USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 LYS NZ :NH3+ 162:sc=-0.00672 (180deg=-0.194) USER MOD Set 1.2: A 97 TYR OH : rot 15:sc= -1.24 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 GLN : amide:sc= -0.387 K(o=-0.39,f=-4.1!) USER MOD Single : A 39 CYS SG : rot -161:sc= -5.89! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= -9! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 8.304 2.184 -4.851 1.00 1.00 N ATOM 352 CA GLU A 21 6.977 2.159 -4.155 1.00 1.00 C ATOM 353 C GLU A 21 6.925 0.975 -3.179 1.00 1.00 C ATOM 354 O GLU A 21 7.443 -0.093 -3.460 1.00 1.00 O ATOM 355 CB GLU A 21 5.859 2.009 -5.194 1.00 1.00 C ATOM 356 CG GLU A 21 4.905 3.204 -5.099 1.00 1.00 C ATOM 357 CD GLU A 21 3.522 2.726 -4.647 1.00 1.00 C ATOM 358 OE1 GLU A 21 3.364 2.462 -3.466 1.00 1.00 O ATOM 359 OE2 GLU A 21 2.644 2.631 -5.490 1.00 1.00 O ATOM 0 HA GLU A 21 6.843 3.089 -3.603 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.285 1.950 -6.196 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.313 1.081 -5.024 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.295 3.938 -4.394 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.831 3.700 -6.067 1.00 1.00 H new ATOM 366 N ILE A 22 6.304 1.160 -2.035 1.00 1.00 N ATOM 367 CA ILE A 22 6.210 0.058 -1.033 1.00 1.00 C ATOM 368 C ILE A 22 4.722 -0.202 -0.740 1.00 1.00 C ATOM 369 O ILE A 22 3.885 0.639 -1.032 1.00 1.00 O ATOM 370 CB ILE A 22 6.977 0.498 0.224 1.00 1.00 C ATOM 371 CG1 ILE A 22 8.329 -0.222 0.264 1.00 1.00 C ATOM 372 CG2 ILE A 22 6.185 0.175 1.487 1.00 1.00 C ATOM 373 CD1 ILE A 22 9.460 0.809 0.223 1.00 1.00 C ATOM 0 H ILE A 22 5.857 2.033 -1.755 1.00 1.00 H new ATOM 0 HA ILE A 22 6.649 -0.870 -1.398 1.00 1.00 H new ATOM 0 HB ILE A 22 7.128 1.577 0.184 1.00 1.00 H new ATOM 0 HG12 ILE A 22 8.405 -0.825 1.169 1.00 1.00 H new ATOM 0 HG13 ILE A 22 8.414 -0.905 -0.582 1.00 1.00 H new ATOM 0 HG21 ILE A 22 6.749 0.496 2.362 1.00 1.00 H new ATOM 0 HG22 ILE A 22 5.229 0.697 1.460 1.00 1.00 H new ATOM 0 HG23 ILE A 22 6.010 -0.900 1.542 1.00 1.00 H new ATOM 0 HD11 ILE A 22 10.421 0.296 0.252 1.00 1.00 H new ATOM 0 HD12 ILE A 22 9.387 1.393 -0.695 1.00 1.00 H new ATOM 0 HD13 ILE A 22 9.378 1.474 1.083 1.00 1.00 H new ATOM 385 N LEU A 23 4.362 -1.344 -0.179 1.00 1.00 N ATOM 386 CA LEU A 23 2.880 -1.573 0.086 1.00 1.00 C ATOM 387 C LEU A 23 2.692 -1.973 1.543 1.00 1.00 C ATOM 388 O LEU A 23 3.371 -2.846 2.019 1.00 1.00 O ATOM 389 CB LEU A 23 2.309 -2.621 -0.912 1.00 1.00 C ATOM 390 CG LEU A 23 2.445 -4.091 -0.449 1.00 1.00 C ATOM 391 CD1 LEU A 23 3.896 -4.430 -0.098 1.00 1.00 C ATOM 392 CD2 LEU A 23 1.527 -4.365 0.751 1.00 1.00 C ATOM 0 H LEU A 23 4.990 -2.098 0.098 1.00 1.00 H new ATOM 0 HA LEU A 23 2.316 -0.655 -0.079 1.00 1.00 H new ATOM 0 HB2 LEU A 23 1.255 -2.404 -1.083 1.00 1.00 H new ATOM 0 HB3 LEU A 23 2.818 -2.507 -1.869 1.00 1.00 H new ATOM 0 HG LEU A 23 2.140 -4.731 -1.277 1.00 1.00 H new ATOM 0 HD11 LEU A 23 3.959 -5.470 0.224 1.00 1.00 H new ATOM 0 HD12 LEU A 23 4.526 -4.283 -0.975 1.00 1.00 H new ATOM 0 HD13 LEU A 23 4.237 -3.780 0.707 1.00 1.00 H new ATOM 0 HD21 LEU A 23 1.636 -5.404 1.063 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.801 -3.708 1.576 1.00 1.00 H new ATOM 0 HD23 LEU A 23 0.491 -4.178 0.467 1.00 1.00 H new ATOM 404 N GLY A 24 1.831 -1.328 2.294 1.00 1.00 N ATOM 405 CA GLY A 24 1.723 -1.711 3.736 1.00 1.00 C ATOM 406 C GLY A 24 0.291 -1.670 4.251 1.00 1.00 C ATOM 407 O GLY A 24 -0.574 -1.022 3.696 1.00 1.00 O ATOM 0 H GLY A 24 1.216 -0.576 1.983 1.00 1.00 H new ATOM 0 HA2 GLY A 24 2.125 -2.715 3.872 1.00 1.00 H new ATOM 0 HA3 GLY A 24 2.339 -1.038 4.333 1.00 1.00 H new ATOM 411 N ILE A 25 0.063 -2.332 5.359 1.00 1.00 N ATOM 412 CA ILE A 25 -1.284 -2.319 5.989 1.00 1.00 C ATOM 413 C ILE A 25 -1.226 -1.267 7.104 1.00 1.00 C ATOM 414 O ILE A 25 -0.287 -1.233 7.891 1.00 1.00 O ATOM 415 CB ILE A 25 -1.645 -3.700 6.582 1.00 1.00 C ATOM 416 CG1 ILE A 25 -0.788 -4.809 5.947 1.00 1.00 C ATOM 417 CG2 ILE A 25 -3.120 -4.001 6.303 1.00 1.00 C ATOM 418 CD1 ILE A 25 0.407 -5.118 6.852 1.00 1.00 C ATOM 0 H ILE A 25 0.763 -2.885 5.855 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.049 -2.086 5.249 1.00 1.00 H new ATOM 0 HB ILE A 25 -1.455 -3.674 7.655 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -1.388 -5.707 5.801 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -0.440 -4.495 4.963 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.378 -4.975 6.720 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -3.741 -3.233 6.763 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -3.292 -4.010 5.227 1.00 1.00 H new ATOM 0 HD11 ILE A 25 1.012 -5.904 6.400 1.00 1.00 H new ATOM 0 HD12 ILE A 25 1.012 -4.220 6.975 1.00 1.00 H new ATOM 0 HD13 ILE A 25 0.049 -5.451 7.826 1.00 1.00 H new ATOM 430 N ILE A 26 -2.194 -0.386 7.143 1.00 1.00 N ATOM 431 CA ILE A 26 -2.194 0.704 8.160 1.00 1.00 C ATOM 432 C ILE A 26 -3.102 0.364 9.342 1.00 1.00 C ATOM 433 O ILE A 26 -4.070 -0.377 9.229 1.00 1.00 O ATOM 434 CB ILE A 26 -2.668 2.001 7.492 1.00 1.00 C ATOM 435 CG1 ILE A 26 -1.800 3.168 7.957 1.00 1.00 C ATOM 436 CG2 ILE A 26 -4.136 2.294 7.826 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.210 3.870 6.733 1.00 1.00 C ATOM 0 H ILE A 26 -2.991 -0.377 6.506 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.182 0.825 8.546 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.578 1.877 6.413 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -2.395 3.869 8.543 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -1.001 2.808 8.606 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -4.442 3.219 7.338 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -4.760 1.473 7.473 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -4.250 2.398 8.905 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.589 4.705 7.057 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -0.603 3.164 6.166 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.018 4.242 6.102 1.00 1.00 H new ATOM 449 N GLU A 27 -2.777 0.931 10.470 1.00 1.00 N ATOM 450 CA GLU A 27 -3.576 0.709 11.708 1.00 1.00 C ATOM 451 C GLU A 27 -3.645 2.012 12.522 1.00 1.00 C ATOM 452 O GLU A 27 -2.627 2.555 12.943 1.00 1.00 O ATOM 453 CB GLU A 27 -2.924 -0.398 12.544 1.00 1.00 C ATOM 454 CG GLU A 27 -3.649 -1.724 12.290 1.00 1.00 C ATOM 455 CD GLU A 27 -3.105 -2.799 13.236 1.00 1.00 C ATOM 456 OE1 GLU A 27 -2.143 -3.456 12.867 1.00 1.00 O ATOM 457 OE2 GLU A 27 -3.659 -2.950 14.314 1.00 1.00 O ATOM 0 H GLU A 27 -1.976 1.551 10.588 1.00 1.00 H new ATOM 0 HA GLU A 27 -4.588 0.406 11.439 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -1.870 -0.492 12.284 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -2.969 -0.143 13.603 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.721 -1.599 12.444 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.510 -2.033 11.254 1.00 1.00 H new ATOM 545 N ARG A 34 -2.090 11.028 11.961 1.00 1.00 N ATOM 546 CA ARG A 34 -1.014 10.127 11.449 1.00 1.00 C ATOM 547 C ARG A 34 -1.357 8.675 11.821 1.00 1.00 C ATOM 548 O ARG A 34 -2.168 8.423 12.697 1.00 1.00 O ATOM 549 CB ARG A 34 0.329 10.529 12.075 1.00 1.00 C ATOM 550 CG ARG A 34 0.311 10.238 13.579 1.00 1.00 C ATOM 551 CD ARG A 34 1.719 10.407 14.154 1.00 1.00 C ATOM 552 NE ARG A 34 1.694 11.443 15.226 1.00 1.00 N ATOM 553 CZ ARG A 34 2.232 12.616 15.017 1.00 1.00 C ATOM 554 NH1 ARG A 34 3.493 12.816 15.298 1.00 1.00 N ATOM 555 NH2 ARG A 34 1.506 13.589 14.530 1.00 1.00 N ATOM 0 HA ARG A 34 -0.939 10.214 10.365 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.141 9.979 11.599 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.518 11.589 11.903 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.381 10.914 14.082 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -0.046 9.224 13.759 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.076 9.459 14.557 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.413 10.700 13.366 1.00 1.00 H new ATOM 0 HE ARG A 34 1.256 11.236 16.124 1.00 1.00 H new ATOM 0 HH11 ARG A 34 4.057 12.057 15.680 1.00 1.00 H new ATOM 0 HH12 ARG A 34 3.913 13.731 15.135 1.00 1.00 H new ATOM 0 HH21 ARG A 34 0.522 13.432 14.314 1.00 1.00 H new ATOM 0 HH22 ARG A 34 1.924 14.505 14.366 1.00 1.00 H new ATOM 569 N VAL A 35 -0.756 7.724 11.151 1.00 1.00 N ATOM 570 CA VAL A 35 -1.049 6.281 11.439 1.00 1.00 C ATOM 571 C VAL A 35 0.228 5.465 11.452 1.00 1.00 C ATOM 572 O VAL A 35 1.275 5.898 10.998 1.00 1.00 O ATOM 573 CB VAL A 35 -1.968 5.677 10.389 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.352 6.281 10.510 1.00 1.00 C ATOM 575 CG2 VAL A 35 -1.395 5.945 9.005 1.00 1.00 C ATOM 0 H VAL A 35 -0.071 7.883 10.412 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.533 6.252 12.415 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.043 4.601 10.543 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.007 5.845 9.755 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -3.754 6.074 11.502 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.293 7.359 10.360 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.051 5.513 8.250 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -1.317 7.020 8.846 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -0.406 5.494 8.927 1.00 1.00 H new ATOM 585 N ARG A 36 0.123 4.266 11.933 1.00 1.00 N ATOM 586 CA ARG A 36 1.319 3.353 11.957 1.00 1.00 C ATOM 587 C ARG A 36 1.103 2.245 10.931 1.00 1.00 C ATOM 588 O ARG A 36 0.044 1.639 10.892 1.00 1.00 O ATOM 589 CB ARG A 36 1.514 2.736 13.347 1.00 1.00 C ATOM 590 CG ARG A 36 0.156 2.475 14.009 1.00 1.00 C ATOM 591 CD ARG A 36 0.351 1.664 15.291 1.00 1.00 C ATOM 592 NE ARG A 36 -0.949 1.059 15.699 1.00 1.00 N ATOM 593 CZ ARG A 36 -1.743 1.702 16.515 1.00 1.00 C ATOM 594 NH1 ARG A 36 -1.551 1.628 17.806 1.00 1.00 N ATOM 595 NH2 ARG A 36 -2.728 2.420 16.040 1.00 1.00 N ATOM 0 H ARG A 36 -0.735 3.866 12.314 1.00 1.00 H new ATOM 0 HA ARG A 36 2.212 3.929 11.716 1.00 1.00 H new ATOM 0 HB2 ARG A 36 2.071 1.803 13.263 1.00 1.00 H new ATOM 0 HB3 ARG A 36 2.107 3.406 13.970 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.335 3.421 14.238 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -0.496 1.935 13.322 1.00 1.00 H new ATOM 0 HD2 ARG A 36 1.093 0.882 15.130 1.00 1.00 H new ATOM 0 HD3 ARG A 36 0.731 2.306 16.086 1.00 1.00 H new ATOM 0 HE ARG A 36 -1.219 0.143 15.341 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -0.782 1.069 18.176 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.170 2.129 18.443 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -2.877 2.478 15.033 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -3.347 2.921 16.677 1.00 1.00 H new ATOM 609 N VAL A 37 2.070 1.983 10.077 1.00 1.00 N ATOM 610 CA VAL A 37 1.857 0.929 9.053 1.00 1.00 C ATOM 611 C VAL A 37 3.134 0.104 8.838 1.00 1.00 C ATOM 612 O VAL A 37 4.246 0.615 8.830 1.00 1.00 O ATOM 613 CB VAL A 37 1.402 1.581 7.723 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.464 3.107 7.826 1.00 1.00 C ATOM 615 CG2 VAL A 37 2.303 1.130 6.575 1.00 1.00 C ATOM 0 H VAL A 37 2.977 2.448 10.051 1.00 1.00 H new ATOM 0 HA VAL A 37 1.079 0.252 9.405 1.00 1.00 H new ATOM 0 HB VAL A 37 0.376 1.269 7.530 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.141 3.549 6.883 1.00 1.00 H new ATOM 0 HG12 VAL A 37 0.808 3.444 8.628 1.00 1.00 H new ATOM 0 HG13 VAL A 37 2.487 3.416 8.040 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.971 1.596 5.647 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.332 1.426 6.782 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.250 0.046 6.475 1.00 1.00 H new ATOM 625 N ARG A 38 2.945 -1.163 8.595 1.00 1.00 N ATOM 626 CA ARG A 38 4.088 -2.081 8.295 1.00 1.00 C ATOM 627 C ARG A 38 3.973 -2.405 6.809 1.00 1.00 C ATOM 628 O ARG A 38 2.873 -2.466 6.283 1.00 1.00 O ATOM 629 CB ARG A 38 3.995 -3.367 9.131 1.00 1.00 C ATOM 630 CG ARG A 38 2.543 -3.856 9.204 1.00 1.00 C ATOM 631 CD ARG A 38 2.501 -5.263 9.804 1.00 1.00 C ATOM 632 NE ARG A 38 2.045 -5.183 11.222 1.00 1.00 N ATOM 633 CZ ARG A 38 2.919 -5.172 12.192 1.00 1.00 C ATOM 634 NH1 ARG A 38 3.353 -6.300 12.692 1.00 1.00 N ATOM 635 NH2 ARG A 38 3.362 -4.033 12.660 1.00 1.00 N ATOM 0 H ARG A 38 2.030 -1.613 8.591 1.00 1.00 H new ATOM 0 HA ARG A 38 5.044 -1.618 8.539 1.00 1.00 H new ATOM 0 HB2 ARG A 38 4.624 -4.141 8.690 1.00 1.00 H new ATOM 0 HB3 ARG A 38 4.374 -3.183 10.136 1.00 1.00 H new ATOM 0 HG2 ARG A 38 1.950 -3.173 9.812 1.00 1.00 H new ATOM 0 HG3 ARG A 38 2.101 -3.862 8.208 1.00 1.00 H new ATOM 0 HD2 ARG A 38 1.826 -5.896 9.228 1.00 1.00 H new ATOM 0 HD3 ARG A 38 3.488 -5.722 9.753 1.00 1.00 H new ATOM 0 HE ARG A 38 1.048 -5.137 11.434 1.00 1.00 H new ATOM 0 HH11 ARG A 38 3.009 -7.187 12.324 1.00 1.00 H new ATOM 0 HH12 ARG A 38 4.036 -6.293 13.450 1.00 1.00 H new ATOM 0 HH21 ARG A 38 3.025 -3.154 12.267 1.00 1.00 H new ATOM 0 HH22 ARG A 38 4.045 -4.024 13.418 1.00 1.00 H new ATOM 649 N CYS A 39 5.062 -2.556 6.096 1.00 1.00 N ATOM 650 CA CYS A 39 4.919 -2.795 4.636 1.00 1.00 C ATOM 651 C CYS A 39 5.897 -3.834 4.101 1.00 1.00 C ATOM 652 O CYS A 39 6.982 -4.045 4.620 1.00 1.00 O ATOM 653 CB CYS A 39 5.182 -1.476 3.896 1.00 1.00 C ATOM 654 SG CYS A 39 4.627 -0.076 4.902 1.00 1.00 S ATOM 0 H CYS A 39 6.017 -2.525 6.453 1.00 1.00 H new ATOM 0 HA CYS A 39 3.909 -3.171 4.470 1.00 1.00 H new ATOM 0 HB2 CYS A 39 6.246 -1.378 3.678 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.659 -1.476 2.939 1.00 1.00 H new ATOM 0 HG CYS A 39 4.476 0.970 4.145 1.00 1.00 H new ATOM 660 N LEU A 40 5.522 -4.408 2.988 1.00 1.00 N ATOM 661 CA LEU A 40 6.379 -5.360 2.288 1.00 1.00 C ATOM 662 C LEU A 40 7.140 -4.549 1.247 1.00 1.00 C ATOM 663 O LEU A 40 7.015 -3.309 1.171 1.00 1.00 O ATOM 664 CB LEU A 40 5.563 -6.460 1.608 1.00 1.00 C ATOM 665 CG LEU A 40 5.969 -7.842 2.149 1.00 1.00 C ATOM 666 CD1 LEU A 40 7.496 -7.976 2.236 1.00 1.00 C ATOM 667 CD2 LEU A 40 5.358 -8.048 3.538 1.00 1.00 C ATOM 0 H LEU A 40 4.624 -4.238 2.535 1.00 1.00 H new ATOM 0 HA LEU A 40 7.048 -5.861 2.987 1.00 1.00 H new ATOM 0 HB2 LEU A 40 4.500 -6.293 1.781 1.00 1.00 H new ATOM 0 HB3 LEU A 40 5.720 -6.424 0.530 1.00 1.00 H new ATOM 0 HG LEU A 40 5.597 -8.602 1.462 1.00 1.00 H new ATOM 0 HD11 LEU A 40 7.753 -8.963 2.621 1.00 1.00 H new ATOM 0 HD12 LEU A 40 7.929 -7.850 1.244 1.00 1.00 H new ATOM 0 HD13 LEU A 40 7.891 -7.211 2.905 1.00 1.00 H new ATOM 0 HD21 LEU A 40 5.646 -9.027 3.921 1.00 1.00 H new ATOM 0 HD22 LEU A 40 5.721 -7.273 4.214 1.00 1.00 H new ATOM 0 HD23 LEU A 40 4.272 -7.990 3.470 1.00 1.00 H new ATOM 679 N ASP A 41 7.978 -5.232 0.515 1.00 1.00 N ATOM 680 CA ASP A 41 8.916 -4.562 -0.407 1.00 1.00 C ATOM 681 C ASP A 41 10.016 -4.006 0.534 1.00 1.00 C ATOM 682 O ASP A 41 10.763 -3.104 0.205 1.00 1.00 O ATOM 683 CB ASP A 41 8.223 -3.428 -1.181 1.00 1.00 C ATOM 684 CG ASP A 41 9.022 -3.101 -2.447 1.00 1.00 C ATOM 685 OD1 ASP A 41 8.839 -3.793 -3.436 1.00 1.00 O ATOM 686 OD2 ASP A 41 9.798 -2.160 -2.408 1.00 1.00 O ATOM 0 H ASP A 41 8.047 -6.250 0.524 1.00 1.00 H new ATOM 0 HA ASP A 41 9.310 -5.234 -1.169 1.00 1.00 H new ATOM 0 HB2 ASP A 41 7.208 -3.724 -1.447 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.142 -2.542 -0.552 1.00 1.00 H new ATOM 691 N GLY A 42 10.126 -4.642 1.713 1.00 1.00 N ATOM 692 CA GLY A 42 11.169 -4.307 2.737 1.00 1.00 C ATOM 693 C GLY A 42 11.017 -2.906 3.348 1.00 1.00 C ATOM 694 O GLY A 42 11.982 -2.164 3.365 1.00 1.00 O ATOM 0 H GLY A 42 9.505 -5.400 1.996 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.130 -5.047 3.536 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.154 -4.387 2.277 1.00 1.00 H new ATOM 698 N LYS A 43 9.863 -2.516 3.877 1.00 1.00 N ATOM 699 CA LYS A 43 9.799 -1.147 4.487 1.00 1.00 C ATOM 700 C LYS A 43 8.866 -1.081 5.702 1.00 1.00 C ATOM 701 O LYS A 43 7.904 -1.818 5.817 1.00 1.00 O ATOM 702 CB LYS A 43 9.356 -0.131 3.438 1.00 1.00 C ATOM 703 CG LYS A 43 10.187 1.150 3.578 1.00 1.00 C ATOM 704 CD LYS A 43 11.649 0.880 3.201 1.00 1.00 C ATOM 705 CE LYS A 43 12.481 0.688 4.473 1.00 1.00 C ATOM 706 NZ LYS A 43 13.859 1.222 4.267 1.00 1.00 N ATOM 0 H LYS A 43 9.004 -3.065 3.909 1.00 1.00 H new ATOM 0 HA LYS A 43 10.802 -0.908 4.840 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.479 -0.548 2.439 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.297 0.095 3.561 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.777 1.930 2.936 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.131 1.518 4.602 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.715 -0.009 2.574 1.00 1.00 H new ATOM 0 HD3 LYS A 43 12.044 1.712 2.618 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.005 1.200 5.309 1.00 1.00 H new ATOM 0 HE3 LYS A 43 12.527 -0.370 4.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 14.523 0.717 4.888 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 14.140 1.085 3.275 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 13.876 2.237 4.494 1.00 1.00 H new ATOM 720 N THR A 44 9.138 -0.145 6.578 1.00 1.00 N ATOM 721 CA THR A 44 8.286 0.091 7.793 1.00 1.00 C ATOM 722 C THR A 44 8.150 1.612 7.927 1.00 1.00 C ATOM 723 O THR A 44 9.144 2.325 8.039 1.00 1.00 O ATOM 724 CB THR A 44 8.951 -0.498 9.046 1.00 1.00 C ATOM 725 OG1 THR A 44 9.695 -1.662 8.702 1.00 1.00 O ATOM 726 CG2 THR A 44 7.873 -0.864 10.064 1.00 1.00 C ATOM 0 H THR A 44 9.937 0.484 6.502 1.00 1.00 H new ATOM 0 HA THR A 44 7.314 -0.391 7.692 1.00 1.00 H new ATOM 0 HB THR A 44 9.627 0.241 9.475 1.00 1.00 H new ATOM 0 HG1 THR A 44 10.117 -2.030 9.506 1.00 1.00 H new ATOM 0 HG21 THR A 44 8.341 -1.283 10.955 1.00 1.00 H new ATOM 0 HG22 THR A 44 7.310 0.029 10.335 1.00 1.00 H new ATOM 0 HG23 THR A 44 7.197 -1.600 9.629 1.00 1.00 H new ATOM 734 N ARG A 45 6.945 2.133 7.841 1.00 1.00 N ATOM 735 CA ARG A 45 6.793 3.617 7.877 1.00 1.00 C ATOM 736 C ARG A 45 5.495 4.061 8.534 1.00 1.00 C ATOM 737 O ARG A 45 4.542 3.312 8.644 1.00 1.00 O ATOM 738 CB ARG A 45 6.809 4.148 6.442 1.00 1.00 C ATOM 739 CG ARG A 45 6.028 3.195 5.527 1.00 1.00 C ATOM 740 CD ARG A 45 7.003 2.248 4.822 1.00 1.00 C ATOM 741 NE ARG A 45 8.103 3.045 4.213 1.00 1.00 N ATOM 742 CZ ARG A 45 7.842 3.862 3.235 1.00 1.00 C ATOM 743 NH1 ARG A 45 7.708 3.406 2.018 1.00 1.00 N ATOM 744 NH2 ARG A 45 7.716 5.134 3.478 1.00 1.00 N ATOM 0 H ARG A 45 6.079 1.602 7.749 1.00 1.00 H new ATOM 0 HA ARG A 45 7.619 4.013 8.468 1.00 1.00 H new ATOM 0 HB2 ARG A 45 6.367 5.144 6.408 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.837 4.243 6.091 1.00 1.00 H new ATOM 0 HG2 ARG A 45 5.307 2.623 6.111 1.00 1.00 H new ATOM 0 HG3 ARG A 45 5.461 3.764 4.790 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.409 1.529 5.533 1.00 1.00 H new ATOM 0 HD3 ARG A 45 6.483 1.677 4.053 1.00 1.00 H new ATOM 0 HE ARG A 45 9.057 2.951 4.561 1.00 1.00 H new ATOM 0 HH11 ARG A 45 7.808 2.408 1.833 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.503 4.048 1.252 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.822 5.484 4.430 1.00 1.00 H new ATOM 0 HH22 ARG A 45 7.511 5.781 2.716 1.00 1.00 H new ATOM 758 N LEU A 46 5.440 5.319 8.883 1.00 1.00 N ATOM 759 CA LEU A 46 4.188 5.896 9.442 1.00 1.00 C ATOM 760 C LEU A 46 3.498 6.577 8.255 1.00 1.00 C ATOM 761 O LEU A 46 4.141 7.264 7.481 1.00 1.00 O ATOM 762 CB LEU A 46 4.505 6.931 10.529 1.00 1.00 C ATOM 763 CG LEU A 46 5.090 6.248 11.776 1.00 1.00 C ATOM 764 CD1 LEU A 46 4.289 4.988 12.118 1.00 1.00 C ATOM 765 CD2 LEU A 46 6.551 5.869 11.519 1.00 1.00 C ATOM 0 H LEU A 46 6.217 5.975 8.803 1.00 1.00 H new ATOM 0 HA LEU A 46 3.563 5.132 9.904 1.00 1.00 H new ATOM 0 HB2 LEU A 46 5.213 7.665 10.144 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.598 7.473 10.797 1.00 1.00 H new ATOM 0 HG LEU A 46 5.034 6.942 12.614 1.00 1.00 H new ATOM 0 HD11 LEU A 46 4.715 4.515 13.003 1.00 1.00 H new ATOM 0 HD12 LEU A 46 3.252 5.259 12.315 1.00 1.00 H new ATOM 0 HD13 LEU A 46 4.330 4.292 11.280 1.00 1.00 H new ATOM 0 HD21 LEU A 46 6.963 5.385 12.405 1.00 1.00 H new ATOM 0 HD22 LEU A 46 6.606 5.184 10.673 1.00 1.00 H new ATOM 0 HD23 LEU A 46 7.126 6.768 11.296 1.00 1.00 H new ATOM 777 N GLY A 47 2.225 6.357 8.060 1.00 1.00 N ATOM 778 CA GLY A 47 1.545 6.947 6.868 1.00 1.00 C ATOM 779 C GLY A 47 0.843 8.253 7.204 1.00 1.00 C ATOM 780 O GLY A 47 0.397 8.478 8.316 1.00 1.00 O ATOM 0 H GLY A 47 1.629 5.798 8.670 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.279 7.121 6.081 1.00 1.00 H new ATOM 0 HA3 GLY A 47 0.819 6.235 6.475 1.00 1.00 H new ATOM 784 N ARG A 48 0.748 9.119 6.224 1.00 1.00 N ATOM 785 CA ARG A 48 0.082 10.429 6.428 1.00 1.00 C ATOM 786 C ARG A 48 -1.051 10.597 5.415 1.00 1.00 C ATOM 787 O ARG A 48 -0.942 10.202 4.266 1.00 1.00 O ATOM 788 CB ARG A 48 1.095 11.568 6.269 1.00 1.00 C ATOM 789 CG ARG A 48 1.802 11.470 4.912 1.00 1.00 C ATOM 790 CD ARG A 48 2.235 12.866 4.460 1.00 1.00 C ATOM 791 NE ARG A 48 1.031 13.685 4.133 1.00 1.00 N ATOM 792 CZ ARG A 48 1.169 14.851 3.561 1.00 1.00 C ATOM 793 NH1 ARG A 48 1.480 15.899 4.278 1.00 1.00 N ATOM 794 NH2 ARG A 48 0.999 14.968 2.270 1.00 1.00 N ATOM 0 H ARG A 48 1.110 8.965 5.283 1.00 1.00 H new ATOM 0 HA ARG A 48 -0.330 10.462 7.437 1.00 1.00 H new ATOM 0 HB2 ARG A 48 0.587 12.529 6.353 1.00 1.00 H new ATOM 0 HB3 ARG A 48 1.830 11.524 7.073 1.00 1.00 H new ATOM 0 HG2 ARG A 48 2.670 10.815 4.989 1.00 1.00 H new ATOM 0 HG3 ARG A 48 1.134 11.028 4.173 1.00 1.00 H new ATOM 0 HD2 ARG A 48 2.813 13.350 5.247 1.00 1.00 H new ATOM 0 HD3 ARG A 48 2.884 12.791 3.587 1.00 1.00 H new ATOM 0 HE ARG A 48 0.100 13.334 4.356 1.00 1.00 H new ATOM 0 HH11 ARG A 48 1.615 15.806 5.285 1.00 1.00 H new ATOM 0 HH12 ARG A 48 1.588 16.809 3.831 1.00 1.00 H new ATOM 0 HH21 ARG A 48 0.759 14.149 1.711 1.00 1.00 H new ATOM 0 HH22 ARG A 48 1.106 15.878 1.822 1.00 1.00 H new ATOM 1056 N ASP A 63 -6.644 -1.909 8.132 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.061 -1.617 6.719 1.00 1.00 C ATOM 1058 C ASP A 63 -5.820 -1.694 5.821 1.00 1.00 C ATOM 1059 O ASP A 63 -4.708 -1.615 6.309 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.670 -0.211 6.645 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.143 -0.305 6.237 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -9.402 -0.523 5.063 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.989 -0.153 7.104 1.00 1.00 O ATOM 0 HA ASP A 63 -7.805 -2.342 6.388 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.582 0.285 7.612 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.121 0.396 5.924 1.00 1.00 H new ATOM 1068 N VAL A 64 -5.977 -1.856 4.525 1.00 1.00 N ATOM 1069 CA VAL A 64 -4.761 -1.949 3.644 1.00 1.00 C ATOM 1070 C VAL A 64 -4.541 -0.623 2.920 1.00 1.00 C ATOM 1071 O VAL A 64 -5.482 0.040 2.518 1.00 1.00 O ATOM 1072 CB VAL A 64 -4.899 -3.085 2.620 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -3.578 -3.857 2.557 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.020 -4.046 3.028 1.00 1.00 C ATOM 0 H VAL A 64 -6.875 -1.927 4.046 1.00 1.00 H new ATOM 0 HA VAL A 64 -3.901 -2.166 4.278 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.140 -2.658 1.647 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -3.664 -4.667 1.833 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -2.777 -3.183 2.254 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.352 -4.272 3.539 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.102 -4.844 2.290 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -5.793 -4.476 4.004 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -6.963 -3.503 3.081 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.299 -0.223 2.770 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.008 1.076 2.093 1.00 1.00 C ATOM 1086 C VAL A 65 -1.758 0.975 1.213 1.00 1.00 C ATOM 1087 O VAL A 65 -0.892 0.146 1.427 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.775 2.164 3.158 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -3.976 2.237 4.103 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.514 1.842 3.972 1.00 1.00 C ATOM 0 H VAL A 65 -2.479 -0.740 3.087 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.861 1.329 1.463 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.648 3.122 2.654 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.803 3.009 4.853 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -4.873 2.480 3.533 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.109 1.275 4.597 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.358 2.617 4.722 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -1.636 0.878 4.466 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.652 1.802 3.306 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.631 1.870 0.267 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.400 1.897 -0.588 1.00 1.00 C ATOM 1102 C ILE A 66 0.478 3.015 -0.018 1.00 1.00 C ATOM 1103 O ILE A 66 -0.042 4.003 0.477 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.760 2.170 -2.055 1.00 1.00 C ATOM 1105 CG1 ILE A 66 0.440 1.828 -2.946 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.135 3.644 -2.250 1.00 1.00 C ATOM 1107 CD1 ILE A 66 -0.003 0.889 -4.070 1.00 1.00 C ATOM 0 H ILE A 66 -2.325 2.584 0.048 1.00 1.00 H new ATOM 0 HA ILE A 66 0.119 0.939 -0.574 1.00 1.00 H new ATOM 0 HB ILE A 66 -1.614 1.551 -2.329 1.00 1.00 H new ATOM 0 HG12 ILE A 66 0.864 2.740 -3.367 1.00 1.00 H new ATOM 0 HG13 ILE A 66 1.223 1.356 -2.352 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.387 3.820 -3.296 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -1.993 3.887 -1.624 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -0.291 4.274 -1.969 1.00 1.00 H new ATOM 0 HD11 ILE A 66 0.852 0.648 -4.701 1.00 1.00 H new ATOM 0 HD12 ILE A 66 -0.407 -0.028 -3.640 1.00 1.00 H new ATOM 0 HD13 ILE A 66 -0.771 1.377 -4.670 1.00 1.00 H new ATOM 1119 N VAL A 67 1.784 2.872 -0.015 1.00 1.00 N ATOM 1120 CA VAL A 67 2.606 3.950 0.612 1.00 1.00 C ATOM 1121 C VAL A 67 3.752 4.447 -0.287 1.00 1.00 C ATOM 1122 O VAL A 67 4.321 3.728 -1.103 1.00 1.00 O ATOM 1123 CB VAL A 67 3.189 3.451 1.950 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.260 2.407 2.577 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.568 2.825 1.724 1.00 1.00 C ATOM 0 H VAL A 67 2.299 2.083 -0.406 1.00 1.00 H new ATOM 0 HA VAL A 67 1.936 4.795 0.772 1.00 1.00 H new ATOM 0 HB VAL A 67 3.282 4.303 2.623 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.683 2.063 3.521 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.282 2.853 2.759 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.153 1.561 1.898 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.970 2.476 2.675 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.477 1.983 1.038 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.240 3.570 1.297 1.00 1.00 H new ATOM 1135 N LYS A 68 4.110 5.686 -0.053 1.00 1.00 N ATOM 1136 CA LYS A 68 5.235 6.356 -0.761 1.00 1.00 C ATOM 1137 C LYS A 68 6.396 6.414 0.229 1.00 1.00 C ATOM 1138 O LYS A 68 6.146 6.507 1.418 1.00 1.00 O ATOM 1139 CB LYS A 68 4.831 7.780 -1.166 1.00 1.00 C ATOM 1140 CG LYS A 68 3.746 7.729 -2.246 1.00 1.00 C ATOM 1141 CD LYS A 68 3.817 9.003 -3.090 1.00 1.00 C ATOM 1142 CE LYS A 68 2.501 9.197 -3.846 1.00 1.00 C ATOM 1143 NZ LYS A 68 2.787 9.582 -5.257 1.00 1.00 N ATOM 0 H LYS A 68 3.644 6.282 0.631 1.00 1.00 H new ATOM 0 HA LYS A 68 5.507 5.813 -1.666 1.00 1.00 H new ATOM 0 HB2 LYS A 68 4.464 8.324 -0.296 1.00 1.00 H new ATOM 0 HB3 LYS A 68 5.701 8.322 -1.538 1.00 1.00 H new ATOM 0 HG2 LYS A 68 3.886 6.852 -2.878 1.00 1.00 H new ATOM 0 HG3 LYS A 68 2.762 7.637 -1.786 1.00 1.00 H new ATOM 0 HD2 LYS A 68 4.010 9.864 -2.450 1.00 1.00 H new ATOM 0 HD3 LYS A 68 4.646 8.938 -3.795 1.00 1.00 H new ATOM 0 HE2 LYS A 68 1.916 8.277 -3.821 1.00 1.00 H new ATOM 0 HE3 LYS A 68 1.902 9.969 -3.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 1.892 9.713 -5.769 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 3.328 10.470 -5.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 3.341 8.831 -5.716 1.00 1.00 H new ATOM 1157 N PRO A 69 7.609 6.346 -0.267 1.00 1.00 N ATOM 1158 CA PRO A 69 8.812 6.342 0.590 1.00 1.00 C ATOM 1159 C PRO A 69 9.328 7.753 0.900 1.00 1.00 C ATOM 1160 O PRO A 69 9.417 8.614 0.042 1.00 1.00 O ATOM 1161 CB PRO A 69 9.841 5.632 -0.282 1.00 1.00 C ATOM 1162 CG PRO A 69 9.378 5.811 -1.753 1.00 1.00 C ATOM 1163 CD PRO A 69 7.896 6.224 -1.708 1.00 1.00 C ATOM 0 HA PRO A 69 8.612 5.878 1.556 1.00 1.00 H new ATOM 0 HB2 PRO A 69 10.833 6.058 -0.134 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.905 4.575 -0.022 1.00 1.00 H new ATOM 0 HG2 PRO A 69 9.976 6.571 -2.256 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.504 4.884 -2.313 1.00 1.00 H new ATOM 0 HD2 PRO A 69 7.727 7.165 -2.231 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.258 5.478 -2.181 1.00 1.00 H new ATOM 1171 N TRP A 70 9.665 7.970 2.154 1.00 1.00 N ATOM 1172 CA TRP A 70 10.183 9.291 2.613 1.00 1.00 C ATOM 1173 C TRP A 70 11.574 9.064 3.197 1.00 1.00 C ATOM 1174 O TRP A 70 11.684 8.372 4.213 1.00 1.00 O ATOM 1175 CB TRP A 70 9.368 9.856 3.766 1.00 1.00 C ATOM 1176 CG TRP A 70 8.097 10.285 3.272 1.00 1.00 C ATOM 1177 CD1 TRP A 70 7.383 9.591 2.406 1.00 1.00 C ATOM 1178 CD2 TRP A 70 7.357 11.472 3.602 1.00 1.00 C ATOM 1179 NE1 TRP A 70 6.254 10.248 2.168 1.00 1.00 N ATOM 1180 CE2 TRP A 70 6.171 11.426 2.877 1.00 1.00 C ATOM 1181 CE3 TRP A 70 7.593 12.571 4.450 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 5.232 12.421 2.971 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 6.639 13.594 4.551 1.00 1.00 C ATOM 1184 CH2 TRP A 70 5.453 13.518 3.810 1.00 1.00 C ATOM 0 H TRP A 70 9.599 7.267 2.890 1.00 1.00 H new ATOM 0 HA TRP A 70 10.154 9.970 1.760 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.235 9.099 4.539 1.00 1.00 H new ATOM 0 HB3 TRP A 70 9.895 10.692 4.225 1.00 1.00 H new ATOM 0 HD1 TRP A 70 7.669 8.647 1.965 1.00 1.00 H new ATOM 0 HE1 TRP A 70 5.529 9.917 1.531 1.00 1.00 H new ATOM 0 HE3 TRP A 70 8.507 12.626 5.022 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 4.320 12.357 2.396 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 6.819 14.439 5.199 1.00 1.00 H new ATOM 0 HH2 TRP A 70 4.714 14.302 3.886 1.00 1.00 H new ATOM 1262 N GLN A 76 11.088 5.061 8.099 1.00 1.00 N ATOM 1263 CA GLN A 76 10.691 5.875 6.910 1.00 1.00 C ATOM 1264 C GLN A 76 9.317 6.519 7.086 1.00 1.00 C ATOM 1265 O GLN A 76 8.452 6.025 7.796 1.00 1.00 O ATOM 1266 CB GLN A 76 10.663 4.982 5.669 1.00 1.00 C ATOM 1267 CG GLN A 76 12.017 5.050 4.956 1.00 1.00 C ATOM 1268 CD GLN A 76 11.819 4.883 3.444 1.00 1.00 C ATOM 1269 OE1 GLN A 76 10.880 5.406 2.877 1.00 1.00 O ATOM 1270 NE2 GLN A 76 12.678 4.176 2.760 1.00 1.00 N ATOM 0 HA GLN A 76 11.426 6.672 6.798 1.00 1.00 H new ATOM 0 HB2 GLN A 76 10.442 3.953 5.954 1.00 1.00 H new ATOM 0 HB3 GLN A 76 9.869 5.304 4.995 1.00 1.00 H new ATOM 0 HG2 GLN A 76 12.501 6.004 5.165 1.00 1.00 H new ATOM 0 HG3 GLN A 76 12.677 4.269 5.334 1.00 1.00 H new ATOM 0 HE21 GLN A 76 13.467 3.736 3.233 1.00 1.00 H new ATOM 0 HE22 GLN A 76 12.560 4.064 1.753 1.00 1.00 H new ATOM 1279 N LYS A 77 9.108 7.609 6.389 1.00 1.00 N ATOM 1280 CA LYS A 77 7.772 8.295 6.434 1.00 1.00 C ATOM 1281 C LYS A 77 7.062 7.917 5.152 1.00 1.00 C ATOM 1282 O LYS A 77 7.706 7.624 4.174 1.00 1.00 O ATOM 1283 CB LYS A 77 7.956 9.815 6.547 1.00 1.00 C ATOM 1284 CG LYS A 77 6.635 10.467 6.970 1.00 1.00 C ATOM 1285 CD LYS A 77 6.355 10.160 8.443 1.00 1.00 C ATOM 1286 CE LYS A 77 5.097 10.909 8.887 1.00 1.00 C ATOM 1287 NZ LYS A 77 5.196 11.242 10.337 1.00 1.00 N ATOM 0 H LYS A 77 9.802 8.056 5.790 1.00 1.00 H new ATOM 0 HA LYS A 77 7.189 7.988 7.302 1.00 1.00 H new ATOM 0 HB2 LYS A 77 8.734 10.043 7.275 1.00 1.00 H new ATOM 0 HB3 LYS A 77 8.284 10.223 5.591 1.00 1.00 H new ATOM 0 HG2 LYS A 77 6.685 11.545 6.817 1.00 1.00 H new ATOM 0 HG3 LYS A 77 5.820 10.094 6.350 1.00 1.00 H new ATOM 0 HD2 LYS A 77 6.222 9.087 8.584 1.00 1.00 H new ATOM 0 HD3 LYS A 77 7.205 10.459 9.056 1.00 1.00 H new ATOM 0 HE2 LYS A 77 4.979 11.821 8.302 1.00 1.00 H new ATOM 0 HE3 LYS A 77 4.214 10.297 8.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 4.340 11.751 10.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 5.288 10.365 10.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 6.030 11.842 10.499 1.00 1.00 H new ATOM 1301 N CYS A 78 5.772 7.851 5.119 1.00 1.00 N ATOM 1302 CA CYS A 78 5.128 7.432 3.844 1.00 1.00 C ATOM 1303 C CYS A 78 3.833 8.189 3.600 1.00 1.00 C ATOM 1304 O CYS A 78 3.124 8.558 4.521 1.00 1.00 O ATOM 1305 CB CYS A 78 4.850 5.925 3.879 1.00 1.00 C ATOM 1306 SG CYS A 78 3.492 5.557 5.013 1.00 1.00 S ATOM 0 H CYS A 78 5.143 8.061 5.894 1.00 1.00 H new ATOM 0 HA CYS A 78 5.811 7.663 3.027 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.601 5.572 2.878 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.747 5.391 4.192 1.00 1.00 H new ATOM 0 HG CYS A 78 3.272 4.276 5.026 1.00 1.00 H new ATOM 1312 N ASP A 79 3.490 8.362 2.351 1.00 1.00 N ATOM 1313 CA ASP A 79 2.191 9.034 2.021 1.00 1.00 C ATOM 1314 C ASP A 79 1.238 7.893 1.700 1.00 1.00 C ATOM 1315 O ASP A 79 1.539 7.076 0.844 1.00 1.00 O ATOM 1316 CB ASP A 79 2.352 9.957 0.807 1.00 1.00 C ATOM 1317 CG ASP A 79 1.451 11.188 0.970 1.00 1.00 C ATOM 1318 OD1 ASP A 79 0.240 11.023 0.942 1.00 1.00 O ATOM 1319 OD2 ASP A 79 1.987 12.274 1.120 1.00 1.00 O ATOM 0 H ASP A 79 4.046 8.071 1.547 1.00 1.00 H new ATOM 0 HA ASP A 79 1.831 9.658 2.839 1.00 1.00 H new ATOM 0 HB2 ASP A 79 3.393 10.266 0.709 1.00 1.00 H new ATOM 0 HB3 ASP A 79 2.091 9.422 -0.106 1.00 1.00 H new ATOM 1324 N ILE A 80 0.155 7.747 2.410 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.695 6.547 2.139 1.00 1.00 C ATOM 1326 C ILE A 80 -2.114 6.851 1.699 1.00 1.00 C ATOM 1327 O ILE A 80 -2.706 7.869 2.011 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.768 5.657 3.383 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -1.112 6.489 4.628 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.575 4.968 3.581 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -2.595 6.318 4.965 1.00 1.00 C ATOM 0 H ILE A 80 -0.173 8.378 3.141 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.203 6.047 1.305 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.552 4.913 3.241 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.498 6.172 5.471 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -0.888 7.541 4.449 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.531 4.332 4.465 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.804 4.358 2.707 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.353 5.719 3.713 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -2.838 6.909 5.848 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -3.201 6.657 4.124 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -2.804 5.267 5.163 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.658 5.874 1.025 1.00 1.00 N ATOM 1344 CA ILE A 81 -4.073 5.917 0.564 1.00 1.00 C ATOM 1345 C ILE A 81 -4.765 4.737 1.256 1.00 1.00 C ATOM 1346 O ILE A 81 -4.254 3.624 1.248 1.00 1.00 O ATOM 1347 CB ILE A 81 -4.152 5.801 -0.971 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -5.490 6.375 -1.452 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -4.045 4.339 -1.413 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -5.319 7.850 -1.821 1.00 1.00 C ATOM 0 H ILE A 81 -2.162 5.021 0.768 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.556 6.860 0.818 1.00 1.00 H new ATOM 0 HB ILE A 81 -3.322 6.359 -1.405 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -5.847 5.814 -2.315 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -6.243 6.271 -0.670 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -4.103 4.282 -2.500 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -3.093 3.927 -1.079 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -4.862 3.766 -0.975 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -6.273 8.253 -2.162 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -4.982 8.407 -0.947 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -4.580 7.943 -2.617 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.881 4.977 1.905 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.560 3.881 2.663 1.00 1.00 C ATOM 1364 C TRP A 82 -7.700 3.254 1.852 1.00 1.00 C ATOM 1365 O TRP A 82 -8.372 3.911 1.077 1.00 1.00 O ATOM 1366 CB TRP A 82 -7.087 4.461 3.994 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.451 3.925 4.321 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.701 2.874 5.137 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.748 4.396 3.854 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -10.068 2.671 5.200 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.756 3.585 4.426 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -10.143 5.440 2.998 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -12.108 3.802 4.157 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -11.502 5.660 2.724 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -12.483 4.843 3.303 1.00 1.00 C ATOM 0 H TRP A 82 -6.349 5.883 1.941 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.842 3.085 2.861 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.395 4.215 4.799 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -7.127 5.548 3.929 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -7.955 2.289 5.654 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.513 1.937 5.750 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.395 6.077 2.548 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -12.860 3.170 4.606 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -11.793 6.463 2.063 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -13.527 5.018 3.089 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.912 1.973 2.059 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.001 1.239 1.348 1.00 1.00 C ATOM 1388 C ARG A 83 -9.034 -0.223 1.824 1.00 1.00 C ATOM 1389 O ARG A 83 -8.083 -0.727 2.409 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.759 1.280 -0.165 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.057 1.674 -0.879 1.00 1.00 C ATOM 1392 CD ARG A 83 -9.975 3.135 -1.329 1.00 1.00 C ATOM 1393 NE ARG A 83 -11.056 3.416 -2.316 1.00 1.00 N ATOM 1394 CZ ARG A 83 -11.627 4.591 -2.346 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -11.112 5.549 -3.073 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -12.712 4.809 -1.648 1.00 1.00 N ATOM 0 H ARG A 83 -7.365 1.400 2.702 1.00 1.00 H new ATOM 0 HA ARG A 83 -9.956 1.716 1.570 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.971 1.996 -0.399 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.419 0.306 -0.516 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.220 1.027 -1.741 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -10.907 1.536 -0.211 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -10.073 3.797 -0.469 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.001 3.334 -1.775 1.00 1.00 H new ATOM 0 HE ARG A 83 -11.351 2.690 -2.969 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -10.265 5.378 -3.616 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -11.557 6.466 -3.097 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -13.112 4.062 -1.080 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.158 5.726 -1.671 1.00 1.00 H new ATOM 1498 N VAL A 89 -3.765 -2.320 -3.946 1.00 1.00 N ATOM 1499 CA VAL A 89 -3.297 -3.196 -2.825 1.00 1.00 C ATOM 1500 C VAL A 89 -3.654 -4.662 -3.124 1.00 1.00 C ATOM 1501 O VAL A 89 -2.910 -5.563 -2.784 1.00 1.00 O ATOM 1502 CB VAL A 89 -3.940 -2.753 -1.502 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -3.498 -3.694 -0.376 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -3.485 -1.329 -1.161 1.00 1.00 C ATOM 0 HA VAL A 89 -2.215 -3.106 -2.733 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.025 -2.781 -1.606 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.955 -3.379 0.562 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.812 -4.712 -0.608 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.413 -3.662 -0.280 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -3.942 -1.016 -0.222 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.400 -1.308 -1.061 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -3.789 -0.649 -1.957 1.00 1.00 H new ATOM 1514 N GLU A 90 -4.773 -4.910 -3.766 1.00 1.00 N ATOM 1515 CA GLU A 90 -5.153 -6.321 -4.094 1.00 1.00 C ATOM 1516 C GLU A 90 -4.107 -6.919 -5.047 1.00 1.00 C ATOM 1517 O GLU A 90 -3.748 -8.077 -4.936 1.00 1.00 O ATOM 1518 CB GLU A 90 -6.531 -6.345 -4.765 1.00 1.00 C ATOM 1519 CG GLU A 90 -7.625 -6.325 -3.692 1.00 1.00 C ATOM 1520 CD GLU A 90 -9.003 -6.436 -4.355 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -9.423 -7.551 -4.620 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -9.614 -5.405 -4.584 1.00 1.00 O ATOM 0 H GLU A 90 -5.436 -4.199 -4.075 1.00 1.00 H new ATOM 0 HA GLU A 90 -5.192 -6.908 -3.177 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -6.640 -5.485 -5.426 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -6.630 -7.237 -5.383 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -7.479 -7.150 -2.995 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -7.563 -5.404 -3.113 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.617 -6.127 -5.979 1.00 1.00 N ATOM 1530 CA TRP A 91 -2.590 -6.623 -6.950 1.00 1.00 C ATOM 1531 C TRP A 91 -1.281 -6.947 -6.219 1.00 1.00 C ATOM 1532 O TRP A 91 -0.773 -8.051 -6.313 1.00 1.00 O ATOM 1533 CB TRP A 91 -2.327 -5.542 -8.004 1.00 1.00 C ATOM 1534 CG TRP A 91 -3.143 -5.818 -9.227 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -4.432 -6.232 -9.231 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -2.748 -5.702 -10.624 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -4.850 -6.383 -10.540 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -3.847 -6.066 -11.436 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -1.552 -5.322 -11.257 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -3.764 -6.052 -12.828 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -1.463 -5.306 -12.659 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -2.568 -5.671 -13.442 1.00 1.00 C ATOM 0 H TRP A 91 -3.889 -5.152 -6.106 1.00 1.00 H new ATOM 0 HA TRP A 91 -2.962 -7.528 -7.429 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -2.578 -4.560 -7.602 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -1.268 -5.520 -8.260 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -5.036 -6.415 -8.354 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -5.784 -6.691 -10.811 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -0.696 -5.040 -10.662 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -4.618 -6.333 -13.427 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -0.540 -5.011 -13.136 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -2.494 -5.658 -14.519 1.00 1.00 H new ATOM 1553 N LEU A 92 -0.731 -5.992 -5.497 1.00 1.00 N ATOM 1554 CA LEU A 92 0.553 -6.238 -4.757 1.00 1.00 C ATOM 1555 C LEU A 92 0.376 -7.411 -3.781 1.00 1.00 C ATOM 1556 O LEU A 92 1.296 -8.177 -3.559 1.00 1.00 O ATOM 1557 CB LEU A 92 0.998 -4.977 -3.992 1.00 1.00 C ATOM 1558 CG LEU A 92 -0.177 -4.347 -3.232 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -0.195 -4.855 -1.788 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.018 -2.823 -3.235 1.00 1.00 C ATOM 0 H LEU A 92 -1.117 -5.054 -5.389 1.00 1.00 H new ATOM 0 HA LEU A 92 1.327 -6.486 -5.483 1.00 1.00 H new ATOM 0 HB2 LEU A 92 1.792 -5.235 -3.291 1.00 1.00 H new ATOM 0 HB3 LEU A 92 1.413 -4.251 -4.691 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.113 -4.622 -3.719 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -1.031 -4.404 -1.254 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -0.305 -5.939 -1.785 1.00 1.00 H new ATOM 0 HD13 LEU A 92 0.739 -4.584 -1.295 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -0.850 -2.369 -2.696 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.919 -2.554 -2.748 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.010 -2.460 -4.263 1.00 1.00 H new ATOM 1572 N LYS A 93 -0.801 -7.563 -3.213 1.00 1.00 N ATOM 1573 CA LYS A 93 -1.050 -8.694 -2.267 1.00 1.00 C ATOM 1574 C LYS A 93 -0.784 -10.022 -2.992 1.00 1.00 C ATOM 1575 O LYS A 93 -0.058 -10.872 -2.501 1.00 1.00 O ATOM 1576 CB LYS A 93 -2.506 -8.648 -1.793 1.00 1.00 C ATOM 1577 CG LYS A 93 -2.575 -7.965 -0.424 1.00 1.00 C ATOM 1578 CD LYS A 93 -4.011 -7.512 -0.146 1.00 1.00 C ATOM 1579 CE LYS A 93 -4.843 -8.699 0.350 1.00 1.00 C ATOM 1580 NZ LYS A 93 -4.489 -9.007 1.766 1.00 1.00 N ATOM 0 H LYS A 93 -1.600 -6.948 -3.367 1.00 1.00 H new ATOM 0 HA LYS A 93 -0.388 -8.609 -1.405 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -3.117 -8.105 -2.514 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -2.911 -9.658 -1.728 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -2.243 -8.653 0.354 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.902 -7.108 -0.400 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -4.013 -6.717 0.600 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -4.454 -7.099 -1.052 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -5.905 -8.468 0.273 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.660 -9.571 -0.278 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -5.240 -9.586 2.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -3.590 -9.530 1.793 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -4.390 -8.120 2.300 1.00 1.00 H new ATOM 1594 N ARG A 94 -1.354 -10.191 -4.167 1.00 1.00 N ATOM 1595 CA ARG A 94 -1.132 -11.446 -4.952 1.00 1.00 C ATOM 1596 C ARG A 94 0.368 -11.622 -5.218 1.00 1.00 C ATOM 1597 O ARG A 94 0.878 -12.726 -5.222 1.00 1.00 O ATOM 1598 CB ARG A 94 -1.881 -11.357 -6.286 1.00 1.00 C ATOM 1599 CG ARG A 94 -3.319 -11.851 -6.103 1.00 1.00 C ATOM 1600 CD ARG A 94 -3.713 -12.734 -7.290 1.00 1.00 C ATOM 1601 NE ARG A 94 -4.962 -12.208 -7.912 1.00 1.00 N ATOM 1602 CZ ARG A 94 -6.128 -12.638 -7.507 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -6.544 -13.827 -7.856 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -6.876 -11.877 -6.751 1.00 1.00 N ATOM 0 H ARG A 94 -1.965 -9.508 -4.615 1.00 1.00 H new ATOM 0 HA ARG A 94 -1.504 -12.299 -4.385 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.882 -10.328 -6.646 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.373 -11.958 -7.040 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -3.406 -12.414 -5.174 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.999 -11.002 -6.026 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -2.909 -12.753 -8.025 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -3.865 -13.761 -6.958 1.00 1.00 H new ATOM 0 HE ARG A 94 -4.906 -11.511 -8.655 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -5.959 -14.420 -8.445 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -7.454 -14.162 -7.540 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -6.549 -10.950 -6.479 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -7.786 -12.210 -6.434 1.00 1.00 H new ATOM 1618 N LYS A 95 1.074 -10.531 -5.429 1.00 1.00 N ATOM 1619 CA LYS A 95 2.545 -10.605 -5.684 1.00 1.00 C ATOM 1620 C LYS A 95 3.264 -11.160 -4.447 1.00 1.00 C ATOM 1621 O LYS A 95 4.247 -11.869 -4.567 1.00 1.00 O ATOM 1622 CB LYS A 95 3.083 -9.204 -5.995 1.00 1.00 C ATOM 1623 CG LYS A 95 3.222 -9.033 -7.508 1.00 1.00 C ATOM 1624 CD LYS A 95 3.368 -7.546 -7.841 1.00 1.00 C ATOM 1625 CE LYS A 95 4.024 -7.389 -9.216 1.00 1.00 C ATOM 1626 NZ LYS A 95 4.240 -5.941 -9.500 1.00 1.00 N ATOM 0 H LYS A 95 0.687 -9.587 -5.435 1.00 1.00 H new ATOM 0 HA LYS A 95 2.725 -11.265 -6.532 1.00 1.00 H new ATOM 0 HB2 LYS A 95 2.409 -8.447 -5.594 1.00 1.00 H new ATOM 0 HB3 LYS A 95 4.049 -9.059 -5.512 1.00 1.00 H new ATOM 0 HG2 LYS A 95 4.090 -9.585 -7.869 1.00 1.00 H new ATOM 0 HG3 LYS A 95 2.349 -9.446 -8.013 1.00 1.00 H new ATOM 0 HD2 LYS A 95 2.390 -7.064 -7.836 1.00 1.00 H new ATOM 0 HD3 LYS A 95 3.971 -7.050 -7.080 1.00 1.00 H new ATOM 0 HE2 LYS A 95 4.975 -7.921 -9.240 1.00 1.00 H new ATOM 0 HE3 LYS A 95 3.391 -7.831 -9.986 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 4.685 -5.833 -10.434 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 3.326 -5.446 -9.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 4.860 -5.533 -8.771 1.00 1.00 H new ATOM 1640 N GLY A 96 2.779 -10.851 -3.260 1.00 1.00 N ATOM 1641 CA GLY A 96 3.432 -11.370 -2.021 1.00 1.00 C ATOM 1642 C GLY A 96 3.292 -12.891 -1.983 1.00 1.00 C ATOM 1643 O GLY A 96 4.239 -13.602 -1.701 1.00 1.00 O ATOM 0 H GLY A 96 1.961 -10.263 -3.103 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.485 -11.089 -2.005 1.00 1.00 H new ATOM 0 HA3 GLY A 96 2.970 -10.927 -1.139 1.00 1.00 H new ATOM 1647 N TYR A 97 2.115 -13.388 -2.282 1.00 1.00 N ATOM 1648 CA TYR A 97 1.888 -14.871 -2.285 1.00 1.00 C ATOM 1649 C TYR A 97 2.722 -15.501 -3.407 1.00 1.00 C ATOM 1650 O TYR A 97 3.270 -16.577 -3.255 1.00 1.00 O ATOM 1651 CB TYR A 97 0.399 -15.193 -2.512 1.00 1.00 C ATOM 1652 CG TYR A 97 -0.484 -14.140 -1.868 1.00 1.00 C ATOM 1653 CD1 TYR A 97 -0.151 -13.601 -0.616 1.00 1.00 C ATOM 1654 CD2 TYR A 97 -1.631 -13.697 -2.534 1.00 1.00 C ATOM 1655 CE1 TYR A 97 -0.964 -12.623 -0.036 1.00 1.00 C ATOM 1656 CE2 TYR A 97 -2.445 -12.720 -1.955 1.00 1.00 C ATOM 1657 CZ TYR A 97 -2.113 -12.182 -0.705 1.00 1.00 C ATOM 1658 OH TYR A 97 -2.918 -11.219 -0.131 1.00 1.00 O ATOM 0 H TYR A 97 1.298 -12.829 -2.525 1.00 1.00 H new ATOM 0 HA TYR A 97 2.187 -15.277 -1.319 1.00 1.00 H new ATOM 0 HB2 TYR A 97 0.192 -15.243 -3.581 1.00 1.00 H new ATOM 0 HB3 TYR A 97 0.167 -16.173 -2.096 1.00 1.00 H new ATOM 0 HD1 TYR A 97 0.734 -13.942 -0.100 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -1.888 -14.111 -3.498 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -0.707 -12.208 0.927 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -3.330 -12.380 -2.471 1.00 1.00 H new ATOM 0 HH TYR A 97 -2.436 -10.786 0.604 1.00 1.00 H new ATOM 1668 N LEU A 98 2.825 -14.821 -4.528 1.00 1.00 N ATOM 1669 CA LEU A 98 3.624 -15.334 -5.678 1.00 1.00 C ATOM 1670 C LEU A 98 5.065 -15.593 -5.220 1.00 1.00 C ATOM 1671 O LEU A 98 5.581 -16.687 -5.348 1.00 1.00 O ATOM 1672 CB LEU A 98 3.628 -14.261 -6.764 1.00 1.00 C ATOM 1673 CG LEU A 98 3.583 -14.897 -8.145 1.00 1.00 C ATOM 1674 CD1 LEU A 98 3.733 -13.795 -9.186 1.00 1.00 C ATOM 1675 CD2 LEU A 98 4.731 -15.897 -8.291 1.00 1.00 C ATOM 0 H LEU A 98 2.380 -13.918 -4.691 1.00 1.00 H new ATOM 0 HA LEU A 98 3.195 -16.262 -6.057 1.00 1.00 H new ATOM 0 HB2 LEU A 98 2.771 -13.601 -6.634 1.00 1.00 H new ATOM 0 HB3 LEU A 98 4.522 -13.645 -6.671 1.00 1.00 H new ATOM 0 HG LEU A 98 2.638 -15.422 -8.284 1.00 1.00 H new ATOM 0 HD11 LEU A 98 3.703 -14.231 -10.184 1.00 1.00 H new ATOM 0 HD12 LEU A 98 2.918 -13.079 -9.078 1.00 1.00 H new ATOM 0 HD13 LEU A 98 4.685 -13.285 -9.041 1.00 1.00 H new ATOM 0 HD21 LEU A 98 4.695 -16.350 -9.282 1.00 1.00 H new ATOM 0 HD22 LEU A 98 5.682 -15.380 -8.163 1.00 1.00 H new ATOM 0 HD23 LEU A 98 4.635 -16.674 -7.533 1.00 1.00 H new ATOM 1687 N ASP A 99 5.705 -14.585 -4.680 1.00 1.00 N ATOM 1688 CA ASP A 99 7.112 -14.738 -4.192 1.00 1.00 C ATOM 1689 C ASP A 99 7.175 -15.824 -3.105 1.00 1.00 C ATOM 1690 O ASP A 99 8.150 -16.546 -3.003 1.00 1.00 O ATOM 1691 CB ASP A 99 7.591 -13.401 -3.612 1.00 1.00 C ATOM 1692 CG ASP A 99 9.069 -13.504 -3.216 1.00 1.00 C ATOM 1693 OD1 ASP A 99 9.908 -13.363 -4.092 1.00 1.00 O ATOM 1694 OD2 ASP A 99 9.335 -13.718 -2.044 1.00 1.00 O ATOM 0 H ASP A 99 5.309 -13.653 -4.555 1.00 1.00 H new ATOM 0 HA ASP A 99 7.754 -15.031 -5.023 1.00 1.00 H new ATOM 0 HB2 ASP A 99 7.457 -12.607 -4.347 1.00 1.00 H new ATOM 0 HB3 ASP A 99 6.990 -13.136 -2.742 1.00 1.00 H new ATOM 1699 N GLU A 100 6.143 -15.938 -2.293 1.00 1.00 N ATOM 1700 CA GLU A 100 6.133 -16.970 -1.207 1.00 1.00 C ATOM 1701 C GLU A 100 6.276 -18.377 -1.811 1.00 1.00 C ATOM 1702 O GLU A 100 7.168 -19.121 -1.446 1.00 1.00 O ATOM 1703 CB GLU A 100 4.819 -16.879 -0.425 1.00 1.00 C ATOM 1704 CG GLU A 100 4.951 -15.835 0.689 1.00 1.00 C ATOM 1705 CD GLU A 100 3.559 -15.382 1.146 1.00 1.00 C ATOM 1706 OE1 GLU A 100 2.854 -16.188 1.732 1.00 1.00 O ATOM 1707 OE2 GLU A 100 3.221 -14.235 0.905 1.00 1.00 O ATOM 0 H GLU A 100 5.306 -15.357 -2.339 1.00 1.00 H new ATOM 0 HA GLU A 100 6.972 -16.786 -0.535 1.00 1.00 H new ATOM 0 HB2 GLU A 100 4.004 -16.608 -1.096 1.00 1.00 H new ATOM 0 HB3 GLU A 100 4.571 -17.851 0.002 1.00 1.00 H new ATOM 0 HG2 GLU A 100 5.501 -16.256 1.531 1.00 1.00 H new ATOM 0 HG3 GLU A 100 5.523 -14.979 0.331 1.00 1.00 H new