USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=13 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= -0.786! USER MOD Set 1.2: A 683 ASN : amide:sc= -1.93 K(o=-2.7,f=-1.7) USER MOD Set 2.1: A 674 ASN : amide:sc= -3.21! K(o=-2.4!,f=1.2) USER MOD Set 2.2: A 693 SER OG : rot 70:sc= 0.796 USER MOD Set 3.1: A 617 ASN : amide:sc= -4.82 K(o=-6.1,f=-7.4!) USER MOD Set 3.2: A 698 GLN : amide:sc= -1.3 K(o=-6.1,f=-5.1) USER MOD Single : A 618 LYS NZ :NH3+ -134:sc= -7.24! (180deg=-12.3!) USER MOD Single : A 633 LYS NZ :NH3+ 136:sc= 0.457 (180deg=0) USER MOD Single : A 638 LYS NZ :NH3+ -174:sc= -0.988 (180deg=-1.05) USER MOD Single : A 650 THR OG1 : rot 88:sc= -2.86 USER MOD Single : A 651 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.176) USER MOD Single : A 653 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0376) USER MOD Single : A 654 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 656 SER OG : rot -174:sc= -1.05 USER MOD Single : A 663 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 676 LYS NZ :NH3+ -126:sc= -0.0683 (180deg=-1.99!) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 688 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.27) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 SER OG : rot -43:sc= 0.089 USER MOD Single : A 704 SER OG : rot 34:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.139 9.740 -2.593 1.00 0.00 N ATOM 248 CA GLY A 612 174.799 9.222 -2.392 1.00 0.00 C ATOM 249 C GLY A 612 174.698 8.344 -1.161 1.00 0.00 C ATOM 250 O GLY A 612 175.710 7.869 -0.647 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.101 10.054 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.498 8.649 -3.269 1.00 0.00 H new ATOM 254 N ARG A 613 173.475 8.117 -0.693 1.00 0.00 N ATOM 255 CA ARG A 613 173.251 7.276 0.478 1.00 0.00 C ATOM 256 C ARG A 613 172.447 6.040 0.096 1.00 0.00 C ATOM 257 O ARG A 613 171.398 6.143 -0.540 1.00 0.00 O ATOM 258 CB ARG A 613 172.534 8.063 1.581 1.00 0.00 C ATOM 259 CG ARG A 613 171.114 8.479 1.228 1.00 0.00 C ATOM 260 CD ARG A 613 171.094 9.675 0.290 1.00 0.00 C ATOM 261 NE ARG A 613 170.250 10.755 0.797 1.00 0.00 N ATOM 262 CZ ARG A 613 168.932 10.657 0.948 1.00 0.00 C ATOM 263 NH1 ARG A 613 168.302 9.532 0.631 1.00 0.00 N ATOM 264 NH2 ARG A 613 168.240 11.686 1.418 1.00 0.00 N ATOM 0 H ARG A 613 172.625 8.502 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 613 174.220 6.956 0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 613 172.508 7.457 2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 613 173.115 8.956 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 613 170.595 7.642 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 613 170.569 8.723 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 613 172.110 10.044 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 613 170.732 9.362 -0.689 1.00 0.00 H new ATOM 0 HE ARG A 613 170.698 11.636 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 613 168.829 8.737 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 613 167.291 9.463 0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 613 168.718 12.553 1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 613 167.229 11.611 1.534 1.00 0.00 H new ATOM 278 N VAL A 614 172.952 4.865 0.463 1.00 0.00 N ATOM 279 CA VAL A 614 172.279 3.619 0.129 1.00 0.00 C ATOM 280 C VAL A 614 171.812 2.877 1.376 1.00 0.00 C ATOM 281 O VAL A 614 172.589 2.638 2.299 1.00 0.00 O ATOM 282 CB VAL A 614 173.197 2.696 -0.696 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.464 1.426 -1.100 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.727 3.428 -1.919 1.00 0.00 C ATOM 0 H VAL A 614 173.819 4.752 0.988 1.00 0.00 H new ATOM 0 HA VAL A 614 171.406 3.885 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 614 174.045 2.411 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.131 0.790 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.141 0.892 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.593 1.685 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.373 2.762 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.892 3.746 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.296 4.302 -1.602 1.00 0.00 H new ATOM 294 N ILE A 615 170.538 2.505 1.384 1.00 0.00 N ATOM 295 CA ILE A 615 169.960 1.774 2.504 1.00 0.00 C ATOM 296 C ILE A 615 169.636 0.344 2.087 1.00 0.00 C ATOM 297 O ILE A 615 168.838 0.122 1.178 1.00 0.00 O ATOM 298 CB ILE A 615 168.675 2.447 3.034 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.690 3.954 2.756 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.520 2.184 4.525 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.920 4.657 3.289 1.00 0.00 C ATOM 0 H ILE A 615 169.884 2.698 0.625 1.00 0.00 H new ATOM 0 HA ILE A 615 170.701 1.775 3.303 1.00 0.00 H new ATOM 0 HB ILE A 615 167.822 2.015 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.626 4.117 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.803 4.406 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.610 2.664 4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.458 1.110 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.380 2.590 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 615 169.861 5.720 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.975 4.525 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.811 4.232 2.826 1.00 0.00 H new ATOM 313 N LEU A 616 170.263 -0.623 2.747 1.00 0.00 N ATOM 314 CA LEU A 616 170.037 -2.026 2.426 1.00 0.00 C ATOM 315 C LEU A 616 169.573 -2.805 3.651 1.00 0.00 C ATOM 316 O LEU A 616 169.900 -2.456 4.784 1.00 0.00 O ATOM 317 CB LEU A 616 171.310 -2.648 1.847 1.00 0.00 C ATOM 318 CG LEU A 616 171.327 -2.756 0.322 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.679 -3.241 -0.173 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.224 -3.687 -0.150 1.00 0.00 C ATOM 0 H LEU A 616 170.928 -0.462 3.503 1.00 0.00 H new ATOM 0 HA LEU A 616 169.246 -2.079 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.167 -2.054 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.437 -3.644 2.270 1.00 0.00 H new ATOM 0 HG LEU A 616 171.151 -1.764 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.665 -3.309 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.453 -2.539 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.890 -4.223 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.246 -3.756 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.375 -4.677 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.257 -3.297 0.169 1.00 0.00 H new ATOM 332 N ASN A 617 168.799 -3.860 3.412 1.00 0.00 N ATOM 333 CA ASN A 617 168.278 -4.689 4.492 1.00 0.00 C ATOM 334 C ASN A 617 168.519 -6.169 4.214 1.00 0.00 C ATOM 335 O ASN A 617 168.252 -6.656 3.117 1.00 0.00 O ATOM 336 CB ASN A 617 166.782 -4.432 4.668 1.00 0.00 C ATOM 337 CG ASN A 617 166.497 -3.112 5.357 1.00 0.00 C ATOM 338 OD1 ASN A 617 166.304 -3.060 6.571 1.00 0.00 O ATOM 339 ND2 ASN A 617 166.469 -2.035 4.581 1.00 0.00 N ATOM 0 H ASN A 617 168.519 -4.160 2.478 1.00 0.00 H new ATOM 0 HA ASN A 617 168.804 -4.424 5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.298 -4.440 3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 617 166.343 -5.243 5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 617 166.282 -1.118 4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 617 166.635 -2.124 3.579 1.00 0.00 H new ATOM 346 N LYS A 618 169.023 -6.880 5.218 1.00 0.00 N ATOM 347 CA LYS A 618 169.299 -8.307 5.085 1.00 0.00 C ATOM 348 C LYS A 618 168.124 -9.141 5.587 1.00 0.00 C ATOM 349 O LYS A 618 167.900 -10.259 5.122 1.00 0.00 O ATOM 350 CB LYS A 618 170.563 -8.679 5.862 1.00 0.00 C ATOM 351 CG LYS A 618 171.778 -7.845 5.492 1.00 0.00 C ATOM 352 CD LYS A 618 172.374 -7.143 6.703 1.00 0.00 C ATOM 353 CE LYS A 618 173.887 -7.024 6.592 1.00 0.00 C ATOM 354 NZ LYS A 618 174.311 -5.692 6.077 1.00 0.00 N ATOM 0 H LYS A 618 169.249 -6.491 6.134 1.00 0.00 H new ATOM 0 HA LYS A 618 169.450 -8.521 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.369 -8.567 6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 618 170.789 -9.731 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 618 172.533 -8.486 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 618 171.495 -7.103 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 618 171.936 -6.149 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 618 172.117 -7.695 7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 618 174.336 -7.193 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 618 174.263 -7.804 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 175.033 -5.819 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 173.489 -5.197 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 174.708 -5.129 6.856 1.00 0.00 H new ATOM 516 N LEU A 629 172.972 -11.981 1.834 1.00 0.00 N ATOM 517 CA LEU A 629 172.886 -10.935 2.847 1.00 0.00 C ATOM 518 C LEU A 629 171.936 -9.819 2.405 1.00 0.00 C ATOM 519 O LEU A 629 170.763 -9.815 2.776 1.00 0.00 O ATOM 520 CB LEU A 629 174.275 -10.355 3.164 1.00 0.00 C ATOM 521 CG LEU A 629 175.470 -11.308 3.008 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.311 -12.547 3.869 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.691 -11.693 1.550 1.00 0.00 C ATOM 0 HA LEU A 629 172.488 -11.389 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.440 -9.493 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.264 -9.987 4.190 1.00 0.00 H new ATOM 0 HG LEU A 629 176.353 -10.770 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 629 176.175 -13.198 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.238 -12.255 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.406 -13.079 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.544 -12.368 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.801 -12.191 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.887 -10.796 0.962 1.00 0.00 H new ATOM 535 N LEU A 630 172.441 -8.878 1.606 1.00 0.00 N ATOM 536 CA LEU A 630 171.621 -7.769 1.119 1.00 0.00 C ATOM 537 C LEU A 630 171.591 -7.743 -0.412 1.00 0.00 C ATOM 538 O LEU A 630 170.520 -7.610 -1.006 1.00 0.00 O ATOM 539 CB LEU A 630 172.111 -6.420 1.669 1.00 0.00 C ATOM 540 CG LEU A 630 173.583 -6.369 2.070 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.116 -4.945 2.014 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.783 -6.957 3.455 1.00 0.00 C ATOM 0 H LEU A 630 173.409 -8.862 1.284 1.00 0.00 H new ATOM 0 HA LEU A 630 170.606 -7.930 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 630 171.931 -5.653 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.507 -6.161 2.538 1.00 0.00 H new ATOM 0 HG LEU A 630 174.145 -6.970 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.167 -4.938 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 630 174.017 -4.559 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.546 -4.316 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.839 -6.911 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 630 173.201 -6.387 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.453 -7.996 3.460 1.00 0.00 H new ATOM 554 N GLY A 631 172.754 -7.892 -1.058 1.00 0.00 N ATOM 555 CA GLY A 631 172.768 -7.899 -2.516 1.00 0.00 C ATOM 556 C GLY A 631 174.104 -7.544 -3.169 1.00 0.00 C ATOM 557 O GLY A 631 174.147 -7.326 -4.380 1.00 0.00 O ATOM 0 H GLY A 631 173.663 -8.005 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.469 -8.890 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.013 -7.197 -2.871 1.00 0.00 H new ATOM 561 N LEU A 632 175.195 -7.487 -2.405 1.00 0.00 N ATOM 562 CA LEU A 632 176.498 -7.161 -2.992 1.00 0.00 C ATOM 563 C LEU A 632 177.657 -7.594 -2.094 1.00 0.00 C ATOM 564 O LEU A 632 177.521 -7.684 -0.881 1.00 0.00 O ATOM 565 CB LEU A 632 176.587 -5.659 -3.323 1.00 0.00 C ATOM 566 CG LEU A 632 176.706 -4.684 -2.140 1.00 0.00 C ATOM 567 CD1 LEU A 632 175.517 -4.798 -1.200 1.00 0.00 C ATOM 568 CD2 LEU A 632 178.008 -4.894 -1.386 1.00 0.00 C ATOM 0 H LEU A 632 175.207 -7.658 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 632 176.586 -7.725 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.448 -5.507 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.701 -5.387 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 632 176.709 -3.675 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 632 175.636 -4.094 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 632 174.600 -4.569 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 632 175.461 -5.812 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 632 178.065 -4.191 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 632 178.046 -5.913 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 632 178.849 -4.729 -2.059 1.00 0.00 H new ATOM 580 N LYS A 633 178.812 -7.846 -2.698 1.00 0.00 N ATOM 581 CA LYS A 633 179.995 -8.249 -1.945 1.00 0.00 C ATOM 582 C LYS A 633 180.978 -7.092 -1.864 1.00 0.00 C ATOM 583 O LYS A 633 181.242 -6.421 -2.862 1.00 0.00 O ATOM 584 CB LYS A 633 180.657 -9.463 -2.599 1.00 0.00 C ATOM 585 CG LYS A 633 181.752 -10.090 -1.751 1.00 0.00 C ATOM 586 CD LYS A 633 182.589 -11.075 -2.556 1.00 0.00 C ATOM 587 CE LYS A 633 182.553 -12.469 -1.950 1.00 0.00 C ATOM 588 NZ LYS A 633 182.531 -13.529 -2.996 1.00 0.00 N ATOM 0 H LYS A 633 178.955 -7.779 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 633 179.691 -8.525 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 633 179.895 -10.214 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.079 -9.163 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 633 182.396 -9.307 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 633 181.305 -10.602 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 633 182.220 -11.114 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 633 183.620 -10.724 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 633 183.424 -12.609 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 633 181.672 -12.566 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 183.193 -14.288 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 181.570 -13.919 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 182.815 -13.121 -3.910 1.00 0.00 H new ATOM 602 N VAL A 634 181.510 -6.848 -0.672 1.00 0.00 N ATOM 603 CA VAL A 634 182.449 -5.754 -0.476 1.00 0.00 C ATOM 604 C VAL A 634 183.748 -6.230 0.146 1.00 0.00 C ATOM 605 O VAL A 634 183.789 -7.235 0.849 1.00 0.00 O ATOM 606 CB VAL A 634 181.851 -4.648 0.422 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.948 -3.854 1.123 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.967 -3.725 -0.396 1.00 0.00 C ATOM 0 H VAL A 634 181.308 -7.390 0.168 1.00 0.00 H new ATOM 0 HA VAL A 634 182.653 -5.349 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 634 181.243 -5.128 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.497 -3.083 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.541 -4.524 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.592 -3.386 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.553 -2.951 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.558 -3.261 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.154 -4.299 -0.841 1.00 0.00 H new ATOM 618 N VAL A 635 184.801 -5.475 -0.113 1.00 0.00 N ATOM 619 CA VAL A 635 186.109 -5.778 0.426 1.00 0.00 C ATOM 620 C VAL A 635 186.451 -4.807 1.553 1.00 0.00 C ATOM 621 O VAL A 635 185.867 -3.726 1.648 1.00 0.00 O ATOM 622 CB VAL A 635 187.175 -5.729 -0.685 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.449 -5.042 -0.221 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.461 -7.132 -1.173 1.00 0.00 C ATOM 0 H VAL A 635 184.771 -4.641 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 635 186.095 -6.788 0.835 1.00 0.00 H new ATOM 0 HB VAL A 635 186.782 -5.135 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 635 189.173 -5.030 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.222 -4.019 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.866 -5.584 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 635 188.215 -7.097 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.828 -7.738 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.546 -7.574 -1.568 1.00 0.00 H new ATOM 634 N GLY A 636 187.387 -5.195 2.409 1.00 0.00 N ATOM 635 CA GLY A 636 187.770 -4.340 3.515 1.00 0.00 C ATOM 636 C GLY A 636 189.268 -4.292 3.736 1.00 0.00 C ATOM 637 O GLY A 636 189.930 -5.327 3.799 1.00 0.00 O ATOM 0 H GLY A 636 187.886 -6.083 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.403 -3.330 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.285 -4.694 4.425 1.00 0.00 H new ATOM 641 N GLY A 637 189.799 -3.082 3.867 1.00 0.00 N ATOM 642 CA GLY A 637 191.220 -2.913 4.097 1.00 0.00 C ATOM 643 C GLY A 637 192.051 -3.056 2.840 1.00 0.00 C ATOM 644 O GLY A 637 192.908 -3.936 2.753 1.00 0.00 O ATOM 0 H GLY A 637 189.268 -2.213 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.396 -1.929 4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.552 -3.648 4.830 1.00 0.00 H new ATOM 648 N LYS A 638 191.818 -2.181 1.869 1.00 0.00 N ATOM 649 CA LYS A 638 192.574 -2.214 0.625 1.00 0.00 C ATOM 650 C LYS A 638 193.249 -0.865 0.377 1.00 0.00 C ATOM 651 O LYS A 638 192.587 0.165 0.245 1.00 0.00 O ATOM 652 CB LYS A 638 191.671 -2.625 -0.554 1.00 0.00 C ATOM 653 CG LYS A 638 190.838 -1.504 -1.160 1.00 0.00 C ATOM 654 CD LYS A 638 190.478 -1.814 -2.605 1.00 0.00 C ATOM 655 CE LYS A 638 189.446 -2.927 -2.700 1.00 0.00 C ATOM 656 NZ LYS A 638 188.974 -3.126 -4.099 1.00 0.00 N ATOM 0 H LYS A 638 191.115 -1.444 1.919 1.00 0.00 H new ATOM 0 HA LYS A 638 193.357 -2.967 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 638 192.297 -3.054 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 638 190.998 -3.413 -0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 638 189.928 -1.366 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 638 191.393 -0.567 -1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 638 190.090 -0.915 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 638 191.377 -2.103 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 638 189.878 -3.856 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 638 188.596 -2.690 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 188.200 -3.821 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 188.632 -2.221 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 189.760 -3.475 -4.684 1.00 0.00 H new ATOM 763 N LEU A 645 192.890 3.020 3.696 1.00 0.00 N ATOM 764 CA LEU A 645 192.098 1.811 3.498 1.00 0.00 C ATOM 765 C LEU A 645 190.613 2.141 3.391 1.00 0.00 C ATOM 766 O LEU A 645 190.135 3.105 3.989 1.00 0.00 O ATOM 767 CB LEU A 645 192.334 0.829 4.648 1.00 0.00 C ATOM 768 CG LEU A 645 193.746 0.240 4.725 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.800 -0.893 5.738 1.00 0.00 C ATOM 770 CD2 LEU A 645 194.197 -0.249 3.355 1.00 0.00 C ATOM 0 HA LEU A 645 192.415 1.349 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 645 192.118 1.337 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.621 0.010 4.557 1.00 0.00 H new ATOM 0 HG LEU A 645 194.427 1.026 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.811 -1.298 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.522 -0.515 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 645 193.106 -1.679 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 645 195.202 -0.664 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.512 -1.019 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 645 194.200 0.585 2.654 1.00 0.00 H new ATOM 782 N GLY A 646 189.888 1.333 2.622 1.00 0.00 N ATOM 783 CA GLY A 646 188.464 1.553 2.447 1.00 0.00 C ATOM 784 C GLY A 646 187.717 0.274 2.121 1.00 0.00 C ATOM 785 O GLY A 646 188.186 -0.822 2.427 1.00 0.00 O ATOM 0 H GLY A 646 190.262 0.530 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 646 188.052 1.989 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 646 188.307 2.276 1.647 1.00 0.00 H new ATOM 789 N ALA A 647 186.550 0.412 1.496 1.00 0.00 N ATOM 790 CA ALA A 647 185.742 -0.745 1.130 1.00 0.00 C ATOM 791 C ALA A 647 185.208 -0.624 -0.292 1.00 0.00 C ATOM 792 O ALA A 647 184.554 0.359 -0.640 1.00 0.00 O ATOM 793 CB ALA A 647 184.590 -0.920 2.109 1.00 0.00 C ATOM 0 H ALA A 647 186.145 1.311 1.234 1.00 0.00 H new ATOM 0 HA ALA A 647 186.384 -1.625 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 647 183.997 -1.788 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.986 -1.068 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.961 -0.030 2.094 1.00 0.00 H new ATOM 799 N PHE A 648 185.485 -1.637 -1.108 1.00 0.00 N ATOM 800 CA PHE A 648 185.026 -1.653 -2.491 1.00 0.00 C ATOM 801 C PHE A 648 184.138 -2.867 -2.745 1.00 0.00 C ATOM 802 O PHE A 648 184.326 -3.921 -2.138 1.00 0.00 O ATOM 803 CB PHE A 648 186.218 -1.666 -3.448 1.00 0.00 C ATOM 804 CG PHE A 648 187.000 -0.384 -3.446 1.00 0.00 C ATOM 805 CD1 PHE A 648 187.854 -0.078 -2.398 1.00 0.00 C ATOM 806 CD2 PHE A 648 186.880 0.517 -4.492 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.574 1.102 -2.395 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.596 1.699 -4.494 1.00 0.00 C ATOM 809 CZ PHE A 648 188.443 1.992 -3.444 1.00 0.00 C ATOM 0 H PHE A 648 186.026 -2.457 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 648 184.442 -0.750 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 648 186.881 -2.488 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 648 185.861 -1.863 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 648 187.958 -0.769 -1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 648 186.219 0.293 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.238 1.328 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 648 187.493 2.392 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 648 189.003 2.916 -3.442 1.00 0.00 H new ATOM 819 N ILE A 649 183.169 -2.716 -3.644 1.00 0.00 N ATOM 820 CA ILE A 649 182.259 -3.807 -3.967 1.00 0.00 C ATOM 821 C ILE A 649 182.877 -4.749 -4.996 1.00 0.00 C ATOM 822 O ILE A 649 183.154 -4.354 -6.129 1.00 0.00 O ATOM 823 CB ILE A 649 180.909 -3.279 -4.501 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.201 -2.444 -3.433 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.019 -4.431 -4.950 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.374 -1.312 -4.004 1.00 0.00 C ATOM 0 H ILE A 649 182.995 -1.853 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 649 182.079 -4.355 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 649 181.108 -2.643 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.555 -3.094 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 649 180.946 -2.032 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.074 -4.037 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.517 -4.988 -5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.828 -5.094 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.900 -0.762 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 649 180.019 -0.640 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.607 -1.718 -4.663 1.00 0.00 H new ATOM 838 N THR A 650 183.098 -5.993 -4.587 1.00 0.00 N ATOM 839 CA THR A 650 183.693 -6.996 -5.463 1.00 0.00 C ATOM 840 C THR A 650 182.691 -7.507 -6.496 1.00 0.00 C ATOM 841 O THR A 650 183.077 -7.899 -7.597 1.00 0.00 O ATOM 842 CB THR A 650 184.235 -8.165 -4.638 1.00 0.00 C ATOM 843 OG1 THR A 650 183.184 -9.029 -4.248 1.00 0.00 O ATOM 844 CG2 THR A 650 184.963 -7.729 -3.384 1.00 0.00 C ATOM 0 H THR A 650 182.873 -6.332 -3.652 1.00 0.00 H new ATOM 0 HA THR A 650 184.514 -6.520 -5.999 1.00 0.00 H new ATOM 0 HB THR A 650 184.945 -8.674 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.036 -9.700 -4.947 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.321 -8.607 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 650 185.810 -7.099 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 650 184.282 -7.166 -2.745 1.00 0.00 H new ATOM 852 N LYS A 651 181.406 -7.503 -6.144 1.00 0.00 N ATOM 853 CA LYS A 651 180.375 -7.975 -7.065 1.00 0.00 C ATOM 854 C LYS A 651 178.970 -7.749 -6.508 1.00 0.00 C ATOM 855 O LYS A 651 178.768 -7.694 -5.296 1.00 0.00 O ATOM 856 CB LYS A 651 180.582 -9.461 -7.376 1.00 0.00 C ATOM 857 CG LYS A 651 180.256 -10.387 -6.213 1.00 0.00 C ATOM 858 CD LYS A 651 180.204 -11.840 -6.658 1.00 0.00 C ATOM 859 CE LYS A 651 178.800 -12.248 -7.072 1.00 0.00 C ATOM 860 NZ LYS A 651 178.623 -12.210 -8.550 1.00 0.00 N ATOM 0 H LYS A 651 181.058 -7.183 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 651 180.466 -7.396 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.961 -9.733 -8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.619 -9.619 -7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 651 181.007 -10.271 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.298 -10.104 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 651 180.888 -11.990 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 651 180.546 -12.482 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 651 178.592 -13.254 -6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 651 178.075 -11.583 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 177.737 -11.718 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 179.422 -11.705 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 178.586 -13.181 -8.920 1.00 0.00 H new ATOM 874 N VAL A 652 178.004 -7.627 -7.416 1.00 0.00 N ATOM 875 CA VAL A 652 176.607 -7.415 -7.038 1.00 0.00 C ATOM 876 C VAL A 652 175.716 -8.511 -7.614 1.00 0.00 C ATOM 877 O VAL A 652 175.860 -8.893 -8.776 1.00 0.00 O ATOM 878 CB VAL A 652 176.070 -6.044 -7.520 1.00 0.00 C ATOM 879 CG1 VAL A 652 175.916 -5.081 -6.356 1.00 0.00 C ATOM 880 CG2 VAL A 652 176.969 -5.448 -8.593 1.00 0.00 C ATOM 0 H VAL A 652 178.163 -7.671 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 652 176.579 -7.440 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 652 175.086 -6.210 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.538 -4.126 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.215 -5.496 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 652 176.884 -4.929 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.567 -4.486 -8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 652 177.972 -5.306 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.013 -6.124 -9.447 1.00 0.00 H new ATOM 890 N LYS A 653 174.788 -9.006 -6.801 1.00 0.00 N ATOM 891 CA LYS A 653 173.869 -10.050 -7.240 1.00 0.00 C ATOM 892 C LYS A 653 172.647 -9.436 -7.919 1.00 0.00 C ATOM 893 O LYS A 653 171.780 -8.864 -7.260 1.00 0.00 O ATOM 894 CB LYS A 653 173.435 -10.911 -6.051 1.00 0.00 C ATOM 895 CG LYS A 653 173.874 -12.362 -6.158 1.00 0.00 C ATOM 896 CD LYS A 653 172.965 -13.153 -7.085 1.00 0.00 C ATOM 897 CE LYS A 653 173.300 -12.900 -8.546 1.00 0.00 C ATOM 898 NZ LYS A 653 172.562 -13.822 -9.453 1.00 0.00 N ATOM 0 H LYS A 653 174.653 -8.702 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 653 174.386 -10.683 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 653 173.843 -10.483 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.349 -10.874 -5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 653 174.899 -12.407 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 653 173.871 -12.818 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 653 173.060 -14.217 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 653 171.926 -12.881 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 653 173.057 -11.868 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 653 174.372 -13.022 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 172.973 -13.773 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 172.636 -14.795 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 171.561 -13.543 -9.492 1.00 0.00 H new ATOM 912 N LYS A 654 172.587 -9.557 -9.242 1.00 0.00 N ATOM 913 CA LYS A 654 171.475 -9.009 -10.012 1.00 0.00 C ATOM 914 C LYS A 654 170.145 -9.597 -9.550 1.00 0.00 C ATOM 915 O LYS A 654 169.835 -10.755 -9.830 1.00 0.00 O ATOM 916 CB LYS A 654 171.675 -9.287 -11.503 1.00 0.00 C ATOM 917 CG LYS A 654 171.800 -10.766 -11.836 1.00 0.00 C ATOM 918 CD LYS A 654 173.018 -11.044 -12.702 1.00 0.00 C ATOM 919 CE LYS A 654 174.202 -11.507 -11.868 1.00 0.00 C ATOM 920 NZ LYS A 654 174.959 -12.602 -12.537 1.00 0.00 N ATOM 0 H LYS A 654 173.295 -10.030 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 654 171.451 -7.932 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 654 170.835 -8.868 -12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 654 172.572 -8.770 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 654 171.870 -11.343 -10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 654 170.901 -11.100 -12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 654 172.773 -11.806 -13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 654 173.289 -10.142 -13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 654 174.869 -10.664 -11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 654 173.849 -11.851 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 175.758 -12.889 -11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 174.330 -13.416 -12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 175.318 -12.266 -13.453 1.00 0.00 H new ATOM 934 N GLY A 655 169.361 -8.791 -8.839 1.00 0.00 N ATOM 935 CA GLY A 655 168.075 -9.249 -8.349 1.00 0.00 C ATOM 936 C GLY A 655 167.920 -9.049 -6.854 1.00 0.00 C ATOM 937 O GLY A 655 166.801 -8.983 -6.343 1.00 0.00 O ATOM 0 H GLY A 655 169.595 -7.829 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.280 -8.714 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 655 167.955 -10.306 -8.586 1.00 0.00 H new ATOM 941 N SER A 656 169.044 -8.952 -6.151 1.00 0.00 N ATOM 942 CA SER A 656 169.026 -8.759 -4.706 1.00 0.00 C ATOM 943 C SER A 656 168.637 -7.326 -4.354 1.00 0.00 C ATOM 944 O SER A 656 168.413 -6.498 -5.236 1.00 0.00 O ATOM 945 CB SER A 656 170.394 -9.090 -4.110 1.00 0.00 C ATOM 946 OG SER A 656 170.794 -10.406 -4.450 1.00 0.00 O ATOM 0 H SER A 656 169.978 -9.004 -6.558 1.00 0.00 H new ATOM 0 HA SER A 656 168.281 -9.433 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 656 171.134 -8.377 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.356 -8.987 -3.026 1.00 0.00 H new ATOM 0 HG SER A 656 171.626 -10.627 -3.981 1.00 0.00 H new ATOM 952 N LEU A 657 168.557 -7.043 -3.058 1.00 0.00 N ATOM 953 CA LEU A 657 168.193 -5.712 -2.587 1.00 0.00 C ATOM 954 C LEU A 657 169.212 -4.674 -3.036 1.00 0.00 C ATOM 955 O LEU A 657 168.861 -3.661 -3.637 1.00 0.00 O ATOM 956 CB LEU A 657 168.078 -5.702 -1.061 1.00 0.00 C ATOM 957 CG LEU A 657 166.984 -6.608 -0.489 1.00 0.00 C ATOM 958 CD1 LEU A 657 167.544 -7.496 0.614 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.821 -5.776 0.032 1.00 0.00 C ATOM 0 H LEU A 657 168.739 -7.718 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 657 167.227 -5.455 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 657 169.036 -6.003 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.891 -4.680 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 657 166.617 -7.250 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 657 166.751 -8.132 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 657 168.342 -8.119 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 657 167.941 -6.874 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.053 -6.436 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.174 -5.109 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.402 -5.186 -0.783 1.00 0.00 H new ATOM 971 N ALA A 658 170.477 -4.934 -2.737 1.00 0.00 N ATOM 972 CA ALA A 658 171.558 -4.024 -3.103 1.00 0.00 C ATOM 973 C ALA A 658 171.459 -3.590 -4.563 1.00 0.00 C ATOM 974 O ALA A 658 171.919 -2.512 -4.933 1.00 0.00 O ATOM 975 CB ALA A 658 172.905 -4.676 -2.838 1.00 0.00 C ATOM 0 H ALA A 658 170.783 -5.771 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 658 171.464 -3.131 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.703 -3.987 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 658 172.988 -4.921 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 658 172.991 -5.588 -3.429 1.00 0.00 H new ATOM 981 N ASP A 659 170.865 -4.440 -5.391 1.00 0.00 N ATOM 982 CA ASP A 659 170.719 -4.142 -6.812 1.00 0.00 C ATOM 983 C ASP A 659 169.465 -3.316 -7.087 1.00 0.00 C ATOM 984 O ASP A 659 169.516 -2.308 -7.792 1.00 0.00 O ATOM 985 CB ASP A 659 170.678 -5.440 -7.621 1.00 0.00 C ATOM 986 CG ASP A 659 171.694 -5.454 -8.746 1.00 0.00 C ATOM 987 OD1 ASP A 659 172.890 -5.225 -8.468 1.00 0.00 O ATOM 988 OD2 ASP A 659 171.294 -5.693 -9.905 1.00 0.00 O ATOM 0 H ASP A 659 170.477 -5.339 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 659 171.583 -3.552 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 659 170.864 -6.284 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.679 -5.575 -8.036 1.00 0.00 H new ATOM 993 N VAL A 660 168.342 -3.760 -6.540 1.00 0.00 N ATOM 994 CA VAL A 660 167.068 -3.070 -6.744 1.00 0.00 C ATOM 995 C VAL A 660 166.943 -1.817 -5.877 1.00 0.00 C ATOM 996 O VAL A 660 166.550 -0.757 -6.365 1.00 0.00 O ATOM 997 CB VAL A 660 165.859 -3.994 -6.475 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.541 -4.824 -7.709 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.106 -4.894 -5.272 1.00 0.00 C ATOM 0 H VAL A 660 168.283 -4.592 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 660 167.060 -2.772 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 660 164.999 -3.364 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.687 -5.469 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.303 -4.162 -8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.405 -5.436 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.237 -5.531 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 660 166.982 -5.515 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.276 -4.280 -4.387 1.00 0.00 H new ATOM 1009 N VAL A 661 167.270 -1.934 -4.592 1.00 0.00 N ATOM 1010 CA VAL A 661 167.178 -0.798 -3.681 1.00 0.00 C ATOM 1011 C VAL A 661 168.512 -0.063 -3.567 1.00 0.00 C ATOM 1012 O VAL A 661 168.544 1.153 -3.375 1.00 0.00 O ATOM 1013 CB VAL A 661 166.709 -1.231 -2.275 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.696 -2.198 -1.644 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.500 -0.015 -1.383 1.00 0.00 C ATOM 0 H VAL A 661 167.599 -2.798 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 661 166.436 -0.121 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 661 165.755 -1.748 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.341 -2.486 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 661 167.787 -3.086 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.670 -1.717 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.170 -0.340 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.438 0.533 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.743 0.634 -1.824 1.00 0.00 H new ATOM 1025 N GLY A 662 169.610 -0.802 -3.692 1.00 0.00 N ATOM 1026 CA GLY A 662 170.923 -0.191 -3.605 1.00 0.00 C ATOM 1027 C GLY A 662 171.307 0.515 -4.889 1.00 0.00 C ATOM 1028 O GLY A 662 171.585 1.714 -4.891 1.00 0.00 O ATOM 0 H GLY A 662 169.614 -1.809 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.937 0.522 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.665 -0.956 -3.376 1.00 0.00 H new ATOM 1032 N HIS A 663 171.306 -0.232 -5.988 1.00 0.00 N ATOM 1033 CA HIS A 663 171.637 0.318 -7.298 1.00 0.00 C ATOM 1034 C HIS A 663 173.124 0.662 -7.419 1.00 0.00 C ATOM 1035 O HIS A 663 173.482 1.792 -7.752 1.00 0.00 O ATOM 1036 CB HIS A 663 170.779 1.557 -7.585 1.00 0.00 C ATOM 1037 CG HIS A 663 169.885 1.401 -8.776 1.00 0.00 C ATOM 1038 ND1 HIS A 663 170.220 1.857 -10.033 1.00 0.00 N ATOM 1039 CD2 HIS A 663 168.662 0.834 -8.897 1.00 0.00 C ATOM 1040 CE1 HIS A 663 169.240 1.578 -10.875 1.00 0.00 C ATOM 1041 NE2 HIS A 663 168.283 0.957 -10.211 1.00 0.00 N ATOM 0 H HIS A 663 171.078 -1.226 -5.997 1.00 0.00 H new ATOM 0 HA HIS A 663 171.420 -0.451 -8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 663 170.169 1.778 -6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.434 2.414 -7.742 1.00 0.00 H new ATOM 0 HD2 HIS A 663 168.090 0.371 -8.107 1.00 0.00 H new ATOM 0 HE1 HIS A 663 169.225 1.818 -11.928 1.00 0.00 H new ATOM 0 HE2 HIS A 663 167.405 0.623 -10.609 1.00 0.00 H new ATOM 1050 N LEU A 664 173.987 -0.322 -7.178 1.00 0.00 N ATOM 1051 CA LEU A 664 175.424 -0.110 -7.300 1.00 0.00 C ATOM 1052 C LEU A 664 176.055 -1.268 -8.059 1.00 0.00 C ATOM 1053 O LEU A 664 175.392 -2.261 -8.357 1.00 0.00 O ATOM 1054 CB LEU A 664 176.096 0.069 -5.931 1.00 0.00 C ATOM 1055 CG LEU A 664 175.504 -0.744 -4.780 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.137 -0.207 -4.388 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.427 -2.214 -5.152 1.00 0.00 C ATOM 0 H LEU A 664 173.718 -1.266 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 664 175.580 0.814 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.150 -0.192 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.053 1.125 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 664 176.161 -0.647 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.735 -0.801 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.231 0.832 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.464 -0.267 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 664 175.003 -2.778 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.795 -2.334 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.428 -2.587 -5.371 1.00 0.00 H new ATOM 1069 N ARG A 665 177.331 -1.134 -8.385 1.00 0.00 N ATOM 1070 CA ARG A 665 178.034 -2.169 -9.127 1.00 0.00 C ATOM 1071 C ARG A 665 179.435 -2.393 -8.579 1.00 0.00 C ATOM 1072 O ARG A 665 180.004 -1.524 -7.917 1.00 0.00 O ATOM 1073 CB ARG A 665 178.108 -1.795 -10.606 1.00 0.00 C ATOM 1074 CG ARG A 665 176.754 -1.794 -11.298 1.00 0.00 C ATOM 1075 CD ARG A 665 176.688 -2.848 -12.390 1.00 0.00 C ATOM 1076 NE ARG A 665 176.062 -4.083 -11.924 1.00 0.00 N ATOM 1077 CZ ARG A 665 174.745 -4.257 -11.822 1.00 0.00 C ATOM 1078 NH1 ARG A 665 173.913 -3.278 -12.153 1.00 0.00 N ATOM 1079 NH2 ARG A 665 174.261 -5.412 -11.391 1.00 0.00 N ATOM 0 H ARG A 665 177.900 -0.321 -8.148 1.00 0.00 H new ATOM 0 HA ARG A 665 177.475 -3.098 -9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.557 -0.806 -10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 665 178.768 -2.495 -11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 665 175.969 -1.978 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.564 -0.810 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 665 176.128 -2.456 -13.239 1.00 0.00 H new ATOM 0 HD3 ARG A 665 177.695 -3.064 -12.746 1.00 0.00 H new ATOM 0 HE ARG A 665 176.670 -4.859 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 665 174.281 -2.387 -12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 665 172.906 -3.416 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 665 174.897 -6.168 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 665 173.253 -5.545 -11.313 1.00 0.00 H new ATOM 1093 N ALA A 666 179.989 -3.566 -8.866 1.00 0.00 N ATOM 1094 CA ALA A 666 181.328 -3.914 -8.412 1.00 0.00 C ATOM 1095 C ALA A 666 182.335 -2.848 -8.824 1.00 0.00 C ATOM 1096 O ALA A 666 182.469 -2.528 -10.005 1.00 0.00 O ATOM 1097 CB ALA A 666 181.732 -5.271 -8.965 1.00 0.00 C ATOM 0 H ALA A 666 179.528 -4.293 -9.413 1.00 0.00 H new ATOM 0 HA ALA A 666 181.320 -3.967 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 666 182.735 -5.521 -8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.029 -6.029 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 666 181.722 -5.238 -10.054 1.00 0.00 H new ATOM 1103 N GLY A 667 183.033 -2.293 -7.841 1.00 0.00 N ATOM 1104 CA GLY A 667 184.010 -1.259 -8.119 1.00 0.00 C ATOM 1105 C GLY A 667 183.752 -0.007 -7.303 1.00 0.00 C ATOM 1106 O GLY A 667 184.658 0.795 -7.079 1.00 0.00 O ATOM 0 H GLY A 667 182.940 -2.541 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.010 -1.635 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 667 183.986 -1.012 -9.180 1.00 0.00 H new ATOM 1110 N ASP A 668 182.510 0.156 -6.856 1.00 0.00 N ATOM 1111 CA ASP A 668 182.132 1.313 -6.054 1.00 0.00 C ATOM 1112 C ASP A 668 182.857 1.295 -4.713 1.00 0.00 C ATOM 1113 O ASP A 668 183.119 0.231 -4.154 1.00 0.00 O ATOM 1114 CB ASP A 668 180.619 1.333 -5.830 1.00 0.00 C ATOM 1115 CG ASP A 668 179.890 2.154 -6.876 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.348 3.277 -7.174 1.00 0.00 O ATOM 1117 OD2 ASP A 668 178.862 1.673 -7.397 1.00 0.00 O ATOM 0 H ASP A 668 181.749 -0.499 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 668 182.421 2.214 -6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.239 0.312 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.406 1.738 -4.841 1.00 0.00 H new ATOM 1122 N GLU A 669 183.184 2.478 -4.205 1.00 0.00 N ATOM 1123 CA GLU A 669 183.885 2.590 -2.932 1.00 0.00 C ATOM 1124 C GLU A 669 182.952 3.085 -1.831 1.00 0.00 C ATOM 1125 O GLU A 669 182.577 4.257 -1.802 1.00 0.00 O ATOM 1126 CB GLU A 669 185.078 3.538 -3.068 1.00 0.00 C ATOM 1127 CG GLU A 669 185.966 3.579 -1.835 1.00 0.00 C ATOM 1128 CD GLU A 669 186.777 4.858 -1.745 1.00 0.00 C ATOM 1129 OE1 GLU A 669 186.911 5.551 -2.775 1.00 0.00 O ATOM 1130 OE2 GLU A 669 187.282 5.164 -0.645 1.00 0.00 O ATOM 0 H GLU A 669 182.976 3.370 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 669 184.243 1.598 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.677 3.234 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.711 4.543 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.348 3.481 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.642 2.724 -1.850 1.00 0.00 H new ATOM 1137 N VAL A 670 182.588 2.185 -0.921 1.00 0.00 N ATOM 1138 CA VAL A 670 181.709 2.536 0.188 1.00 0.00 C ATOM 1139 C VAL A 670 182.518 3.089 1.358 1.00 0.00 C ATOM 1140 O VAL A 670 183.202 2.343 2.057 1.00 0.00 O ATOM 1141 CB VAL A 670 180.881 1.321 0.665 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.169 1.622 1.979 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.878 0.908 -0.402 1.00 0.00 C ATOM 0 H VAL A 670 182.888 1.210 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 670 181.022 3.301 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 670 181.568 0.493 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.595 0.749 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.906 1.863 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.497 2.469 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.304 0.051 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.202 1.738 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.409 0.638 -1.315 1.00 0.00 H new ATOM 1153 N LEU A 671 182.433 4.398 1.562 1.00 0.00 N ATOM 1154 CA LEU A 671 183.158 5.048 2.646 1.00 0.00 C ATOM 1155 C LEU A 671 182.375 4.975 3.956 1.00 0.00 C ATOM 1156 O LEU A 671 182.819 5.493 4.980 1.00 0.00 O ATOM 1157 CB LEU A 671 183.438 6.509 2.291 1.00 0.00 C ATOM 1158 CG LEU A 671 183.607 6.793 0.798 1.00 0.00 C ATOM 1159 CD1 LEU A 671 183.488 8.279 0.521 1.00 0.00 C ATOM 1160 CD2 LEU A 671 184.939 6.254 0.306 1.00 0.00 C ATOM 0 H LEU A 671 181.870 5.029 0.992 1.00 0.00 H new ATOM 0 HA LEU A 671 184.102 4.521 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.621 7.122 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.343 6.826 2.810 1.00 0.00 H new ATOM 0 HG LEU A 671 182.811 6.284 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 671 183.611 8.461 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 671 182.506 8.631 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.261 8.815 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 671 185.045 6.463 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 671 185.750 6.734 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 671 184.979 5.177 0.470 1.00 0.00 H new ATOM 1172 N GLU A 672 181.208 4.337 3.916 1.00 0.00 N ATOM 1173 CA GLU A 672 180.371 4.212 5.104 1.00 0.00 C ATOM 1174 C GLU A 672 179.592 2.901 5.109 1.00 0.00 C ATOM 1175 O GLU A 672 178.892 2.579 4.151 1.00 0.00 O ATOM 1176 CB GLU A 672 179.392 5.383 5.175 1.00 0.00 C ATOM 1177 CG GLU A 672 180.045 6.699 5.564 1.00 0.00 C ATOM 1178 CD GLU A 672 179.296 7.418 6.670 1.00 0.00 C ATOM 1179 OE1 GLU A 672 178.881 6.748 7.638 1.00 0.00 O ATOM 1180 OE2 GLU A 672 179.127 8.651 6.566 1.00 0.00 O ATOM 0 H GLU A 672 180.823 3.901 3.078 1.00 0.00 H new ATOM 0 HA GLU A 672 181.028 4.221 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.907 5.500 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.609 5.148 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 672 181.069 6.511 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 672 180.101 7.346 4.688 1.00 0.00 H new ATOM 1187 N TRP A 673 179.705 2.158 6.205 1.00 0.00 N ATOM 1188 CA TRP A 673 178.999 0.891 6.350 1.00 0.00 C ATOM 1189 C TRP A 673 178.274 0.843 7.689 1.00 0.00 C ATOM 1190 O TRP A 673 178.904 0.859 8.747 1.00 0.00 O ATOM 1191 CB TRP A 673 179.973 -0.280 6.244 1.00 0.00 C ATOM 1192 CG TRP A 673 179.291 -1.583 5.967 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.625 -2.368 6.861 1.00 0.00 C ATOM 1194 CD2 TRP A 673 179.207 -2.250 4.704 1.00 0.00 C ATOM 1195 NE1 TRP A 673 178.131 -3.486 6.231 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.478 -3.437 4.906 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.680 -1.959 3.424 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 178.211 -4.329 3.872 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.414 -2.845 2.400 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.685 -4.019 2.629 1.00 0.00 C ATOM 0 H TRP A 673 180.281 2.413 7.008 1.00 0.00 H new ATOM 0 HA TRP A 673 178.267 0.811 5.546 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.692 -0.077 5.451 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.537 -0.362 7.173 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.503 -2.144 7.911 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.594 -4.230 6.677 1.00 0.00 H new ATOM 0 HE3 TRP A 673 180.244 -1.057 3.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.649 -5.235 4.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.774 -2.630 1.405 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.494 -4.692 1.807 1.00 0.00 H new ATOM 1211 N ASN A 674 176.948 0.790 7.641 1.00 0.00 N ATOM 1212 CA ASN A 674 176.143 0.747 8.858 1.00 0.00 C ATOM 1213 C ASN A 674 176.282 2.047 9.642 1.00 0.00 C ATOM 1214 O ASN A 674 176.302 2.046 10.874 1.00 0.00 O ATOM 1215 CB ASN A 674 176.552 -0.440 9.733 1.00 0.00 C ATOM 1216 CG ASN A 674 175.476 -0.822 10.729 1.00 0.00 C ATOM 1217 OD1 ASN A 674 175.603 -0.566 11.927 1.00 0.00 O ATOM 1218 ND2 ASN A 674 174.408 -1.439 10.239 1.00 0.00 N ATOM 0 H ASN A 674 176.408 0.776 6.776 1.00 0.00 H new ATOM 0 HA ASN A 674 175.099 0.625 8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.775 -1.297 9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.469 -0.194 10.269 1.00 0.00 H new ATOM 0 HD21 ASN A 674 173.651 -1.721 10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 674 174.344 -1.631 9.239 1.00 0.00 H new ATOM 1225 N GLY A 675 176.370 3.155 8.916 1.00 0.00 N ATOM 1226 CA GLY A 675 176.497 4.457 9.549 1.00 0.00 C ATOM 1227 C GLY A 675 177.849 4.676 10.208 1.00 0.00 C ATOM 1228 O GLY A 675 178.018 5.624 10.975 1.00 0.00 O ATOM 0 H GLY A 675 176.356 3.176 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 675 176.335 5.234 8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.713 4.567 10.298 1.00 0.00 H new ATOM 1232 N LYS A 676 178.814 3.807 9.915 1.00 0.00 N ATOM 1233 CA LYS A 676 180.147 3.930 10.496 1.00 0.00 C ATOM 1234 C LYS A 676 181.165 4.325 9.438 1.00 0.00 C ATOM 1235 O LYS A 676 181.040 3.943 8.276 1.00 0.00 O ATOM 1236 CB LYS A 676 180.566 2.604 11.157 1.00 0.00 C ATOM 1237 CG LYS A 676 181.845 1.969 10.593 1.00 0.00 C ATOM 1238 CD LYS A 676 182.944 1.901 11.642 1.00 0.00 C ATOM 1239 CE LYS A 676 182.493 1.134 12.876 1.00 0.00 C ATOM 1240 NZ LYS A 676 183.647 0.635 13.673 1.00 0.00 N ATOM 0 H LYS A 676 178.698 3.015 9.283 1.00 0.00 H new ATOM 0 HA LYS A 676 180.115 4.712 11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.705 2.776 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.749 1.890 11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.624 0.965 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 676 182.193 2.548 9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.825 1.421 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 676 183.238 2.911 11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.874 1.780 13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 676 181.870 0.292 12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 183.550 -0.390 13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 184.532 0.830 13.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 183.666 1.116 14.595 1.00 0.00 H new ATOM 1254 N PRO A 677 182.211 5.069 9.830 1.00 0.00 N ATOM 1255 CA PRO A 677 183.253 5.463 8.903 1.00 0.00 C ATOM 1256 C PRO A 677 184.290 4.356 8.744 1.00 0.00 C ATOM 1257 O PRO A 677 184.945 3.955 9.707 1.00 0.00 O ATOM 1258 CB PRO A 677 183.863 6.682 9.587 1.00 0.00 C ATOM 1259 CG PRO A 677 183.705 6.413 11.047 1.00 0.00 C ATOM 1260 CD PRO A 677 182.470 5.555 11.199 1.00 0.00 C ATOM 0 HA PRO A 677 182.884 5.666 7.898 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.912 6.804 9.318 1.00 0.00 H new ATOM 0 HB3 PRO A 677 183.350 7.598 9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 677 184.582 5.902 11.444 1.00 0.00 H new ATOM 0 HG3 PRO A 677 183.600 7.345 11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.638 4.730 11.892 1.00 0.00 H new ATOM 0 HD3 PRO A 677 181.628 6.130 11.586 1.00 0.00 H new ATOM 1268 N LEU A 678 184.426 3.868 7.522 1.00 0.00 N ATOM 1269 CA LEU A 678 185.371 2.802 7.211 1.00 0.00 C ATOM 1270 C LEU A 678 186.758 3.341 6.844 1.00 0.00 C ATOM 1271 O LEU A 678 187.767 2.729 7.192 1.00 0.00 O ATOM 1272 CB LEU A 678 184.830 1.938 6.071 1.00 0.00 C ATOM 1273 CG LEU A 678 183.377 1.490 6.235 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.775 1.116 4.888 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.283 0.323 7.211 1.00 0.00 C ATOM 0 H LEU A 678 183.889 4.196 6.720 1.00 0.00 H new ATOM 0 HA LEU A 678 185.484 2.198 8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.920 2.495 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.459 1.053 5.976 1.00 0.00 H new ATOM 0 HG LEU A 678 182.805 2.323 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.741 0.800 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.805 1.980 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.348 0.300 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.242 0.018 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 678 183.870 -0.514 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.670 0.629 8.183 1.00 0.00 H new ATOM 1287 N PRO A 679 186.844 4.487 6.133 1.00 0.00 N ATOM 1288 CA PRO A 679 188.132 5.068 5.736 1.00 0.00 C ATOM 1289 C PRO A 679 189.174 5.007 6.850 1.00 0.00 C ATOM 1290 O PRO A 679 189.030 5.652 7.889 1.00 0.00 O ATOM 1291 CB PRO A 679 187.765 6.513 5.411 1.00 0.00 C ATOM 1292 CG PRO A 679 186.373 6.425 4.890 1.00 0.00 C ATOM 1293 CD PRO A 679 185.710 5.307 5.654 1.00 0.00 C ATOM 0 HA PRO A 679 188.591 4.530 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.820 7.147 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.442 6.939 4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.842 7.366 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.370 6.221 3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 679 185.113 5.688 6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 679 185.040 4.730 5.017 1.00 0.00 H new ATOM 1301 N GLY A 680 190.219 4.218 6.623 1.00 0.00 N ATOM 1302 CA GLY A 680 191.272 4.071 7.611 1.00 0.00 C ATOM 1303 C GLY A 680 191.254 2.711 8.286 1.00 0.00 C ATOM 1304 O GLY A 680 192.208 2.339 8.968 1.00 0.00 O ATOM 0 H GLY A 680 190.356 3.676 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 680 192.239 4.221 7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 680 191.167 4.849 8.367 1.00 0.00 H new ATOM 1308 N ALA A 681 190.166 1.967 8.097 1.00 0.00 N ATOM 1309 CA ALA A 681 190.031 0.643 8.693 1.00 0.00 C ATOM 1310 C ALA A 681 190.461 -0.446 7.716 1.00 0.00 C ATOM 1311 O ALA A 681 190.165 -0.378 6.522 1.00 0.00 O ATOM 1312 CB ALA A 681 188.595 0.418 9.146 1.00 0.00 C ATOM 0 H ALA A 681 189.366 2.260 7.536 1.00 0.00 H new ATOM 0 HA ALA A 681 190.688 0.590 9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.505 -0.574 9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 681 188.324 1.172 9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.927 0.494 8.288 1.00 0.00 H new ATOM 1318 N THR A 682 191.163 -1.450 8.230 1.00 0.00 N ATOM 1319 CA THR A 682 191.635 -2.555 7.404 1.00 0.00 C ATOM 1320 C THR A 682 190.592 -3.669 7.340 1.00 0.00 C ATOM 1321 O THR A 682 189.477 -3.518 7.839 1.00 0.00 O ATOM 1322 CB THR A 682 192.964 -3.093 7.947 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.304 -4.325 7.336 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.958 -3.307 9.443 1.00 0.00 C ATOM 0 H THR A 682 191.418 -1.521 9.215 1.00 0.00 H new ATOM 0 HA THR A 682 191.796 -2.184 6.392 1.00 0.00 H new ATOM 0 HB THR A 682 193.699 -2.324 7.709 1.00 0.00 H new ATOM 0 HG1 THR A 682 194.156 -4.646 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.929 -3.688 9.760 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.759 -2.360 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 682 192.182 -4.027 9.704 1.00 0.00 H new ATOM 1332 N ASN A 683 190.957 -4.784 6.714 1.00 0.00 N ATOM 1333 CA ASN A 683 190.053 -5.921 6.572 1.00 0.00 C ATOM 1334 C ASN A 683 189.441 -6.316 7.912 1.00 0.00 C ATOM 1335 O ASN A 683 188.226 -6.469 8.027 1.00 0.00 O ATOM 1336 CB ASN A 683 190.792 -7.115 5.966 1.00 0.00 C ATOM 1337 CG ASN A 683 192.073 -7.444 6.710 1.00 0.00 C ATOM 1338 OD1 ASN A 683 192.073 -8.247 7.642 1.00 0.00 O ATOM 1339 ND2 ASN A 683 193.172 -6.822 6.300 1.00 0.00 N ATOM 0 H ASN A 683 191.876 -4.925 6.295 1.00 0.00 H new ATOM 0 HA ASN A 683 189.245 -5.621 5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 683 190.137 -7.986 5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 683 191.026 -6.902 4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 683 194.063 -7.003 6.763 1.00 0.00 H new ATOM 0 HD22 ASN A 683 193.125 -6.164 5.522 1.00 0.00 H new ATOM 1346 N GLU A 684 190.285 -6.484 8.923 1.00 0.00 N ATOM 1347 CA GLU A 684 189.814 -6.867 10.247 1.00 0.00 C ATOM 1348 C GLU A 684 188.834 -5.841 10.800 1.00 0.00 C ATOM 1349 O GLU A 684 187.851 -6.199 11.448 1.00 0.00 O ATOM 1350 CB GLU A 684 190.994 -7.046 11.205 1.00 0.00 C ATOM 1351 CG GLU A 684 191.128 -8.460 11.747 1.00 0.00 C ATOM 1352 CD GLU A 684 190.900 -8.535 13.245 1.00 0.00 C ATOM 1353 OE1 GLU A 684 191.799 -8.117 14.004 1.00 0.00 O ATOM 1354 OE2 GLU A 684 189.822 -9.013 13.658 1.00 0.00 O ATOM 0 H GLU A 684 191.295 -6.361 8.851 1.00 0.00 H new ATOM 0 HA GLU A 684 189.291 -7.819 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 684 191.915 -6.775 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 684 190.881 -6.355 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 684 190.412 -9.108 11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 684 192.122 -8.841 11.515 1.00 0.00 H new ATOM 1361 N GLU A 685 189.093 -4.568 10.529 1.00 0.00 N ATOM 1362 CA GLU A 685 188.210 -3.511 10.993 1.00 0.00 C ATOM 1363 C GLU A 685 186.849 -3.658 10.330 1.00 0.00 C ATOM 1364 O GLU A 685 185.840 -3.886 10.997 1.00 0.00 O ATOM 1365 CB GLU A 685 188.805 -2.139 10.680 1.00 0.00 C ATOM 1366 CG GLU A 685 190.134 -1.879 11.372 1.00 0.00 C ATOM 1367 CD GLU A 685 190.051 -2.043 12.877 1.00 0.00 C ATOM 1368 OE1 GLU A 685 189.910 -3.194 13.342 1.00 0.00 O ATOM 1369 OE2 GLU A 685 190.125 -1.021 13.590 1.00 0.00 O ATOM 0 H GLU A 685 189.900 -4.246 9.995 1.00 0.00 H new ATOM 0 HA GLU A 685 188.095 -3.594 12.074 1.00 0.00 H new ATOM 0 HB2 GLU A 685 188.942 -2.049 9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 685 188.094 -1.368 10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 685 190.885 -2.563 10.977 1.00 0.00 H new ATOM 0 HG3 GLU A 685 190.469 -0.868 11.139 1.00 0.00 H new ATOM 1376 N VAL A 686 186.835 -3.554 9.005 1.00 0.00 N ATOM 1377 CA VAL A 686 185.608 -3.699 8.237 1.00 0.00 C ATOM 1378 C VAL A 686 184.936 -5.033 8.547 1.00 0.00 C ATOM 1379 O VAL A 686 183.715 -5.109 8.681 1.00 0.00 O ATOM 1380 CB VAL A 686 185.887 -3.604 6.722 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.634 -3.920 5.918 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.425 -2.228 6.364 1.00 0.00 C ATOM 0 H VAL A 686 187.664 -3.369 8.441 1.00 0.00 H new ATOM 0 HA VAL A 686 184.942 -2.885 8.523 1.00 0.00 H new ATOM 0 HB VAL A 686 186.645 -4.345 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.857 -3.846 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 686 184.299 -4.931 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.848 -3.209 6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.616 -2.180 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.692 -1.469 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.353 -2.048 6.906 1.00 0.00 H new ATOM 1392 N TYR A 687 185.745 -6.082 8.664 1.00 0.00 N ATOM 1393 CA TYR A 687 185.234 -7.416 8.964 1.00 0.00 C ATOM 1394 C TYR A 687 184.292 -7.375 10.160 1.00 0.00 C ATOM 1395 O TYR A 687 183.194 -7.922 10.116 1.00 0.00 O ATOM 1396 CB TYR A 687 186.391 -8.379 9.247 1.00 0.00 C ATOM 1397 CG TYR A 687 186.936 -9.076 8.017 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.893 -8.465 6.772 1.00 0.00 C ATOM 1399 CD2 TYR A 687 187.495 -10.344 8.107 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.390 -9.097 5.647 1.00 0.00 C ATOM 1401 CE2 TYR A 687 187.996 -10.983 6.988 1.00 0.00 C ATOM 1402 CZ TYR A 687 187.941 -10.356 5.761 1.00 0.00 C ATOM 1403 OH TYR A 687 188.437 -10.990 4.645 1.00 0.00 O ATOM 0 H TYR A 687 186.758 -6.034 8.556 1.00 0.00 H new ATOM 0 HA TYR A 687 184.680 -7.771 8.095 1.00 0.00 H new ATOM 0 HB2 TYR A 687 187.200 -7.827 9.726 1.00 0.00 H new ATOM 0 HB3 TYR A 687 186.055 -9.133 9.959 1.00 0.00 H new ATOM 0 HD1 TYR A 687 186.464 -7.478 6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 687 187.539 -10.839 9.066 1.00 0.00 H new ATOM 0 HE1 TYR A 687 187.347 -8.608 4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 687 188.429 -11.969 7.074 1.00 0.00 H new ATOM 0 HH TYR A 687 188.790 -11.869 4.898 1.00 0.00 H new ATOM 1413 N ASN A 688 184.732 -6.711 11.221 1.00 0.00 N ATOM 1414 CA ASN A 688 183.932 -6.586 12.432 1.00 0.00 C ATOM 1415 C ASN A 688 182.735 -5.672 12.195 1.00 0.00 C ATOM 1416 O ASN A 688 181.630 -5.945 12.663 1.00 0.00 O ATOM 1417 CB ASN A 688 184.785 -6.042 13.580 1.00 0.00 C ATOM 1418 CG ASN A 688 185.901 -6.990 13.972 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.692 -8.197 14.092 1.00 0.00 O ATOM 1420 ND2 ASN A 688 187.096 -6.446 14.176 1.00 0.00 N ATOM 0 H ASN A 688 185.641 -6.250 11.267 1.00 0.00 H new ATOM 0 HA ASN A 688 183.566 -7.577 12.702 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.213 -5.083 13.288 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.149 -5.857 14.445 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.885 -7.034 14.443 1.00 0.00 H new ATOM 0 HD22 ASN A 688 187.224 -5.440 14.065 1.00 0.00 H new ATOM 1427 N ILE A 689 182.964 -4.587 11.461 1.00 0.00 N ATOM 1428 CA ILE A 689 181.905 -3.632 11.158 1.00 0.00 C ATOM 1429 C ILE A 689 180.762 -4.310 10.402 1.00 0.00 C ATOM 1430 O ILE A 689 179.637 -4.388 10.897 1.00 0.00 O ATOM 1431 CB ILE A 689 182.445 -2.440 10.330 1.00 0.00 C ATOM 1432 CG1 ILE A 689 183.142 -1.434 11.248 1.00 0.00 C ATOM 1433 CG2 ILE A 689 181.326 -1.756 9.551 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.651 -1.497 11.186 1.00 0.00 C ATOM 0 H ILE A 689 183.873 -4.348 11.066 1.00 0.00 H new ATOM 0 HA ILE A 689 181.527 -3.252 12.107 1.00 0.00 H new ATOM 0 HB ILE A 689 183.167 -2.827 9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 689 182.818 -0.428 10.982 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.822 -1.611 12.275 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.737 -0.923 8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.867 -2.472 8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.574 -1.383 10.246 1.00 0.00 H new ATOM 0 HD11 ILE A 689 185.074 -0.755 11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.986 -2.491 11.482 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.982 -1.290 10.168 1.00 0.00 H new ATOM 1446 N ILE A 690 181.059 -4.794 9.200 1.00 0.00 N ATOM 1447 CA ILE A 690 180.055 -5.460 8.377 1.00 0.00 C ATOM 1448 C ILE A 690 179.434 -6.644 9.112 1.00 0.00 C ATOM 1449 O ILE A 690 178.216 -6.703 9.280 1.00 0.00 O ATOM 1450 CB ILE A 690 180.652 -5.926 7.033 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.229 -4.718 6.281 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.594 -6.642 6.195 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.420 -4.940 4.794 1.00 0.00 C ATOM 0 H ILE A 690 181.984 -4.738 8.775 1.00 0.00 H new ATOM 0 HA ILE A 690 179.271 -4.731 8.172 1.00 0.00 H new ATOM 0 HB ILE A 690 181.457 -6.636 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.567 -3.865 6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 690 182.190 -4.455 6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 690 180.034 -6.963 5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 690 179.227 -7.512 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.766 -5.962 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.831 -4.038 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 690 182.107 -5.771 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.459 -5.171 4.334 1.00 0.00 H new ATOM 1465 N LEU A 691 180.268 -7.585 9.553 1.00 0.00 N ATOM 1466 CA LEU A 691 179.775 -8.758 10.275 1.00 0.00 C ATOM 1467 C LEU A 691 178.787 -8.353 11.362 1.00 0.00 C ATOM 1468 O LEU A 691 177.691 -8.901 11.461 1.00 0.00 O ATOM 1469 CB LEU A 691 180.939 -9.530 10.897 1.00 0.00 C ATOM 1470 CG LEU A 691 181.673 -10.488 9.952 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.650 -9.972 8.518 1.00 0.00 C ATOM 1472 CD2 LEU A 691 183.105 -10.698 10.421 1.00 0.00 C ATOM 0 H LEU A 691 181.280 -7.559 9.425 1.00 0.00 H new ATOM 0 HA LEU A 691 179.261 -9.400 9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.659 -8.813 11.291 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.562 -10.101 11.745 1.00 0.00 H new ATOM 0 HG LEU A 691 181.154 -11.446 9.971 1.00 0.00 H new ATOM 0 HD11 LEU A 691 182.178 -10.672 7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.617 -9.876 8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 691 182.138 -8.998 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.614 -11.380 9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.628 -9.742 10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 691 183.101 -11.123 11.425 1.00 0.00 H new ATOM 1484 N GLU A 692 179.182 -7.380 12.167 1.00 0.00 N ATOM 1485 CA GLU A 692 178.330 -6.887 13.244 1.00 0.00 C ATOM 1486 C GLU A 692 176.974 -6.445 12.698 1.00 0.00 C ATOM 1487 O GLU A 692 175.974 -6.450 13.415 1.00 0.00 O ATOM 1488 CB GLU A 692 179.008 -5.721 13.966 1.00 0.00 C ATOM 1489 CG GLU A 692 180.058 -6.158 14.976 1.00 0.00 C ATOM 1490 CD GLU A 692 179.636 -5.896 16.409 1.00 0.00 C ATOM 1491 OE1 GLU A 692 178.893 -6.727 16.970 1.00 0.00 O ATOM 1492 OE2 GLU A 692 180.050 -4.859 16.969 1.00 0.00 O ATOM 0 H GLU A 692 180.087 -6.914 12.097 1.00 0.00 H new ATOM 0 HA GLU A 692 178.172 -7.699 13.954 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.475 -5.070 13.227 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.248 -5.130 14.477 1.00 0.00 H new ATOM 0 HG2 GLU A 692 180.258 -7.222 14.849 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.991 -5.632 14.774 1.00 0.00 H new ATOM 1499 N SER A 693 176.951 -6.061 11.424 1.00 0.00 N ATOM 1500 CA SER A 693 175.721 -5.613 10.779 1.00 0.00 C ATOM 1501 C SER A 693 174.970 -6.775 10.127 1.00 0.00 C ATOM 1502 O SER A 693 173.798 -6.642 9.774 1.00 0.00 O ATOM 1503 CB SER A 693 176.033 -4.544 9.730 1.00 0.00 C ATOM 1504 OG SER A 693 176.985 -3.614 10.219 1.00 0.00 O ATOM 0 H SER A 693 177.771 -6.051 10.818 1.00 0.00 H new ATOM 0 HA SER A 693 175.080 -5.189 11.552 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.414 -5.018 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 693 175.117 -4.021 9.455 1.00 0.00 H new ATOM 0 HG SER A 693 177.861 -4.048 10.288 1.00 0.00 H new ATOM 1510 N LYS A 694 175.641 -7.917 9.972 1.00 0.00 N ATOM 1511 CA LYS A 694 175.012 -9.088 9.366 1.00 0.00 C ATOM 1512 C LYS A 694 173.795 -9.532 10.176 1.00 0.00 C ATOM 1513 O LYS A 694 172.921 -10.233 9.664 1.00 0.00 O ATOM 1514 CB LYS A 694 176.013 -10.241 9.251 1.00 0.00 C ATOM 1515 CG LYS A 694 176.606 -10.394 7.859 1.00 0.00 C ATOM 1516 CD LYS A 694 176.616 -11.848 7.410 1.00 0.00 C ATOM 1517 CE LYS A 694 177.990 -12.474 7.580 1.00 0.00 C ATOM 1518 NZ LYS A 694 178.017 -13.887 7.111 1.00 0.00 N ATOM 0 H LYS A 694 176.611 -8.055 10.255 1.00 0.00 H new ATOM 0 HA LYS A 694 174.681 -8.810 8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 694 176.821 -10.083 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 694 175.518 -11.171 9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 694 176.031 -9.798 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 694 177.624 -10.004 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 694 175.884 -12.413 7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 694 176.314 -11.909 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 694 178.725 -11.893 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 694 178.280 -12.434 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 178.971 -14.279 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 177.333 -14.448 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 177.765 -13.923 6.103 1.00 0.00 H new ATOM 1532 N SER A 695 173.741 -9.120 11.440 1.00 0.00 N ATOM 1533 CA SER A 695 172.629 -9.479 12.313 1.00 0.00 C ATOM 1534 C SER A 695 171.649 -8.316 12.480 1.00 0.00 C ATOM 1535 O SER A 695 170.648 -8.440 13.185 1.00 0.00 O ATOM 1536 CB SER A 695 173.153 -9.915 13.683 1.00 0.00 C ATOM 1537 OG SER A 695 172.190 -10.692 14.374 1.00 0.00 O ATOM 0 H SER A 695 174.453 -8.538 11.881 1.00 0.00 H new ATOM 0 HA SER A 695 172.096 -10.307 11.847 1.00 0.00 H new ATOM 0 HB2 SER A 695 174.069 -10.492 13.558 1.00 0.00 H new ATOM 0 HB3 SER A 695 173.408 -9.036 14.275 1.00 0.00 H new ATOM 0 HG SER A 695 171.305 -10.282 14.273 1.00 0.00 H new ATOM 1543 N GLU A 696 171.938 -7.188 11.832 1.00 0.00 N ATOM 1544 CA GLU A 696 171.073 -6.018 11.920 1.00 0.00 C ATOM 1545 C GLU A 696 169.918 -6.120 10.927 1.00 0.00 C ATOM 1546 O GLU A 696 170.080 -6.651 9.827 1.00 0.00 O ATOM 1547 CB GLU A 696 171.877 -4.743 11.656 1.00 0.00 C ATOM 1548 CG GLU A 696 172.433 -4.101 12.917 1.00 0.00 C ATOM 1549 CD GLU A 696 172.451 -2.587 12.839 1.00 0.00 C ATOM 1550 OE1 GLU A 696 171.437 -2.002 12.407 1.00 0.00 O ATOM 1551 OE2 GLU A 696 173.482 -1.986 13.211 1.00 0.00 O ATOM 0 H GLU A 696 172.761 -7.062 11.243 1.00 0.00 H new ATOM 0 HA GLU A 696 170.660 -5.977 12.928 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.702 -4.977 10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 696 171.241 -4.022 11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 696 171.833 -4.410 13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 696 173.446 -4.465 13.090 1.00 0.00 H new ATOM 1558 N PRO A 697 168.731 -5.614 11.302 1.00 0.00 N ATOM 1559 CA PRO A 697 167.549 -5.654 10.436 1.00 0.00 C ATOM 1560 C PRO A 697 167.634 -4.662 9.278 1.00 0.00 C ATOM 1561 O PRO A 697 166.829 -4.715 8.349 1.00 0.00 O ATOM 1562 CB PRO A 697 166.410 -5.274 11.382 1.00 0.00 C ATOM 1563 CG PRO A 697 167.054 -4.423 12.421 1.00 0.00 C ATOM 1564 CD PRO A 697 168.448 -4.964 12.596 1.00 0.00 C ATOM 0 HA PRO A 697 167.426 -6.627 9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.623 -4.732 10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.949 -6.158 11.823 1.00 0.00 H new ATOM 0 HG2 PRO A 697 167.077 -3.378 12.110 1.00 0.00 H new ATOM 0 HG3 PRO A 697 166.499 -4.465 13.358 1.00 0.00 H new ATOM 0 HD2 PRO A 697 169.163 -4.170 12.811 1.00 0.00 H new ATOM 0 HD3 PRO A 697 168.502 -5.673 13.422 1.00 0.00 H new ATOM 1572 N GLN A 698 168.608 -3.757 9.338 1.00 0.00 N ATOM 1573 CA GLN A 698 168.781 -2.758 8.289 1.00 0.00 C ATOM 1574 C GLN A 698 170.211 -2.224 8.269 1.00 0.00 C ATOM 1575 O GLN A 698 170.929 -2.308 9.266 1.00 0.00 O ATOM 1576 CB GLN A 698 167.798 -1.603 8.490 1.00 0.00 C ATOM 1577 CG GLN A 698 167.748 -0.633 7.322 1.00 0.00 C ATOM 1578 CD GLN A 698 166.541 0.283 7.377 1.00 0.00 C ATOM 1579 OE1 GLN A 698 165.920 0.448 8.428 1.00 0.00 O ATOM 1580 NE2 GLN A 698 166.200 0.885 6.243 1.00 0.00 N ATOM 0 H GLN A 698 169.286 -3.695 10.098 1.00 0.00 H new ATOM 0 HA GLN A 698 168.580 -3.238 7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.801 -2.011 8.655 1.00 0.00 H new ATOM 0 HB3 GLN A 698 168.072 -1.057 9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.657 -0.031 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 698 167.731 -1.195 6.388 1.00 0.00 H new ATOM 0 HE21 GLN A 698 166.742 0.720 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 698 165.396 1.512 6.220 1.00 0.00 H new ATOM 1589 N VAL A 699 170.620 -1.684 7.126 1.00 0.00 N ATOM 1590 CA VAL A 699 171.967 -1.145 6.973 1.00 0.00 C ATOM 1591 C VAL A 699 171.971 0.093 6.077 1.00 0.00 C ATOM 1592 O VAL A 699 171.142 0.229 5.178 1.00 0.00 O ATOM 1593 CB VAL A 699 172.923 -2.211 6.392 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.189 -1.581 5.818 1.00 0.00 C ATOM 1595 CG2 VAL A 699 173.271 -3.238 7.461 1.00 0.00 C ATOM 0 H VAL A 699 170.038 -1.608 6.292 1.00 0.00 H new ATOM 0 HA VAL A 699 172.316 -0.857 7.964 1.00 0.00 H new ATOM 0 HB VAL A 699 172.409 -2.712 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.836 -2.363 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 699 173.921 -0.889 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.716 -1.041 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.945 -3.985 7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.758 -2.740 8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 699 172.360 -3.725 7.808 1.00 0.00 H new ATOM 1605 N GLU A 700 172.924 0.984 6.331 1.00 0.00 N ATOM 1606 CA GLU A 700 173.062 2.210 5.555 1.00 0.00 C ATOM 1607 C GLU A 700 174.493 2.352 5.047 1.00 0.00 C ATOM 1608 O GLU A 700 175.419 2.560 5.831 1.00 0.00 O ATOM 1609 CB GLU A 700 172.685 3.424 6.406 1.00 0.00 C ATOM 1610 CG GLU A 700 171.910 4.485 5.642 1.00 0.00 C ATOM 1611 CD GLU A 700 171.877 5.817 6.365 1.00 0.00 C ATOM 1612 OE1 GLU A 700 172.945 6.454 6.484 1.00 0.00 O ATOM 1613 OE2 GLU A 700 170.785 6.222 6.814 1.00 0.00 O ATOM 0 H GLU A 700 173.616 0.878 7.073 1.00 0.00 H new ATOM 0 HA GLU A 700 172.387 2.159 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 700 172.088 3.091 7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.594 3.870 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 700 172.360 4.621 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 700 170.889 4.138 5.480 1.00 0.00 H new ATOM 1620 N ILE A 701 174.672 2.227 3.737 1.00 0.00 N ATOM 1621 CA ILE A 701 175.998 2.333 3.139 1.00 0.00 C ATOM 1622 C ILE A 701 176.089 3.511 2.180 1.00 0.00 C ATOM 1623 O ILE A 701 175.186 3.747 1.378 1.00 0.00 O ATOM 1624 CB ILE A 701 176.392 1.042 2.389 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.155 0.361 1.793 1.00 0.00 C ATOM 1626 CG2 ILE A 701 177.131 0.099 3.325 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.444 -0.978 1.150 1.00 0.00 C ATOM 0 H ILE A 701 173.919 2.053 3.071 1.00 0.00 H new ATOM 0 HA ILE A 701 176.693 2.490 3.964 1.00 0.00 H new ATOM 0 HB ILE A 701 177.057 1.306 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.413 0.223 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.711 1.022 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.404 -0.808 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 701 178.033 0.587 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.486 -0.158 4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.520 -1.397 0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.161 -0.845 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.859 -1.657 1.895 1.00 0.00 H new ATOM 1639 N ILE A 702 177.193 4.244 2.270 1.00 0.00 N ATOM 1640 CA ILE A 702 177.419 5.401 1.412 1.00 0.00 C ATOM 1641 C ILE A 702 178.607 5.159 0.489 1.00 0.00 C ATOM 1642 O ILE A 702 179.577 4.508 0.874 1.00 0.00 O ATOM 1643 CB ILE A 702 177.672 6.675 2.243 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.702 6.747 3.426 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.545 7.914 1.369 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.245 6.614 3.030 1.00 0.00 C ATOM 0 H ILE A 702 177.947 4.057 2.930 1.00 0.00 H new ATOM 0 HA ILE A 702 176.518 5.545 0.816 1.00 0.00 H new ATOM 0 HB ILE A 702 178.688 6.635 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.950 5.958 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.843 7.696 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.727 8.804 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.276 7.866 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.541 7.960 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.619 6.675 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.979 7.419 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.087 5.653 2.540 1.00 0.00 H new ATOM 1658 N VAL A 703 178.527 5.678 -0.731 1.00 0.00 N ATOM 1659 CA VAL A 703 179.601 5.501 -1.701 1.00 0.00 C ATOM 1660 C VAL A 703 180.032 6.827 -2.317 1.00 0.00 C ATOM 1661 O VAL A 703 179.457 7.877 -2.032 1.00 0.00 O ATOM 1662 CB VAL A 703 179.185 4.541 -2.828 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.166 3.107 -2.325 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.828 4.936 -3.391 1.00 0.00 C ATOM 0 H VAL A 703 177.734 6.222 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 703 180.442 5.075 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 703 179.919 4.610 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.870 2.441 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.160 2.831 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.454 3.019 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.550 4.246 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.080 4.897 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 703 177.881 5.949 -3.791 1.00 0.00 H new ATOM 1674 N SER A 704 181.053 6.763 -3.166 1.00 0.00 N ATOM 1675 CA SER A 704 181.577 7.951 -3.832 1.00 0.00 C ATOM 1676 C SER A 704 181.965 7.635 -5.273 1.00 0.00 C ATOM 1677 O SER A 704 182.785 6.753 -5.526 1.00 0.00 O ATOM 1678 CB SER A 704 182.789 8.492 -3.072 1.00 0.00 C ATOM 1679 OG SER A 704 183.828 7.529 -3.015 1.00 0.00 O ATOM 0 H SER A 704 181.535 5.898 -3.410 1.00 0.00 H new ATOM 0 HA SER A 704 180.795 8.710 -3.842 1.00 0.00 H new ATOM 0 HB2 SER A 704 183.154 9.396 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 704 182.493 8.772 -2.061 1.00 0.00 H new ATOM 0 HG SER A 704 183.825 6.996 -3.837 1.00 0.00 H new ATOM 1741 N GLY B 945 186.208 -9.827 0.583 1.00 0.00 N ATOM 1742 CA GLY B 945 186.466 -9.614 1.993 1.00 0.00 C ATOM 1743 C GLY B 945 185.268 -9.907 2.879 1.00 0.00 C ATOM 1744 O GLY B 945 185.414 -10.524 3.934 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.299 -10.246 2.301 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.776 -8.580 2.145 1.00 0.00 H new ATOM 1748 N ILE B 946 184.085 -9.455 2.467 1.00 0.00 N ATOM 1749 CA ILE B 946 182.879 -9.671 3.261 1.00 0.00 C ATOM 1750 C ILE B 946 181.665 -9.912 2.379 1.00 0.00 C ATOM 1751 O ILE B 946 181.549 -9.350 1.291 1.00 0.00 O ATOM 1752 CB ILE B 946 182.568 -8.469 4.192 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.630 -7.367 4.050 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.461 -8.932 5.640 1.00 0.00 C ATOM 1755 CD1 ILE B 946 184.852 -7.590 4.905 1.00 0.00 C ATOM 0 H ILE B 946 183.937 -8.943 1.598 1.00 0.00 H new ATOM 0 HA ILE B 946 183.079 -10.554 3.867 1.00 0.00 H new ATOM 0 HB ILE B 946 181.609 -8.047 3.891 1.00 0.00 H new ATOM 0 HG12 ILE B 946 183.935 -7.301 3.006 1.00 0.00 H new ATOM 0 HG13 ILE B 946 183.183 -6.408 4.313 1.00 0.00 H new ATOM 0 HG21 ILE B 946 182.243 -8.077 6.280 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.660 -9.666 5.729 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.404 -9.384 5.948 1.00 0.00 H new ATOM 0 HD11 ILE B 946 185.557 -6.773 4.752 1.00 0.00 H new ATOM 0 HD12 ILE B 946 184.560 -7.626 5.955 1.00 0.00 H new ATOM 0 HD13 ILE B 946 185.323 -8.533 4.627 1.00 0.00 H new ATOM 1767 N TRP B 947 180.745 -10.727 2.878 1.00 0.00 N ATOM 1768 CA TRP B 947 179.516 -11.015 2.158 1.00 0.00 C ATOM 1769 C TRP B 947 178.426 -10.072 2.629 1.00 0.00 C ATOM 1770 O TRP B 947 178.159 -9.965 3.826 1.00 0.00 O ATOM 1771 CB TRP B 947 179.091 -12.473 2.350 1.00 0.00 C ATOM 1772 CG TRP B 947 179.373 -13.319 1.146 1.00 0.00 C ATOM 1773 CD1 TRP B 947 180.036 -14.512 1.116 1.00 0.00 C ATOM 1774 CD2 TRP B 947 179.003 -13.031 -0.207 1.00 0.00 C ATOM 1775 NE1 TRP B 947 180.102 -14.983 -0.174 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.475 -14.090 -1.005 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.319 -11.978 -0.822 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 179.282 -14.126 -2.385 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.128 -12.015 -2.191 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.609 -13.082 -2.959 1.00 0.00 C ATOM 0 H TRP B 947 180.828 -11.199 3.778 1.00 0.00 H new ATOM 0 HA TRP B 947 179.688 -10.864 1.092 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.613 -12.889 3.212 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.025 -12.510 2.574 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.448 -15.013 1.979 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.545 -15.854 -0.465 1.00 0.00 H new ATOM 0 HE3 TRP B 947 177.946 -11.150 -0.238 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.651 -14.949 -2.980 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.599 -11.208 -2.676 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.446 -13.081 -4.027 1.00 0.00 H new ATOM 1791 N ALA B 948 177.810 -9.373 1.686 1.00 0.00 N ATOM 1792 CA ALA B 948 176.758 -8.425 2.007 1.00 0.00 C ATOM 1793 C ALA B 948 175.788 -8.273 0.842 1.00 0.00 C ATOM 1794 O ALA B 948 175.165 -9.278 0.452 1.00 0.00 O ATOM 1795 CB ALA B 948 177.366 -7.079 2.374 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.661 -7.144 0.323 1.00 0.00 O ATOM 0 H ALA B 948 178.023 -9.446 0.691 1.00 0.00 H new ATOM 0 HA ALA B 948 176.199 -8.805 2.862 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.570 -6.373 2.613 1.00 0.00 H new ATOM 0 HB2 ALA B 948 178.018 -7.198 3.239 1.00 0.00 H new ATOM 0 HB3 ALA B 948 177.946 -6.700 1.532 1.00 0.00 H new