USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 648 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 682 THR OG1 : rot 180:sc= -0.385! USER MOD Set 1.2: A 683 ASN : amide:sc= -2.99! C(o=-3.4!,f=-5.7!) USER MOD Set 2.1: A 617 ASN : amide:sc= -2.55 K(o=-1.6,f=-3.1!) USER MOD Set 2.2: A 698 GLN : amide:sc= 0.968 K(o=-1.6,f=-3.1) USER MOD Single : A 618 LYS NZ :NH3+ 161:sc= -1.38 (180deg=-2.18!) USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 651 LYS NZ :NH3+ 163:sc= 0.0593 (180deg=-0.299) USER MOD Single : A 653 LYS NZ :NH3+ -157:sc= -0.0489 (180deg=-0.305) USER MOD Single : A 654 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 656 SER OG : rot -75:sc= 1.23 USER MOD Single : A 663 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 674 ASN : amide:sc= -2.43 K(o=-2.4,f=-0.27) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 688 ASN : amide:sc= 0.33 X(o=0.33,f=0) USER MOD Single : A 693 SER OG : rot 17:sc= 0.285 USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 SER OG : rot -43:sc= 0.0327 USER MOD Single : A 704 SER OG : rot 180:sc= -0.412 USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.133 9.441 -2.404 1.00 0.00 N ATOM 248 CA GLY A 612 174.759 8.992 -2.275 1.00 0.00 C ATOM 249 C GLY A 612 174.541 8.146 -1.036 1.00 0.00 C ATOM 250 O GLY A 612 175.487 7.577 -0.492 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.098 9.858 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.484 8.416 -3.158 1.00 0.00 H new ATOM 254 N ARG A 613 173.291 8.049 -0.595 1.00 0.00 N ATOM 255 CA ARG A 613 172.956 7.253 0.580 1.00 0.00 C ATOM 256 C ARG A 613 172.197 5.998 0.170 1.00 0.00 C ATOM 257 O ARG A 613 171.119 6.082 -0.418 1.00 0.00 O ATOM 258 CB ARG A 613 172.120 8.074 1.564 1.00 0.00 C ATOM 259 CG ARG A 613 170.781 8.526 1.000 1.00 0.00 C ATOM 260 CD ARG A 613 170.605 10.032 1.116 1.00 0.00 C ATOM 261 NE ARG A 613 169.247 10.397 1.511 1.00 0.00 N ATOM 262 CZ ARG A 613 168.810 10.381 2.768 1.00 0.00 C ATOM 263 NH1 ARG A 613 169.616 10.009 3.754 1.00 0.00 N ATOM 264 NH2 ARG A 613 167.561 10.736 3.039 1.00 0.00 N ATOM 0 H ARG A 613 172.494 8.511 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 613 173.883 6.959 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 613 171.945 7.481 2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 613 172.691 8.951 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 613 170.708 8.230 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 613 169.973 8.023 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 613 171.312 10.424 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 613 170.842 10.499 0.160 1.00 0.00 H new ATOM 0 HE ARG A 613 168.595 10.681 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 613 170.577 9.733 3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 613 169.275 9.999 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 613 166.937 11.021 2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 613 167.225 10.724 4.002 1.00 0.00 H new ATOM 278 N VAL A 614 172.768 4.832 0.461 1.00 0.00 N ATOM 279 CA VAL A 614 172.137 3.575 0.094 1.00 0.00 C ATOM 280 C VAL A 614 171.678 2.791 1.317 1.00 0.00 C ATOM 281 O VAL A 614 172.474 2.460 2.195 1.00 0.00 O ATOM 282 CB VAL A 614 173.087 2.699 -0.743 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.380 1.438 -1.219 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.638 3.486 -1.922 1.00 0.00 C ATOM 0 H VAL A 614 173.660 4.735 0.946 1.00 0.00 H new ATOM 0 HA VAL A 614 171.262 3.830 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 614 173.923 2.399 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.070 0.834 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.041 0.864 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.522 1.712 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.307 2.851 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.815 3.819 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.187 4.353 -1.556 1.00 0.00 H new ATOM 294 N ILE A 615 170.386 2.483 1.351 1.00 0.00 N ATOM 295 CA ILE A 615 169.805 1.718 2.447 1.00 0.00 C ATOM 296 C ILE A 615 169.503 0.299 1.981 1.00 0.00 C ATOM 297 O ILE A 615 168.734 0.099 1.042 1.00 0.00 O ATOM 298 CB ILE A 615 168.507 2.363 2.984 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.468 3.862 2.665 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.385 2.136 4.481 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.614 4.642 3.274 1.00 0.00 C ATOM 0 H ILE A 615 169.719 2.753 0.628 1.00 0.00 H new ATOM 0 HA ILE A 615 170.534 1.705 3.257 1.00 0.00 H new ATOM 0 HB ILE A 615 167.660 1.889 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.483 3.995 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.526 4.277 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.466 2.596 4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.361 1.066 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.240 2.583 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 615 169.521 5.694 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.588 4.540 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.560 4.254 2.896 1.00 0.00 H new ATOM 313 N LEU A 616 170.124 -0.685 2.623 1.00 0.00 N ATOM 314 CA LEU A 616 169.923 -2.078 2.242 1.00 0.00 C ATOM 315 C LEU A 616 169.386 -2.908 3.402 1.00 0.00 C ATOM 316 O LEU A 616 169.643 -2.611 4.568 1.00 0.00 O ATOM 317 CB LEU A 616 171.234 -2.676 1.728 1.00 0.00 C ATOM 318 CG LEU A 616 171.362 -2.711 0.205 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.722 -3.249 -0.214 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.249 -3.552 -0.398 1.00 0.00 C ATOM 0 H LEU A 616 170.766 -0.546 3.403 1.00 0.00 H new ATOM 0 HA LEU A 616 169.178 -2.101 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.065 -2.101 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.330 -3.692 2.111 1.00 0.00 H new ATOM 0 HG LEU A 616 171.272 -1.691 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.788 -3.264 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.507 -2.608 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.847 -4.261 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.352 -3.568 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.312 -4.569 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.283 -3.122 -0.132 1.00 0.00 H new ATOM 332 N ASN A 617 168.637 -3.954 3.066 1.00 0.00 N ATOM 333 CA ASN A 617 168.056 -4.841 4.065 1.00 0.00 C ATOM 334 C ASN A 617 168.295 -6.301 3.692 1.00 0.00 C ATOM 335 O ASN A 617 167.897 -6.749 2.618 1.00 0.00 O ATOM 336 CB ASN A 617 166.556 -4.577 4.197 1.00 0.00 C ATOM 337 CG ASN A 617 166.253 -3.385 5.082 1.00 0.00 C ATOM 338 OD1 ASN A 617 166.091 -3.522 6.294 1.00 0.00 O ATOM 339 ND2 ASN A 617 166.176 -2.204 4.479 1.00 0.00 N ATOM 0 H ASN A 617 168.418 -4.208 2.103 1.00 0.00 H new ATOM 0 HA ASN A 617 168.539 -4.642 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.132 -4.408 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 617 166.069 -5.462 4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 617 165.976 -1.365 5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 617 166.317 -2.136 3.471 1.00 0.00 H new ATOM 346 N LYS A 618 168.952 -7.039 4.582 1.00 0.00 N ATOM 347 CA LYS A 618 169.247 -8.447 4.339 1.00 0.00 C ATOM 348 C LYS A 618 168.290 -9.352 5.108 1.00 0.00 C ATOM 349 O LYS A 618 167.897 -10.412 4.622 1.00 0.00 O ATOM 350 CB LYS A 618 170.692 -8.763 4.735 1.00 0.00 C ATOM 351 CG LYS A 618 171.117 -8.135 6.053 1.00 0.00 C ATOM 352 CD LYS A 618 172.162 -8.979 6.762 1.00 0.00 C ATOM 353 CE LYS A 618 173.548 -8.757 6.177 1.00 0.00 C ATOM 354 NZ LYS A 618 174.052 -7.382 6.444 1.00 0.00 N ATOM 0 H LYS A 618 169.290 -6.686 5.477 1.00 0.00 H new ATOM 0 HA LYS A 618 169.116 -8.637 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.812 -9.844 4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 618 171.359 -8.417 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.517 -7.138 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 618 170.246 -8.016 6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 618 172.170 -8.733 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 618 171.896 -10.033 6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 618 174.241 -9.485 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.520 -8.930 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 175.085 -7.362 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 173.615 -6.716 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 173.808 -7.106 7.416 1.00 0.00 H new ATOM 516 N LEU A 629 172.777 -12.117 1.123 1.00 0.00 N ATOM 517 CA LEU A 629 172.774 -11.112 2.181 1.00 0.00 C ATOM 518 C LEU A 629 171.866 -9.941 1.808 1.00 0.00 C ATOM 519 O LEU A 629 170.716 -9.877 2.243 1.00 0.00 O ATOM 520 CB LEU A 629 174.196 -10.612 2.475 1.00 0.00 C ATOM 521 CG LEU A 629 175.330 -11.615 2.231 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.055 -12.940 2.919 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.567 -11.822 0.742 1.00 0.00 C ATOM 0 HA LEU A 629 172.386 -11.581 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.382 -9.729 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.239 -10.293 3.516 1.00 0.00 H new ATOM 0 HG LEU A 629 176.237 -11.194 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 629 175.878 -13.628 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 629 174.961 -12.780 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.129 -13.365 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.376 -12.538 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.658 -12.205 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.837 -10.872 0.281 1.00 0.00 H new ATOM 535 N LEU A 630 172.377 -9.025 0.989 1.00 0.00 N ATOM 536 CA LEU A 630 171.595 -7.873 0.554 1.00 0.00 C ATOM 537 C LEU A 630 171.698 -7.681 -0.960 1.00 0.00 C ATOM 538 O LEU A 630 170.686 -7.445 -1.620 1.00 0.00 O ATOM 539 CB LEU A 630 172.015 -6.592 1.286 1.00 0.00 C ATOM 540 CG LEU A 630 173.426 -6.599 1.866 1.00 0.00 C ATOM 541 CD1 LEU A 630 173.962 -5.182 1.989 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.448 -7.299 3.214 1.00 0.00 C ATOM 0 H LEU A 630 173.325 -9.058 0.615 1.00 0.00 H new ATOM 0 HA LEU A 630 170.555 -8.076 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 630 171.930 -5.754 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.309 -6.409 2.096 1.00 0.00 H new ATOM 0 HG LEU A 630 174.073 -7.151 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 630 174.969 -5.209 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 630 173.988 -4.716 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.313 -4.603 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.463 -7.293 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 630 172.785 -6.778 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.111 -8.329 3.095 1.00 0.00 H new ATOM 554 N GLY A 631 172.907 -7.804 -1.524 1.00 0.00 N ATOM 555 CA GLY A 631 173.034 -7.654 -2.966 1.00 0.00 C ATOM 556 C GLY A 631 174.436 -7.345 -3.487 1.00 0.00 C ATOM 557 O GLY A 631 174.596 -7.129 -4.689 1.00 0.00 O ATOM 0 H GLY A 631 173.774 -7.999 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.687 -8.573 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.364 -6.857 -3.289 1.00 0.00 H new ATOM 561 N LEU A 632 175.457 -7.320 -2.629 1.00 0.00 N ATOM 562 CA LEU A 632 176.811 -7.030 -3.114 1.00 0.00 C ATOM 563 C LEU A 632 177.902 -7.488 -2.147 1.00 0.00 C ATOM 564 O LEU A 632 177.724 -7.489 -0.935 1.00 0.00 O ATOM 565 CB LEU A 632 176.968 -5.532 -3.433 1.00 0.00 C ATOM 566 CG LEU A 632 176.933 -4.556 -2.245 1.00 0.00 C ATOM 567 CD1 LEU A 632 175.634 -4.678 -1.467 1.00 0.00 C ATOM 568 CD2 LEU A 632 178.128 -4.762 -1.327 1.00 0.00 C ATOM 0 H LEU A 632 175.381 -7.491 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 632 176.941 -7.606 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.914 -5.395 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 632 176.176 -5.249 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 632 176.988 -3.547 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 632 175.641 -3.975 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 632 174.794 -4.453 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 632 175.533 -5.693 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 632 178.075 -4.058 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 632 178.118 -5.781 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 632 179.049 -4.596 -1.886 1.00 0.00 H new ATOM 580 N LYS A 633 179.051 -7.853 -2.701 1.00 0.00 N ATOM 581 CA LYS A 633 180.189 -8.285 -1.898 1.00 0.00 C ATOM 582 C LYS A 633 181.192 -7.144 -1.783 1.00 0.00 C ATOM 583 O LYS A 633 181.555 -6.534 -2.788 1.00 0.00 O ATOM 584 CB LYS A 633 180.850 -9.509 -2.536 1.00 0.00 C ATOM 585 CG LYS A 633 181.366 -10.522 -1.528 1.00 0.00 C ATOM 586 CD LYS A 633 181.549 -11.895 -2.158 1.00 0.00 C ATOM 587 CE LYS A 633 183.015 -12.291 -2.230 1.00 0.00 C ATOM 588 NZ LYS A 633 183.282 -13.560 -1.498 1.00 0.00 N ATOM 0 H LYS A 633 179.220 -7.859 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 633 179.843 -8.559 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 633 180.131 -9.998 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.679 -9.178 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 633 182.317 -10.179 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 633 180.668 -10.594 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 633 181.000 -12.637 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 633 181.123 -11.895 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 633 183.310 -12.404 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 633 183.628 -11.493 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 184.292 -13.797 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 183.024 -13.444 -0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 182.716 -14.327 -1.915 1.00 0.00 H new ATOM 602 N VAL A 634 181.624 -6.835 -0.564 1.00 0.00 N ATOM 603 CA VAL A 634 182.563 -5.739 -0.362 1.00 0.00 C ATOM 604 C VAL A 634 183.931 -6.223 0.093 1.00 0.00 C ATOM 605 O VAL A 634 184.067 -7.275 0.714 1.00 0.00 O ATOM 606 CB VAL A 634 182.023 -4.721 0.664 1.00 0.00 C ATOM 607 CG1 VAL A 634 183.157 -3.934 1.313 1.00 0.00 C ATOM 608 CG2 VAL A 634 181.034 -3.784 -0.005 1.00 0.00 C ATOM 0 H VAL A 634 181.343 -7.321 0.288 1.00 0.00 H new ATOM 0 HA VAL A 634 182.674 -5.256 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 634 181.510 -5.271 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.744 -3.225 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.829 -4.621 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.710 -3.392 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.658 -3.069 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.531 -3.248 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.202 -4.361 -0.409 1.00 0.00 H new ATOM 618 N VAL A 635 184.939 -5.419 -0.219 1.00 0.00 N ATOM 619 CA VAL A 635 186.307 -5.716 0.152 1.00 0.00 C ATOM 620 C VAL A 635 186.917 -4.549 0.913 1.00 0.00 C ATOM 621 O VAL A 635 186.916 -3.420 0.430 1.00 0.00 O ATOM 622 CB VAL A 635 187.154 -6.042 -1.093 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.489 -5.308 -1.085 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.359 -7.534 -1.177 1.00 0.00 C ATOM 0 H VAL A 635 184.827 -4.546 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 635 186.300 -6.592 0.801 1.00 0.00 H new ATOM 0 HB VAL A 635 186.615 -5.697 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 635 189.052 -5.568 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.313 -4.233 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 635 189.058 -5.598 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.958 -7.770 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.876 -7.881 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.392 -8.030 -1.253 1.00 0.00 H new ATOM 634 N GLY A 636 187.435 -4.828 2.101 1.00 0.00 N ATOM 635 CA GLY A 636 188.035 -3.782 2.908 1.00 0.00 C ATOM 636 C GLY A 636 189.543 -3.897 2.994 1.00 0.00 C ATOM 637 O GLY A 636 190.124 -4.895 2.566 1.00 0.00 O ATOM 0 H GLY A 636 187.451 -5.758 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.773 -2.811 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.615 -3.819 3.913 1.00 0.00 H new ATOM 641 N GLY A 637 190.178 -2.871 3.554 1.00 0.00 N ATOM 642 CA GLY A 637 191.622 -2.874 3.693 1.00 0.00 C ATOM 643 C GLY A 637 192.338 -2.712 2.367 1.00 0.00 C ATOM 644 O GLY A 637 193.264 -3.462 2.059 1.00 0.00 O ATOM 0 H GLY A 637 189.716 -2.036 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.920 -2.067 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.936 -3.808 4.159 1.00 0.00 H new ATOM 648 N LYS A 638 191.912 -1.727 1.584 1.00 0.00 N ATOM 649 CA LYS A 638 192.522 -1.464 0.285 1.00 0.00 C ATOM 650 C LYS A 638 193.198 -0.098 0.274 1.00 0.00 C ATOM 651 O LYS A 638 192.568 0.916 -0.028 1.00 0.00 O ATOM 652 CB LYS A 638 191.470 -1.538 -0.823 1.00 0.00 C ATOM 653 CG LYS A 638 190.862 -2.922 -0.994 1.00 0.00 C ATOM 654 CD LYS A 638 191.857 -3.902 -1.600 1.00 0.00 C ATOM 655 CE LYS A 638 191.991 -5.159 -0.753 1.00 0.00 C ATOM 656 NZ LYS A 638 193.083 -6.045 -1.244 1.00 0.00 N ATOM 0 H LYS A 638 191.147 -1.097 1.826 1.00 0.00 H new ATOM 0 HA LYS A 638 193.279 -2.227 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.675 -0.825 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.924 -1.231 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.527 -3.295 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.981 -2.856 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 638 191.536 -4.173 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 638 192.831 -3.421 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 638 192.187 -4.880 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 638 191.048 -5.706 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 193.142 -6.890 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 192.883 -6.332 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 193.987 -5.532 -1.211 1.00 0.00 H new ATOM 763 N LEU A 645 192.600 3.661 4.101 1.00 0.00 N ATOM 764 CA LEU A 645 191.981 2.369 3.828 1.00 0.00 C ATOM 765 C LEU A 645 190.477 2.517 3.628 1.00 0.00 C ATOM 766 O LEU A 645 189.830 3.336 4.283 1.00 0.00 O ATOM 767 CB LEU A 645 192.262 1.393 4.972 1.00 0.00 C ATOM 768 CG LEU A 645 193.681 0.825 5.006 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.807 -0.232 6.093 1.00 0.00 C ATOM 770 CD2 LEU A 645 194.056 0.242 3.650 1.00 0.00 C ATOM 0 HA LEU A 645 192.414 1.974 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 645 192.067 1.900 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.557 0.564 4.903 1.00 0.00 H new ATOM 0 HG LEU A 645 194.371 1.638 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.824 -0.625 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.581 0.214 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 645 193.106 -1.043 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 645 195.069 -0.157 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.361 -0.558 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 645 194.006 1.023 2.892 1.00 0.00 H new ATOM 782 N GLY A 646 189.925 1.722 2.718 1.00 0.00 N ATOM 783 CA GLY A 646 188.500 1.781 2.447 1.00 0.00 C ATOM 784 C GLY A 646 187.929 0.441 2.026 1.00 0.00 C ATOM 785 O GLY A 646 188.569 -0.596 2.202 1.00 0.00 O ATOM 0 H GLY A 646 190.439 1.038 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.979 2.130 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 646 188.314 2.514 1.662 1.00 0.00 H new ATOM 789 N ALA A 647 186.721 0.464 1.471 1.00 0.00 N ATOM 790 CA ALA A 647 186.063 -0.759 1.025 1.00 0.00 C ATOM 791 C ALA A 647 185.645 -0.662 -0.440 1.00 0.00 C ATOM 792 O ALA A 647 185.338 0.423 -0.932 1.00 0.00 O ATOM 793 CB ALA A 647 184.855 -1.057 1.901 1.00 0.00 C ATOM 0 H ALA A 647 186.179 1.315 1.320 1.00 0.00 H new ATOM 0 HA ALA A 647 186.777 -1.577 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.373 -1.972 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 647 185.177 -1.183 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 647 184.148 -0.230 1.840 1.00 0.00 H new ATOM 799 N PHE A 648 185.634 -1.799 -1.135 1.00 0.00 N ATOM 800 CA PHE A 648 185.250 -1.824 -2.544 1.00 0.00 C ATOM 801 C PHE A 648 184.382 -3.039 -2.858 1.00 0.00 C ATOM 802 O PHE A 648 184.659 -4.144 -2.397 1.00 0.00 O ATOM 803 CB PHE A 648 186.496 -1.829 -3.432 1.00 0.00 C ATOM 804 CG PHE A 648 187.274 -0.545 -3.379 1.00 0.00 C ATOM 805 CD1 PHE A 648 186.859 0.562 -4.101 1.00 0.00 C ATOM 806 CD2 PHE A 648 188.421 -0.446 -2.606 1.00 0.00 C ATOM 807 CE1 PHE A 648 187.573 1.745 -4.054 1.00 0.00 C ATOM 808 CE2 PHE A 648 189.139 0.734 -2.556 1.00 0.00 C ATOM 809 CZ PHE A 648 188.714 1.831 -3.281 1.00 0.00 C ATOM 0 H PHE A 648 185.885 -2.709 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 648 184.667 -0.926 -2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 648 187.145 -2.651 -3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.197 -2.022 -4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 648 185.968 0.500 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 648 188.757 -1.300 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 648 187.239 2.601 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 648 190.031 0.799 -1.951 1.00 0.00 H new ATOM 0 HZ PHE A 648 189.273 2.754 -3.243 1.00 0.00 H new ATOM 819 N ILE A 649 183.334 -2.828 -3.651 1.00 0.00 N ATOM 820 CA ILE A 649 182.433 -3.913 -4.026 1.00 0.00 C ATOM 821 C ILE A 649 183.087 -4.835 -5.052 1.00 0.00 C ATOM 822 O ILE A 649 183.448 -4.404 -6.146 1.00 0.00 O ATOM 823 CB ILE A 649 181.106 -3.374 -4.608 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.373 -2.514 -3.576 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.217 -4.521 -5.066 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.436 -1.499 -4.196 1.00 0.00 C ATOM 0 H ILE A 649 183.089 -1.919 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 649 182.218 -4.474 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 649 181.342 -2.752 -5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.804 -3.164 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 649 181.107 -1.992 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.288 -4.121 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.732 -5.096 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.993 -5.169 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.950 -0.924 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 649 180.003 -0.826 -4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.680 -2.015 -4.788 1.00 0.00 H new ATOM 838 N THR A 650 183.241 -6.104 -4.692 1.00 0.00 N ATOM 839 CA THR A 650 183.855 -7.079 -5.587 1.00 0.00 C ATOM 840 C THR A 650 182.846 -7.593 -6.612 1.00 0.00 C ATOM 841 O THR A 650 183.212 -7.925 -7.739 1.00 0.00 O ATOM 842 CB THR A 650 184.437 -8.253 -4.795 1.00 0.00 C ATOM 843 OG1 THR A 650 183.419 -9.165 -4.428 1.00 0.00 O ATOM 844 CG2 THR A 650 185.158 -7.834 -3.531 1.00 0.00 C ATOM 0 H THR A 650 182.950 -6.481 -3.790 1.00 0.00 H new ATOM 0 HA THR A 650 184.664 -6.577 -6.117 1.00 0.00 H new ATOM 0 HB THR A 650 185.161 -8.717 -5.465 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.812 -9.908 -3.924 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.544 -8.717 -3.022 1.00 0.00 H new ATOM 0 HG22 THR A 650 185.986 -7.172 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 650 184.464 -7.310 -2.873 1.00 0.00 H new ATOM 852 N LYS A 651 181.577 -7.660 -6.217 1.00 0.00 N ATOM 853 CA LYS A 651 180.529 -8.140 -7.114 1.00 0.00 C ATOM 854 C LYS A 651 179.139 -7.764 -6.607 1.00 0.00 C ATOM 855 O LYS A 651 178.932 -7.568 -5.409 1.00 0.00 O ATOM 856 CB LYS A 651 180.631 -9.659 -7.279 1.00 0.00 C ATOM 857 CG LYS A 651 180.274 -10.439 -6.023 1.00 0.00 C ATOM 858 CD LYS A 651 180.495 -11.931 -6.212 1.00 0.00 C ATOM 859 CE LYS A 651 179.253 -12.613 -6.763 1.00 0.00 C ATOM 860 NZ LYS A 651 179.093 -13.993 -6.226 1.00 0.00 N ATOM 0 H LYS A 651 181.251 -7.390 -5.289 1.00 0.00 H new ATOM 0 HA LYS A 651 180.675 -7.659 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.972 -9.972 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.648 -9.915 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.878 -10.083 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.232 -10.255 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 651 181.332 -12.093 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 651 180.767 -12.383 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 651 178.372 -12.021 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 651 179.312 -12.651 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 178.117 -14.316 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 179.753 -14.633 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 179.297 -13.995 -5.206 1.00 0.00 H new ATOM 874 N VAL A 652 178.189 -7.674 -7.534 1.00 0.00 N ATOM 875 CA VAL A 652 176.808 -7.330 -7.197 1.00 0.00 C ATOM 876 C VAL A 652 175.832 -8.349 -7.775 1.00 0.00 C ATOM 877 O VAL A 652 175.913 -8.701 -8.953 1.00 0.00 O ATOM 878 CB VAL A 652 176.409 -5.925 -7.712 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.301 -4.938 -6.563 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.389 -5.417 -8.759 1.00 0.00 C ATOM 0 H VAL A 652 178.350 -7.835 -8.528 1.00 0.00 H new ATOM 0 HA VAL A 652 176.754 -7.334 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 652 175.431 -6.015 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 652 176.020 -3.959 -6.950 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.543 -5.281 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 652 177.262 -4.865 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 652 177.079 -4.429 -9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.386 -5.355 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.405 -6.103 -9.606 1.00 0.00 H new ATOM 890 N LYS A 653 174.903 -8.812 -6.946 1.00 0.00 N ATOM 891 CA LYS A 653 173.905 -9.781 -7.383 1.00 0.00 C ATOM 892 C LYS A 653 172.774 -9.082 -8.135 1.00 0.00 C ATOM 893 O LYS A 653 171.943 -8.402 -7.533 1.00 0.00 O ATOM 894 CB LYS A 653 173.343 -10.545 -6.182 1.00 0.00 C ATOM 895 CG LYS A 653 172.289 -11.575 -6.551 1.00 0.00 C ATOM 896 CD LYS A 653 172.865 -12.676 -7.426 1.00 0.00 C ATOM 897 CE LYS A 653 172.225 -14.021 -7.125 1.00 0.00 C ATOM 898 NZ LYS A 653 172.600 -14.527 -5.776 1.00 0.00 N ATOM 0 H LYS A 653 174.820 -8.532 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 653 174.386 -10.490 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 653 174.162 -11.046 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.911 -9.832 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 653 171.872 -12.011 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 653 171.468 -11.085 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 653 172.711 -12.426 -8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 653 173.942 -12.741 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 653 171.141 -13.929 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 653 172.529 -14.745 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 172.489 -15.561 -5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 173.590 -14.279 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 171.983 -14.095 -5.059 1.00 0.00 H new ATOM 912 N LYS A 654 172.754 -9.249 -9.454 1.00 0.00 N ATOM 913 CA LYS A 654 171.730 -8.630 -10.291 1.00 0.00 C ATOM 914 C LYS A 654 170.333 -9.094 -9.888 1.00 0.00 C ATOM 915 O LYS A 654 169.935 -10.222 -10.178 1.00 0.00 O ATOM 916 CB LYS A 654 171.983 -8.957 -11.766 1.00 0.00 C ATOM 917 CG LYS A 654 172.633 -7.820 -12.539 1.00 0.00 C ATOM 918 CD LYS A 654 172.449 -7.987 -14.041 1.00 0.00 C ATOM 919 CE LYS A 654 173.769 -7.870 -14.787 1.00 0.00 C ATOM 920 NZ LYS A 654 173.921 -8.933 -15.818 1.00 0.00 N ATOM 0 H LYS A 654 173.436 -9.808 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 654 171.786 -7.551 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 654 172.620 -9.839 -11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 654 171.036 -9.213 -12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 654 172.202 -6.870 -12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 654 173.697 -7.781 -12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 654 172.000 -8.959 -14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 654 171.755 -7.231 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 654 173.831 -6.891 -15.263 1.00 0.00 H new ATOM 0 HE3 LYS A 654 174.594 -7.932 -14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 174.833 -8.818 -16.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 173.887 -9.867 -15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 173.149 -8.858 -16.510 1.00 0.00 H new ATOM 934 N GLY A 655 169.592 -8.215 -9.218 1.00 0.00 N ATOM 935 CA GLY A 655 168.249 -8.554 -8.787 1.00 0.00 C ATOM 936 C GLY A 655 168.062 -8.385 -7.294 1.00 0.00 C ATOM 937 O GLY A 655 166.951 -8.134 -6.824 1.00 0.00 O ATOM 0 H GLY A 655 169.898 -7.275 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.532 -7.925 -9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 655 168.031 -9.586 -9.063 1.00 0.00 H new ATOM 941 N SER A 656 169.150 -8.522 -6.545 1.00 0.00 N ATOM 942 CA SER A 656 169.102 -8.384 -5.096 1.00 0.00 C ATOM 943 C SER A 656 168.733 -6.958 -4.699 1.00 0.00 C ATOM 944 O SER A 656 168.664 -6.065 -5.543 1.00 0.00 O ATOM 945 CB SER A 656 170.451 -8.764 -4.484 1.00 0.00 C ATOM 946 OG SER A 656 170.283 -9.399 -3.230 1.00 0.00 O ATOM 0 H SER A 656 170.076 -8.729 -6.918 1.00 0.00 H new ATOM 0 HA SER A 656 168.335 -9.058 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 656 170.987 -9.428 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 656 171.063 -7.870 -4.363 1.00 0.00 H new ATOM 0 HG SER A 656 170.050 -8.730 -2.553 1.00 0.00 H new ATOM 952 N LEU A 657 168.494 -6.753 -3.409 1.00 0.00 N ATOM 953 CA LEU A 657 168.127 -5.437 -2.896 1.00 0.00 C ATOM 954 C LEU A 657 169.176 -4.390 -3.250 1.00 0.00 C ATOM 955 O LEU A 657 168.856 -3.328 -3.781 1.00 0.00 O ATOM 956 CB LEU A 657 167.948 -5.490 -1.377 1.00 0.00 C ATOM 957 CG LEU A 657 167.020 -6.596 -0.867 1.00 0.00 C ATOM 958 CD1 LEU A 657 167.816 -7.675 -0.150 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.955 -6.017 0.054 1.00 0.00 C ATOM 0 H LEU A 657 168.548 -7.482 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 657 167.185 -5.152 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 657 168.927 -5.619 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.561 -4.529 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 657 166.524 -7.050 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 657 167.139 -8.452 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 657 168.540 -8.111 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 657 168.341 -7.236 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.305 -6.818 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.434 -5.536 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.363 -5.282 -0.491 1.00 0.00 H new ATOM 971 N ALA A 658 170.428 -4.695 -2.941 1.00 0.00 N ATOM 972 CA ALA A 658 171.536 -3.781 -3.207 1.00 0.00 C ATOM 973 C ALA A 658 171.485 -3.229 -4.626 1.00 0.00 C ATOM 974 O ALA A 658 171.867 -2.087 -4.870 1.00 0.00 O ATOM 975 CB ALA A 658 172.864 -4.480 -2.968 1.00 0.00 C ATOM 0 H ALA A 658 170.706 -5.573 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 658 171.441 -2.941 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.681 -3.788 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 658 172.918 -4.813 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 658 172.946 -5.341 -3.631 1.00 0.00 H new ATOM 981 N ASP A 659 171.024 -4.051 -5.559 1.00 0.00 N ATOM 982 CA ASP A 659 170.939 -3.648 -6.958 1.00 0.00 C ATOM 983 C ASP A 659 169.701 -2.795 -7.224 1.00 0.00 C ATOM 984 O ASP A 659 169.786 -1.737 -7.846 1.00 0.00 O ATOM 985 CB ASP A 659 170.924 -4.881 -7.863 1.00 0.00 C ATOM 986 CG ASP A 659 170.941 -4.520 -9.335 1.00 0.00 C ATOM 987 OD1 ASP A 659 171.983 -4.024 -9.812 1.00 0.00 O ATOM 988 OD2 ASP A 659 169.912 -4.732 -10.011 1.00 0.00 O ATOM 0 H ASP A 659 170.703 -5.001 -5.373 1.00 0.00 H new ATOM 0 HA ASP A 659 171.818 -3.044 -7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.788 -5.506 -7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 659 170.036 -5.475 -7.648 1.00 0.00 H new ATOM 993 N VAL A 660 168.551 -3.274 -6.769 1.00 0.00 N ATOM 994 CA VAL A 660 167.290 -2.563 -6.978 1.00 0.00 C ATOM 995 C VAL A 660 167.181 -1.305 -6.115 1.00 0.00 C ATOM 996 O VAL A 660 166.861 -0.229 -6.621 1.00 0.00 O ATOM 997 CB VAL A 660 166.061 -3.463 -6.716 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.663 -4.202 -7.984 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.324 -4.447 -5.584 1.00 0.00 C ATOM 0 H VAL A 660 168.462 -4.150 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 660 167.295 -2.269 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 660 165.235 -2.820 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.796 -4.831 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.414 -3.481 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.493 -4.825 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.440 -5.064 -5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 660 167.169 -5.084 -5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.551 -3.898 -4.670 1.00 0.00 H new ATOM 1009 N VAL A 661 167.433 -1.436 -4.815 1.00 0.00 N ATOM 1010 CA VAL A 661 167.342 -0.293 -3.909 1.00 0.00 C ATOM 1011 C VAL A 661 168.661 0.475 -3.836 1.00 0.00 C ATOM 1012 O VAL A 661 168.669 1.689 -3.630 1.00 0.00 O ATOM 1013 CB VAL A 661 166.917 -0.720 -2.488 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.945 -1.652 -1.864 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.692 0.501 -1.608 1.00 0.00 C ATOM 0 H VAL A 661 167.699 -2.313 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 661 166.575 0.363 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 661 165.977 -1.266 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.619 -1.936 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 661 168.047 -2.546 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.907 -1.143 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.393 0.180 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.615 1.077 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.907 1.121 -2.040 1.00 0.00 H new ATOM 1025 N GLY A 662 169.773 -0.232 -4.010 1.00 0.00 N ATOM 1026 CA GLY A 662 171.073 0.412 -3.961 1.00 0.00 C ATOM 1027 C GLY A 662 171.535 0.880 -5.327 1.00 0.00 C ATOM 1028 O GLY A 662 171.898 2.043 -5.506 1.00 0.00 O ATOM 0 H GLY A 662 169.797 -1.237 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 662 171.028 1.264 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.805 -0.283 -3.551 1.00 0.00 H new ATOM 1032 N HIS A 663 171.515 -0.031 -6.293 1.00 0.00 N ATOM 1033 CA HIS A 663 171.926 0.281 -7.656 1.00 0.00 C ATOM 1034 C HIS A 663 173.402 0.671 -7.723 1.00 0.00 C ATOM 1035 O HIS A 663 173.737 1.829 -7.974 1.00 0.00 O ATOM 1036 CB HIS A 663 171.058 1.407 -8.225 1.00 0.00 C ATOM 1037 CG HIS A 663 170.661 1.191 -9.653 1.00 0.00 C ATOM 1038 ND1 HIS A 663 171.461 1.545 -10.719 1.00 0.00 N ATOM 1039 CD2 HIS A 663 169.538 0.656 -10.188 1.00 0.00 C ATOM 1040 CE1 HIS A 663 170.849 1.236 -11.848 1.00 0.00 C ATOM 1041 NE2 HIS A 663 169.681 0.694 -11.554 1.00 0.00 N ATOM 0 H HIS A 663 171.217 -0.997 -6.156 1.00 0.00 H new ATOM 0 HA HIS A 663 171.790 -0.618 -8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 663 170.159 1.505 -7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.601 2.349 -8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 663 168.689 0.271 -9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 663 171.238 1.399 -12.842 1.00 0.00 H new ATOM 0 HE2 HIS A 663 168.996 0.358 -12.231 1.00 0.00 H new ATOM 1050 N LEU A 664 174.282 -0.305 -7.519 1.00 0.00 N ATOM 1051 CA LEU A 664 175.718 -0.062 -7.582 1.00 0.00 C ATOM 1052 C LEU A 664 176.406 -1.209 -8.308 1.00 0.00 C ATOM 1053 O LEU A 664 175.766 -2.196 -8.670 1.00 0.00 O ATOM 1054 CB LEU A 664 176.323 0.138 -6.184 1.00 0.00 C ATOM 1055 CG LEU A 664 175.673 -0.656 -5.049 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.268 -0.151 -4.769 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.660 -2.137 -5.379 1.00 0.00 C ATOM 0 H LEU A 664 174.026 -1.270 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 664 175.881 0.861 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.380 -0.127 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.270 1.198 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 664 176.266 -0.511 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.828 -0.731 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.309 0.900 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.657 -0.258 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 664 175.194 -2.688 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 664 175.094 -2.301 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.683 -2.488 -5.517 1.00 0.00 H new ATOM 1069 N ARG A 665 177.705 -1.075 -8.532 1.00 0.00 N ATOM 1070 CA ARG A 665 178.462 -2.105 -9.232 1.00 0.00 C ATOM 1071 C ARG A 665 179.804 -2.355 -8.560 1.00 0.00 C ATOM 1072 O ARG A 665 180.303 -1.514 -7.813 1.00 0.00 O ATOM 1073 CB ARG A 665 178.682 -1.704 -10.693 1.00 0.00 C ATOM 1074 CG ARG A 665 177.394 -1.428 -11.454 1.00 0.00 C ATOM 1075 CD ARG A 665 177.100 -2.520 -12.470 1.00 0.00 C ATOM 1076 NE ARG A 665 176.024 -2.141 -13.384 1.00 0.00 N ATOM 1077 CZ ARG A 665 176.189 -1.332 -14.427 1.00 0.00 C ATOM 1078 NH1 ARG A 665 177.381 -0.814 -14.692 1.00 0.00 N ATOM 1079 NH2 ARG A 665 175.157 -1.037 -15.206 1.00 0.00 N ATOM 0 H ARG A 665 178.256 -0.267 -8.241 1.00 0.00 H new ATOM 0 HA ARG A 665 177.882 -3.027 -9.195 1.00 0.00 H new ATOM 0 HB2 ARG A 665 179.310 -0.814 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 665 179.229 -2.499 -11.200 1.00 0.00 H new ATOM 0 HG2 ARG A 665 176.565 -1.351 -10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 665 177.470 -0.467 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 665 178.002 -2.736 -13.042 1.00 0.00 H new ATOM 0 HD3 ARG A 665 176.826 -3.437 -11.948 1.00 0.00 H new ATOM 0 HE ARG A 665 175.092 -2.519 -13.212 1.00 0.00 H new ATOM 0 HH11 ARG A 665 178.178 -1.035 -14.095 1.00 0.00 H new ATOM 0 HH12 ARG A 665 177.501 -0.194 -15.493 1.00 0.00 H new ATOM 0 HH21 ARG A 665 174.238 -1.430 -15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 665 175.283 -0.417 -16.006 1.00 0.00 H new ATOM 1093 N ALA A 666 180.386 -3.517 -8.837 1.00 0.00 N ATOM 1094 CA ALA A 666 181.675 -3.876 -8.266 1.00 0.00 C ATOM 1095 C ALA A 666 182.725 -2.824 -8.600 1.00 0.00 C ATOM 1096 O ALA A 666 182.961 -2.517 -9.768 1.00 0.00 O ATOM 1097 CB ALA A 666 182.113 -5.242 -8.767 1.00 0.00 C ATOM 0 H ALA A 666 179.985 -4.224 -9.453 1.00 0.00 H new ATOM 0 HA ALA A 666 181.570 -3.920 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 666 183.079 -5.497 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.375 -5.990 -8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 666 182.199 -5.221 -9.853 1.00 0.00 H new ATOM 1103 N GLY A 667 183.341 -2.266 -7.567 1.00 0.00 N ATOM 1104 CA GLY A 667 184.347 -1.242 -7.767 1.00 0.00 C ATOM 1105 C GLY A 667 184.035 0.014 -6.978 1.00 0.00 C ATOM 1106 O GLY A 667 184.929 0.801 -6.670 1.00 0.00 O ATOM 0 H GLY A 667 183.161 -2.505 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.322 -1.627 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.412 -0.998 -8.827 1.00 0.00 H new ATOM 1110 N ASP A 668 182.760 0.194 -6.646 1.00 0.00 N ATOM 1111 CA ASP A 668 182.326 1.356 -5.881 1.00 0.00 C ATOM 1112 C ASP A 668 182.979 1.362 -4.504 1.00 0.00 C ATOM 1113 O ASP A 668 183.143 0.313 -3.881 1.00 0.00 O ATOM 1114 CB ASP A 668 180.801 1.362 -5.740 1.00 0.00 C ATOM 1115 CG ASP A 668 180.143 2.386 -6.644 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.059 3.565 -6.243 1.00 0.00 O ATOM 1117 OD2 ASP A 668 179.711 2.007 -7.754 1.00 0.00 O ATOM 0 H ASP A 668 182.010 -0.451 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 668 182.633 2.254 -6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.413 0.371 -5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.535 1.571 -4.704 1.00 0.00 H new ATOM 1122 N GLU A 669 183.355 2.545 -4.037 1.00 0.00 N ATOM 1123 CA GLU A 669 183.997 2.679 -2.736 1.00 0.00 C ATOM 1124 C GLU A 669 182.999 3.123 -1.674 1.00 0.00 C ATOM 1125 O GLU A 669 182.525 4.260 -1.690 1.00 0.00 O ATOM 1126 CB GLU A 669 185.153 3.676 -2.815 1.00 0.00 C ATOM 1127 CG GLU A 669 186.174 3.514 -1.700 1.00 0.00 C ATOM 1128 CD GLU A 669 187.232 4.598 -1.716 1.00 0.00 C ATOM 1129 OE1 GLU A 669 186.892 5.755 -2.042 1.00 0.00 O ATOM 1130 OE2 GLU A 669 188.402 4.290 -1.402 1.00 0.00 O ATOM 0 H GLU A 669 183.227 3.424 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 669 184.387 1.701 -2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.655 3.562 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.751 4.689 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.661 3.526 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.655 2.540 -1.792 1.00 0.00 H new ATOM 1137 N VAL A 670 182.688 2.223 -0.746 1.00 0.00 N ATOM 1138 CA VAL A 670 181.753 2.530 0.328 1.00 0.00 C ATOM 1139 C VAL A 670 182.500 3.026 1.562 1.00 0.00 C ATOM 1140 O VAL A 670 183.027 2.231 2.341 1.00 0.00 O ATOM 1141 CB VAL A 670 180.896 1.302 0.711 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.087 1.572 1.974 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.976 0.916 -0.437 1.00 0.00 C ATOM 0 H VAL A 670 183.070 1.277 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 670 181.089 3.312 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 670 181.570 0.470 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.493 0.692 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.764 1.796 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.425 2.421 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.380 0.050 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.315 1.751 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.573 0.671 -1.315 1.00 0.00 H new ATOM 1153 N LEU A 671 182.541 4.341 1.734 1.00 0.00 N ATOM 1154 CA LEU A 671 183.223 4.937 2.877 1.00 0.00 C ATOM 1155 C LEU A 671 182.361 4.865 4.137 1.00 0.00 C ATOM 1156 O LEU A 671 182.784 5.292 5.210 1.00 0.00 O ATOM 1157 CB LEU A 671 183.589 6.396 2.582 1.00 0.00 C ATOM 1158 CG LEU A 671 184.308 6.646 1.249 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.230 5.487 0.898 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.297 6.882 0.138 1.00 0.00 C ATOM 0 H LEU A 671 182.112 5.014 1.099 1.00 0.00 H new ATOM 0 HA LEU A 671 184.135 4.366 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.676 6.991 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.222 6.763 3.390 1.00 0.00 H new ATOM 0 HG LEU A 671 184.921 7.540 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.726 5.691 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 671 185.979 5.368 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.646 4.571 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.822 7.058 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.656 6.006 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.686 7.752 0.380 1.00 0.00 H new ATOM 1172 N GLU A 672 181.149 4.327 4.005 1.00 0.00 N ATOM 1173 CA GLU A 672 180.244 4.214 5.142 1.00 0.00 C ATOM 1174 C GLU A 672 179.456 2.909 5.099 1.00 0.00 C ATOM 1175 O GLU A 672 178.791 2.606 4.110 1.00 0.00 O ATOM 1176 CB GLU A 672 179.274 5.392 5.152 1.00 0.00 C ATOM 1177 CG GLU A 672 179.938 6.727 5.448 1.00 0.00 C ATOM 1178 CD GLU A 672 179.657 7.220 6.853 1.00 0.00 C ATOM 1179 OE1 GLU A 672 178.521 7.026 7.335 1.00 0.00 O ATOM 1180 OE2 GLU A 672 180.573 7.799 7.473 1.00 0.00 O ATOM 0 H GLU A 672 180.775 3.966 3.127 1.00 0.00 H new ATOM 0 HA GLU A 672 180.846 4.221 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.777 5.450 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.500 5.208 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 672 181.015 6.631 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 672 179.589 7.469 4.730 1.00 0.00 H new ATOM 1187 N TRP A 673 179.523 2.150 6.187 1.00 0.00 N ATOM 1188 CA TRP A 673 178.803 0.887 6.288 1.00 0.00 C ATOM 1189 C TRP A 673 178.039 0.821 7.606 1.00 0.00 C ATOM 1190 O TRP A 673 178.639 0.786 8.679 1.00 0.00 O ATOM 1191 CB TRP A 673 179.771 -0.290 6.187 1.00 0.00 C ATOM 1192 CG TRP A 673 179.089 -1.606 5.966 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.461 -2.376 6.903 1.00 0.00 C ATOM 1194 CD2 TRP A 673 178.969 -2.307 4.725 1.00 0.00 C ATOM 1195 NE1 TRP A 673 177.964 -3.516 6.320 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.263 -3.497 4.983 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.393 -2.044 3.421 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 177.973 -4.422 3.983 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.102 -2.962 2.430 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.399 -4.138 2.716 1.00 0.00 C ATOM 0 H TRP A 673 180.071 2.389 7.014 1.00 0.00 H new ATOM 0 HA TRP A 673 178.093 0.827 5.463 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.467 -0.108 5.368 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.361 -0.345 7.102 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.369 -2.125 7.949 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.455 -4.256 6.804 1.00 0.00 H new ATOM 0 HE3 TRP A 673 179.938 -1.140 3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.431 -5.331 4.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.423 -2.769 1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.189 -4.836 1.919 1.00 0.00 H new ATOM 1211 N ASN A 674 176.714 0.810 7.522 1.00 0.00 N ATOM 1212 CA ASN A 674 175.877 0.757 8.715 1.00 0.00 C ATOM 1213 C ASN A 674 176.033 2.031 9.538 1.00 0.00 C ATOM 1214 O ASN A 674 176.003 2.000 10.768 1.00 0.00 O ATOM 1215 CB ASN A 674 176.232 -0.465 9.564 1.00 0.00 C ATOM 1216 CG ASN A 674 175.052 -0.971 10.369 1.00 0.00 C ATOM 1217 OD1 ASN A 674 174.986 -0.782 11.584 1.00 0.00 O ATOM 1218 ND2 ASN A 674 174.110 -1.621 9.694 1.00 0.00 N ATOM 0 H ASN A 674 176.197 0.837 6.643 1.00 0.00 H new ATOM 0 HA ASN A 674 174.837 0.673 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.594 -1.262 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.047 -0.210 10.241 1.00 0.00 H new ATOM 0 HD21 ASN A 674 173.292 -1.986 10.183 1.00 0.00 H new ATOM 0 HD22 ASN A 674 174.205 -1.755 8.687 1.00 0.00 H new ATOM 1225 N GLY A 675 176.188 3.152 8.844 1.00 0.00 N ATOM 1226 CA GLY A 675 176.333 4.433 9.510 1.00 0.00 C ATOM 1227 C GLY A 675 177.669 4.601 10.217 1.00 0.00 C ATOM 1228 O GLY A 675 177.806 5.469 11.080 1.00 0.00 O ATOM 0 H GLY A 675 176.216 3.197 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 675 176.216 5.230 8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.529 4.549 10.237 1.00 0.00 H new ATOM 1232 N LYS A 676 178.656 3.782 9.862 1.00 0.00 N ATOM 1233 CA LYS A 676 179.971 3.871 10.485 1.00 0.00 C ATOM 1234 C LYS A 676 181.007 4.377 9.495 1.00 0.00 C ATOM 1235 O LYS A 676 180.960 4.035 8.313 1.00 0.00 O ATOM 1236 CB LYS A 676 180.401 2.497 11.029 1.00 0.00 C ATOM 1237 CG LYS A 676 181.703 1.942 10.433 1.00 0.00 C ATOM 1238 CD LYS A 676 182.626 1.407 11.517 1.00 0.00 C ATOM 1239 CE LYS A 676 183.109 2.515 12.438 1.00 0.00 C ATOM 1240 NZ LYS A 676 184.062 2.008 13.464 1.00 0.00 N ATOM 0 H LYS A 676 178.570 3.055 9.152 1.00 0.00 H new ATOM 0 HA LYS A 676 179.904 4.578 11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.517 2.571 12.110 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.600 1.782 10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.471 1.146 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 676 182.213 2.727 9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 676 182.102 0.650 12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 676 183.483 0.917 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 676 183.592 3.294 11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 676 182.253 2.975 12.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 184.368 2.794 14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 183.594 1.283 14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 184.891 1.592 12.993 1.00 0.00 H new ATOM 1254 N PRO A 677 181.982 5.168 9.964 1.00 0.00 N ATOM 1255 CA PRO A 677 183.037 5.663 9.099 1.00 0.00 C ATOM 1256 C PRO A 677 184.109 4.599 8.891 1.00 0.00 C ATOM 1257 O PRO A 677 184.744 4.143 9.842 1.00 0.00 O ATOM 1258 CB PRO A 677 183.594 6.844 9.888 1.00 0.00 C ATOM 1259 CG PRO A 677 183.396 6.462 11.317 1.00 0.00 C ATOM 1260 CD PRO A 677 182.151 5.611 11.361 1.00 0.00 C ATOM 0 HA PRO A 677 182.689 5.933 8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.648 7.010 9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 677 183.067 7.767 9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 677 184.257 5.911 11.695 1.00 0.00 H new ATOM 0 HG3 PRO A 677 183.284 7.347 11.944 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.268 4.765 12.038 1.00 0.00 H new ATOM 0 HD3 PRO A 677 181.289 6.180 11.708 1.00 0.00 H new ATOM 1268 N LEU A 678 184.291 4.206 7.642 1.00 0.00 N ATOM 1269 CA LEU A 678 185.271 3.189 7.285 1.00 0.00 C ATOM 1270 C LEU A 678 186.657 3.781 6.997 1.00 0.00 C ATOM 1271 O LEU A 678 187.667 3.125 7.249 1.00 0.00 O ATOM 1272 CB LEU A 678 184.785 2.392 6.073 1.00 0.00 C ATOM 1273 CG LEU A 678 183.397 1.766 6.229 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.908 1.218 4.896 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.415 0.671 7.289 1.00 0.00 C ATOM 0 H LEU A 678 183.768 4.579 6.850 1.00 0.00 H new ATOM 0 HA LEU A 678 185.373 2.529 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.776 3.050 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.504 1.600 5.865 1.00 0.00 H new ATOM 0 HG LEU A 678 182.705 2.542 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.920 0.776 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.852 2.028 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.602 0.457 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.418 0.240 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 678 184.121 -0.107 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.719 1.096 8.246 1.00 0.00 H new ATOM 1287 N PRO A 679 186.747 5.020 6.461 1.00 0.00 N ATOM 1288 CA PRO A 679 188.037 5.645 6.155 1.00 0.00 C ATOM 1289 C PRO A 679 189.070 5.425 7.258 1.00 0.00 C ATOM 1290 O PRO A 679 188.959 5.982 8.349 1.00 0.00 O ATOM 1291 CB PRO A 679 187.678 7.122 6.032 1.00 0.00 C ATOM 1292 CG PRO A 679 186.287 7.114 5.504 1.00 0.00 C ATOM 1293 CD PRO A 679 185.618 5.904 6.104 1.00 0.00 C ATOM 0 HA PRO A 679 188.499 5.226 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.736 7.628 6.996 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.358 7.643 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.760 8.027 5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.284 7.061 4.415 1.00 0.00 H new ATOM 0 HD2 PRO A 679 185.024 6.168 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.944 5.426 5.393 1.00 0.00 H new ATOM 1301 N GLY A 680 190.070 4.600 6.961 1.00 0.00 N ATOM 1302 CA GLY A 680 191.107 4.305 7.931 1.00 0.00 C ATOM 1303 C GLY A 680 190.993 2.902 8.501 1.00 0.00 C ATOM 1304 O GLY A 680 191.878 2.446 9.223 1.00 0.00 O ATOM 0 H GLY A 680 190.180 4.130 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 680 192.083 4.424 7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 680 191.055 5.029 8.744 1.00 0.00 H new ATOM 1308 N ALA A 681 189.898 2.216 8.176 1.00 0.00 N ATOM 1309 CA ALA A 681 189.671 0.860 8.660 1.00 0.00 C ATOM 1310 C ALA A 681 190.257 -0.170 7.698 1.00 0.00 C ATOM 1311 O ALA A 681 190.004 -0.124 6.495 1.00 0.00 O ATOM 1312 CB ALA A 681 188.182 0.617 8.862 1.00 0.00 C ATOM 0 H ALA A 681 189.155 2.580 7.579 1.00 0.00 H new ATOM 0 HA ALA A 681 190.178 0.749 9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.025 -0.399 9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 681 187.793 1.326 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.660 0.750 7.914 1.00 0.00 H new ATOM 1318 N THR A 682 191.038 -1.097 8.241 1.00 0.00 N ATOM 1319 CA THR A 682 191.661 -2.140 7.435 1.00 0.00 C ATOM 1320 C THR A 682 190.714 -3.322 7.251 1.00 0.00 C ATOM 1321 O THR A 682 189.582 -3.303 7.736 1.00 0.00 O ATOM 1322 CB THR A 682 192.970 -2.600 8.085 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.470 -3.769 7.455 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.832 -2.893 9.563 1.00 0.00 C ATOM 0 H THR A 682 191.255 -1.147 9.236 1.00 0.00 H new ATOM 0 HA THR A 682 191.883 -1.727 6.451 1.00 0.00 H new ATOM 0 HB THR A 682 193.660 -1.766 7.959 1.00 0.00 H new ATOM 0 HG1 THR A 682 194.307 -4.041 7.887 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.794 -3.214 9.962 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.505 -1.993 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 682 192.097 -3.684 9.710 1.00 0.00 H new ATOM 1332 N ASN A 683 191.181 -4.346 6.543 1.00 0.00 N ATOM 1333 CA ASN A 683 190.377 -5.539 6.283 1.00 0.00 C ATOM 1334 C ASN A 683 189.662 -6.021 7.545 1.00 0.00 C ATOM 1335 O ASN A 683 188.436 -6.124 7.573 1.00 0.00 O ATOM 1336 CB ASN A 683 191.256 -6.667 5.736 1.00 0.00 C ATOM 1337 CG ASN A 683 192.188 -6.202 4.633 1.00 0.00 C ATOM 1338 OD1 ASN A 683 193.168 -5.502 4.889 1.00 0.00 O ATOM 1339 ND2 ASN A 683 191.886 -6.589 3.400 1.00 0.00 N ATOM 0 H ASN A 683 192.116 -4.375 6.137 1.00 0.00 H new ATOM 0 HA ASN A 683 189.625 -5.268 5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 683 191.845 -7.090 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 683 190.619 -7.466 5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 683 192.476 -6.306 2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 683 191.064 -7.169 3.235 1.00 0.00 H new ATOM 1346 N GLU A 684 190.436 -6.324 8.580 1.00 0.00 N ATOM 1347 CA GLU A 684 189.878 -6.809 9.838 1.00 0.00 C ATOM 1348 C GLU A 684 188.908 -5.803 10.446 1.00 0.00 C ATOM 1349 O GLU A 684 187.921 -6.188 11.074 1.00 0.00 O ATOM 1350 CB GLU A 684 190.999 -7.129 10.830 1.00 0.00 C ATOM 1351 CG GLU A 684 190.973 -8.562 11.334 1.00 0.00 C ATOM 1352 CD GLU A 684 192.114 -8.866 12.285 1.00 0.00 C ATOM 1353 OE1 GLU A 684 192.303 -8.098 13.251 1.00 0.00 O ATOM 1354 OE2 GLU A 684 192.821 -9.872 12.061 1.00 0.00 O ATOM 0 H GLU A 684 191.453 -6.243 8.574 1.00 0.00 H new ATOM 0 HA GLU A 684 189.321 -7.721 9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 684 191.960 -6.937 10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 684 190.924 -6.452 11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 684 190.025 -8.749 11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 684 191.022 -9.243 10.484 1.00 0.00 H new ATOM 1361 N GLU A 685 189.176 -4.517 10.253 1.00 0.00 N ATOM 1362 CA GLU A 685 188.301 -3.484 10.785 1.00 0.00 C ATOM 1363 C GLU A 685 186.924 -3.607 10.151 1.00 0.00 C ATOM 1364 O GLU A 685 185.933 -3.865 10.834 1.00 0.00 O ATOM 1365 CB GLU A 685 188.888 -2.098 10.518 1.00 0.00 C ATOM 1366 CG GLU A 685 188.781 -1.154 11.705 1.00 0.00 C ATOM 1367 CD GLU A 685 189.538 -1.655 12.919 1.00 0.00 C ATOM 1368 OE1 GLU A 685 188.997 -2.522 13.638 1.00 0.00 O ATOM 1369 OE2 GLU A 685 190.670 -1.182 13.152 1.00 0.00 O ATOM 0 H GLU A 685 189.984 -4.169 9.737 1.00 0.00 H new ATOM 0 HA GLU A 685 188.211 -3.614 11.863 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.937 -2.204 10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 685 188.377 -1.654 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 685 189.165 -0.174 11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 685 187.731 -1.022 11.966 1.00 0.00 H new ATOM 1376 N VAL A 686 186.880 -3.446 8.831 1.00 0.00 N ATOM 1377 CA VAL A 686 185.641 -3.556 8.075 1.00 0.00 C ATOM 1378 C VAL A 686 184.849 -4.793 8.494 1.00 0.00 C ATOM 1379 O VAL A 686 183.637 -4.729 8.696 1.00 0.00 O ATOM 1380 CB VAL A 686 185.922 -3.624 6.561 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.630 -3.807 5.782 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.658 -2.376 6.099 1.00 0.00 C ATOM 0 H VAL A 686 187.699 -3.237 8.260 1.00 0.00 H new ATOM 0 HA VAL A 686 185.051 -2.665 8.291 1.00 0.00 H new ATOM 0 HB VAL A 686 186.558 -4.488 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.851 -3.852 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 686 184.146 -4.733 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.964 -2.967 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.848 -2.441 5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 686 186.049 -1.496 6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.606 -2.294 6.631 1.00 0.00 H new ATOM 1392 N TYR A 687 185.546 -5.918 8.621 1.00 0.00 N ATOM 1393 CA TYR A 687 184.915 -7.175 9.015 1.00 0.00 C ATOM 1394 C TYR A 687 184.023 -6.980 10.235 1.00 0.00 C ATOM 1395 O TYR A 687 182.896 -7.471 10.281 1.00 0.00 O ATOM 1396 CB TYR A 687 185.977 -8.237 9.324 1.00 0.00 C ATOM 1397 CG TYR A 687 186.763 -8.717 8.118 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.668 -8.074 6.889 1.00 0.00 C ATOM 1399 CD2 TYR A 687 187.606 -9.818 8.216 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.388 -8.514 5.794 1.00 0.00 C ATOM 1401 CE2 TYR A 687 188.329 -10.263 7.125 1.00 0.00 C ATOM 1402 CZ TYR A 687 188.217 -9.608 5.917 1.00 0.00 C ATOM 1403 OH TYR A 687 188.937 -10.049 4.830 1.00 0.00 O ATOM 0 H TYR A 687 186.550 -5.986 8.457 1.00 0.00 H new ATOM 0 HA TYR A 687 184.300 -7.512 8.180 1.00 0.00 H new ATOM 0 HB2 TYR A 687 186.674 -7.832 10.057 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.490 -9.095 9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 687 186.020 -7.216 6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 687 187.698 -10.334 9.160 1.00 0.00 H new ATOM 0 HE1 TYR A 687 187.301 -8.003 4.847 1.00 0.00 H new ATOM 0 HE2 TYR A 687 188.979 -11.120 7.219 1.00 0.00 H new ATOM 0 HH TYR A 687 189.472 -10.829 5.087 1.00 0.00 H new ATOM 1413 N ASN A 688 184.540 -6.258 11.221 1.00 0.00 N ATOM 1414 CA ASN A 688 183.795 -5.992 12.447 1.00 0.00 C ATOM 1415 C ASN A 688 182.528 -5.200 12.146 1.00 0.00 C ATOM 1416 O ASN A 688 181.500 -5.385 12.796 1.00 0.00 O ATOM 1417 CB ASN A 688 184.666 -5.228 13.445 1.00 0.00 C ATOM 1418 CG ASN A 688 185.495 -6.153 14.316 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.067 -6.550 15.400 1.00 0.00 O ATOM 1420 ND2 ASN A 688 186.687 -6.500 13.845 1.00 0.00 N ATOM 0 H ASN A 688 185.473 -5.846 11.197 1.00 0.00 H new ATOM 0 HA ASN A 688 183.511 -6.948 12.887 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.329 -4.553 12.903 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.030 -4.609 14.079 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.289 -7.120 14.387 1.00 0.00 H new ATOM 0 HD22 ASN A 688 187.001 -6.147 12.941 1.00 0.00 H new ATOM 1427 N ILE A 689 182.609 -4.320 11.155 1.00 0.00 N ATOM 1428 CA ILE A 689 181.466 -3.503 10.764 1.00 0.00 C ATOM 1429 C ILE A 689 180.368 -4.370 10.154 1.00 0.00 C ATOM 1430 O ILE A 689 179.272 -4.477 10.705 1.00 0.00 O ATOM 1431 CB ILE A 689 181.875 -2.403 9.757 1.00 0.00 C ATOM 1432 CG1 ILE A 689 182.780 -1.371 10.432 1.00 0.00 C ATOM 1433 CG2 ILE A 689 180.647 -1.722 9.165 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.241 -1.758 10.441 1.00 0.00 C ATOM 0 H ILE A 689 183.454 -4.154 10.608 1.00 0.00 H new ATOM 0 HA ILE A 689 181.087 -3.023 11.666 1.00 0.00 H new ATOM 0 HB ILE A 689 182.427 -2.876 8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 689 182.670 -0.415 9.921 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.446 -1.224 11.459 1.00 0.00 H new ATOM 0 HG21 ILE A 689 180.962 -0.953 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.036 -2.461 8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.064 -1.265 9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 689 184.821 -0.979 10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.365 -2.698 10.978 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.592 -1.876 9.416 1.00 0.00 H new ATOM 1446 N ILE A 690 180.667 -4.986 9.013 1.00 0.00 N ATOM 1447 CA ILE A 690 179.701 -5.841 8.331 1.00 0.00 C ATOM 1448 C ILE A 690 179.138 -6.900 9.275 1.00 0.00 C ATOM 1449 O ILE A 690 177.932 -6.960 9.500 1.00 0.00 O ATOM 1450 CB ILE A 690 180.328 -6.519 7.092 1.00 0.00 C ATOM 1451 CG1 ILE A 690 180.489 -5.497 5.966 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.481 -7.698 6.619 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.923 -5.230 5.586 1.00 0.00 C ATOM 0 H ILE A 690 181.569 -4.909 8.543 1.00 0.00 H new ATOM 0 HA ILE A 690 178.883 -5.201 7.999 1.00 0.00 H new ATOM 0 HB ILE A 690 181.309 -6.903 7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 690 179.950 -5.851 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 690 180.023 -4.560 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.948 -8.154 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 690 179.406 -8.436 7.418 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.484 -7.347 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.955 -4.495 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 690 182.463 -4.845 6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 690 182.389 -6.156 5.250 1.00 0.00 H new ATOM 1465 N LEU A 691 180.017 -7.733 9.827 1.00 0.00 N ATOM 1466 CA LEU A 691 179.595 -8.786 10.749 1.00 0.00 C ATOM 1467 C LEU A 691 178.633 -8.240 11.799 1.00 0.00 C ATOM 1468 O LEU A 691 177.569 -8.807 12.041 1.00 0.00 O ATOM 1469 CB LEU A 691 180.814 -9.408 11.433 1.00 0.00 C ATOM 1470 CG LEU A 691 181.488 -10.547 10.663 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.413 -10.312 9.160 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.934 -10.697 11.105 1.00 0.00 C ATOM 0 H LEU A 691 181.022 -7.700 9.653 1.00 0.00 H new ATOM 0 HA LEU A 691 179.076 -9.552 10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.551 -8.624 11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.509 -9.783 12.410 1.00 0.00 H new ATOM 0 HG LEU A 691 180.954 -11.471 10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.899 -11.136 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.369 -10.254 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.917 -9.378 8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.402 -11.510 10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.472 -9.769 10.911 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.967 -10.920 12.172 1.00 0.00 H new ATOM 1484 N GLU A 692 179.019 -7.133 12.412 1.00 0.00 N ATOM 1485 CA GLU A 692 178.195 -6.497 13.434 1.00 0.00 C ATOM 1486 C GLU A 692 176.854 -6.049 12.856 1.00 0.00 C ATOM 1487 O GLU A 692 175.872 -5.903 13.583 1.00 0.00 O ATOM 1488 CB GLU A 692 178.926 -5.293 14.030 1.00 0.00 C ATOM 1489 CG GLU A 692 179.990 -5.667 15.050 1.00 0.00 C ATOM 1490 CD GLU A 692 179.501 -5.535 16.478 1.00 0.00 C ATOM 1491 OE1 GLU A 692 179.279 -4.391 16.926 1.00 0.00 O ATOM 1492 OE2 GLU A 692 179.342 -6.576 17.149 1.00 0.00 O ATOM 0 H GLU A 692 179.899 -6.653 12.221 1.00 0.00 H new ATOM 0 HA GLU A 692 178.007 -7.230 14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.392 -4.726 13.224 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.197 -4.635 14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 692 180.312 -6.693 14.874 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.863 -5.030 14.909 1.00 0.00 H new ATOM 1499 N SER A 693 176.823 -5.823 11.545 1.00 0.00 N ATOM 1500 CA SER A 693 175.605 -5.379 10.873 1.00 0.00 C ATOM 1501 C SER A 693 174.895 -6.531 10.160 1.00 0.00 C ATOM 1502 O SER A 693 173.752 -6.385 9.728 1.00 0.00 O ATOM 1503 CB SER A 693 175.933 -4.273 9.868 1.00 0.00 C ATOM 1504 OG SER A 693 176.935 -4.692 8.958 1.00 0.00 O ATOM 0 H SER A 693 177.626 -5.940 10.928 1.00 0.00 H new ATOM 0 HA SER A 693 174.931 -4.993 11.638 1.00 0.00 H new ATOM 0 HB2 SER A 693 175.032 -3.996 9.320 1.00 0.00 H new ATOM 0 HB3 SER A 693 176.269 -3.382 10.399 1.00 0.00 H new ATOM 0 HG SER A 693 177.014 -5.668 8.986 1.00 0.00 H new ATOM 1510 N LYS A 694 175.569 -7.672 10.036 1.00 0.00 N ATOM 1511 CA LYS A 694 174.979 -8.829 9.371 1.00 0.00 C ATOM 1512 C LYS A 694 173.740 -9.317 10.120 1.00 0.00 C ATOM 1513 O LYS A 694 172.906 -10.029 9.560 1.00 0.00 O ATOM 1514 CB LYS A 694 176.006 -9.960 9.246 1.00 0.00 C ATOM 1515 CG LYS A 694 176.298 -10.680 10.554 1.00 0.00 C ATOM 1516 CD LYS A 694 175.920 -12.152 10.482 1.00 0.00 C ATOM 1517 CE LYS A 694 177.151 -13.040 10.381 1.00 0.00 C ATOM 1518 NZ LYS A 694 176.980 -14.312 11.135 1.00 0.00 N ATOM 0 H LYS A 694 176.516 -7.819 10.384 1.00 0.00 H new ATOM 0 HA LYS A 694 174.674 -8.523 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 694 175.645 -10.685 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 694 176.937 -9.550 8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 694 177.358 -10.588 10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 694 175.747 -10.202 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 694 175.345 -12.425 11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 694 175.276 -12.321 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 694 177.353 -13.263 9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 694 178.018 -12.504 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 177.840 -14.889 11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 176.812 -14.100 12.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 176.168 -14.836 10.752 1.00 0.00 H new ATOM 1532 N SER A 695 173.623 -8.924 11.385 1.00 0.00 N ATOM 1533 CA SER A 695 172.483 -9.318 12.206 1.00 0.00 C ATOM 1534 C SER A 695 171.448 -8.196 12.285 1.00 0.00 C ATOM 1535 O SER A 695 170.312 -8.418 12.705 1.00 0.00 O ATOM 1536 CB SER A 695 172.948 -9.694 13.614 1.00 0.00 C ATOM 1537 OG SER A 695 171.918 -10.350 14.333 1.00 0.00 O ATOM 0 H SER A 695 174.303 -8.333 11.863 1.00 0.00 H new ATOM 0 HA SER A 695 172.016 -10.185 11.738 1.00 0.00 H new ATOM 0 HB2 SER A 695 173.822 -10.343 13.551 1.00 0.00 H new ATOM 0 HB3 SER A 695 173.256 -8.796 14.151 1.00 0.00 H new ATOM 0 HG SER A 695 171.069 -9.883 14.188 1.00 0.00 H new ATOM 1543 N GLU A 696 171.844 -6.990 11.879 1.00 0.00 N ATOM 1544 CA GLU A 696 170.946 -5.843 11.908 1.00 0.00 C ATOM 1545 C GLU A 696 169.833 -6.002 10.874 1.00 0.00 C ATOM 1546 O GLU A 696 170.080 -6.448 9.752 1.00 0.00 O ATOM 1547 CB GLU A 696 171.726 -4.552 11.649 1.00 0.00 C ATOM 1548 CG GLU A 696 171.750 -3.606 12.838 1.00 0.00 C ATOM 1549 CD GLU A 696 173.065 -2.863 12.969 1.00 0.00 C ATOM 1550 OE1 GLU A 696 174.110 -3.529 13.128 1.00 0.00 O ATOM 1551 OE2 GLU A 696 173.049 -1.615 12.912 1.00 0.00 O ATOM 0 H GLU A 696 172.779 -6.785 11.527 1.00 0.00 H new ATOM 0 HA GLU A 696 170.492 -5.788 12.897 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.751 -4.805 11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 696 171.286 -4.037 10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 696 170.938 -2.885 12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 696 171.565 -4.172 13.751 1.00 0.00 H new ATOM 1558 N PRO A 697 168.588 -5.642 11.234 1.00 0.00 N ATOM 1559 CA PRO A 697 167.441 -5.753 10.324 1.00 0.00 C ATOM 1560 C PRO A 697 167.584 -4.874 9.085 1.00 0.00 C ATOM 1561 O PRO A 697 166.843 -5.035 8.114 1.00 0.00 O ATOM 1562 CB PRO A 697 166.251 -5.283 11.171 1.00 0.00 C ATOM 1563 CG PRO A 697 166.716 -5.361 12.584 1.00 0.00 C ATOM 1564 CD PRO A 697 168.194 -5.107 12.547 1.00 0.00 C ATOM 0 HA PRO A 697 167.336 -6.769 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.960 -4.266 10.909 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.379 -5.916 11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.208 -4.622 13.203 1.00 0.00 H new ATOM 0 HG3 PRO A 697 166.499 -6.339 13.013 1.00 0.00 H new ATOM 0 HD2 PRO A 697 168.424 -4.045 12.636 1.00 0.00 H new ATOM 0 HD3 PRO A 697 168.711 -5.614 13.361 1.00 0.00 H new ATOM 1572 N GLN A 698 168.530 -3.938 9.119 1.00 0.00 N ATOM 1573 CA GLN A 698 168.747 -3.039 7.990 1.00 0.00 C ATOM 1574 C GLN A 698 170.171 -2.488 7.986 1.00 0.00 C ATOM 1575 O GLN A 698 170.874 -2.548 8.994 1.00 0.00 O ATOM 1576 CB GLN A 698 167.745 -1.884 8.039 1.00 0.00 C ATOM 1577 CG GLN A 698 167.873 -0.916 6.874 1.00 0.00 C ATOM 1578 CD GLN A 698 166.764 0.118 6.849 1.00 0.00 C ATOM 1579 OE1 GLN A 698 165.700 -0.109 6.273 1.00 0.00 O ATOM 1580 NE2 GLN A 698 167.008 1.264 7.477 1.00 0.00 N ATOM 0 H GLN A 698 169.154 -3.783 9.911 1.00 0.00 H new ATOM 0 HA GLN A 698 168.600 -3.610 7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.734 -2.292 8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 698 167.880 -1.336 8.972 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.836 -0.409 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 698 167.864 -1.476 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 698 167.904 1.410 7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 698 166.299 1.997 7.494 1.00 0.00 H new ATOM 1589 N VAL A 699 170.587 -1.954 6.841 1.00 0.00 N ATOM 1590 CA VAL A 699 171.925 -1.392 6.697 1.00 0.00 C ATOM 1591 C VAL A 699 171.902 -0.111 5.869 1.00 0.00 C ATOM 1592 O VAL A 699 171.054 0.065 4.993 1.00 0.00 O ATOM 1593 CB VAL A 699 172.889 -2.402 6.033 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.213 -1.736 5.669 1.00 0.00 C ATOM 1595 CG2 VAL A 699 173.122 -3.598 6.945 1.00 0.00 C ATOM 0 H VAL A 699 170.015 -1.899 5.998 1.00 0.00 H new ATOM 0 HA VAL A 699 172.280 -1.163 7.702 1.00 0.00 H new ATOM 0 HB VAL A 699 172.426 -2.756 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.873 -2.468 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 699 174.029 -0.918 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.684 -1.345 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.803 -4.298 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.558 -3.259 7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 699 172.172 -4.095 7.144 1.00 0.00 H new ATOM 1605 N GLU A 700 172.854 0.772 6.148 1.00 0.00 N ATOM 1606 CA GLU A 700 172.975 2.034 5.430 1.00 0.00 C ATOM 1607 C GLU A 700 174.406 2.217 4.942 1.00 0.00 C ATOM 1608 O GLU A 700 175.320 2.418 5.743 1.00 0.00 O ATOM 1609 CB GLU A 700 172.573 3.203 6.332 1.00 0.00 C ATOM 1610 CG GLU A 700 172.221 4.468 5.568 1.00 0.00 C ATOM 1611 CD GLU A 700 171.258 5.360 6.328 1.00 0.00 C ATOM 1612 OE1 GLU A 700 170.444 4.824 7.109 1.00 0.00 O ATOM 1613 OE2 GLU A 700 171.319 6.593 6.141 1.00 0.00 O ATOM 0 H GLU A 700 173.558 0.635 6.873 1.00 0.00 H new ATOM 0 HA GLU A 700 172.305 2.014 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.718 2.905 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.391 3.419 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.134 5.024 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 700 171.780 4.198 4.609 1.00 0.00 H new ATOM 1620 N ILE A 701 174.607 2.129 3.631 1.00 0.00 N ATOM 1621 CA ILE A 701 175.941 2.271 3.061 1.00 0.00 C ATOM 1622 C ILE A 701 176.033 3.467 2.125 1.00 0.00 C ATOM 1623 O ILE A 701 175.124 3.734 1.340 1.00 0.00 O ATOM 1624 CB ILE A 701 176.376 1.002 2.299 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.172 0.334 1.622 1.00 0.00 C ATOM 1626 CG2 ILE A 701 177.069 0.034 3.248 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.498 -0.988 0.962 1.00 0.00 C ATOM 0 H ILE A 701 173.868 1.961 2.948 1.00 0.00 H new ATOM 0 HA ILE A 701 176.614 2.428 3.904 1.00 0.00 H new ATOM 0 HB ILE A 701 177.081 1.289 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.391 0.175 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.766 1.013 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.372 -0.858 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.949 0.513 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.383 -0.246 4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.597 -1.399 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.256 -0.834 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.876 -1.685 1.710 1.00 0.00 H new ATOM 1639 N ILE A 702 177.150 4.180 2.215 1.00 0.00 N ATOM 1640 CA ILE A 702 177.388 5.351 1.381 1.00 0.00 C ATOM 1641 C ILE A 702 178.619 5.139 0.509 1.00 0.00 C ATOM 1642 O ILE A 702 179.570 4.478 0.921 1.00 0.00 O ATOM 1643 CB ILE A 702 177.578 6.622 2.238 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.610 6.622 3.425 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.385 7.871 1.391 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.158 6.438 3.032 1.00 0.00 C ATOM 0 H ILE A 702 177.909 3.965 2.862 1.00 0.00 H new ATOM 0 HA ILE A 702 176.511 5.488 0.748 1.00 0.00 H new ATOM 0 HB ILE A 702 178.596 6.624 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.894 5.826 4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.714 7.563 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.523 8.756 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.115 7.878 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.379 7.875 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.535 6.449 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.855 7.248 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.038 5.484 2.518 1.00 0.00 H new ATOM 1658 N VAL A 703 178.598 5.696 -0.697 1.00 0.00 N ATOM 1659 CA VAL A 703 179.720 5.550 -1.618 1.00 0.00 C ATOM 1660 C VAL A 703 180.163 6.893 -2.182 1.00 0.00 C ATOM 1661 O VAL A 703 179.593 7.936 -1.861 1.00 0.00 O ATOM 1662 CB VAL A 703 179.369 4.612 -2.785 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.321 3.169 -2.314 1.00 0.00 C ATOM 1664 CG2 VAL A 703 178.048 5.017 -3.421 1.00 0.00 C ATOM 0 H VAL A 703 177.821 6.250 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 703 180.538 5.119 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 703 180.149 4.698 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 703 179.071 2.520 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.294 2.885 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.564 3.065 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.818 4.341 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.254 4.964 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.124 6.036 -3.799 1.00 0.00 H new ATOM 1674 N SER A 704 181.188 6.856 -3.029 1.00 0.00 N ATOM 1675 CA SER A 704 181.717 8.067 -3.646 1.00 0.00 C ATOM 1676 C SER A 704 182.221 7.780 -5.058 1.00 0.00 C ATOM 1677 O SER A 704 183.198 7.056 -5.245 1.00 0.00 O ATOM 1678 CB SER A 704 182.850 8.645 -2.796 1.00 0.00 C ATOM 1679 OG SER A 704 182.362 9.131 -1.558 1.00 0.00 O ATOM 0 H SER A 704 181.669 5.999 -3.303 1.00 0.00 H new ATOM 0 HA SER A 704 180.910 8.797 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 704 183.603 7.877 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 704 183.341 9.453 -3.339 1.00 0.00 H new ATOM 0 HG SER A 704 183.106 9.493 -1.033 1.00 0.00 H new ATOM 1741 N GLY B 945 186.409 -9.926 0.574 1.00 0.00 N ATOM 1742 CA GLY B 945 186.516 -9.671 1.998 1.00 0.00 C ATOM 1743 C GLY B 945 185.271 -10.042 2.785 1.00 0.00 C ATOM 1744 O GLY B 945 185.353 -10.791 3.759 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.364 -10.229 2.394 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.730 -8.613 2.153 1.00 0.00 H new ATOM 1748 N ILE B 946 184.121 -9.497 2.393 1.00 0.00 N ATOM 1749 CA ILE B 946 182.876 -9.763 3.111 1.00 0.00 C ATOM 1750 C ILE B 946 181.720 -10.084 2.172 1.00 0.00 C ATOM 1751 O ILE B 946 181.713 -9.683 1.009 1.00 0.00 O ATOM 1752 CB ILE B 946 182.457 -8.561 3.992 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.470 -7.410 3.873 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.292 -8.999 5.444 1.00 0.00 C ATOM 1755 CD1 ILE B 946 184.546 -7.430 4.935 1.00 0.00 C ATOM 0 H ILE B 946 184.025 -8.875 1.591 1.00 0.00 H new ATOM 0 HA ILE B 946 183.082 -10.632 3.736 1.00 0.00 H new ATOM 0 HB ILE B 946 181.496 -8.192 3.635 1.00 0.00 H new ATOM 0 HG12 ILE B 946 183.941 -7.454 2.891 1.00 0.00 H new ATOM 0 HG13 ILE B 946 182.936 -6.461 3.928 1.00 0.00 H new ATOM 0 HG21 ILE B 946 181.997 -8.143 6.051 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.524 -9.770 5.506 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.237 -9.398 5.813 1.00 0.00 H new ATOM 0 HD11 ILE B 946 185.222 -6.588 4.784 1.00 0.00 H new ATOM 0 HD12 ILE B 946 184.086 -7.355 5.920 1.00 0.00 H new ATOM 0 HD13 ILE B 946 185.107 -8.362 4.867 1.00 0.00 H new ATOM 1767 N TRP B 947 180.728 -10.783 2.716 1.00 0.00 N ATOM 1768 CA TRP B 947 179.529 -11.145 1.968 1.00 0.00 C ATOM 1769 C TRP B 947 178.373 -10.251 2.393 1.00 0.00 C ATOM 1770 O TRP B 947 177.928 -10.304 3.541 1.00 0.00 O ATOM 1771 CB TRP B 947 179.167 -12.616 2.199 1.00 0.00 C ATOM 1772 CG TRP B 947 179.267 -13.464 0.964 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.710 -14.754 0.892 1.00 0.00 C ATOM 1774 CD2 TRP B 947 178.913 -13.087 -0.375 1.00 0.00 C ATOM 1775 NE1 TRP B 947 179.655 -15.201 -0.405 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.170 -14.198 -1.202 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.406 -11.921 -0.956 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 178.935 -14.174 -2.576 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.173 -11.899 -2.320 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.438 -13.020 -3.115 1.00 0.00 C ATOM 0 H TRP B 947 180.732 -11.112 3.681 1.00 0.00 H new ATOM 0 HA TRP B 947 179.725 -11.005 0.905 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.825 -13.027 2.965 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.150 -12.674 2.587 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.054 -15.338 1.733 1.00 0.00 H new ATOM 0 HE1 TRP B 947 179.931 -16.130 -0.724 1.00 0.00 H new ATOM 0 HE3 TRP B 947 178.199 -11.051 -0.350 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.138 -15.037 -3.193 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.781 -11.003 -2.778 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.246 -12.972 -4.177 1.00 0.00 H new ATOM 1791 N ALA B 948 177.895 -9.422 1.473 1.00 0.00 N ATOM 1792 CA ALA B 948 176.795 -8.515 1.766 1.00 0.00 C ATOM 1793 C ALA B 948 175.909 -8.316 0.541 1.00 0.00 C ATOM 1794 O ALA B 948 175.449 -9.325 -0.030 1.00 0.00 O ATOM 1795 CB ALA B 948 177.337 -7.180 2.256 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.686 -7.149 0.155 1.00 0.00 O ATOM 0 H ALA B 948 178.252 -9.360 0.520 1.00 0.00 H new ATOM 0 HA ALA B 948 176.184 -8.958 2.552 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.507 -6.508 2.473 1.00 0.00 H new ATOM 0 HB2 ALA B 948 177.924 -7.336 3.161 1.00 0.00 H new ATOM 0 HB3 ALA B 948 177.969 -6.739 1.485 1.00 0.00 H new