1.00 0.00 N ATOM 763 CZ ARG A 51 2.093 13.836 -10.511 1.00 0.00 C ATOM 764 NH1 ARG A 51 3.380 13.953 -10.822 1.00 0.00 N ATOM 765 NH2 ARG A 51 1.550 14.679 -9.652 1.00 0.00 N ATOM 0 H ARG A 51 0.712 7.819 -11.880 1.00 0.00 H new ATOM 0 HA ARG A 51 1.640 8.660 -9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.186 9.945 -11.379 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.329 10.744 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.723 10.481 -10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.184 9.728 -12.109 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.751 12.138 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.085 11.792 -12.837 1.00 0.00 H new ATOM 0 HE ARG A 51 0.354 12.845 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.807 13.301 -11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.941 14.694 -10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.564 14.591 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.116 15.418 -9.235 1.00 0.00 H new ATOM 779 N MET A 52 -0.185 7.975 -7.799 1.00 0.00 N ATOM 780 CA MET A 52 -1.171 7.650 -6.769 1.00 0.00 C ATOM 781 C MET A 52 -1.882 8.934 -6.276 1.00 0.00 C ATOM 782 O MET A 52 -1.549 9.507 -5.229 1.00 0.00 O ATOM 783 CB MET A 52 -0.435 6.901 -5.617 1.00 0.00 C ATOM 784 CG MET A 52 -1.329 6.397 -4.483 1.00 0.00 C ATOM 785 SD MET A 52 -0.391 5.561 -3.187 1.00 0.00 S ATOM 786 CE MET A 52 0.345 4.209 -4.106 1.00 0.00 C ATOM 0 H MET A 52 0.775 7.908 -7.460 1.00 0.00 H new ATOM 0 HA MET A 52 -1.951 7.002 -7.170 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.097 6.050 -6.042 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.316 7.568 -5.195 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.871 7.238 -4.050 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.074 5.712 -4.888 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.077 3.264 -3.763 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.137 4.335 -5.168 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.423 4.204 -3.946 1.00 0.00 H new ATOM 796 N GLU A 53 -2.816 9.426 -7.107 1.00 0.00 N ATOM 797 CA GLU A 53 -3.642 10.616 -6.810 1.00 0.00 C ATOM 798 C GLU A 53 -5.136 10.251 -6.898 1.00 0.00 C ATOM 799 O GLU A 53 -6.011 11.127 -6.945 1.00 0.00 O ATOM 800 CB GLU A 53 -3.285 11.749 -7.807 1.00 0.00 C ATOM 801 CG GLU A 53 -1.783 12.110 -7.861 1.00 0.00 C ATOM 802 CD GLU A 53 -1.484 13.238 -8.851 1.00 0.00 C ATOM 803 OE1 GLU A 53 -1.536 12.988 -10.074 1.00 0.00 O ATOM 804 OE2 GLU A 53 -1.202 14.376 -8.425 1.00 0.00 O ATOM 0 H GLU A 53 -3.023 9.007 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.439 10.966 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.610 11.453 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.850 12.642 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.448 12.406 -6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.210 11.225 -8.140 1.00 0.00 H new ATOM 811 N ASP A 54 -5.403 8.931 -6.872 1.00 0.00 N ATOM 812 CA ASP A 54 -6.745 8.349 -7.041 1.00 0.00 C ATOM 813 C ASP A 54 -6.782 6.941 -6.416 1.00 0.00 C ATOM 814 O ASP A 54 -7.711 6.598 -5.675 1.00 0.00 O ATOM 815 CB ASP A 54 -7.104 8.295 -8.559 1.00 0.00 C ATOM 816 CG ASP A 54 -8.460 7.628 -8.863 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.500 8.295 -8.707 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.487 6.437 -9.247 1.00 0.00 O ATOM 0 H ASP A 54 -4.678 8.228 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.483 8.970 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.114 9.310 -8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.319 7.754 -9.088 1.00 0.00 H new ATOM 823 N LEU A 55 -5.722 6.159 -6.702 1.00 0.00 N ATOM 824 CA LEU A 55 -5.649 4.718 -6.375 1.00 0.00 C ATOM 825 C LEU A 55 -5.537 4.450 -4.857 1.00 0.00 C ATOM 826 O LEU A 55 -5.999 3.408 -4.376 1.00 0.00 O ATOM 827 CB LEU A 55 -4.471 4.032 -7.131 1.00 0.00 C ATOM 828 CG LEU A 55 -4.508 4.129 -8.709 1.00 0.00 C ATOM 829 CD1 LEU A 55 -3.882 5.446 -9.234 1.00 0.00 C ATOM 830 CD2 LEU A 55 -3.861 2.896 -9.374 1.00 0.00 C ATOM 0 H LEU A 55 -4.886 6.510 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.591 4.282 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.537 4.472 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.451 2.978 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.560 4.142 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.932 5.464 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.433 6.296 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.841 5.505 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.907 3.001 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.820 2.818 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.399 1.997 -9.074 1.00 0.00 H new ATOM 842 N ALA A 56 -4.913 5.388 -4.121 1.00 0.00 N ATOM 843 CA ALA A 56 -4.736 5.284 -2.656 1.00 0.00 C ATOM 844 C ALA A 56 -4.585 6.681 -2.035 1.00 0.00 C ATOM 845 O ALA A 56 -3.813 6.881 -1.091 1.00 0.00 O ATOM 846 CB ALA A 56 -3.543 4.357 -2.320 1.00 0.00 C ATOM 0 H ALA A 56 -4.517 6.238 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.626 4.832 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.427 4.291 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.729 3.363 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.632 4.763 -2.759 1.00 0.00 H new ATOM 852 N PHE A 57 -5.379 7.635 -2.559 1.00 0.00 N ATOM 853 CA PHE A 57 -5.329 9.054 -2.142 1.00 0.00 C ATOM 854 C PHE A 57 -6.561 9.419 -1.285 1.00 0.00 C ATOM 855 O PHE A 57 -6.478 10.292 -0.411 1.00 0.00 O ATOM 856 CB PHE A 57 -5.240 9.951 -3.406 1.00 0.00 C ATOM 857 CG PHE A 57 -5.049 11.447 -3.131 1.00 0.00 C ATOM 858 CD1 PHE A 57 -3.795 11.944 -2.779 1.00 0.00 C ATOM 859 CD2 PHE A 57 -6.115 12.346 -3.217 1.00 0.00 C ATOM 860 CE1 PHE A 57 -3.612 13.290 -2.526 1.00 0.00 C ATOM 861 CE2 PHE A 57 -5.930 13.690 -2.967 1.00 0.00 C ATOM 862 CZ PHE A 57 -4.680 14.161 -2.616 1.00 0.00 C ATOM 0 H PHE A 57 -6.073 7.446 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.446 9.219 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.411 9.602 -4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.150 9.818 -3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.956 11.268 -2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.097 11.984 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.634 13.661 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.762 14.374 -3.046 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.538 15.212 -2.412 1.00 0.00 H new ATOM 872 N ASP A 58 -7.700 8.752 -1.561 1.00 0.00 N ATOM 873 CA ASP A 58 -8.951 8.922 -0.789 1.00 0.00 C ATOM 874 C ASP A 58 -8.744 8.512 0.684 1.00 0.00 C ATOM 875 O ASP A 58 -8.077 7.521 0.946 1.00 0.00 O ATOM 876 CB ASP A 58 -10.082 8.088 -1.448 1.00 0.00 C ATOM 877 CG ASP A 58 -11.414 8.095 -0.667 1.00 0.00 C ATOM 878 OD1 ASP A 58 -12.224 9.023 -0.862 1.00 0.00 O ATOM 879 OD2 ASP A 58 -11.641 7.181 0.161 1.00 0.00 O ATOM 0 H ASP A 58 -7.780 8.080 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.238 9.973 -0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.261 8.471 -2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.743 7.058 -1.555 1.00 0.00 H new ATOM 884 N SER A 59 -9.353 9.274 1.613 1.00 0.00 N ATOM 885 CA SER A 59 -9.164 9.116 3.071 1.00 0.00 C ATOM 886 C SER A 59 -9.436 7.683 3.574 1.00 0.00 C ATOM 887 O SER A 59 -8.662 7.137 4.381 1.00 0.00 O ATOM 888 CB SER A 59 -10.079 10.109 3.802 1.00 0.00 C ATOM 889 OG SER A 59 -9.802 11.433 3.393 1.00 0.00 O ATOM 0 H SER A 59 -9.998 10.026 1.371 1.00 0.00 H new ATOM 0 HA SER A 59 -8.115 9.320 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.122 9.870 3.597 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.937 10.018 4.879 1.00 0.00 H new ATOM 0 HG SER A 59 -10.395 12.053 3.867 1.00 0.00 H new ATOM 895 N LEU A 60 -10.531 7.083 3.070 1.00 0.00 N ATOM 896 CA LEU A 60 -10.944 5.719 3.444 1.00 0.00 C ATOM 897 C LEU A 60 -9.918 4.712 2.885 1.00 0.00 C ATOM 898 O LEU A 60 -9.561 3.757 3.566 1.00 0.00 O ATOM 899 CB LEU A 60 -12.399 5.437 2.925 1.00 0.00 C ATOM 900 CG LEU A 60 -13.269 4.384 3.717 1.00 0.00 C ATOM 901 CD1 LEU A 60 -14.692 4.292 3.125 1.00 0.00 C ATOM 902 CD2 LEU A 60 -12.622 2.983 3.776 1.00 0.00 C ATOM 0 H LEU A 60 -11.152 7.529 2.395 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.966 5.612 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.941 6.382 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.327 5.102 1.890 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.328 4.747 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.273 3.561 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.176 5.266 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.633 3.984 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.270 2.306 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.485 2.602 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.654 3.050 4.272 1.00 0.00 H new ATOM 914 N VAL A 61 -9.424 4.968 1.656 1.00 0.00 N ATOM 915 CA VAL A 61 -8.448 4.086 0.981 1.00 0.00 C ATOM 916 C VAL A 61 -7.068 4.138 1.680 1.00 0.00 C ATOM 917 O VAL A 61 -6.360 3.133 1.718 1.00 0.00 O ATOM 918 CB VAL A 61 -8.299 4.427 -0.552 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.384 3.406 -1.261 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.680 4.477 -1.247 1.00 0.00 C ATOM 0 H VAL A 61 -9.688 5.786 1.106 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.839 3.071 1.057 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.839 5.413 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.299 3.665 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.395 3.423 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.811 2.407 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.548 4.714 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.171 3.508 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.296 5.244 -0.777 1.00 0.00 H new ATOM 930 N VAL A 62 -6.710 5.313 2.240 1.00 0.00 N ATOM 931 CA VAL A 62 -5.459 5.495 3.025 1.00 0.00 C ATOM 932 C VAL A 62 -5.538 4.679 4.331 1.00 0.00 C ATOM 933 O VAL A 62 -4.560 4.044 4.733 1.00 0.00 O ATOM 934 CB VAL A 62 -5.185 7.024 3.350 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.958 7.223 4.284 1.00 0.00 C ATOM 936 CG2 VAL A 62 -5.013 7.848 2.048 1.00 0.00 C ATOM 0 H VAL A 62 -7.272 6.161 2.165 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.628 5.134 2.419 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.061 7.390 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.815 8.287 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.131 6.705 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.067 6.817 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.826 8.892 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.171 7.456 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.921 7.776 1.449 1.00 0.00 H new ATOM 946 N SER A 63 -6.729 4.689 4.962 1.00 0.00 N ATOM 947 CA SER A 63 -6.996 3.905 6.179 1.00 0.00 C ATOM 948 C SER A 63 -6.916 2.396 5.864 1.00 0.00 C ATOM 949 O SER A 63 -6.228 1.652 6.560 1.00 0.00 O ATOM 950 CB SER A 63 -8.383 4.272 6.751 1.00 0.00 C ATOM 951 OG SER A 63 -8.490 5.668 7.007 1.00 0.00 O ATOM 0 H SER A 63 -7.527 5.238 4.643 1.00 0.00 H new ATOM 0 HA SER A 63 -6.241 4.141 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.159 3.970 6.048 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.555 3.718 7.674 1.00 0.00 H new ATOM 0 HG SER A 63 -8.545 6.153 6.157 1.00 0.00 H new ATOM 957 N GLU A 64 -7.591 1.992 4.764 1.00 0.00 N ATOM 958 CA GLU A 64 -7.637 0.598 4.268 1.00 0.00 C ATOM 959 C GLU A 64 -6.216 0.083 3.976 1.00 0.00 C ATOM 960 O GLU A 64 -5.877 -1.059 4.311 1.00 0.00 O ATOM 961 CB GLU A 64 -8.509 0.529 2.971 1.00 0.00 C ATOM 962 CG GLU A 64 -8.606 -0.864 2.288 1.00 0.00 C ATOM 963 CD GLU A 64 -9.458 -1.892 3.067 1.00 0.00 C ATOM 964 OE1 GLU A 64 -9.009 -2.396 4.115 1.00 0.00 O ATOM 965 OE2 GLU A 64 -10.583 -2.214 2.624 1.00 0.00 O ATOM 0 H GLU A 64 -8.129 2.638 4.186 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.083 -0.034 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.517 0.862 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.106 1.239 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.029 -0.739 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.600 -1.265 2.160 1.00 0.00 H new ATOM 972 N LEU A 65 -5.400 0.971 3.377 1.00 0.00 N ATOM 973 CA LEU A 65 -4.010 0.685 2.999 1.00 0.00 C ATOM 974 C LEU A 65 -3.157 0.425 4.256 1.00 0.00 C ATOM 975 O LEU A 65 -2.507 -0.605 4.341 1.00 0.00 O ATOM 976 CB LEU A 65 -3.438 1.860 2.148 1.00 0.00 C ATOM 977 CG LEU A 65 -1.988 1.694 1.572 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.850 0.417 0.705 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.573 2.956 0.771 1.00 0.00 C ATOM 0 H LEU A 65 -5.695 1.918 3.141 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.980 -0.217 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.115 2.031 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.456 2.761 2.762 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.310 1.580 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.830 0.342 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.078 -0.460 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.545 0.470 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.565 2.823 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.267 3.106 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.595 3.827 1.426 1.00 0.00 H new ATOM 991 N SER A 66 -3.230 1.348 5.242 1.00 0.00 N ATOM 992 CA SER A 66 -2.499 1.245 6.535 1.00 0.00 C ATOM 993 C SER A 66 -2.809 -0.077 7.270 1.00 0.00 C ATOM 994 O SER A 66 -1.893 -0.769 7.721 1.00 0.00 O ATOM 995 CB SER A 66 -2.865 2.435 7.452 1.00 0.00 C ATOM 996 OG SER A 66 -2.550 3.673 6.848 1.00 0.00 O ATOM 0 H SER A 66 -3.799 2.191 5.167 1.00 0.00 H new ATOM 0 HA SER A 66 -1.434 1.265 6.305 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.930 2.403 7.683 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.330 2.344 8.398 1.00 0.00 H new ATOM 0 HG SER A 66 -3.197 3.864 6.137 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.114 -0.408 7.360 1.00 0.00 N ATOM 1003 CA LEU A 67 -4.602 -1.615 8.059 1.00 0.00 C ATOM 1004 C LEU A 67 -4.149 -2.898 7.340 1.00 0.00 C ATOM 1005 O LEU A 67 -3.852 -3.907 7.990 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.150 -1.585 8.156 1.00 0.00 C ATOM 1007 CG LEU A 67 -6.774 -0.369 8.908 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -8.320 -0.411 8.853 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -6.254 -0.269 10.366 1.00 0.00 C ATOM 0 H LEU A 67 -4.859 0.155 6.950 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.175 -1.618 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.556 -1.606 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.479 -2.499 8.651 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.452 0.536 8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.727 0.449 9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.648 -0.383 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.676 -1.329 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.711 0.590 10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.514 -1.178 10.908 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.171 -0.149 10.358 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.099 -2.835 5.993 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.735 -3.986 5.149 1.00 0.00 C ATOM 1023 C LYS A 68 -2.223 -4.267 5.244 1.00 0.00 C ATOM 1024 O LYS A 68 -1.806 -5.422 5.311 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.147 -3.740 3.664 1.00 0.00 C ATOM 1026 CG LYS A 68 -4.445 -5.033 2.854 1.00 0.00 C ATOM 1027 CD LYS A 68 -5.789 -5.690 3.256 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.004 -4.792 2.932 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.277 -5.331 3.491 1.00 0.00 N ATOM 0 H LYS A 68 -4.309 -1.988 5.465 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.277 -4.858 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.032 -3.104 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.349 -3.190 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.465 -4.795 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.636 -5.747 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.895 -6.642 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.778 -5.910 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.830 -3.793 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.099 -4.691 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.865 -4.545 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.790 -5.848 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.065 -5.976 4.279 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.418 -3.184 5.249 1.00 0.00 N ATOM 1044 CA LEU A 69 0.055 -3.258 5.398 1.00 0.00 C ATOM 1045 C LEU A 69 0.421 -3.782 6.794 1.00 0.00 C ATOM 1046 O LEU A 69 1.391 -4.517 6.960 1.00 0.00 O ATOM 1047 CB LEU A 69 0.712 -1.861 5.164 1.00 0.00 C ATOM 1048 CG LEU A 69 0.467 -1.207 3.760 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.072 0.217 3.688 1.00 0.00 C ATOM 1050 CD2 LEU A 69 0.976 -2.103 2.603 1.00 0.00 C ATOM 0 H LEU A 69 -1.769 -2.231 5.150 1.00 0.00 H new ATOM 0 HA LEU A 69 0.437 -3.947 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.345 -1.177 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.787 -1.959 5.313 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.612 -1.113 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.885 0.642 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.611 0.847 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.147 0.165 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.785 -1.610 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.047 -2.271 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.454 -3.060 2.627 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.387 -3.370 7.779 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.260 -3.776 9.187 1.00 0.00 C ATOM 1064 C ARG A 70 -0.456 -5.294 9.342 1.00 0.00 C ATOM 1065 O ARG A 70 0.375 -5.990 9.937 1.00 0.00 O ATOM 1066 CB ARG A 70 -1.323 -3.006 10.018 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.250 -3.207 11.543 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.552 -2.807 12.252 1.00 0.00 C ATOM 1069 NE ARG A 70 -3.674 -3.684 11.844 1.00 0.00 N ATOM 1070 CZ ARG A 70 -4.340 -4.519 12.660 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -4.078 -4.547 13.956 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -5.285 -5.307 12.173 1.00 0.00 N ATOM 0 H ARG A 70 -1.165 -2.731 7.617 1.00 0.00 H new ATOM 0 HA ARG A 70 0.741 -3.536 9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.223 -1.942 9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.313 -3.308 9.677 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.029 -4.253 11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.426 -2.618 11.945 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.414 -2.866 13.332 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.793 -1.770 12.018 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.964 -3.652 10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.364 -3.931 14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.590 -5.185 14.566 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.508 -5.281 11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.790 -5.941 12.793 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.564 -5.779 8.765 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.011 -7.179 8.875 1.00 0.00 C ATOM 1088 C LYS A 71 -1.067 -8.110 8.087 1.00 0.00 C ATOM 1089 O LYS A 71 -0.597 -9.126 8.607 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.491 -7.269 8.353 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.241 -8.621 8.565 1.00 0.00 C ATOM 1092 CD LYS A 71 -3.892 -9.734 7.542 1.00 0.00 C ATOM 1093 CE LYS A 71 -4.215 -9.353 6.085 1.00 0.00 C ATOM 1094 NZ LYS A 71 -3.896 -10.468 5.148 1.00 0.00 N ATOM 0 H LYS A 71 -2.187 -5.202 8.199 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.981 -7.506 9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.069 -6.482 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.487 -7.049 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.020 -8.988 9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.314 -8.434 8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.831 -9.969 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.439 -10.640 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.271 -9.095 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.647 -8.466 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.638 -10.534 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.980 -10.286 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.848 -11.362 5.676 1.00 0.00 H new ATOM 1108 N GLU A 72 -0.796 -7.732 6.827 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.128 -8.602 5.840 1.00 0.00 C ATOM 1110 C GLU A 72 1.406 -8.471 5.917 1.00 0.00 C ATOM 1111 O GLU A 72 2.118 -9.464 6.077 1.00 0.00 O ATOM 1112 CB GLU A 72 -0.652 -8.236 4.414 1.00 0.00 C ATOM 1113 CG GLU A 72 -0.126 -9.108 3.252 1.00 0.00 C ATOM 1114 CD GLU A 72 -0.471 -10.600 3.399 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -1.672 -10.937 3.419 1.00 0.00 O ATOM 1116 OE2 GLU A 72 0.452 -11.429 3.519 1.00 0.00 O ATOM 0 H GLU A 72 -1.035 -6.810 6.461 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.365 -9.643 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.740 -8.296 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.392 -7.198 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.541 -8.738 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.957 -8.998 3.187 1.00 0.00 H new ATOM 1123 N PHE A 73 1.903 -7.231 5.825 1.00 0.00 N ATOM 1124 CA PHE A 73 3.356 -6.941 5.693 1.00 0.00 C ATOM 1125 C PHE A 73 4.017 -6.658 7.053 1.00 0.00 C ATOM 1126 O PHE A 73 5.245 -6.644 7.154 1.00 0.00 O ATOM 1127 CB PHE A 73 3.563 -5.749 4.726 1.00 0.00 C ATOM 1128 CG PHE A 73 3.026 -6.021 3.314 1.00 0.00 C ATOM 1129 CD1 PHE A 73 3.822 -6.640 2.352 1.00 0.00 C ATOM 1130 CD2 PHE A 73 1.716 -5.684 2.962 1.00 0.00 C ATOM 1131 CE1 PHE A 73 3.332 -6.900 1.089 1.00 0.00 C ATOM 1132 CE2 PHE A 73 1.231 -5.945 1.694 1.00 0.00 C ATOM 1133 CZ PHE A 73 2.038 -6.556 0.761 1.00 0.00 C ATOM 0 H PHE A 73 1.319 -6.395 5.839 1.00 0.00 H new ATOM 0 HA PHE A 73 3.840 -7.829 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.068 -4.868 5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.626 -5.518 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.836 -6.920 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.073 -5.213 3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.965 -7.375 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.219 -5.670 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.657 -6.766 -0.228 1.00 0.00 H new ATOM 1143 N GLY A 74 3.193 -6.430 8.097 1.00 0.00 N ATOM 1144 CA GLY A 74 3.692 -6.128 9.449 1.00 0.00 C ATOM 1145 C GLY A 74 4.071 -4.660 9.634 1.00 0.00 C ATOM 1146 O GLY A 74 4.600 -4.275 10.686 1.00 0.00 O ATOM 0 H GLY A 74 2.176 -6.450 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.928 -6.395 10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.562 -6.751 9.656 1.00 0.00 H new ATOM 1150 N VAL A 75 3.800 -3.851 8.595 1.00 0.00 N ATOM 1151 CA VAL A 75 4.105 -2.418 8.570 1.00 0.00 C ATOM 1152 C VAL A 75 2.998 -1.644 9.307 1.00 0.00 C ATOM 1153 O VAL A 75 1.867 -1.557 8.821 1.00 0.00 O ATOM 1154 CB VAL A 75 4.261 -1.918 7.081 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.440 -0.384 6.992 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.435 -2.660 6.392 1.00 0.00 C ATOM 0 H VAL A 75 3.356 -4.183 7.739 1.00 0.00 H new ATOM 0 HA VAL A 75 5.051 -2.237 9.081 1.00 0.00 H new ATOM 0 HB VAL A 75 3.336 -2.152 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.543 -0.090 5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.569 0.110 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.334 -0.089 7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.535 -2.308 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.359 -2.462 6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.237 -3.732 6.391 1.00 0.00 H new ATOM 1166 N THR A 76 3.353 -1.076 10.471 1.00 0.00 N ATOM 1167 CA THR A 76 2.416 -0.364 11.365 1.00 0.00 C ATOM 1168 C THR A 76 1.798 0.884 10.693 1.00 0.00 C ATOM 1169 O THR A 76 2.192 1.243 9.580 1.00 0.00 O ATOM 1170 CB THR A 76 3.148 0.034 12.692 1.00 0.00 C ATOM 1171 OG1 THR A 76 4.372 0.740 12.387 1.00 0.00 O ATOM 1172 CG2 THR A 76 3.472 -1.197 13.564 1.00 0.00 C ATOM 0 H THR A 76 4.309 -1.097 10.825 1.00 0.00 H new ATOM 0 HA THR A 76 1.594 -1.043 11.591 1.00 0.00 H new ATOM 0 HB THR A 76 2.474 0.679 13.256 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.824 0.987 13.221 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.979 -0.875 14.474 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.547 -1.711 13.826 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.119 -1.876 13.009 1.00 0.00 H new ATOM 1180 N GLY A 77 0.796 1.491 11.379 1.00 0.00 N ATOM 1181 CA GLY A 77 0.050 2.659 10.878 1.00 0.00 C ATOM 1182 C GLY A 77 0.957 3.799 10.396 1.00 0.00 C ATOM 1183 O GLY A 77 1.401 4.641 11.188 1.00 0.00 O ATOM 0 H GLY A 77 0.487 1.177 12.299 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.594 2.345 10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.601 3.032 11.669 1.00 0.00 H new ATOM 1187 N VAL A 78 1.257 3.776 9.087 1.00 0.00 N ATOM 1188 CA VAL A 78 2.137 4.754 8.416 1.00 0.00 C ATOM 1189 C VAL A 78 1.307 5.755 7.590 1.00 0.00 C ATOM 1190 O VAL A 78 1.757 6.219 6.549 1.00 0.00 O ATOM 1191 CB VAL A 78 3.226 4.023 7.515 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.316 3.350 8.383 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.565 3.006 6.545 1.00 0.00 C ATOM 0 H VAL A 78 0.890 3.067 8.453 1.00 0.00 H new ATOM 0 HA VAL A 78 2.671 5.313 9.184 1.00 0.00 H new ATOM 0 HB VAL A 78 3.716 4.784 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.044 2.860 7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.818 4.106 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.855 2.610 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.335 2.523 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.028 2.252 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.867 3.528 5.890 1.00 0.00 H new ATOM 1203 N ASP A 79 0.135 6.144 8.128 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.839 7.051 7.459 1.00 0.00 C ATOM 1205 C ASP A 79 -0.185 8.378 6.997 1.00 0.00 C ATOM 1206 O ASP A 79 -0.457 8.864 5.888 1.00 0.00 O ATOM 1207 CB ASP A 79 -2.025 7.361 8.409 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.794 6.109 8.873 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -2.284 5.374 9.752 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.914 5.854 8.365 1.00 0.00 O ATOM 0 H ASP A 79 -0.173 5.838 9.051 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.201 6.531 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.648 7.890 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.717 8.034 7.903 1.00 0.00 H new ATOM 1215 N ASP A 80 0.691 8.932 7.866 1.00 0.00 N ATOM 1216 CA ASP A 80 1.469 10.166 7.581 1.00 0.00 C ATOM 1217 C ASP A 80 2.416 9.946 6.387 1.00 0.00 C ATOM 1218 O ASP A 80 2.494 10.777 5.475 1.00 0.00 O ATOM 1219 CB ASP A 80 2.267 10.604 8.846 1.00 0.00 C ATOM 1220 CG ASP A 80 3.118 11.876 8.648 1.00 0.00 C ATOM 1221 OD1 ASP A 80 2.583 12.992 8.812 1.00 0.00 O ATOM 1222 OD2 ASP A 80 4.328 11.769 8.344 1.00 0.00 O ATOM 0 H ASP A 80 0.881 8.537 8.787 1.00 0.00 H new ATOM 0 HA ASP A 80 0.774 10.963 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.566 10.773 9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.921 9.787 9.150 1.00 0.00 H new ATOM 1227 N GLU A 81 3.097 8.792 6.401 1.00 0.00 N ATOM 1228 CA GLU A 81 4.020 8.377 5.331 1.00 0.00 C ATOM 1229 C GLU A 81 3.263 8.150 4.007 1.00 0.00 C ATOM 1230 O GLU A 81 3.811 8.408 2.939 1.00 0.00 O ATOM 1231 CB GLU A 81 4.764 7.080 5.751 1.00 0.00 C ATOM 1232 CG GLU A 81 5.617 7.200 7.028 1.00 0.00 C ATOM 1233 CD GLU A 81 6.841 8.112 6.842 1.00 0.00 C ATOM 1234 OE1 GLU A 81 7.836 7.658 6.238 1.00 0.00 O ATOM 1235 OE2 GLU A 81 6.829 9.267 7.313 1.00 0.00 O ATOM 0 H GLU A 81 3.024 8.114 7.160 1.00 0.00 H new ATOM 0 HA GLU A 81 4.747 9.174 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.028 6.289 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.409 6.768 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.999 7.589 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.951 6.208 7.331 1.00 0.00 H new ATOM 1242 N LEU A 82 1.992 7.701 4.107 1.00 0.00 N ATOM 1243 CA LEU A 82 1.160 7.366 2.936 1.00 0.00 C ATOM 1244 C LEU A 82 0.723 8.623 2.171 1.00 0.00 C ATOM 1245 O LEU A 82 0.651 8.599 0.937 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.082 6.531 3.337 1.00 0.00 C ATOM 1247 CG LEU A 82 0.201 5.130 3.967 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -1.106 4.367 4.247 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.174 4.291 3.104 1.00 0.00 C ATOM 0 H LEU A 82 1.518 7.562 4.999 1.00 0.00 H new ATOM 0 HA LEU A 82 1.782 6.762 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.671 7.113 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.700 6.389 2.450 1.00 0.00 H new ATOM 0 HG LEU A 82 0.694 5.303 4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.874 3.396 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.721 4.941 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.650 4.223 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.342 3.325 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.743 4.138 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.123 4.819 3.009 1.00 0.00 H new ATOM 1261 N ASP A 83 0.431 9.726 2.902 1.00 0.00 N ATOM 1262 CA ASP A 83 0.088 11.015 2.253 1.00 0.00 C ATOM 1263 C ASP A 83 1.353 11.697 1.696 1.00 0.00 C ATOM 1264 O ASP A 83 1.262 12.522 0.786 1.00 0.00 O ATOM 1265 CB ASP A 83 -0.730 11.971 3.183 1.00 0.00 C ATOM 1266 CG ASP A 83 0.067 12.659 4.313 1.00 0.00 C ATOM 1267 OD1 ASP A 83 0.798 13.640 4.035 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.068 12.256 5.484 1.00 0.00 O ATOM 0 H ASP A 83 0.426 9.751 3.922 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.572 10.785 1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.187 12.744 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.542 11.401 3.633 1.00 0.00 H new ATOM 1273 N LEU A 84 2.528 11.342 2.262 1.00 0.00 N ATOM 1274 CA LEU A 84 3.845 11.763 1.733 1.00 0.00 C ATOM 1275 C LEU A 84 4.159 11.098 0.372 1.00 0.00 C ATOM 1276 O LEU A 84 5.026 11.577 -0.366 1.00 0.00 O ATOM 1277 CB LEU A 84 4.971 11.453 2.754 1.00 0.00 C ATOM 1278 CG LEU A 84 4.979 12.322 4.053 1.00 0.00 C ATOM 1279 CD1 LEU A 84 6.012 11.804 5.078 1.00 0.00 C ATOM 1280 CD2 LEU A 84 5.217 13.815 3.720 1.00 0.00 C ATOM 0 H LEU A 84 2.590 10.758 3.096 1.00 0.00 H new ATOM 0 HA LEU A 84 3.799 12.840 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.893 10.405 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.931 11.575 2.253 1.00 0.00 H new ATOM 0 HG LEU A 84 3.995 12.234 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.989 12.433 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.769 10.778 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.009 11.835 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.218 14.398 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.178 13.927 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.422 14.173 3.065 1.00 0.00 H new ATOM 1292 N LEU A 85 3.470 9.990 0.059 1.00 0.00 N ATOM 1293 CA LEU A 85 3.623 9.285 -1.233 1.00 0.00 C ATOM 1294 C LEU A 85 2.762 9.966 -2.313 1.00 0.00 C ATOM 1295 O LEU A 85 1.720 10.558 -2.005 1.00 0.00 O ATOM 1296 CB LEU A 85 3.204 7.799 -1.100 1.00 0.00 C ATOM 1297 CG LEU A 85 3.806 7.025 0.110 1.00 0.00 C ATOM 1298 CD1 LEU A 85 3.213 5.615 0.215 1.00 0.00 C ATOM 1299 CD2 LEU A 85 5.351 6.986 0.088 1.00 0.00 C ATOM 0 H LEU A 85 2.794 9.556 0.687 1.00 0.00 H new ATOM 0 HA LEU A 85 4.673 9.330 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.117 7.754 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.487 7.279 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 85 3.526 7.580 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.652 5.098 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.133 5.683 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.432 5.059 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.713 6.434 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.690 6.493 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.741 8.003 0.117 1.00 0.00 H new ATOM 1311 N GLU A 86 3.217 9.875 -3.568 1.00 0.00 N ATOM 1312 CA GLU A 86 2.488 10.371 -4.747 1.00 0.00 C ATOM 1313 C GLU A 86 2.562 9.323 -5.881 1.00 0.00 C ATOM 1314 O GLU A 86 1.929 9.481 -6.919 1.00 0.00 O ATOM 1315 CB GLU A 86 3.104 11.727 -5.204 1.00 0.00 C ATOM 1316 CG GLU A 86 2.354 12.438 -6.357 1.00 0.00 C ATOM 1317 CD GLU A 86 3.129 13.626 -6.925 1.00 0.00 C ATOM 1318 OE1 GLU A 86 4.166 13.396 -7.593 1.00 0.00 O ATOM 1319 OE2 GLU A 86 2.733 14.792 -6.701 1.00 0.00 O ATOM 0 H GLU A 86 4.115 9.449 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 86 1.440 10.532 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.139 12.399 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.134 11.553 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.161 11.721 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.385 12.782 -5.996 1.00 0.00 H new ATOM 1326 N THR A 87 3.348 8.242 -5.673 1.00 0.00 N ATOM 1327 CA THR A 87 3.605 7.227 -6.706 1.00 0.00 C ATOM 1328 C THR A 87 3.641 5.821 -6.076 1.00 0.00 C ATOM 1329 O THR A 87 3.950 5.665 -4.879 1.00 0.00 O ATOM 1330 CB THR A 87 4.963 7.518 -7.449 1.00 0.00 C ATOM 1331 OG1 THR A 87 5.100 8.931 -7.679 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.058 6.794 -8.802 1.00 0.00 C ATOM 0 H THR A 87 3.817 8.054 -4.787 1.00 0.00 H new ATOM 0 HA THR A 87 2.795 7.270 -7.434 1.00 0.00 H new ATOM 0 HB THR A 87 5.761 7.148 -6.806 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.375 9.372 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.013 7.028 -9.273 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.985 5.718 -8.645 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.244 7.122 -9.448 1.00 0.00 H new ATOM 1340 N VAL A 88 3.332 4.806 -6.901 1.00 0.00 N ATOM 1341 CA VAL A 88 3.285 3.395 -6.480 1.00 0.00 C ATOM 1342 C VAL A 88 4.699 2.854 -6.157 1.00 0.00 C ATOM 1343 O VAL A 88 4.845 2.014 -5.261 1.00 0.00 O ATOM 1344 CB VAL A 88 2.554 2.528 -7.575 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.578 1.016 -7.254 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.092 3.020 -7.778 1.00 0.00 C ATOM 0 H VAL A 88 3.106 4.943 -7.886 1.00 0.00 H new ATOM 0 HA VAL A 88 2.709 3.325 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 88 3.108 2.663 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.060 0.469 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.611 0.673 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.080 0.838 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.605 2.409 -8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.546 2.935 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.100 4.061 -8.100 1.00 0.00 H new ATOM 1356 N ASP A 89 5.734 3.368 -6.872 1.00 0.00 N ATOM 1357 CA ASP A 89 7.164 3.100 -6.542 1.00 0.00 C ATOM 1358 C ASP A 89 7.456 3.446 -5.083 1.00 0.00 C ATOM 1359 O ASP A 89 8.030 2.638 -4.343 1.00 0.00 O ATOM 1360 CB ASP A 89 8.123 3.937 -7.432 1.00 0.00 C ATOM 1361 CG ASP A 89 8.095 3.537 -8.903 1.00 0.00 C ATOM 1362 OD1 ASP A 89 8.847 2.614 -9.294 1.00 0.00 O ATOM 1363 OD2 ASP A 89 7.321 4.128 -9.672 1.00 0.00 O ATOM 0 H ASP A 89 5.606 3.972 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 89 7.332 2.038 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.858 4.991 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.140 3.832 -7.055 1.00 0.00 H new ATOM 1368 N GLU A 90 7.027 4.660 -4.696 1.00 0.00 N ATOM 1369 CA GLU A 90 7.263 5.211 -3.359 1.00 0.00 C ATOM 1370 C GLU A 90 6.618 4.336 -2.273 1.00 0.00 C ATOM 1371 O GLU A 90 7.192 4.166 -1.203 1.00 0.00 O ATOM 1372 CB GLU A 90 6.723 6.659 -3.284 1.00 0.00 C ATOM 1373 CG GLU A 90 7.356 7.630 -4.297 1.00 0.00 C ATOM 1374 CD GLU A 90 6.891 9.085 -4.116 1.00 0.00 C ATOM 1375 OE1 GLU A 90 7.485 9.811 -3.294 1.00 0.00 O ATOM 1376 OE2 GLU A 90 5.929 9.507 -4.789 1.00 0.00 O ATOM 0 H GLU A 90 6.504 5.286 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 90 8.338 5.222 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.645 6.640 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.890 7.044 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.441 7.588 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.112 7.301 -5.307 1.00 0.00 H new ATOM 1383 N LEU A 91 5.421 3.788 -2.568 1.00 0.00 N ATOM 1384 CA LEU A 91 4.726 2.866 -1.647 1.00 0.00 C ATOM 1385 C LEU A 91 5.480 1.531 -1.495 1.00 0.00 C ATOM 1386 O LEU A 91 5.710 1.080 -0.370 1.00 0.00 O ATOM 1387 CB LEU A 91 3.265 2.622 -2.102 1.00 0.00 C ATOM 1388 CG LEU A 91 2.410 1.666 -1.195 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.372 2.117 0.290 1.00 0.00 C ATOM 1390 CD2 LEU A 91 0.985 1.517 -1.749 1.00 0.00 C ATOM 0 H LEU A 91 4.916 3.968 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 91 4.706 3.344 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.758 3.585 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.284 2.211 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 91 2.904 0.695 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.767 1.418 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.386 2.136 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.937 3.114 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.412 0.851 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.503 2.494 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.028 1.100 -2.755 1.00 0.00 H new ATOM 1402 N PHE A 92 5.881 0.935 -2.628 1.00 0.00 N ATOM 1403 CA PHE A 92 6.547 -0.387 -2.666 1.00 0.00 C ATOM 1404 C PHE A 92 7.863 -0.389 -1.858 1.00 0.00 C ATOM 1405 O PHE A 92 8.119 -1.325 -1.088 1.00 0.00 O ATOM 1406 CB PHE A 92 6.788 -0.845 -4.142 1.00 0.00 C ATOM 1407 CG PHE A 92 5.568 -1.486 -4.842 1.00 0.00 C ATOM 1408 CD1 PHE A 92 4.252 -1.122 -4.522 1.00 0.00 C ATOM 1409 CD2 PHE A 92 5.746 -2.479 -5.812 1.00 0.00 C ATOM 1410 CE1 PHE A 92 3.174 -1.722 -5.145 1.00 0.00 C ATOM 1411 CE2 PHE A 92 4.662 -3.077 -6.432 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.379 -2.698 -6.098 1.00 0.00 C ATOM 0 H PHE A 92 5.755 1.353 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 92 5.879 -1.106 -2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.109 0.018 -4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.610 -1.561 -4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.078 -0.360 -3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.746 -2.784 -6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.168 -1.426 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.822 -3.841 -7.178 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.535 -3.165 -6.583 1.00 0.00 H new ATOM 1422 N GLN A 93 8.676 0.679 -2.019 1.00 0.00 N ATOM 1423 CA GLN A 93 9.963 0.804 -1.310 1.00 0.00 C ATOM 1424 C GLN A 93 9.759 1.210 0.162 1.00 0.00 C ATOM 1425 O GLN A 93 10.537 0.803 1.017 1.00 0.00 O ATOM 1426 CB GLN A 93 10.943 1.755 -2.077 1.00 0.00 C ATOM 1427 CG GLN A 93 10.493 3.223 -2.321 1.00 0.00 C ATOM 1428 CD GLN A 93 10.760 4.181 -1.146 1.00 0.00 C ATOM 1429 OE1 GLN A 93 9.906 4.416 -0.302 1.00 0.00 O ATOM 1430 NE2 GLN A 93 11.953 4.740 -1.095 1.00 0.00 N ATOM 0 H GLN A 93 8.461 1.464 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 93 10.437 -0.177 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.883 1.781 -1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.155 1.305 -3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.004 3.603 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.426 3.230 -2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.647 4.527 -1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.182 5.385 -0.339 1.00 0.00 H new ATOM 1439 N LEU A 94 8.689 1.988 0.450 1.00 0.00 N ATOM 1440 CA LEU A 94 8.350 2.418 1.831 1.00 0.00 C ATOM 1441 C LEU A 94 8.045 1.199 2.711 1.00 0.00 C ATOM 1442 O LEU A 94 8.605 1.042 3.799 1.00 0.00 O ATOM 1443 CB LEU A 94 7.125 3.370 1.831 1.00 0.00 C ATOM 1444 CG LEU A 94 6.682 3.920 3.231 1.00 0.00 C ATOM 1445 CD1 LEU A 94 7.686 4.963 3.785 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.243 4.480 3.188 1.00 0.00 C ATOM 0 H LEU A 94 8.042 2.333 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 94 9.211 2.951 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.349 4.218 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.281 2.844 1.386 1.00 0.00 H new ATOM 0 HG LEU A 94 6.684 3.078 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.342 5.319 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.667 4.501 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.756 5.803 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.968 4.853 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.191 5.294 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.553 3.689 2.894 1.00 0.00 H new ATOM 1458 N VAL A 95 7.149 0.352 2.196 1.00 0.00 N ATOM 1459 CA VAL A 95 6.666 -0.852 2.880 1.00 0.00 C ATOM 1460 C VAL A 95 7.797 -1.866 3.061 1.00 0.00 C ATOM 1461 O VAL A 95 7.917 -2.451 4.132 1.00 0.00 O ATOM 1462 CB VAL A 95 5.464 -1.497 2.091 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.002 -2.847 2.699 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.285 -0.505 2.014 1.00 0.00 C ATOM 0 H VAL A 95 6.731 0.486 1.275 1.00 0.00 H new ATOM 0 HA VAL A 95 6.310 -0.560 3.868 1.00 0.00 H new ATOM 0 HB VAL A 95 5.822 -1.714 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.172 -3.244 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.830 -3.556 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.679 -2.691 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.460 -0.962 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.956 -0.252 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.605 0.401 1.499 1.00 0.00 H new ATOM 1474 N GLU A 96 8.632 -2.041 2.015 1.00 0.00 N ATOM 1475 CA GLU A 96 9.748 -3.009 2.031 1.00 0.00 C ATOM 1476 C GLU A 96 10.794 -2.642 3.100 1.00 0.00 C ATOM 1477 O GLU A 96 11.241 -3.498 3.872 1.00 0.00 O ATOM 1478 CB GLU A 96 10.411 -3.088 0.636 1.00 0.00 C ATOM 1479 CG GLU A 96 11.508 -4.167 0.517 1.00 0.00 C ATOM 1480 CD GLU A 96 12.054 -4.337 -0.907 1.00 0.00 C ATOM 1481 OE1 GLU A 96 11.480 -5.127 -1.684 1.00 0.00 O ATOM 1482 OE2 GLU A 96 13.064 -3.685 -1.253 1.00 0.00 O ATOM 0 H GLU A 96 8.552 -1.519 1.142 1.00 0.00 H new ATOM 0 HA GLU A 96 9.339 -3.987 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.641 -3.285 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.845 -2.117 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.331 -3.911 1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.106 -5.121 0.859 1.00 0.00 H new ATOM 1489 N LYS A 97 11.158 -1.351 3.145 1.00 0.00 N ATOM 1490 CA LYS A 97 12.165 -0.828 4.087 1.00 0.00 C ATOM 1491 C LYS A 97 11.608 -0.747 5.521 1.00 0.00 C ATOM 1492 O LYS A 97 12.373 -0.838 6.482 1.00 0.00 O ATOM 1493 CB LYS A 97 12.683 0.550 3.606 1.00 0.00 C ATOM 1494 CG LYS A 97 13.418 0.502 2.240 1.00 0.00 C ATOM 1495 CD LYS A 97 13.876 1.897 1.740 1.00 0.00 C ATOM 1496 CE LYS A 97 14.943 2.542 2.640 1.00 0.00 C ATOM 1497 NZ LYS A 97 15.393 3.856 2.115 1.00 0.00 N ATOM 0 H LYS A 97 10.764 -0.639 2.530 1.00 0.00 H new ATOM 0 HA LYS A 97 13.004 -1.523 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.841 1.238 3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.360 0.956 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.288 -0.149 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.758 0.056 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.272 1.802 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.011 2.557 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.540 2.672 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.799 1.873 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.112 4.256 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.801 3.730 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.581 4.504 2.059 1.00 0.00 H new ATOM 1511 N HIS A 98 10.277 -0.567 5.656 1.00 0.00 N ATOM 1512 CA HIS A 98 9.597 -0.578 6.974 1.00 0.00 C ATOM 1513 C HIS A 98 9.334 -2.028 7.444 1.00 0.00 C ATOM 1514 O HIS A 98 9.100 -2.277 8.628 1.00 0.00 O ATOM 1515 CB HIS A 98 8.273 0.227 6.918 1.00 0.00 C ATOM 1516 CG HIS A 98 7.737 0.631 8.279 1.00 0.00 C ATOM 1517 ND1 HIS A 98 7.209 -0.259 9.196 1.00 0.00 N ATOM 1518 CD2 HIS A 98 7.667 1.844 8.873 1.00 0.00 C ATOM 1519 CE1 HIS A 98 6.845 0.392 10.281 1.00 0.00 C ATOM 1520 NE2 HIS A 98 7.107 1.667 10.111 1.00 0.00 N ATOM 0 H HIS A 98 9.648 -0.412 4.868 1.00 0.00 H new ATOM 0 HA HIS A 98 10.256 -0.099 7.698 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.431 1.125 6.320 1.00 0.00 H new ATOM 0 HB3 HIS A 98 7.519 -0.369 6.405 1.00 0.00 H new ATOM 0 HD1 HIS A 98 7.116 -1.265 9.054 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.993 2.782 8.449 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.405 -0.049 11.163 1.00 0.00 H new ATOM 1529 N ARG A 99 9.349 -2.973 6.494 1.00 0.00 N ATOM 1530 CA ARG A 99 9.225 -4.415 6.783 1.00 0.00 C ATOM 1531 C ARG A 99 10.601 -4.968 7.207 1.00 0.00 C ATOM 1532 O ARG A 99 10.692 -5.919 7.990 1.00 0.00 O ATOM 1533 CB ARG A 99 8.706 -5.169 5.525 1.00 0.00 C ATOM 1534 CG ARG A 99 8.323 -6.660 5.764 1.00 0.00 C ATOM 1535 CD ARG A 99 8.655 -7.569 4.558 1.00 0.00 C ATOM 1536 NE ARG A 99 10.097 -7.528 4.231 1.00 0.00 N ATOM 1537 CZ ARG A 99 11.093 -8.033 4.996 1.00 0.00 C ATOM 1538 NH1 ARG A 99 10.838 -8.673 6.130 1.00 0.00 N ATOM 1539 NH2 ARG A 99 12.347 -7.895 4.607 1.00 0.00 N ATOM 0 H ARG A 99 9.447 -2.762 5.501 1.00 0.00 H new ATOM 0 HA ARG A 99 8.511 -4.564 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.833 -4.643 5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.473 -5.126 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.849 -7.028 6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.256 -6.726 5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.360 -8.594 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.075 -7.252 3.691 1.00 0.00 H new ATOM 0 HE ARG A 99 10.364 -7.081 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.874 -8.793 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.606 -9.045 6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.560 -7.410 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.103 -8.273 5.178 1.00 0.00 H new ATOM 1553 N ALA A 100 11.664 -4.356 6.660 1.00 0.00 N ATOM 1554 CA ALA A 100 13.059 -4.680 6.998 1.00 0.00 C ATOM 1555 C ALA A 100 13.490 -3.952 8.290 1.00 0.00 C ATOM 1556 O ALA A 100 14.323 -4.454 9.047 1.00 0.00 O ATOM 1557 CB ALA A 100 13.976 -4.310 5.824 1.00 0.00 C ATOM 0 H ALA A 100 11.578 -3.615 5.964 1.00 0.00 H new ATOM 0 HA ALA A 100 13.141 -5.752 7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.008 -4.551 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.679 -4.873 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.893 -3.243 5.620 1.00 0.00 H new ATOM 1563 N ALA A 101 12.906 -2.768 8.526 1.00 0.00 N ATOM 1564 CA ALA A 101 13.163 -1.945 9.719 1.00 0.00 C ATOM 1565 C ALA A 101 11.820 -1.415 10.255 1.00 0.00 C ATOM 1566 O ALA A 101 11.333 -0.358 9.816 1.00 0.00 O ATOM 1567 CB ALA A 101 14.136 -0.795 9.388 1.00 0.00 C ATOM 0 H ALA A 101 12.232 -2.349 7.885 1.00 0.00 H new ATOM 0 HA ALA A 101 13.637 -2.550 10.491 1.00 0.00 H new ATOM 0 HB1 ALA A 101 14.313 -0.199 10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.081 -1.208 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.703 -0.164 8.612 1.00 0.00 H new