USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 566 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 Single : A 603 LYS NZ :NH3+ -106:sc= 0.836 (180deg=-1.12!) USER MOD Single : A 612 LYS NZ :NH3+ 141:sc= 1.19 (180deg=0.784) USER MOD Single : A 614 TYR OH : rot 132:sc= 0.83 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot 152:sc= 0.903 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 83:sc= 1.1 USER MOD Single : A 631 MET CE :methyl 179:sc= -0.194 (180deg=-0.199) USER MOD Single : A 632 MET CE :methyl 135:sc= -0.178 (180deg=-0.962) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 1.18 K(o=1.2,f=-0.11) USER MOD Single : A 638 SER OG : rot 180:sc= 0.0713 USER MOD Single : A 641 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.02) USER MOD Single : A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 LYS NZ :NH3+ 167:sc= 2 (180deg=1.86) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -4.001 -2.077 2.695 1.00 0.00 N ATOM 325 CA ARG A 601 -2.701 -2.378 2.123 1.00 0.00 C ATOM 326 C ARG A 601 -1.902 -3.024 3.247 1.00 0.00 C ATOM 327 O ARG A 601 -2.182 -2.774 4.424 1.00 0.00 O ATOM 328 CB ARG A 601 -2.039 -1.096 1.586 1.00 0.00 C ATOM 329 CG ARG A 601 -1.604 -0.117 2.692 1.00 0.00 C ATOM 330 CD ARG A 601 -0.163 -0.389 3.165 1.00 0.00 C ATOM 331 NE ARG A 601 0.200 0.428 4.333 1.00 0.00 N ATOM 332 CZ ARG A 601 -0.115 0.169 5.614 1.00 0.00 C ATOM 333 NH1 ARG A 601 -0.876 -0.874 5.962 1.00 0.00 N ATOM 334 NH2 ARG A 601 0.342 0.978 6.571 1.00 0.00 N ATOM 0 HA ARG A 601 -2.766 -3.051 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.168 -1.369 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.736 -0.590 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.678 0.905 2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.286 -0.199 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.057 -1.445 3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.531 -0.183 2.350 1.00 0.00 H new ATOM 0 HE ARG A 601 0.743 1.273 4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -1.237 -1.503 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -1.095 -1.040 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 601 0.922 1.780 6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 601 0.111 0.794 7.547 1.00 0.00 H new ATOM 348 N ASP A 602 -0.854 -3.764 2.913 1.00 0.00 N ATOM 349 CA ASP A 602 -0.211 -4.694 3.831 1.00 0.00 C ATOM 350 C ASP A 602 1.239 -4.828 3.434 1.00 0.00 C ATOM 351 O ASP A 602 1.520 -4.720 2.249 1.00 0.00 O ATOM 352 CB ASP A 602 -0.930 -6.017 3.597 1.00 0.00 C ATOM 353 CG ASP A 602 -0.562 -7.241 4.412 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.549 -7.283 4.990 1.00 0.00 O ATOM 355 OD2 ASP A 602 -1.395 -8.169 4.304 1.00 0.00 O ATOM 0 H ASP A 602 -0.422 -3.736 1.989 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.258 -4.377 4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.994 -5.837 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.796 -6.276 2.547 1.00 0.00 H new ATOM 360 N LYS A 603 2.136 -5.150 4.366 1.00 0.00 N ATOM 361 CA LYS A 603 3.516 -5.494 4.046 1.00 0.00 C ATOM 362 C LYS A 603 3.529 -6.561 2.943 1.00 0.00 C ATOM 363 O LYS A 603 4.237 -6.400 1.948 1.00 0.00 O ATOM 364 CB LYS A 603 4.223 -6.002 5.317 1.00 0.00 C ATOM 365 CG LYS A 603 4.404 -4.977 6.453 1.00 0.00 C ATOM 366 CD LYS A 603 4.673 -5.619 7.833 1.00 0.00 C ATOM 367 CE LYS A 603 5.775 -6.691 7.815 1.00 0.00 C ATOM 368 NZ LYS A 603 6.113 -7.224 9.153 1.00 0.00 N ATOM 0 H LYS A 603 1.924 -5.179 5.363 1.00 0.00 H new ATOM 0 HA LYS A 603 4.050 -4.615 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 603 3.659 -6.849 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.207 -6.377 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 603 5.232 -4.314 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.509 -4.359 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 603 4.952 -4.837 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 603 3.750 -6.067 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 603 5.457 -7.515 7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 603 6.673 -6.268 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 7.031 -6.841 9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 5.378 -6.944 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 6.168 -8.262 9.110 1.00 0.00 H new ATOM 382 N PHE A 604 2.696 -7.603 3.072 1.00 0.00 N ATOM 383 CA PHE A 604 2.598 -8.664 2.075 1.00 0.00 C ATOM 384 C PHE A 604 2.203 -8.113 0.701 1.00 0.00 C ATOM 385 O PHE A 604 2.848 -8.445 -0.291 1.00 0.00 O ATOM 386 CB PHE A 604 1.615 -9.747 2.551 1.00 0.00 C ATOM 387 CG PHE A 604 1.909 -10.353 3.917 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.230 -10.638 4.319 1.00 0.00 C ATOM 389 CD2 PHE A 604 0.849 -10.627 4.804 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.487 -11.162 5.596 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.105 -11.167 6.077 1.00 0.00 C ATOM 392 CZ PHE A 604 2.426 -11.432 6.476 1.00 0.00 C ATOM 0 H PHE A 604 2.075 -7.729 3.871 1.00 0.00 H new ATOM 0 HA PHE A 604 3.582 -9.118 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.613 -9.318 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.602 -10.549 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.049 -10.452 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 604 -0.168 -10.421 4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.504 -11.358 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.286 -11.378 6.748 1.00 0.00 H new ATOM 0 HZ PHE A 604 2.625 -11.842 7.455 1.00 0.00 H new ATOM 402 N ARG A 605 1.177 -7.253 0.627 1.00 0.00 N ATOM 403 CA ARG A 605 0.779 -6.624 -0.632 1.00 0.00 C ATOM 404 C ARG A 605 1.873 -5.676 -1.132 1.00 0.00 C ATOM 405 O ARG A 605 2.210 -5.735 -2.306 1.00 0.00 O ATOM 406 CB ARG A 605 -0.574 -5.895 -0.515 1.00 0.00 C ATOM 407 CG ARG A 605 -1.809 -6.823 -0.585 1.00 0.00 C ATOM 408 CD ARG A 605 -2.243 -7.297 0.806 1.00 0.00 C ATOM 409 NE ARG A 605 -3.582 -7.899 0.851 1.00 0.00 N ATOM 410 CZ ARG A 605 -4.349 -7.797 1.950 1.00 0.00 C ATOM 411 NH1 ARG A 605 -3.846 -7.717 3.182 1.00 0.00 N ATOM 412 NH2 ARG A 605 -5.669 -7.703 1.839 1.00 0.00 N ATOM 0 H ARG A 605 0.609 -6.979 1.429 1.00 0.00 H new ATOM 0 HA ARG A 605 0.648 -7.420 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.598 -5.349 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.645 -5.156 -1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.634 -6.295 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.580 -7.687 -1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.518 -8.025 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.216 -6.449 1.490 1.00 0.00 H new ATOM 0 HE ARG A 605 -3.935 -8.402 0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.836 -7.732 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -4.471 -7.641 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -6.105 -7.708 0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -6.247 -7.626 2.676 1.00 0.00 H new ATOM 426 N LEU A 606 2.466 -4.844 -0.270 1.00 0.00 N ATOM 427 CA LEU A 606 3.484 -3.872 -0.627 1.00 0.00 C ATOM 428 C LEU A 606 4.638 -4.585 -1.329 1.00 0.00 C ATOM 429 O LEU A 606 5.123 -4.081 -2.340 1.00 0.00 O ATOM 430 CB LEU A 606 3.948 -3.075 0.610 1.00 0.00 C ATOM 431 CG LEU A 606 2.937 -2.059 1.205 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.596 -1.345 2.391 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.489 -1.023 0.166 1.00 0.00 C ATOM 0 H LEU A 606 2.238 -4.834 0.724 1.00 0.00 H new ATOM 0 HA LEU A 606 3.065 -3.142 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.216 -3.786 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.857 -2.535 0.345 1.00 0.00 H new ATOM 0 HG LEU A 606 2.051 -2.605 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.896 -0.628 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.873 -2.078 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.489 -0.821 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.782 -0.331 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 606 3.357 -0.470 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 606 2.010 -1.531 -0.671 1.00 0.00 H new ATOM 445 N LEU A 607 5.016 -5.782 -0.851 1.00 0.00 N ATOM 446 CA LEU A 607 5.976 -6.610 -1.563 1.00 0.00 C ATOM 447 C LEU A 607 5.373 -7.153 -2.866 1.00 0.00 C ATOM 448 O LEU A 607 5.990 -7.038 -3.924 1.00 0.00 O ATOM 449 CB LEU A 607 6.517 -7.760 -0.681 1.00 0.00 C ATOM 450 CG LEU A 607 7.603 -8.598 -1.400 1.00 0.00 C ATOM 451 CD1 LEU A 607 8.996 -8.061 -1.080 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.516 -10.080 -1.014 1.00 0.00 C ATOM 0 H LEU A 607 4.669 -6.187 0.019 1.00 0.00 H new ATOM 0 HA LEU A 607 6.824 -5.974 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.932 -7.345 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.692 -8.411 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 607 7.424 -8.513 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.745 -8.663 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.072 -7.026 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.167 -8.110 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.293 -10.638 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.656 -10.185 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.538 -10.472 -1.292 1.00 0.00 H new ATOM 464 N LEU A 608 4.205 -7.802 -2.796 1.00 0.00 N ATOM 465 CA LEU A 608 3.708 -8.670 -3.853 1.00 0.00 C ATOM 466 C LEU A 608 3.380 -7.867 -5.104 1.00 0.00 C ATOM 467 O LEU A 608 3.601 -8.334 -6.217 1.00 0.00 O ATOM 468 CB LEU A 608 2.470 -9.406 -3.316 1.00 0.00 C ATOM 469 CG LEU A 608 1.823 -10.385 -4.307 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.768 -11.537 -4.663 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.536 -10.955 -3.697 1.00 0.00 C ATOM 0 H LEU A 608 3.578 -7.734 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 608 4.471 -9.394 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.752 -9.954 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.726 -8.667 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 608 1.598 -9.836 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.275 -12.208 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.674 -11.137 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 608 3.029 -12.087 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 608 0.077 -11.650 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.773 -11.479 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.158 -10.141 -3.485 1.00 0.00 H new ATOM 483 N GLU A 609 2.870 -6.654 -4.917 1.00 0.00 N ATOM 484 CA GLU A 609 2.479 -5.751 -5.974 1.00 0.00 C ATOM 485 C GLU A 609 3.727 -5.291 -6.741 1.00 0.00 C ATOM 486 O GLU A 609 3.715 -5.304 -7.969 1.00 0.00 O ATOM 487 CB GLU A 609 1.629 -4.631 -5.362 1.00 0.00 C ATOM 488 CG GLU A 609 0.357 -5.202 -4.684 1.00 0.00 C ATOM 489 CD GLU A 609 -0.690 -5.765 -5.651 1.00 0.00 C ATOM 490 OE1 GLU A 609 -1.121 -5.058 -6.583 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.050 -6.955 -5.489 1.00 0.00 O ATOM 0 H GLU A 609 2.715 -6.266 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 609 1.851 -6.232 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.220 -4.081 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.343 -3.921 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.654 -5.991 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 609 -0.105 -4.414 -4.089 1.00 0.00 H new ATOM 498 N LEU A 610 4.856 -5.042 -6.061 1.00 0.00 N ATOM 499 CA LEU A 610 6.108 -4.765 -6.766 1.00 0.00 C ATOM 500 C LEU A 610 6.566 -5.983 -7.563 1.00 0.00 C ATOM 501 O LEU A 610 7.094 -5.813 -8.658 1.00 0.00 O ATOM 502 CB LEU A 610 7.233 -4.360 -5.794 1.00 0.00 C ATOM 503 CG LEU A 610 7.107 -2.989 -5.102 1.00 0.00 C ATOM 504 CD1 LEU A 610 7.987 -3.003 -3.850 1.00 0.00 C ATOM 505 CD2 LEU A 610 7.593 -1.818 -5.962 1.00 0.00 C ATOM 0 H LEU A 610 4.925 -5.027 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 610 5.908 -3.934 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.302 -5.124 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.175 -4.376 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 610 6.047 -2.843 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.914 -2.041 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 610 7.652 -3.794 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 610 9.023 -3.184 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 610 7.474 -0.886 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 610 8.645 -1.961 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 610 7.007 -1.773 -6.880 1.00 0.00 H new ATOM 517 N ILE A 611 6.354 -7.208 -7.061 1.00 0.00 N ATOM 518 CA ILE A 611 6.706 -8.410 -7.817 1.00 0.00 C ATOM 519 C ILE A 611 5.918 -8.407 -9.129 1.00 0.00 C ATOM 520 O ILE A 611 6.529 -8.607 -10.173 1.00 0.00 O ATOM 521 CB ILE A 611 6.530 -9.733 -7.025 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.359 -9.735 -5.724 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.983 -10.944 -7.870 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.002 -10.863 -4.755 1.00 0.00 C ATOM 0 H ILE A 611 5.945 -7.388 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 611 7.775 -8.374 -8.026 1.00 0.00 H new ATOM 0 HB ILE A 611 5.470 -9.808 -6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.416 -9.812 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.222 -8.779 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.850 -11.860 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.384 -10.997 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 611 8.034 -10.831 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.630 -10.792 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.954 -10.777 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.167 -11.825 -5.240 1.00 0.00 H new ATOM 536 N LYS A 612 4.606 -8.129 -9.117 1.00 0.00 N ATOM 537 CA LYS A 612 3.801 -8.250 -10.340 1.00 0.00 C ATOM 538 C LYS A 612 4.102 -7.085 -11.269 1.00 0.00 C ATOM 539 O LYS A 612 4.151 -7.279 -12.483 1.00 0.00 O ATOM 540 CB LYS A 612 2.280 -8.381 -10.110 1.00 0.00 C ATOM 541 CG LYS A 612 1.706 -7.446 -9.046 1.00 0.00 C ATOM 542 CD LYS A 612 0.182 -7.358 -9.000 1.00 0.00 C ATOM 543 CE LYS A 612 -0.436 -8.587 -8.329 1.00 0.00 C ATOM 544 NZ LYS A 612 -1.729 -8.248 -7.700 1.00 0.00 N ATOM 0 H LYS A 612 4.089 -7.825 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 612 4.097 -9.194 -10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.767 -8.192 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.058 -9.410 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 612 2.063 -7.773 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.105 -6.446 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.114 -6.460 -8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.208 -7.262 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.582 -9.375 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.248 -8.978 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -2.400 -9.029 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 -1.590 -8.094 -6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -2.109 -7.382 -8.132 1.00 0.00 H new ATOM 558 N GLU A 613 4.326 -5.888 -10.713 1.00 0.00 N ATOM 559 CA GLU A 613 4.519 -4.700 -11.520 1.00 0.00 C ATOM 560 C GLU A 613 5.876 -4.705 -12.224 1.00 0.00 C ATOM 561 O GLU A 613 6.048 -3.980 -13.200 1.00 0.00 O ATOM 562 CB GLU A 613 4.175 -3.426 -10.734 1.00 0.00 C ATOM 563 CG GLU A 613 5.346 -2.829 -9.961 1.00 0.00 C ATOM 564 CD GLU A 613 4.880 -1.703 -9.026 1.00 0.00 C ATOM 565 OE1 GLU A 613 4.788 -0.554 -9.514 1.00 0.00 O ATOM 566 OE2 GLU A 613 4.612 -1.988 -7.836 1.00 0.00 O ATOM 0 H GLU A 613 4.376 -5.727 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 613 3.802 -4.709 -12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 613 3.794 -2.677 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.370 -3.651 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 613 5.836 -3.609 -9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.087 -2.441 -10.660 1.00 0.00 H new ATOM 573 N TYR A 614 6.803 -5.565 -11.778 1.00 0.00 N ATOM 574 CA TYR A 614 8.140 -5.695 -12.335 1.00 0.00 C ATOM 575 C TYR A 614 8.325 -7.041 -13.034 1.00 0.00 C ATOM 576 O TYR A 614 9.146 -7.127 -13.944 1.00 0.00 O ATOM 577 CB TYR A 614 9.194 -5.447 -11.240 1.00 0.00 C ATOM 578 CG TYR A 614 9.551 -3.987 -10.942 1.00 0.00 C ATOM 579 CD1 TYR A 614 8.831 -2.904 -11.495 1.00 0.00 C ATOM 580 CD2 TYR A 614 10.672 -3.705 -10.133 1.00 0.00 C ATOM 581 CE1 TYR A 614 9.214 -1.576 -11.255 1.00 0.00 C ATOM 582 CE2 TYR A 614 11.070 -2.374 -9.895 1.00 0.00 C ATOM 583 CZ TYR A 614 10.341 -1.300 -10.457 1.00 0.00 C ATOM 584 OH TYR A 614 10.708 -0.002 -10.264 1.00 0.00 O ATOM 0 H TYR A 614 6.631 -6.202 -11.000 1.00 0.00 H new ATOM 0 HA TYR A 614 8.277 -4.934 -13.103 1.00 0.00 H new ATOM 0 HB2 TYR A 614 8.839 -5.905 -10.317 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.108 -5.969 -11.524 1.00 0.00 H new ATOM 0 HD1 TYR A 614 7.969 -3.103 -12.115 1.00 0.00 H new ATOM 0 HD2 TYR A 614 11.231 -4.517 -9.692 1.00 0.00 H new ATOM 0 HE1 TYR A 614 8.644 -0.764 -11.683 1.00 0.00 H new ATOM 0 HE2 TYR A 614 11.935 -2.173 -9.281 1.00 0.00 H new ATOM 0 HH TYR A 614 10.871 0.154 -9.310 1.00 0.00 H new ATOM 594 N GLU A 615 7.527 -8.060 -12.687 1.00 0.00 N ATOM 595 CA GLU A 615 7.456 -9.321 -13.403 1.00 0.00 C ATOM 596 C GLU A 615 7.218 -9.068 -14.888 1.00 0.00 C ATOM 597 O GLU A 615 8.049 -9.459 -15.707 1.00 0.00 O ATOM 598 CB GLU A 615 6.362 -10.234 -12.819 1.00 0.00 C ATOM 599 CG GLU A 615 6.910 -11.332 -11.891 1.00 0.00 C ATOM 600 CD GLU A 615 5.844 -12.359 -11.496 1.00 0.00 C ATOM 601 OE1 GLU A 615 4.743 -11.946 -11.084 1.00 0.00 O ATOM 602 OE2 GLU A 615 6.142 -13.577 -11.584 1.00 0.00 O ATOM 0 H GLU A 615 6.903 -8.020 -11.881 1.00 0.00 H new ATOM 0 HA GLU A 615 8.409 -9.836 -13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.648 -9.624 -12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 615 5.814 -10.701 -13.638 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.735 -11.843 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.316 -10.871 -10.990 1.00 0.00 H new ATOM 609 N ASP A 616 6.101 -8.425 -15.242 1.00 0.00 N ATOM 610 CA ASP A 616 5.644 -8.337 -16.627 1.00 0.00 C ATOM 611 C ASP A 616 6.682 -7.622 -17.489 1.00 0.00 C ATOM 612 O ASP A 616 6.915 -8.005 -18.633 1.00 0.00 O ATOM 613 CB ASP A 616 4.288 -7.625 -16.682 1.00 0.00 C ATOM 614 CG ASP A 616 3.682 -7.687 -18.087 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.371 -8.820 -18.518 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.502 -6.606 -18.689 1.00 0.00 O ATOM 0 H ASP A 616 5.491 -7.952 -14.575 1.00 0.00 H new ATOM 0 HA ASP A 616 5.520 -9.343 -17.028 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.604 -8.085 -15.968 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.409 -6.584 -16.382 1.00 0.00 H new ATOM 621 N ASP A 617 7.385 -6.656 -16.889 1.00 0.00 N ATOM 622 CA ASP A 617 8.433 -5.886 -17.538 1.00 0.00 C ATOM 623 C ASP A 617 9.654 -6.745 -17.857 1.00 0.00 C ATOM 624 O ASP A 617 10.247 -6.632 -18.929 1.00 0.00 O ATOM 625 CB ASP A 617 8.835 -4.739 -16.616 1.00 0.00 C ATOM 626 CG ASP A 617 9.815 -3.782 -17.297 1.00 0.00 C ATOM 627 OD1 ASP A 617 9.371 -3.067 -18.223 1.00 0.00 O ATOM 628 OD2 ASP A 617 10.991 -3.767 -16.869 1.00 0.00 O ATOM 0 H ASP A 617 7.232 -6.387 -15.917 1.00 0.00 H new ATOM 0 HA ASP A 617 8.049 -5.503 -18.484 1.00 0.00 H new ATOM 0 HB2 ASP A 617 7.945 -4.190 -16.309 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.289 -5.142 -15.711 1.00 0.00 H new ATOM 633 N TYR A 618 10.006 -7.639 -16.928 1.00 0.00 N ATOM 634 CA TYR A 618 11.101 -8.586 -17.078 1.00 0.00 C ATOM 635 C TYR A 618 10.642 -9.854 -17.811 1.00 0.00 C ATOM 636 O TYR A 618 11.466 -10.718 -18.115 1.00 0.00 O ATOM 637 CB TYR A 618 11.656 -8.897 -15.684 1.00 0.00 C ATOM 638 CG TYR A 618 12.894 -8.120 -15.289 1.00 0.00 C ATOM 639 CD1 TYR A 618 12.767 -6.851 -14.691 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.172 -8.676 -15.492 1.00 0.00 C ATOM 641 CE1 TYR A 618 13.913 -6.145 -14.284 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.323 -7.974 -15.093 1.00 0.00 C ATOM 643 CZ TYR A 618 15.196 -6.705 -14.480 1.00 0.00 C ATOM 644 OH TYR A 618 16.302 -6.025 -14.064 1.00 0.00 O ATOM 0 H TYR A 618 9.523 -7.721 -16.033 1.00 0.00 H new ATOM 0 HA TYR A 618 11.891 -8.152 -17.691 1.00 0.00 H new ATOM 0 HB2 TYR A 618 10.875 -8.702 -14.949 1.00 0.00 H new ATOM 0 HB3 TYR A 618 11.884 -9.962 -15.632 1.00 0.00 H new ATOM 0 HD1 TYR A 618 11.788 -6.420 -14.545 1.00 0.00 H new ATOM 0 HD2 TYR A 618 14.268 -9.646 -15.956 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.813 -5.174 -13.821 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.301 -8.402 -15.254 1.00 0.00 H new ATOM 0 HH TYR A 618 17.105 -6.547 -14.272 1.00 0.00 H new ATOM 654 N GLY A 619 9.340 -9.973 -18.097 1.00 0.00 N ATOM 655 CA GLY A 619 8.761 -11.084 -18.855 1.00 0.00 C ATOM 656 C GLY A 619 8.310 -12.244 -17.964 1.00 0.00 C ATOM 657 O GLY A 619 8.114 -13.360 -18.443 1.00 0.00 O ATOM 0 H GLY A 619 8.647 -9.285 -17.801 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.908 -10.720 -19.428 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.495 -11.449 -19.573 1.00 0.00 H new ATOM 661 N GLY A 620 8.150 -11.980 -16.667 1.00 0.00 N ATOM 662 CA GLY A 620 7.555 -12.843 -15.663 1.00 0.00 C ATOM 663 C GLY A 620 8.562 -13.301 -14.610 1.00 0.00 C ATOM 664 O GLY A 620 8.500 -14.451 -14.169 1.00 0.00 O ATOM 0 H GLY A 620 8.457 -11.093 -16.269 1.00 0.00 H new ATOM 0 HA2 GLY A 620 6.738 -12.314 -15.173 1.00 0.00 H new ATOM 0 HA3 GLY A 620 7.122 -13.717 -16.151 1.00 0.00 H new ATOM 668 N ARG A 621 9.485 -12.419 -14.216 1.00 0.00 N ATOM 669 CA ARG A 621 10.538 -12.636 -13.225 1.00 0.00 C ATOM 670 C ARG A 621 10.826 -11.265 -12.593 1.00 0.00 C ATOM 671 O ARG A 621 10.689 -10.283 -13.302 1.00 0.00 O ATOM 672 CB ARG A 621 11.734 -13.189 -14.020 1.00 0.00 C ATOM 673 CG ARG A 621 12.955 -13.543 -13.174 1.00 0.00 C ATOM 674 CD ARG A 621 14.155 -13.927 -14.053 1.00 0.00 C ATOM 675 NE ARG A 621 13.899 -15.141 -14.854 1.00 0.00 N ATOM 676 CZ ARG A 621 14.116 -16.411 -14.481 1.00 0.00 C ATOM 677 NH1 ARG A 621 14.657 -16.682 -13.296 1.00 0.00 N ATOM 678 NH2 ARG A 621 13.787 -17.415 -15.292 1.00 0.00 N ATOM 0 H ARG A 621 9.517 -11.477 -14.606 1.00 0.00 H new ATOM 0 HA ARG A 621 10.288 -13.332 -12.424 1.00 0.00 H new ATOM 0 HB2 ARG A 621 11.413 -14.080 -14.560 1.00 0.00 H new ATOM 0 HB3 ARG A 621 12.028 -12.452 -14.767 1.00 0.00 H new ATOM 0 HG2 ARG A 621 13.221 -12.694 -12.544 1.00 0.00 H new ATOM 0 HG3 ARG A 621 12.710 -14.371 -12.508 1.00 0.00 H new ATOM 0 HD2 ARG A 621 14.394 -13.098 -14.720 1.00 0.00 H new ATOM 0 HD3 ARG A 621 15.028 -14.089 -13.421 1.00 0.00 H new ATOM 0 HE ARG A 621 13.517 -14.999 -15.789 1.00 0.00 H new ATOM 0 HH11 ARG A 621 14.909 -15.922 -12.665 1.00 0.00 H new ATOM 0 HH12 ARG A 621 14.819 -17.650 -13.019 1.00 0.00 H new ATOM 0 HH21 ARG A 621 13.368 -17.220 -16.201 1.00 0.00 H new ATOM 0 HH22 ARG A 621 13.954 -18.379 -15.004 1.00 0.00 H new ATOM 692 N ALA A 622 11.219 -11.138 -11.322 1.00 0.00 N ATOM 693 CA ALA A 622 11.405 -9.828 -10.675 1.00 0.00 C ATOM 694 C ALA A 622 12.616 -9.844 -9.724 1.00 0.00 C ATOM 695 O ALA A 622 12.644 -10.682 -8.828 1.00 0.00 O ATOM 696 CB ALA A 622 10.129 -9.451 -9.916 1.00 0.00 C ATOM 0 H ALA A 622 11.417 -11.932 -10.713 1.00 0.00 H new ATOM 0 HA ALA A 622 11.602 -9.082 -11.444 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.264 -8.482 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 622 9.293 -9.397 -10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.921 -10.205 -9.157 1.00 0.00 H new ATOM 702 N PRO A 623 13.631 -8.974 -9.887 1.00 0.00 N ATOM 703 CA PRO A 623 14.873 -9.029 -9.113 1.00 0.00 C ATOM 704 C PRO A 623 14.656 -8.728 -7.622 1.00 0.00 C ATOM 705 O PRO A 623 14.246 -7.628 -7.245 1.00 0.00 O ATOM 706 CB PRO A 623 15.835 -8.045 -9.781 1.00 0.00 C ATOM 707 CG PRO A 623 14.933 -7.101 -10.574 1.00 0.00 C ATOM 708 CD PRO A 623 13.680 -7.907 -10.872 1.00 0.00 C ATOM 0 HA PRO A 623 15.287 -10.037 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.424 -7.502 -9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.540 -8.561 -10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.698 -6.205 -9.999 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.418 -6.772 -11.493 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.791 -7.279 -10.808 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.712 -8.314 -11.883 1.00 0.00 H new ATOM 716 N THR A 624 14.977 -9.701 -6.766 1.00 0.00 N ATOM 717 CA THR A 624 14.752 -9.715 -5.325 1.00 0.00 C ATOM 718 C THR A 624 15.527 -8.576 -4.657 1.00 0.00 C ATOM 719 O THR A 624 15.011 -7.903 -3.765 1.00 0.00 O ATOM 720 CB THR A 624 15.163 -11.105 -4.790 1.00 0.00 C ATOM 721 OG1 THR A 624 14.587 -12.083 -5.632 1.00 0.00 O ATOM 722 CG2 THR A 624 14.697 -11.341 -3.355 1.00 0.00 C ATOM 0 H THR A 624 15.431 -10.556 -7.086 1.00 0.00 H new ATOM 0 HA THR A 624 13.700 -9.549 -5.092 1.00 0.00 H new ATOM 0 HB THR A 624 16.251 -11.164 -4.787 1.00 0.00 H new ATOM 0 HG1 THR A 624 15.140 -12.892 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.012 -12.332 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.136 -10.587 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.610 -11.272 -3.309 1.00 0.00 H new ATOM 730 N ASN A 625 16.744 -8.302 -5.145 1.00 0.00 N ATOM 731 CA ASN A 625 17.549 -7.187 -4.667 1.00 0.00 C ATOM 732 C ASN A 625 16.850 -5.844 -4.890 1.00 0.00 C ATOM 733 O ASN A 625 16.896 -4.953 -4.034 1.00 0.00 O ATOM 734 CB ASN A 625 18.899 -7.173 -5.394 1.00 0.00 C ATOM 735 CG ASN A 625 19.751 -5.977 -4.977 1.00 0.00 C ATOM 736 OD1 ASN A 625 20.036 -5.110 -5.791 1.00 0.00 O ATOM 737 ND2 ASN A 625 20.163 -5.900 -3.718 1.00 0.00 N ATOM 0 H ASN A 625 17.191 -8.850 -5.880 1.00 0.00 H new ATOM 0 HA ASN A 625 17.695 -7.324 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 625 19.438 -8.096 -5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 625 18.732 -7.144 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.728 -5.107 -3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.915 -6.634 -3.054 1.00 0.00 H new ATOM 744 N ILE A 626 16.213 -5.691 -6.054 1.00 0.00 N ATOM 745 CA ILE A 626 15.536 -4.458 -6.389 1.00 0.00 C ATOM 746 C ILE A 626 14.225 -4.401 -5.610 1.00 0.00 C ATOM 747 O ILE A 626 13.914 -3.342 -5.094 1.00 0.00 O ATOM 748 CB ILE A 626 15.348 -4.349 -7.909 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.674 -4.460 -8.702 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.619 -3.055 -8.273 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.741 -3.411 -8.360 1.00 0.00 C ATOM 0 H ILE A 626 16.158 -6.412 -6.773 1.00 0.00 H new ATOM 0 HA ILE A 626 16.133 -3.593 -6.101 1.00 0.00 H new ATOM 0 HB ILE A 626 14.738 -5.204 -8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 626 17.096 -5.450 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 626 16.447 -4.388 -9.766 1.00 0.00 H new ATOM 0 HG21 ILE A 626 14.497 -2.998 -9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.639 -3.043 -7.796 1.00 0.00 H new ATOM 0 HG23 ILE A 626 15.201 -2.200 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.627 -3.580 -8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 626 17.348 -2.414 -8.559 1.00 0.00 H new ATOM 0 HD13 ILE A 626 18.007 -3.493 -7.306 1.00 0.00 H new ATOM 763 N LEU A 627 13.502 -5.515 -5.438 1.00 0.00 N ATOM 764 CA LEU A 627 12.324 -5.578 -4.569 1.00 0.00 C ATOM 765 C LEU A 627 12.623 -5.043 -3.168 1.00 0.00 C ATOM 766 O LEU A 627 11.854 -4.232 -2.658 1.00 0.00 O ATOM 767 CB LEU A 627 11.808 -7.026 -4.500 1.00 0.00 C ATOM 768 CG LEU A 627 10.758 -7.293 -5.589 1.00 0.00 C ATOM 769 CD1 LEU A 627 10.915 -8.672 -6.229 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.389 -7.132 -4.948 1.00 0.00 C ATOM 0 H LEU A 627 13.719 -6.398 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 627 11.551 -4.940 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.642 -7.718 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.374 -7.214 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 627 10.889 -6.581 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.148 -8.809 -6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 627 11.901 -8.750 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 627 10.808 -9.442 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.615 -7.315 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.283 -7.847 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.286 -6.119 -4.559 1.00 0.00 H new ATOM 782 N ILE A 628 13.742 -5.464 -2.567 1.00 0.00 N ATOM 783 CA ILE A 628 14.202 -4.950 -1.274 1.00 0.00 C ATOM 784 C ILE A 628 14.413 -3.438 -1.392 1.00 0.00 C ATOM 785 O ILE A 628 13.775 -2.661 -0.676 1.00 0.00 O ATOM 786 CB ILE A 628 15.463 -5.716 -0.800 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.103 -7.180 -0.454 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.108 -5.039 0.423 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.319 -8.109 -0.338 1.00 0.00 C ATOM 0 H ILE A 628 14.356 -6.174 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 628 13.450 -5.118 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 628 16.183 -5.702 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.555 -7.196 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.432 -7.570 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 628 16.989 -5.603 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.400 -4.021 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.392 -5.013 1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 628 15.985 -9.117 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.856 -8.125 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 628 16.981 -7.746 0.448 1.00 0.00 H new ATOM 801 N THR A 629 15.299 -3.041 -2.310 1.00 0.00 N ATOM 802 CA THR A 629 15.714 -1.661 -2.522 1.00 0.00 C ATOM 803 C THR A 629 14.485 -0.755 -2.690 1.00 0.00 C ATOM 804 O THR A 629 14.316 0.203 -1.940 1.00 0.00 O ATOM 805 CB THR A 629 16.676 -1.605 -3.725 1.00 0.00 C ATOM 806 OG1 THR A 629 17.738 -2.532 -3.565 1.00 0.00 O ATOM 807 CG2 THR A 629 17.300 -0.215 -3.886 1.00 0.00 C ATOM 0 H THR A 629 15.759 -3.695 -2.943 1.00 0.00 H new ATOM 0 HA THR A 629 16.253 -1.285 -1.652 1.00 0.00 H new ATOM 0 HB THR A 629 16.082 -1.848 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.441 -3.422 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.972 -0.215 -4.744 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.512 0.522 -4.042 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.861 0.039 -2.986 1.00 0.00 H new ATOM 815 N GLU A 630 13.596 -1.092 -3.625 1.00 0.00 N ATOM 816 CA GLU A 630 12.357 -0.390 -3.919 1.00 0.00 C ATOM 817 C GLU A 630 11.474 -0.351 -2.678 1.00 0.00 C ATOM 818 O GLU A 630 11.004 0.721 -2.322 1.00 0.00 O ATOM 819 CB GLU A 630 11.621 -1.078 -5.081 1.00 0.00 C ATOM 820 CG GLU A 630 12.342 -0.958 -6.432 1.00 0.00 C ATOM 821 CD GLU A 630 12.157 0.373 -7.168 1.00 0.00 C ATOM 822 OE1 GLU A 630 12.026 1.436 -6.519 1.00 0.00 O ATOM 823 OE2 GLU A 630 12.163 0.331 -8.417 1.00 0.00 O ATOM 0 H GLU A 630 13.733 -1.905 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 630 12.590 0.633 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.491 -2.134 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.624 -0.647 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 630 13.408 -1.117 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.995 -1.762 -7.081 1.00 0.00 H new ATOM 830 N MET A 631 11.274 -1.464 -1.964 1.00 0.00 N ATOM 831 CA MET A 631 10.450 -1.443 -0.759 1.00 0.00 C ATOM 832 C MET A 631 10.963 -0.409 0.257 1.00 0.00 C ATOM 833 O MET A 631 10.145 0.290 0.868 1.00 0.00 O ATOM 834 CB MET A 631 10.414 -2.831 -0.117 1.00 0.00 C ATOM 835 CG MET A 631 9.403 -3.782 -0.753 1.00 0.00 C ATOM 836 SD MET A 631 7.687 -3.431 -0.292 1.00 0.00 S ATOM 837 CE MET A 631 7.589 -4.328 1.269 1.00 0.00 C ATOM 0 H MET A 631 11.666 -2.376 -2.198 1.00 0.00 H new ATOM 0 HA MET A 631 9.441 -1.155 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.407 -3.276 -0.182 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.181 -2.724 0.942 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.497 -3.727 -1.837 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.646 -4.804 -0.463 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.596 -4.201 1.700 1.00 0.00 H new ATOM 0 HE2 MET A 631 7.775 -5.387 1.092 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.337 -3.939 1.960 1.00 0.00 H new ATOM 847 N MET A 632 12.289 -0.256 0.420 1.00 0.00 N ATOM 848 CA MET A 632 12.812 0.806 1.286 1.00 0.00 C ATOM 849 C MET A 632 12.597 2.188 0.658 1.00 0.00 C ATOM 850 O MET A 632 12.305 3.143 1.372 1.00 0.00 O ATOM 851 CB MET A 632 14.294 0.622 1.680 1.00 0.00 C ATOM 852 CG MET A 632 14.944 -0.722 1.331 1.00 0.00 C ATOM 853 SD MET A 632 16.670 -0.924 1.844 1.00 0.00 S ATOM 854 CE MET A 632 16.463 -0.837 3.634 1.00 0.00 C ATOM 0 H MET A 632 12.998 -0.839 -0.025 1.00 0.00 H new ATOM 0 HA MET A 632 12.238 0.734 2.210 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.872 1.413 1.202 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.380 0.771 2.756 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.354 -1.518 1.786 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.887 -0.861 0.251 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.046 -1.628 4.107 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.808 0.132 3.994 1.00 0.00 H new ATOM 0 HE3 MET A 632 15.410 -0.963 3.885 1.00 0.00 H new ATOM 864 N ASP A 633 12.711 2.310 -0.666 1.00 0.00 N ATOM 865 CA ASP A 633 12.751 3.597 -1.363 1.00 0.00 C ATOM 866 C ASP A 633 11.354 4.154 -1.643 1.00 0.00 C ATOM 867 O ASP A 633 11.185 5.323 -1.989 1.00 0.00 O ATOM 868 CB ASP A 633 13.498 3.411 -2.693 1.00 0.00 C ATOM 869 CG ASP A 633 14.309 4.653 -3.083 1.00 0.00 C ATOM 870 OD1 ASP A 633 15.128 5.100 -2.254 1.00 0.00 O ATOM 871 OD2 ASP A 633 14.102 5.144 -4.222 1.00 0.00 O ATOM 0 H ASP A 633 12.779 1.508 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 633 13.262 4.312 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 633 14.166 2.553 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.780 3.186 -3.482 1.00 0.00 H new ATOM 876 N ARG A 634 10.347 3.288 -1.526 1.00 0.00 N ATOM 877 CA ARG A 634 8.970 3.536 -1.929 1.00 0.00 C ATOM 878 C ARG A 634 8.057 3.451 -0.714 1.00 0.00 C ATOM 879 O ARG A 634 7.075 4.186 -0.647 1.00 0.00 O ATOM 880 CB ARG A 634 8.572 2.492 -2.989 1.00 0.00 C ATOM 881 CG ARG A 634 9.497 2.475 -4.220 1.00 0.00 C ATOM 882 CD ARG A 634 9.273 3.598 -5.233 1.00 0.00 C ATOM 883 NE ARG A 634 10.478 3.685 -6.066 1.00 0.00 N ATOM 884 CZ ARG A 634 11.573 4.383 -5.749 1.00 0.00 C ATOM 885 NH1 ARG A 634 11.559 5.429 -4.926 1.00 0.00 N ATOM 886 NH2 ARG A 634 12.745 3.958 -6.192 1.00 0.00 N ATOM 0 H ARG A 634 10.478 2.357 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 634 8.873 4.534 -2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.574 1.503 -2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.551 2.690 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 634 10.530 2.522 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.374 1.520 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 634 8.396 3.392 -5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 634 9.090 4.544 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 634 10.480 3.176 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 634 10.682 5.733 -4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 634 12.425 5.926 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 634 12.799 3.114 -6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 634 13.594 4.474 -5.963 1.00 0.00 H new ATOM 900 N TYR A 635 8.390 2.584 0.253 1.00 0.00 N ATOM 901 CA TYR A 635 7.546 2.296 1.402 1.00 0.00 C ATOM 902 C TYR A 635 8.321 2.304 2.729 1.00 0.00 C ATOM 903 O TYR A 635 7.732 2.017 3.771 1.00 0.00 O ATOM 904 CB TYR A 635 6.833 0.961 1.153 1.00 0.00 C ATOM 905 CG TYR A 635 6.017 0.874 -0.132 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.992 1.803 -0.402 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.299 -0.133 -1.076 1.00 0.00 C ATOM 908 CE1 TYR A 635 4.265 1.729 -1.606 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.564 -0.230 -2.271 1.00 0.00 C ATOM 910 CZ TYR A 635 4.545 0.710 -2.545 1.00 0.00 C ATOM 911 OH TYR A 635 3.823 0.639 -3.699 1.00 0.00 O ATOM 0 H TYR A 635 9.266 2.061 0.251 1.00 0.00 H new ATOM 0 HA TYR A 635 6.808 3.091 1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.581 0.168 1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.171 0.762 1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.763 2.575 0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 635 7.091 -0.841 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.491 2.453 -1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.777 -1.020 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 635 4.140 -0.116 -4.237 1.00 0.00 H new ATOM 921 N ASN A 636 9.616 2.661 2.717 1.00 0.00 N ATOM 922 CA ASN A 636 10.473 2.811 3.903 1.00 0.00 C ATOM 923 C ASN A 636 10.627 1.503 4.706 1.00 0.00 C ATOM 924 O ASN A 636 10.918 1.531 5.904 1.00 0.00 O ATOM 925 CB ASN A 636 9.990 4.011 4.744 1.00 0.00 C ATOM 926 CG ASN A 636 11.102 4.721 5.520 1.00 0.00 C ATOM 927 OD1 ASN A 636 11.317 5.914 5.351 1.00 0.00 O ATOM 928 ND2 ASN A 636 11.816 4.026 6.392 1.00 0.00 N ATOM 0 H ASN A 636 10.112 2.860 1.848 1.00 0.00 H new ATOM 0 HA ASN A 636 11.488 3.031 3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 636 9.506 4.731 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.234 3.665 5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 636 12.552 4.484 6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 636 11.630 3.032 6.527 1.00 0.00 H new ATOM 935 N VAL A 637 10.419 0.344 4.074 1.00 0.00 N ATOM 936 CA VAL A 637 10.499 -0.949 4.746 1.00 0.00 C ATOM 937 C VAL A 637 11.974 -1.381 4.807 1.00 0.00 C ATOM 938 O VAL A 637 12.639 -1.449 3.774 1.00 0.00 O ATOM 939 CB VAL A 637 9.599 -1.968 4.016 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.481 -3.271 4.809 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.167 -1.444 3.816 1.00 0.00 C ATOM 0 H VAL A 637 10.191 0.280 3.082 1.00 0.00 H new ATOM 0 HA VAL A 637 10.131 -0.886 5.770 1.00 0.00 H new ATOM 0 HB VAL A 637 10.076 -2.135 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 637 8.841 -3.969 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.470 -3.710 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.048 -3.064 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.573 -2.197 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.718 -1.232 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.193 -0.531 3.221 1.00 0.00 H new ATOM 951 N SER A 638 12.492 -1.655 6.012 1.00 0.00 N ATOM 952 CA SER A 638 13.844 -2.131 6.273 1.00 0.00 C ATOM 953 C SER A 638 14.091 -3.464 5.567 1.00 0.00 C ATOM 954 O SER A 638 13.171 -4.265 5.439 1.00 0.00 O ATOM 955 CB SER A 638 14.019 -2.337 7.787 1.00 0.00 C ATOM 956 OG SER A 638 13.235 -1.444 8.561 1.00 0.00 O ATOM 0 H SER A 638 11.948 -1.543 6.868 1.00 0.00 H new ATOM 0 HA SER A 638 14.553 -1.392 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 638 13.751 -3.362 8.042 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.070 -2.208 8.047 1.00 0.00 H new ATOM 0 HG SER A 638 13.383 -1.620 9.514 1.00 0.00 H new ATOM 962 N GLU A 639 15.340 -3.757 5.200 1.00 0.00 N ATOM 963 CA GLU A 639 15.714 -4.954 4.444 1.00 0.00 C ATOM 964 C GLU A 639 15.319 -6.237 5.183 1.00 0.00 C ATOM 965 O GLU A 639 14.862 -7.187 4.561 1.00 0.00 O ATOM 966 CB GLU A 639 17.221 -4.886 4.145 1.00 0.00 C ATOM 967 CG GLU A 639 17.800 -6.182 3.559 1.00 0.00 C ATOM 968 CD GLU A 639 19.222 -5.964 3.035 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.116 -5.751 3.884 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.395 -5.997 1.796 1.00 0.00 O ATOM 0 H GLU A 639 16.135 -3.158 5.424 1.00 0.00 H new ATOM 0 HA GLU A 639 15.167 -4.983 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.406 -4.069 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 639 17.753 -4.646 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 639 17.806 -6.959 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.161 -6.536 2.750 1.00 0.00 H new ATOM 977 N GLU A 640 15.411 -6.216 6.512 1.00 0.00 N ATOM 978 CA GLU A 640 14.910 -7.215 7.450 1.00 0.00 C ATOM 979 C GLU A 640 13.409 -7.427 7.213 1.00 0.00 C ATOM 980 O GLU A 640 12.944 -8.524 6.897 1.00 0.00 O ATOM 981 CB GLU A 640 15.296 -6.705 8.842 1.00 0.00 C ATOM 982 CG GLU A 640 14.352 -7.104 9.981 1.00 0.00 C ATOM 983 CD GLU A 640 13.651 -5.891 10.624 1.00 0.00 C ATOM 984 OE1 GLU A 640 13.387 -4.900 9.899 1.00 0.00 O ATOM 985 OE2 GLU A 640 13.367 -5.968 11.839 1.00 0.00 O ATOM 0 H GLU A 640 15.871 -5.444 6.994 1.00 0.00 H new ATOM 0 HA GLU A 640 15.342 -8.208 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.295 -7.070 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.354 -5.617 8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 640 13.599 -7.793 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 640 14.916 -7.639 10.745 1.00 0.00 H new ATOM 992 N LYS A 641 12.661 -6.339 7.364 1.00 0.00 N ATOM 993 CA LYS A 641 11.214 -6.266 7.260 1.00 0.00 C ATOM 994 C LYS A 641 10.674 -6.540 5.864 1.00 0.00 C ATOM 995 O LYS A 641 9.474 -6.755 5.725 1.00 0.00 O ATOM 996 CB LYS A 641 10.786 -4.893 7.731 1.00 0.00 C ATOM 997 CG LYS A 641 10.225 -5.006 9.153 1.00 0.00 C ATOM 998 CD LYS A 641 10.029 -3.625 9.765 1.00 0.00 C ATOM 999 CE LYS A 641 8.972 -2.928 8.914 1.00 0.00 C ATOM 1000 NZ LYS A 641 8.590 -1.604 9.451 1.00 0.00 N ATOM 0 H LYS A 641 13.077 -5.432 7.575 1.00 0.00 H new ATOM 0 HA LYS A 641 10.796 -7.056 7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 641 11.634 -4.208 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 641 10.031 -4.483 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 641 9.274 -5.539 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 641 10.905 -5.591 9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 641 9.705 -3.702 10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 641 10.963 -3.063 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 641 9.350 -2.809 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 641 8.086 -3.560 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 7.870 -1.174 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 8.203 -1.717 10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 9.428 -0.989 9.486 1.00 0.00 H new ATOM 1014 N VAL A 642 11.523 -6.488 4.843 1.00 0.00 N ATOM 1015 CA VAL A 642 11.235 -7.016 3.510 1.00 0.00 C ATOM 1016 C VAL A 642 11.633 -8.488 3.398 1.00 0.00 C ATOM 1017 O VAL A 642 10.819 -9.265 2.911 1.00 0.00 O ATOM 1018 CB VAL A 642 11.899 -6.187 2.389 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.333 -6.626 1.032 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.634 -4.683 2.475 1.00 0.00 C ATOM 0 H VAL A 642 12.450 -6.069 4.918 1.00 0.00 H new ATOM 0 HA VAL A 642 10.156 -6.937 3.373 1.00 0.00 H new ATOM 0 HB VAL A 642 12.969 -6.363 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.799 -6.043 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.542 -7.684 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.255 -6.463 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.137 -4.177 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.561 -4.498 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.015 -4.300 3.422 1.00 0.00 H new ATOM 1030 N GLU A 643 12.827 -8.904 3.835 1.00 0.00 N ATOM 1031 CA GLU A 643 13.274 -10.295 3.727 1.00 0.00 C ATOM 1032 C GLU A 643 12.311 -11.252 4.426 1.00 0.00 C ATOM 1033 O GLU A 643 12.116 -12.379 3.963 1.00 0.00 O ATOM 1034 CB GLU A 643 14.706 -10.463 4.269 1.00 0.00 C ATOM 1035 CG GLU A 643 15.768 -10.238 3.183 1.00 0.00 C ATOM 1036 CD GLU A 643 15.843 -11.430 2.219 1.00 0.00 C ATOM 1037 OE1 GLU A 643 15.076 -11.426 1.231 1.00 0.00 O ATOM 1038 OE2 GLU A 643 16.646 -12.349 2.497 1.00 0.00 O ATOM 0 H GLU A 643 13.509 -8.285 4.273 1.00 0.00 H new ATOM 0 HA GLU A 643 13.281 -10.551 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 643 14.869 -9.759 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.820 -11.464 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.534 -9.331 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.741 -10.083 3.650 1.00 0.00 H new ATOM 1045 N GLU A 644 11.634 -10.790 5.483 1.00 0.00 N ATOM 1046 CA GLU A 644 10.567 -11.577 6.081 1.00 0.00 C ATOM 1047 C GLU A 644 9.473 -11.868 5.048 1.00 0.00 C ATOM 1048 O GLU A 644 9.035 -13.003 4.931 1.00 0.00 O ATOM 1049 CB GLU A 644 10.028 -10.936 7.380 1.00 0.00 C ATOM 1050 CG GLU A 644 8.927 -9.903 7.109 1.00 0.00 C ATOM 1051 CD GLU A 644 8.274 -9.241 8.323 1.00 0.00 C ATOM 1052 OE1 GLU A 644 8.711 -8.160 8.769 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.166 -9.672 8.712 1.00 0.00 O ATOM 0 H GLU A 644 11.807 -9.890 5.931 1.00 0.00 H new ATOM 0 HA GLU A 644 10.980 -12.538 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 644 9.637 -11.717 8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 644 10.849 -10.457 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.348 -9.117 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.144 -10.389 6.528 1.00 0.00 H new ATOM 1060 N LEU A 645 9.053 -10.861 4.278 1.00 0.00 N ATOM 1061 CA LEU A 645 7.955 -10.910 3.318 1.00 0.00 C ATOM 1062 C LEU A 645 8.347 -11.866 2.214 1.00 0.00 C ATOM 1063 O LEU A 645 7.558 -12.717 1.804 1.00 0.00 O ATOM 1064 CB LEU A 645 7.615 -9.513 2.764 1.00 0.00 C ATOM 1065 CG LEU A 645 7.491 -8.463 3.874 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.370 -7.054 3.299 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.324 -8.759 4.816 1.00 0.00 C ATOM 0 H LEU A 645 9.495 -9.942 4.312 1.00 0.00 H new ATOM 0 HA LEU A 645 7.050 -11.263 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.388 -9.205 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.679 -9.563 2.207 1.00 0.00 H new ATOM 0 HG LEU A 645 8.410 -8.517 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.284 -6.335 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.255 -6.826 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.484 -6.994 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.274 -7.990 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.392 -8.767 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.472 -9.732 5.284 1.00 0.00 H new ATOM 1079 N ILE A 646 9.604 -11.735 1.794 1.00 0.00 N ATOM 1080 CA ILE A 646 10.210 -12.563 0.781 1.00 0.00 C ATOM 1081 C ILE A 646 10.162 -14.005 1.272 1.00 0.00 C ATOM 1082 O ILE A 646 9.749 -14.856 0.489 1.00 0.00 O ATOM 1083 CB ILE A 646 11.623 -12.026 0.443 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.462 -10.594 -0.121 1.00 0.00 C ATOM 1085 CG2 ILE A 646 12.348 -12.936 -0.564 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.749 -9.834 -0.447 1.00 0.00 C ATOM 0 H ILE A 646 10.237 -11.027 2.166 1.00 0.00 H new ATOM 0 HA ILE A 646 9.670 -12.533 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 646 12.236 -12.012 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.862 -10.652 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.894 -10.007 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 646 13.336 -12.528 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 646 12.452 -13.936 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.771 -12.990 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.500 -8.846 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.349 -9.729 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.317 -10.385 -1.197 1.00 0.00 H new ATOM 1098 N ARG A 647 10.482 -14.306 2.544 1.00 0.00 N ATOM 1099 CA ARG A 647 10.353 -15.697 2.977 1.00 0.00 C ATOM 1100 C ARG A 647 8.885 -16.087 3.125 1.00 0.00 C ATOM 1101 O ARG A 647 8.476 -17.046 2.493 1.00 0.00 O ATOM 1102 CB ARG A 647 11.251 -16.071 4.171 1.00 0.00 C ATOM 1103 CG ARG A 647 10.803 -15.695 5.596 1.00 0.00 C ATOM 1104 CD ARG A 647 11.450 -16.606 6.650 1.00 0.00 C ATOM 1105 NE ARG A 647 10.938 -17.985 6.533 1.00 0.00 N ATOM 1106 CZ ARG A 647 11.241 -19.065 7.258 1.00 0.00 C ATOM 1107 NH1 ARG A 647 12.097 -18.967 8.276 1.00 0.00 N ATOM 1108 NH2 ARG A 647 10.687 -20.242 6.960 1.00 0.00 N ATOM 0 H ARG A 647 10.812 -13.646 3.248 1.00 0.00 H new ATOM 0 HA ARG A 647 10.755 -16.323 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.395 -17.151 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.227 -15.615 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 647 11.067 -14.657 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 647 9.718 -15.768 5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 647 12.533 -16.603 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 647 11.243 -16.220 7.648 1.00 0.00 H new ATOM 0 HE ARG A 647 10.254 -18.135 5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 647 12.521 -18.067 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 647 12.328 -19.792 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 647 10.034 -20.315 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 647 10.917 -21.068 7.512 1.00 0.00 H new ATOM 1122 N ILE A 648 8.064 -15.329 3.856 1.00 0.00 N ATOM 1123 CA ILE A 648 6.682 -15.675 4.193 1.00 0.00 C ATOM 1124 C ILE A 648 5.915 -16.027 2.925 1.00 0.00 C ATOM 1125 O ILE A 648 5.302 -17.092 2.847 1.00 0.00 O ATOM 1126 CB ILE A 648 6.024 -14.513 4.966 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.689 -14.370 6.359 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.507 -14.685 5.142 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.534 -12.978 6.968 1.00 0.00 C ATOM 0 H ILE A 648 8.352 -14.430 4.241 1.00 0.00 H new ATOM 0 HA ILE A 648 6.666 -16.551 4.842 1.00 0.00 H new ATOM 0 HB ILE A 648 6.177 -13.613 4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.255 -15.105 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.750 -14.604 6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.106 -13.835 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.031 -14.740 4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.307 -15.603 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.023 -12.950 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 648 6.993 -12.240 6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.475 -12.749 7.087 1.00 0.00 H new ATOM 1141 N LEU A 649 5.958 -15.165 1.906 1.00 0.00 N ATOM 1142 CA LEU A 649 5.239 -15.454 0.685 1.00 0.00 C ATOM 1143 C LEU A 649 5.827 -16.660 -0.085 1.00 0.00 C ATOM 1144 O LEU A 649 5.096 -17.337 -0.809 1.00 0.00 O ATOM 1145 CB LEU A 649 5.129 -14.184 -0.170 1.00 0.00 C ATOM 1146 CG LEU A 649 4.064 -13.203 0.349 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.587 -12.174 1.353 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.445 -12.449 -0.832 1.00 0.00 C ATOM 0 H LEU A 649 6.473 -14.284 1.909 1.00 0.00 H new ATOM 0 HA LEU A 649 4.228 -15.765 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 649 6.097 -13.683 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.890 -14.463 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 649 3.332 -13.816 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.770 -11.524 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 649 4.995 -12.689 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.369 -11.575 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.690 -11.754 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.223 -11.895 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.981 -13.161 -1.515 1.00 0.00 H new ATOM 1160 N LYS A 650 7.123 -16.953 0.074 1.00 0.00 N ATOM 1161 CA LYS A 650 7.806 -18.113 -0.543 1.00 0.00 C ATOM 1162 C LYS A 650 7.392 -19.395 0.166 1.00 0.00 C ATOM 1163 O LYS A 650 7.092 -20.407 -0.459 1.00 0.00 O ATOM 1164 CB LYS A 650 9.355 -18.003 -0.525 1.00 0.00 C ATOM 1165 CG LYS A 650 9.920 -17.104 -1.633 1.00 0.00 C ATOM 1166 CD LYS A 650 11.407 -16.741 -1.528 1.00 0.00 C ATOM 1167 CE LYS A 650 12.370 -17.919 -1.473 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.763 -17.431 -1.357 1.00 0.00 N ATOM 0 H LYS A 650 7.746 -16.383 0.646 1.00 0.00 H new ATOM 0 HA LYS A 650 7.497 -18.127 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.672 -17.615 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.783 -19.001 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.756 -17.599 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.343 -16.179 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.672 -16.118 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.552 -16.134 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 650 12.128 -18.557 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.263 -18.528 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.419 -18.175 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.886 -16.587 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.964 -17.188 -0.366 1.00 0.00 H new ATOM 1182 N ASP A 651 7.346 -19.305 1.485 1.00 0.00 N ATOM 1183 CA ASP A 651 7.004 -20.318 2.469 1.00 0.00 C ATOM 1184 C ASP A 651 5.557 -20.757 2.229 1.00 0.00 C ATOM 1185 O ASP A 651 5.245 -21.944 2.254 1.00 0.00 O ATOM 1186 CB ASP A 651 7.152 -19.689 3.864 1.00 0.00 C ATOM 1187 CG ASP A 651 8.524 -19.819 4.533 1.00 0.00 C ATOM 1188 OD1 ASP A 651 8.880 -20.903 5.043 1.00 0.00 O ATOM 1189 OD2 ASP A 651 9.214 -18.790 4.673 1.00 0.00 O ATOM 0 H ASP A 651 7.573 -18.422 1.942 1.00 0.00 H new ATOM 0 HA ASP A 651 7.656 -21.188 2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 651 6.909 -18.629 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.408 -20.139 4.521 1.00 0.00 H new ATOM 1194 N LYS A 652 4.681 -19.787 1.938 1.00 0.00 N ATOM 1195 CA LYS A 652 3.289 -19.997 1.540 1.00 0.00 C ATOM 1196 C LYS A 652 3.150 -20.635 0.155 1.00 0.00 C ATOM 1197 O LYS A 652 2.044 -21.039 -0.196 1.00 0.00 O ATOM 1198 CB LYS A 652 2.590 -18.630 1.523 1.00 0.00 C ATOM 1199 CG LYS A 652 2.290 -18.096 2.930 1.00 0.00 C ATOM 1200 CD LYS A 652 2.185 -16.562 2.917 1.00 0.00 C ATOM 1201 CE LYS A 652 0.867 -16.021 3.484 1.00 0.00 C ATOM 1202 NZ LYS A 652 -0.294 -16.382 2.640 1.00 0.00 N ATOM 0 H LYS A 652 4.934 -18.800 1.976 1.00 0.00 H new ATOM 0 HA LYS A 652 2.838 -20.684 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.218 -17.913 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.658 -18.711 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.358 -18.526 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 652 3.077 -18.406 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.013 -16.147 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.299 -16.209 1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 652 0.718 -16.413 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 652 0.928 -14.936 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 -1.163 -15.996 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 -0.166 -15.987 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 -0.370 -17.417 2.578 1.00 0.00 H new ATOM 1216 N GLY A 653 4.215 -20.664 -0.654 1.00 0.00 N ATOM 1217 CA GLY A 653 4.124 -20.995 -2.067 1.00 0.00 C ATOM 1218 C GLY A 653 3.310 -19.963 -2.849 1.00 0.00 C ATOM 1219 O GLY A 653 2.804 -20.291 -3.918 1.00 0.00 O ATOM 0 H GLY A 653 5.163 -20.457 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 653 5.127 -21.060 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.666 -21.978 -2.180 1.00 0.00 H new ATOM 1223 N ALA A 654 3.152 -18.736 -2.327 1.00 0.00 N ATOM 1224 CA ALA A 654 2.536 -17.637 -3.057 1.00 0.00 C ATOM 1225 C ALA A 654 3.532 -17.052 -4.061 1.00 0.00 C ATOM 1226 O ALA A 654 3.140 -16.624 -5.147 1.00 0.00 O ATOM 1227 CB ALA A 654 2.066 -16.563 -2.070 1.00 0.00 C ATOM 0 H ALA A 654 3.451 -18.487 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 654 1.672 -18.007 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.605 -15.741 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.338 -16.994 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.920 -16.189 -1.506 1.00 0.00 H new ATOM 1233 N ILE A 655 4.825 -17.048 -3.716 1.00 0.00 N ATOM 1234 CA ILE A 655 5.891 -16.646 -4.621 1.00 0.00 C ATOM 1235 C ILE A 655 6.969 -17.717 -4.591 1.00 0.00 C ATOM 1236 O ILE A 655 6.917 -18.662 -3.800 1.00 0.00 O ATOM 1237 CB ILE A 655 6.429 -15.235 -4.288 1.00 0.00 C ATOM 1238 CG1 ILE A 655 7.108 -15.196 -2.918 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.286 -14.227 -4.372 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.749 -13.856 -2.542 1.00 0.00 C ATOM 0 H ILE A 655 5.156 -17.327 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 655 5.506 -16.565 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 655 7.193 -14.970 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.370 -15.453 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.877 -15.968 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.661 -13.231 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.871 -14.231 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.508 -14.499 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.202 -13.934 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.516 -13.601 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 655 6.986 -13.078 -2.530 1.00 0.00 H new ATOM 1252 N PHE A 656 7.955 -17.559 -5.462 1.00 0.00 N ATOM 1253 CA PHE A 656 9.099 -18.432 -5.539 1.00 0.00 C ATOM 1254 C PHE A 656 10.281 -17.663 -6.115 1.00 0.00 C ATOM 1255 O PHE A 656 10.115 -16.528 -6.558 1.00 0.00 O ATOM 1256 CB PHE A 656 8.732 -19.662 -6.374 1.00 0.00 C ATOM 1257 CG PHE A 656 9.517 -20.859 -5.913 1.00 0.00 C ATOM 1258 CD1 PHE A 656 9.188 -21.457 -4.682 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.625 -21.298 -6.654 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.968 -22.525 -4.203 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.406 -22.362 -6.171 1.00 0.00 C ATOM 1262 CZ PHE A 656 11.073 -22.978 -4.950 1.00 0.00 C ATOM 0 H PHE A 656 7.975 -16.802 -6.146 1.00 0.00 H new ATOM 0 HA PHE A 656 9.392 -18.782 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.664 -19.863 -6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.935 -19.469 -7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.344 -21.099 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.876 -20.821 -7.590 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.720 -22.997 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 656 12.260 -22.706 -6.736 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.668 -23.802 -4.584 1.00 0.00 H new ATOM 1272 N GLU A 657 11.464 -18.281 -6.117 1.00 0.00 N ATOM 1273 CA GLU A 657 12.727 -17.661 -6.500 1.00 0.00 C ATOM 1274 C GLU A 657 13.278 -18.381 -7.752 1.00 0.00 C ATOM 1275 O GLU A 657 14.104 -19.285 -7.629 1.00 0.00 O ATOM 1276 CB GLU A 657 13.658 -17.669 -5.273 1.00 0.00 C ATOM 1277 CG GLU A 657 14.850 -16.699 -5.364 1.00 0.00 C ATOM 1278 CD GLU A 657 14.733 -15.472 -4.448 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.430 -15.686 -3.249 1.00 0.00 O ATOM 1280 OE2 GLU A 657 14.973 -14.341 -4.935 1.00 0.00 O ATOM 0 H GLU A 657 11.569 -19.258 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 657 12.617 -16.616 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 657 13.072 -17.421 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 657 14.040 -18.680 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.763 -17.239 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.951 -16.361 -6.395 1.00 0.00 H new ATOM 1287 N PRO A 658 12.806 -18.038 -8.972 1.00 0.00 N ATOM 1288 CA PRO A 658 13.153 -18.690 -10.243 1.00 0.00 C ATOM 1289 C PRO A 658 14.602 -18.523 -10.698 1.00 0.00 C ATOM 1290 O PRO A 658 14.974 -19.022 -11.764 1.00 0.00 O ATOM 1291 CB PRO A 658 12.245 -18.043 -11.280 1.00 0.00 C ATOM 1292 CG PRO A 658 11.949 -16.674 -10.696 1.00 0.00 C ATOM 1293 CD PRO A 658 11.764 -17.065 -9.237 1.00 0.00 C ATOM 0 HA PRO A 658 13.025 -19.765 -10.117 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.736 -17.967 -12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.333 -18.620 -11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.768 -15.969 -10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 658 11.057 -16.218 -11.125 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.857 -16.199 -8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.775 -17.490 -9.065 1.00 0.00 H new ATOM 1301 N ALA A 659 15.390 -17.733 -9.977 1.00 0.00 N ATOM 1302 CA ALA A 659 16.841 -17.682 -10.103 1.00 0.00 C ATOM 1303 C ALA A 659 17.467 -17.110 -8.832 1.00 0.00 C ATOM 1304 O ALA A 659 16.767 -16.566 -7.987 1.00 0.00 O ATOM 1305 CB ALA A 659 17.226 -16.836 -11.319 1.00 0.00 C ATOM 0 H ALA A 659 15.027 -17.094 -9.270 1.00 0.00 H new ATOM 0 HA ALA A 659 17.220 -18.694 -10.243 1.00 0.00 H new ATOM 0 HB1 ALA A 659 18.312 -16.801 -11.409 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.801 -17.279 -12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.839 -15.824 -11.196 1.00 0.00 H new ATOM 1311 N ARG A 660 18.802 -17.177 -8.750 1.00 0.00 N ATOM 1312 CA ARG A 660 19.701 -16.841 -7.633 1.00 0.00 C ATOM 1313 C ARG A 660 19.617 -15.414 -7.042 1.00 0.00 C ATOM 1314 O ARG A 660 20.536 -14.994 -6.345 1.00 0.00 O ATOM 1315 CB ARG A 660 21.137 -17.181 -8.078 1.00 0.00 C ATOM 1316 CG ARG A 660 21.665 -16.279 -9.211 1.00 0.00 C ATOM 1317 CD ARG A 660 23.078 -16.703 -9.623 1.00 0.00 C ATOM 1318 NE ARG A 660 23.591 -15.867 -10.724 1.00 0.00 N ATOM 1319 CZ ARG A 660 24.701 -16.095 -11.442 1.00 0.00 C ATOM 1320 NH1 ARG A 660 25.472 -17.153 -11.185 1.00 0.00 N ATOM 1321 NH2 ARG A 660 25.039 -15.259 -12.425 1.00 0.00 N ATOM 0 H ARG A 660 19.340 -17.504 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 660 19.362 -17.442 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.803 -17.098 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.169 -18.220 -8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.997 -16.337 -10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 660 21.673 -15.240 -8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 660 23.747 -16.628 -8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 660 23.071 -17.749 -9.931 1.00 0.00 H new ATOM 0 HE ARG A 660 23.050 -15.036 -10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 660 25.220 -17.798 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 660 26.314 -17.317 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 660 24.454 -14.449 -12.629 1.00 0.00 H new ATOM 0 HH22 ARG A 660 25.882 -15.430 -12.972 1.00 0.00 H new ATOM 1335 N GLY A 661 18.561 -14.660 -7.334 1.00 0.00 N ATOM 1336 CA GLY A 661 18.292 -13.321 -6.830 1.00 0.00 C ATOM 1337 C GLY A 661 17.075 -12.701 -7.517 1.00 0.00 C ATOM 1338 O GLY A 661 17.040 -11.482 -7.692 1.00 0.00 O ATOM 0 H GLY A 661 17.830 -14.988 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 661 18.122 -13.363 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 661 19.165 -12.688 -6.991 1.00 0.00 H new ATOM 1342 N TYR A 662 16.112 -13.522 -7.958 1.00 0.00 N ATOM 1343 CA TYR A 662 14.932 -13.072 -8.680 1.00 0.00 C ATOM 1344 C TYR A 662 13.748 -13.875 -8.173 1.00 0.00 C ATOM 1345 O TYR A 662 13.811 -15.101 -8.191 1.00 0.00 O ATOM 1346 CB TYR A 662 15.077 -13.304 -10.189 1.00 0.00 C ATOM 1347 CG TYR A 662 15.966 -12.336 -10.950 1.00 0.00 C ATOM 1348 CD1 TYR A 662 17.360 -12.530 -11.005 1.00 0.00 C ATOM 1349 CD2 TYR A 662 15.387 -11.264 -11.654 1.00 0.00 C ATOM 1350 CE1 TYR A 662 18.170 -11.653 -11.752 1.00 0.00 C ATOM 1351 CE2 TYR A 662 16.183 -10.397 -12.417 1.00 0.00 C ATOM 1352 CZ TYR A 662 17.580 -10.581 -12.465 1.00 0.00 C ATOM 1353 OH TYR A 662 18.342 -9.716 -13.194 1.00 0.00 O ATOM 0 H TYR A 662 16.139 -14.532 -7.817 1.00 0.00 H new ATOM 0 HA TYR A 662 14.796 -12.003 -8.514 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.464 -14.312 -10.342 1.00 0.00 H new ATOM 0 HB3 TYR A 662 14.083 -13.273 -10.634 1.00 0.00 H new ATOM 0 HD1 TYR A 662 17.810 -13.355 -10.472 1.00 0.00 H new ATOM 0 HD2 TYR A 662 14.319 -11.107 -11.606 1.00 0.00 H new ATOM 0 HE1 TYR A 662 19.240 -11.798 -11.781 1.00 0.00 H new ATOM 0 HE2 TYR A 662 15.726 -9.588 -12.968 1.00 0.00 H new ATOM 0 HH TYR A 662 17.764 -9.046 -13.615 1.00 0.00 H new ATOM 1363 N LEU A 663 12.684 -13.180 -7.775 1.00 0.00 N ATOM 1364 CA LEU A 663 11.389 -13.701 -7.384 1.00 0.00 C ATOM 1365 C LEU A 663 10.464 -13.861 -8.602 1.00 0.00 C ATOM 1366 O LEU A 663 10.743 -13.363 -9.697 1.00 0.00 O ATOM 1367 CB LEU A 663 10.753 -12.736 -6.361 1.00 0.00 C ATOM 1368 CG LEU A 663 11.217 -12.945 -4.906 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.633 -11.827 -4.028 1.00 0.00 C ATOM 1370 CD2 LEU A 663 10.799 -14.325 -4.382 1.00 0.00 C ATOM 0 H LEU A 663 12.714 -12.162 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 663 11.524 -14.686 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.980 -11.712 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.669 -12.847 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 663 12.306 -12.903 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 663 10.957 -11.968 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.983 -10.860 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.544 -11.859 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 663 11.141 -14.442 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 663 9.713 -14.414 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 663 11.246 -15.101 -5.004 1.00 0.00 H new ATOM 1382 N LYS A 664 9.338 -14.549 -8.386 1.00 0.00 N ATOM 1383 CA LYS A 664 8.186 -14.696 -9.270 1.00 0.00 C ATOM 1384 C LYS A 664 6.967 -15.011 -8.416 1.00 0.00 C ATOM 1385 O LYS A 664 7.115 -15.657 -7.379 1.00 0.00 O ATOM 1386 CB LYS A 664 8.482 -15.812 -10.291 1.00 0.00 C ATOM 1387 CG LYS A 664 7.265 -16.612 -10.758 1.00 0.00 C ATOM 1388 CD LYS A 664 7.477 -17.337 -12.092 1.00 0.00 C ATOM 1389 CE LYS A 664 6.271 -17.047 -13.004 1.00 0.00 C ATOM 1390 NZ LYS A 664 6.161 -15.605 -13.345 1.00 0.00 N ATOM 0 H LYS A 664 9.202 -15.059 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 664 7.987 -13.780 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 664 8.959 -15.366 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 664 9.202 -16.502 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 664 7.008 -17.345 -9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.413 -15.938 -10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.399 -16.998 -12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.578 -18.410 -11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.362 -17.630 -13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 664 5.356 -17.373 -12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 5.483 -15.483 -14.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.831 -15.076 -12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 7.092 -15.245 -13.637 1.00 0.00 H new ATOM 1404 N ILE A 665 5.778 -14.601 -8.869 1.00 0.00 N ATOM 1405 CA ILE A 665 4.522 -15.044 -8.280 1.00 0.00 C ATOM 1406 C ILE A 665 4.182 -16.427 -8.847 1.00 0.00 C ATOM 1407 O ILE A 665 4.228 -16.620 -10.065 1.00 0.00 O ATOM 1408 CB ILE A 665 3.391 -14.011 -8.504 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.829 -12.614 -8.010 1.00 0.00 C ATOM 1410 CG2 ILE A 665 2.107 -14.456 -7.777 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.794 -11.509 -8.231 1.00 0.00 C ATOM 0 H ILE A 665 5.665 -13.956 -9.651 1.00 0.00 H new ATOM 0 HA ILE A 665 4.628 -15.126 -7.198 1.00 0.00 H new ATOM 0 HB ILE A 665 3.184 -13.952 -9.573 1.00 0.00 H new ATOM 0 HG12 ILE A 665 4.056 -12.674 -6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.753 -12.336 -8.518 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.321 -13.720 -7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.786 -15.423 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.305 -14.540 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 665 3.185 -10.564 -7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.583 -11.416 -9.296 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.876 -11.759 -7.700 1.00 0.00 H new ATOM 1423 N VAL A 666 3.876 -17.388 -7.967 1.00 0.00 N ATOM 1424 CA VAL A 666 3.399 -18.713 -8.371 1.00 0.00 C ATOM 1425 C VAL A 666 2.030 -18.570 -9.044 1.00 0.00 C ATOM 1426 O VAL A 666 1.880 -19.155 -10.139 1.00 0.00 O ATOM 1427 CB VAL A 666 3.367 -19.663 -7.156 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.793 -21.047 -7.502 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.791 -19.870 -6.612 1.00 0.00 C ATOM 1430 OXT VAL A 666 1.156 -17.905 -8.446 1.00 0.00 O ATOM 0 H VAL A 666 3.952 -17.268 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 666 4.082 -19.156 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 666 2.722 -19.192 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.794 -21.674 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.772 -20.937 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.406 -21.512 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.759 -20.542 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.418 -20.305 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 666 5.206 -18.910 -6.305 1.00 0.00 H new