USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=12 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 674 ASN :FLIP amide:sc= -0.257 F(o=-1.7,f=-0.18) USER MOD Set 1.2: A 693 SER OG : rot 108:sc= 0.0754 USER MOD Set 2.1: A 683 ASN : amide:sc= -1.52 K(o=-1.4,f=-2.6!) USER MOD Set 2.2: A 687 TYR OH : rot 180:sc= 0.1 USER MOD Set 3.1: A 633 LYS NZ :NH3+ -151:sc= 0.389 (180deg=0) USER MOD Set 3.2: A 650 THR OG1 : rot 84:sc= -0.796 USER MOD Set 4.1: A 617 ASN : amide:sc= -2.05 K(o=-1.8,f=-3.9!) USER MOD Set 4.2: A 698 GLN : amide:sc= 0.219 K(o=-1.8,f=-4.6) USER MOD Single : A 618 LYS NZ :NH3+ -166:sc= -0.359 (180deg=-1) USER MOD Single : A 638 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 656 SER OG : rot 180:sc= 0 USER MOD Single : A 663 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.036) USER MOD Single : A 676 LYS NZ :NH3+ -143:sc= -0.85 (180deg=-2.32) USER MOD Single : A 682 THR OG1 : rot 180:sc= 0.0333! USER MOD Single : A 688 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 694 LYS NZ :NH3+ -172:sc= 0.0056 (180deg=0) USER MOD Single : A 695 SER OG : rot 180:sc= 0 USER MOD Single : A 704 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.272 9.519 -2.467 1.00 0.00 N ATOM 248 CA GLY A 612 174.898 9.064 -2.373 1.00 0.00 C ATOM 249 C GLY A 612 174.656 8.201 -1.151 1.00 0.00 C ATOM 250 O GLY A 612 175.592 7.631 -0.591 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.234 9.928 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.643 8.499 -3.270 1.00 0.00 H new ATOM 254 N ARG A 613 173.397 8.095 -0.741 1.00 0.00 N ATOM 255 CA ARG A 613 173.033 7.285 0.417 1.00 0.00 C ATOM 256 C ARG A 613 172.297 6.028 -0.026 1.00 0.00 C ATOM 257 O ARG A 613 171.242 6.110 -0.654 1.00 0.00 O ATOM 258 CB ARG A 613 172.160 8.096 1.378 1.00 0.00 C ATOM 259 CG ARG A 613 171.893 7.393 2.698 1.00 0.00 C ATOM 260 CD ARG A 613 171.825 8.383 3.851 1.00 0.00 C ATOM 261 NE ARG A 613 170.755 8.056 4.791 1.00 0.00 N ATOM 262 CZ ARG A 613 170.233 8.926 5.652 1.00 0.00 C ATOM 263 NH1 ARG A 613 170.677 10.175 5.697 1.00 0.00 N ATOM 264 NH2 ARG A 613 169.262 8.545 6.471 1.00 0.00 N ATOM 0 H ARG A 613 172.610 8.560 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 613 173.946 6.991 0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 613 172.644 9.052 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 613 171.208 8.315 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 613 170.955 6.841 2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 613 172.680 6.663 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 613 172.779 8.393 4.377 1.00 0.00 H new ATOM 0 HD3 ARG A 613 171.668 9.387 3.458 1.00 0.00 H new ATOM 0 HE ARG A 613 170.387 7.105 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 613 171.423 10.474 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 613 170.272 10.837 6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 613 168.916 7.586 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 613 168.861 9.211 7.131 1.00 0.00 H new ATOM 278 N VAL A 614 172.862 4.862 0.283 1.00 0.00 N ATOM 279 CA VAL A 614 172.247 3.605 -0.112 1.00 0.00 C ATOM 280 C VAL A 614 171.752 2.813 1.090 1.00 0.00 C ATOM 281 O VAL A 614 172.521 2.482 1.991 1.00 0.00 O ATOM 282 CB VAL A 614 173.228 2.734 -0.922 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.558 1.447 -1.380 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.773 3.509 -2.112 1.00 0.00 C ATOM 0 H VAL A 614 173.736 4.766 0.800 1.00 0.00 H new ATOM 0 HA VAL A 614 171.392 3.862 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 614 174.063 2.468 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.270 0.849 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.223 0.882 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.701 1.687 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.464 2.878 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.949 3.808 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.298 4.397 -1.759 1.00 0.00 H new ATOM 294 N ILE A 615 170.464 2.496 1.082 1.00 0.00 N ATOM 295 CA ILE A 615 169.859 1.723 2.156 1.00 0.00 C ATOM 296 C ILE A 615 169.547 0.316 1.665 1.00 0.00 C ATOM 297 O ILE A 615 168.728 0.132 0.764 1.00 0.00 O ATOM 298 CB ILE A 615 168.565 2.374 2.680 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.680 3.901 2.658 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.265 1.884 4.088 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.750 4.440 3.581 1.00 0.00 C ATOM 0 H ILE A 615 169.817 2.764 0.340 1.00 0.00 H new ATOM 0 HA ILE A 615 170.576 1.689 2.977 1.00 0.00 H new ATOM 0 HB ILE A 615 167.743 2.085 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.892 4.227 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.719 4.334 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.348 2.351 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.141 0.801 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.091 2.148 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 615 169.775 5.528 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.528 4.145 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.719 4.036 3.289 1.00 0.00 H new ATOM 313 N LEU A 616 170.209 -0.674 2.249 1.00 0.00 N ATOM 314 CA LEU A 616 170.004 -2.060 1.852 1.00 0.00 C ATOM 315 C LEU A 616 169.534 -2.907 3.026 1.00 0.00 C ATOM 316 O LEU A 616 169.843 -2.614 4.180 1.00 0.00 O ATOM 317 CB LEU A 616 171.295 -2.634 1.265 1.00 0.00 C ATOM 318 CG LEU A 616 171.265 -2.841 -0.249 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.676 -2.905 -0.816 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.491 -4.103 -0.593 1.00 0.00 C ATOM 0 H LEU A 616 170.890 -0.544 2.997 1.00 0.00 H new ATOM 0 HA LEU A 616 169.225 -2.083 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.120 -1.966 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.504 -3.590 1.746 1.00 0.00 H new ATOM 0 HG LEU A 616 170.759 -1.989 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.628 -3.053 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.197 -1.972 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 616 173.214 -3.736 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.478 -4.238 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.971 -4.963 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.469 -4.014 -0.226 1.00 0.00 H new ATOM 332 N ASN A 617 168.780 -3.958 2.723 1.00 0.00 N ATOM 333 CA ASN A 617 168.259 -4.846 3.753 1.00 0.00 C ATOM 334 C ASN A 617 168.538 -6.304 3.410 1.00 0.00 C ATOM 335 O ASN A 617 168.514 -6.693 2.243 1.00 0.00 O ATOM 336 CB ASN A 617 166.755 -4.634 3.914 1.00 0.00 C ATOM 337 CG ASN A 617 166.425 -3.335 4.621 1.00 0.00 C ATOM 338 OD1 ASN A 617 166.706 -2.249 4.113 1.00 0.00 O ATOM 339 ND2 ASN A 617 165.825 -3.439 5.802 1.00 0.00 N ATOM 0 H ASN A 617 168.516 -4.215 1.772 1.00 0.00 H new ATOM 0 HA ASN A 617 168.762 -4.610 4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.283 -4.639 2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 617 166.332 -5.467 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 617 165.579 -2.598 6.325 1.00 0.00 H new ATOM 0 HD22 ASN A 617 165.610 -4.359 6.186 1.00 0.00 H new ATOM 346 N LYS A 618 168.800 -7.110 4.433 1.00 0.00 N ATOM 347 CA LYS A 618 169.079 -8.529 4.237 1.00 0.00 C ATOM 348 C LYS A 618 167.892 -9.380 4.681 1.00 0.00 C ATOM 349 O LYS A 618 167.674 -10.475 4.165 1.00 0.00 O ATOM 350 CB LYS A 618 170.340 -8.948 5.002 1.00 0.00 C ATOM 351 CG LYS A 618 170.597 -8.142 6.268 1.00 0.00 C ATOM 352 CD LYS A 618 171.795 -8.676 7.040 1.00 0.00 C ATOM 353 CE LYS A 618 173.084 -8.521 6.248 1.00 0.00 C ATOM 354 NZ LYS A 618 173.938 -9.737 6.330 1.00 0.00 N ATOM 0 H LYS A 618 168.825 -6.806 5.406 1.00 0.00 H new ATOM 0 HA LYS A 618 169.248 -8.692 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.258 -10.002 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 618 171.202 -8.851 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 618 170.768 -7.098 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 618 169.712 -8.170 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 618 171.884 -8.146 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 618 171.637 -9.728 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 618 172.846 -8.315 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.639 -7.662 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 174.894 -9.514 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 173.992 -10.057 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 173.526 -10.491 5.744 1.00 0.00 H new ATOM 516 N LEU A 629 172.874 -12.673 2.119 1.00 0.00 N ATOM 517 CA LEU A 629 172.943 -11.303 2.622 1.00 0.00 C ATOM 518 C LEU A 629 171.973 -10.390 1.855 1.00 0.00 C ATOM 519 O LEU A 629 170.812 -10.752 1.659 1.00 0.00 O ATOM 520 CB LEU A 629 174.382 -10.774 2.530 1.00 0.00 C ATOM 521 CG LEU A 629 175.506 -11.819 2.553 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.248 -12.898 3.589 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.706 -12.427 1.174 1.00 0.00 C ATOM 0 HA LEU A 629 172.643 -11.304 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.474 -10.197 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.544 -10.083 3.357 1.00 0.00 H new ATOM 0 HG LEU A 629 176.425 -11.307 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 629 176.065 -13.619 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.181 -12.444 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.312 -13.407 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.507 -13.165 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.784 -12.910 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.971 -11.642 0.465 1.00 0.00 H new ATOM 535 N LEU A 630 172.436 -9.211 1.416 1.00 0.00 N ATOM 536 CA LEU A 630 171.576 -8.290 0.676 1.00 0.00 C ATOM 537 C LEU A 630 171.686 -8.537 -0.827 1.00 0.00 C ATOM 538 O LEU A 630 170.757 -9.069 -1.437 1.00 0.00 O ATOM 539 CB LEU A 630 171.895 -6.819 1.001 1.00 0.00 C ATOM 540 CG LEU A 630 173.218 -6.560 1.726 1.00 0.00 C ATOM 541 CD1 LEU A 630 173.555 -5.077 1.719 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.168 -7.090 3.148 1.00 0.00 C ATOM 0 H LEU A 630 173.390 -8.880 1.560 1.00 0.00 H new ATOM 0 HA LEU A 630 170.551 -8.483 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 630 171.899 -6.255 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.085 -6.419 1.612 1.00 0.00 H new ATOM 0 HG LEU A 630 174.005 -7.092 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 630 174.499 -4.916 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 630 173.644 -4.729 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 630 172.764 -4.522 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.119 -6.894 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 630 172.366 -6.593 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 630 172.983 -8.164 3.130 1.00 0.00 H new ATOM 554 N GLY A 631 172.816 -8.159 -1.432 1.00 0.00 N ATOM 555 CA GLY A 631 172.974 -8.375 -2.862 1.00 0.00 C ATOM 556 C GLY A 631 174.315 -7.930 -3.437 1.00 0.00 C ATOM 557 O GLY A 631 174.419 -7.710 -4.643 1.00 0.00 O ATOM 0 H GLY A 631 173.608 -7.716 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.840 -9.436 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.178 -7.845 -3.384 1.00 0.00 H new ATOM 561 N LEU A 632 175.347 -7.808 -2.604 1.00 0.00 N ATOM 562 CA LEU A 632 176.663 -7.402 -3.100 1.00 0.00 C ATOM 563 C LEU A 632 177.780 -7.773 -2.125 1.00 0.00 C ATOM 564 O LEU A 632 177.612 -7.703 -0.913 1.00 0.00 O ATOM 565 CB LEU A 632 176.688 -5.895 -3.429 1.00 0.00 C ATOM 566 CG LEU A 632 176.652 -4.904 -2.251 1.00 0.00 C ATOM 567 CD1 LEU A 632 175.388 -5.068 -1.420 1.00 0.00 C ATOM 568 CD2 LEU A 632 177.891 -5.035 -1.377 1.00 0.00 C ATOM 0 H LEU A 632 175.302 -7.981 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 632 176.847 -7.954 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.588 -5.693 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.837 -5.679 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 632 176.644 -3.901 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 632 175.398 -4.352 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 632 174.515 -4.889 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 632 175.345 -6.081 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 632 177.834 -4.321 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 632 177.948 -6.047 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 632 178.780 -4.831 -1.973 1.00 0.00 H new ATOM 580 N LYS A 633 178.932 -8.153 -2.661 1.00 0.00 N ATOM 581 CA LYS A 633 180.073 -8.514 -1.828 1.00 0.00 C ATOM 582 C LYS A 633 181.021 -7.327 -1.708 1.00 0.00 C ATOM 583 O LYS A 633 181.356 -6.692 -2.708 1.00 0.00 O ATOM 584 CB LYS A 633 180.812 -9.717 -2.421 1.00 0.00 C ATOM 585 CG LYS A 633 180.824 -10.935 -1.510 1.00 0.00 C ATOM 586 CD LYS A 633 182.202 -11.576 -1.454 1.00 0.00 C ATOM 587 CE LYS A 633 182.339 -12.698 -2.472 1.00 0.00 C ATOM 588 NZ LYS A 633 183.219 -12.314 -3.612 1.00 0.00 N ATOM 0 H LYS A 633 179.102 -8.219 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 633 179.710 -8.785 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 633 180.347 -9.987 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.840 -9.429 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 633 180.517 -10.643 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 633 180.097 -11.664 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 633 182.964 -10.819 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 633 182.381 -11.968 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 633 182.745 -13.583 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 633 181.353 -12.967 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 182.925 -12.829 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 183.142 -11.291 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 184.205 -12.554 -3.386 1.00 0.00 H new ATOM 602 N VAL A 634 181.443 -7.021 -0.488 1.00 0.00 N ATOM 603 CA VAL A 634 182.342 -5.896 -0.264 1.00 0.00 C ATOM 604 C VAL A 634 183.686 -6.350 0.283 1.00 0.00 C ATOM 605 O VAL A 634 183.794 -7.390 0.925 1.00 0.00 O ATOM 606 CB VAL A 634 181.725 -4.867 0.708 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.812 -4.080 1.436 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.796 -3.927 -0.041 1.00 0.00 C ATOM 0 H VAL A 634 181.180 -7.531 0.355 1.00 0.00 H new ATOM 0 HA VAL A 634 182.496 -5.426 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 634 181.146 -5.409 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.350 -3.363 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.438 -4.766 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.425 -3.548 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.368 -3.207 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.357 -3.397 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 634 179.995 -4.501 -0.507 1.00 0.00 H new ATOM 618 N VAL A 635 184.705 -5.543 0.024 1.00 0.00 N ATOM 619 CA VAL A 635 186.045 -5.833 0.489 1.00 0.00 C ATOM 620 C VAL A 635 186.524 -4.754 1.457 1.00 0.00 C ATOM 621 O VAL A 635 185.972 -3.656 1.494 1.00 0.00 O ATOM 622 CB VAL A 635 187.012 -5.974 -0.708 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.331 -5.251 -0.471 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.240 -7.442 -1.002 1.00 0.00 C ATOM 0 H VAL A 635 184.623 -4.678 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 635 186.029 -6.781 1.026 1.00 0.00 H new ATOM 0 HB VAL A 635 186.552 -5.499 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 635 188.977 -5.379 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.141 -4.189 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.821 -5.667 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.922 -7.542 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.673 -7.925 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.289 -7.916 -1.245 1.00 0.00 H new ATOM 634 N GLY A 636 187.546 -5.076 2.241 1.00 0.00 N ATOM 635 CA GLY A 636 188.074 -4.121 3.199 1.00 0.00 C ATOM 636 C GLY A 636 189.588 -4.151 3.275 1.00 0.00 C ATOM 637 O GLY A 636 190.205 -5.198 3.077 1.00 0.00 O ATOM 0 H GLY A 636 188.019 -5.980 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.747 -3.118 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.660 -4.333 4.185 1.00 0.00 H new ATOM 641 N GLY A 637 190.186 -3.000 3.563 1.00 0.00 N ATOM 642 CA GLY A 637 191.632 -2.921 3.660 1.00 0.00 C ATOM 643 C GLY A 637 192.294 -2.757 2.307 1.00 0.00 C ATOM 644 O GLY A 637 193.168 -3.541 1.937 1.00 0.00 O ATOM 0 H GLY A 637 189.696 -2.121 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.905 -2.081 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 637 192.011 -3.823 4.140 1.00 0.00 H new ATOM 648 N LYS A 638 191.874 -1.737 1.565 1.00 0.00 N ATOM 649 CA LYS A 638 192.430 -1.474 0.243 1.00 0.00 C ATOM 650 C LYS A 638 193.041 -0.079 0.175 1.00 0.00 C ATOM 651 O LYS A 638 192.345 0.905 -0.076 1.00 0.00 O ATOM 652 CB LYS A 638 191.346 -1.622 -0.825 1.00 0.00 C ATOM 653 CG LYS A 638 190.773 -3.026 -0.921 1.00 0.00 C ATOM 654 CD LYS A 638 191.802 -4.012 -1.453 1.00 0.00 C ATOM 655 CE LYS A 638 191.722 -5.346 -0.728 1.00 0.00 C ATOM 656 NZ LYS A 638 192.957 -6.157 -0.921 1.00 0.00 N ATOM 0 H LYS A 638 191.151 -1.080 1.857 1.00 0.00 H new ATOM 0 HA LYS A 638 193.218 -2.203 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.538 -0.923 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.761 -1.341 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.432 -3.349 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.901 -3.020 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 638 191.642 -4.166 -2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 638 192.802 -3.594 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 638 191.564 -5.172 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 638 190.860 -5.905 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 192.863 -7.059 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 193.094 -6.345 -1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 193.777 -5.634 -0.552 1.00 0.00 H new ATOM 763 N LEU A 645 192.451 3.757 3.730 1.00 0.00 N ATOM 764 CA LEU A 645 191.807 2.457 3.588 1.00 0.00 C ATOM 765 C LEU A 645 190.293 2.603 3.486 1.00 0.00 C ATOM 766 O LEU A 645 189.703 3.492 4.101 1.00 0.00 O ATOM 767 CB LEU A 645 192.166 1.552 4.769 1.00 0.00 C ATOM 768 CG LEU A 645 193.502 0.815 4.644 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.682 -0.165 5.796 1.00 0.00 C ATOM 770 CD2 LEU A 645 193.593 0.092 3.308 1.00 0.00 C ATOM 0 HA LEU A 645 192.171 2.002 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 645 192.186 2.156 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.373 0.815 4.895 1.00 0.00 H new ATOM 0 HG LEU A 645 194.305 1.551 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.637 -0.679 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.665 0.378 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 645 192.873 -0.895 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 645 194.550 -0.426 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 645 192.782 -0.632 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 645 193.512 0.815 2.497 1.00 0.00 H new ATOM 782 N GLY A 646 189.671 1.726 2.706 1.00 0.00 N ATOM 783 CA GLY A 646 188.230 1.773 2.536 1.00 0.00 C ATOM 784 C GLY A 646 187.649 0.431 2.138 1.00 0.00 C ATOM 785 O GLY A 646 188.275 -0.609 2.342 1.00 0.00 O ATOM 0 H GLY A 646 190.139 0.983 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.768 2.104 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 646 187.981 2.513 1.776 1.00 0.00 H new ATOM 789 N ALA A 647 186.448 0.454 1.569 1.00 0.00 N ATOM 790 CA ALA A 647 185.783 -0.771 1.142 1.00 0.00 C ATOM 791 C ALA A 647 185.329 -0.677 -0.309 1.00 0.00 C ATOM 792 O ALA A 647 184.933 0.389 -0.779 1.00 0.00 O ATOM 793 CB ALA A 647 184.599 -1.074 2.048 1.00 0.00 C ATOM 0 H ALA A 647 185.916 1.307 1.393 1.00 0.00 H new ATOM 0 HA ALA A 647 186.502 -1.586 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.113 -1.991 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.948 -1.198 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.887 -0.250 2.004 1.00 0.00 H new ATOM 799 N PHE A 648 185.386 -1.803 -1.014 1.00 0.00 N ATOM 800 CA PHE A 648 184.979 -1.851 -2.415 1.00 0.00 C ATOM 801 C PHE A 648 184.130 -3.089 -2.689 1.00 0.00 C ATOM 802 O PHE A 648 184.374 -4.156 -2.129 1.00 0.00 O ATOM 803 CB PHE A 648 186.208 -1.848 -3.325 1.00 0.00 C ATOM 804 CG PHE A 648 187.063 -0.622 -3.177 1.00 0.00 C ATOM 805 CD1 PHE A 648 187.986 -0.527 -2.147 1.00 0.00 C ATOM 806 CD2 PHE A 648 186.944 0.435 -4.064 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.775 0.599 -2.007 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.729 1.564 -3.929 1.00 0.00 C ATOM 809 CZ PHE A 648 188.645 1.646 -2.900 1.00 0.00 C ATOM 0 H PHE A 648 185.710 -2.694 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 648 184.379 -0.966 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 648 186.811 -2.730 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 648 185.882 -1.930 -4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 648 188.090 -1.342 -1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 648 186.229 0.376 -4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.492 0.661 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 648 187.626 2.381 -4.628 1.00 0.00 H new ATOM 0 HZ PHE A 648 189.260 2.527 -2.793 1.00 0.00 H new ATOM 819 N ILE A 649 183.131 -2.938 -3.553 1.00 0.00 N ATOM 820 CA ILE A 649 182.249 -4.047 -3.897 1.00 0.00 C ATOM 821 C ILE A 649 182.903 -4.968 -4.925 1.00 0.00 C ATOM 822 O ILE A 649 183.196 -4.555 -6.047 1.00 0.00 O ATOM 823 CB ILE A 649 180.899 -3.539 -4.452 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.160 -2.723 -3.389 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.037 -4.703 -4.922 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.339 -1.589 -3.965 1.00 0.00 C ATOM 0 H ILE A 649 182.913 -2.061 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 649 182.065 -4.607 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 649 181.101 -2.896 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.505 -3.385 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 649 180.886 -2.315 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.092 -4.323 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.558 -5.247 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.843 -5.373 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.842 -1.052 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.993 -0.905 -4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.590 -1.992 -4.647 1.00 0.00 H new ATOM 838 N THR A 650 183.135 -6.216 -4.530 1.00 0.00 N ATOM 839 CA THR A 650 183.762 -7.194 -5.413 1.00 0.00 C ATOM 840 C THR A 650 182.796 -7.670 -6.495 1.00 0.00 C ATOM 841 O THR A 650 183.215 -8.013 -7.601 1.00 0.00 O ATOM 842 CB THR A 650 184.274 -8.395 -4.610 1.00 0.00 C ATOM 843 OG1 THR A 650 183.228 -9.315 -4.352 1.00 0.00 O ATOM 844 CG2 THR A 650 184.890 -8.013 -3.280 1.00 0.00 C ATOM 0 H THR A 650 182.898 -6.574 -3.605 1.00 0.00 H new ATOM 0 HA THR A 650 184.605 -6.702 -5.899 1.00 0.00 H new ATOM 0 HB THR A 650 185.047 -8.844 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.118 -9.910 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.231 -8.911 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 650 185.737 -7.348 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 650 184.146 -7.504 -2.667 1.00 0.00 H new ATOM 852 N LYS A 651 181.503 -7.694 -6.177 1.00 0.00 N ATOM 853 CA LYS A 651 180.499 -8.137 -7.141 1.00 0.00 C ATOM 854 C LYS A 651 179.082 -7.884 -6.636 1.00 0.00 C ATOM 855 O LYS A 651 178.847 -7.754 -5.436 1.00 0.00 O ATOM 856 CB LYS A 651 180.681 -9.625 -7.447 1.00 0.00 C ATOM 857 CG LYS A 651 180.422 -10.534 -6.255 1.00 0.00 C ATOM 858 CD LYS A 651 181.011 -11.918 -6.472 1.00 0.00 C ATOM 859 CE LYS A 651 180.215 -12.709 -7.497 1.00 0.00 C ATOM 860 NZ LYS A 651 180.403 -14.177 -7.336 1.00 0.00 N ATOM 0 H LYS A 651 181.129 -7.415 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 651 180.640 -7.557 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 651 180.008 -9.904 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.697 -9.791 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.853 -10.091 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.348 -10.617 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 651 182.045 -11.826 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 651 181.028 -12.460 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 651 179.157 -12.466 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 651 180.520 -12.412 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 179.843 -14.680 -8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 181.409 -14.413 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 180.088 -14.465 -6.388 1.00 0.00 H new ATOM 874 N VAL A 652 178.139 -7.822 -7.574 1.00 0.00 N ATOM 875 CA VAL A 652 176.734 -7.592 -7.245 1.00 0.00 C ATOM 876 C VAL A 652 175.843 -8.647 -7.894 1.00 0.00 C ATOM 877 O VAL A 652 175.999 -8.962 -9.074 1.00 0.00 O ATOM 878 CB VAL A 652 176.248 -6.193 -7.696 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.019 -5.291 -6.496 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.229 -5.550 -8.664 1.00 0.00 C ATOM 0 H VAL A 652 178.324 -7.928 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 652 176.661 -7.655 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 652 175.300 -6.326 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.678 -4.313 -6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.263 -5.734 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 652 176.951 -5.178 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.857 -4.569 -8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.199 -5.439 -8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.335 -6.180 -9.547 1.00 0.00 H new ATOM 890 N LYS A 653 174.907 -9.184 -7.121 1.00 0.00 N ATOM 891 CA LYS A 653 173.988 -10.196 -7.629 1.00 0.00 C ATOM 892 C LYS A 653 172.823 -9.542 -8.367 1.00 0.00 C ATOM 893 O LYS A 653 171.933 -8.958 -7.749 1.00 0.00 O ATOM 894 CB LYS A 653 173.464 -11.064 -6.482 1.00 0.00 C ATOM 895 CG LYS A 653 174.185 -12.396 -6.350 1.00 0.00 C ATOM 896 CD LYS A 653 173.392 -13.525 -6.988 1.00 0.00 C ATOM 897 CE LYS A 653 174.212 -14.803 -7.078 1.00 0.00 C ATOM 898 NZ LYS A 653 174.674 -15.070 -8.468 1.00 0.00 N ATOM 0 H LYS A 653 174.764 -8.937 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 653 174.531 -10.830 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 653 173.561 -10.513 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.401 -11.249 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 653 175.166 -12.328 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 653 174.352 -12.618 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 653 172.490 -13.711 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 653 173.071 -13.227 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 653 175.075 -14.728 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 653 173.614 -15.644 -6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 175.229 -15.949 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 173.850 -15.167 -9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 175.266 -14.280 -8.795 1.00 0.00 H new ATOM 912 N LYS A 654 172.837 -9.643 -9.693 1.00 0.00 N ATOM 913 CA LYS A 654 171.785 -9.059 -10.518 1.00 0.00 C ATOM 914 C LYS A 654 170.414 -9.603 -10.127 1.00 0.00 C ATOM 915 O LYS A 654 170.070 -10.738 -10.458 1.00 0.00 O ATOM 916 CB LYS A 654 172.054 -9.340 -11.998 1.00 0.00 C ATOM 917 CG LYS A 654 171.606 -8.220 -12.924 1.00 0.00 C ATOM 918 CD LYS A 654 172.790 -7.434 -13.470 1.00 0.00 C ATOM 919 CE LYS A 654 172.912 -6.071 -12.806 1.00 0.00 C ATOM 920 NZ LYS A 654 172.480 -4.972 -13.712 1.00 0.00 N ATOM 0 H LYS A 654 173.566 -10.124 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 654 171.787 -7.982 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 654 173.121 -9.510 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 654 171.544 -10.261 -12.282 1.00 0.00 H new ATOM 0 HG2 LYS A 654 171.034 -8.639 -13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 654 170.940 -7.547 -12.385 1.00 0.00 H new ATOM 0 HD2 LYS A 654 173.708 -8.000 -13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 654 172.677 -7.306 -14.547 1.00 0.00 H new ATOM 0 HE2 LYS A 654 172.307 -6.053 -11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 654 173.946 -5.906 -12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 172.578 -4.060 -13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 173.074 -4.972 -14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 171.486 -5.115 -13.982 1.00 0.00 H new ATOM 934 N GLY A 655 169.638 -8.788 -9.419 1.00 0.00 N ATOM 935 CA GLY A 655 168.316 -9.207 -8.993 1.00 0.00 C ATOM 936 C GLY A 655 168.121 -9.058 -7.498 1.00 0.00 C ATOM 937 O GLY A 655 167.000 -8.867 -7.028 1.00 0.00 O ATOM 0 H GLY A 655 169.902 -7.845 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.564 -8.617 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 655 168.158 -10.248 -9.276 1.00 0.00 H new ATOM 941 N SER A 656 169.216 -9.146 -6.751 1.00 0.00 N ATOM 942 CA SER A 656 169.163 -9.018 -5.300 1.00 0.00 C ATOM 943 C SER A 656 168.787 -7.597 -4.895 1.00 0.00 C ATOM 944 O SER A 656 168.666 -6.711 -5.741 1.00 0.00 O ATOM 945 CB SER A 656 170.509 -9.398 -4.683 1.00 0.00 C ATOM 946 OG SER A 656 170.658 -10.805 -4.608 1.00 0.00 O ATOM 0 H SER A 656 170.151 -9.305 -7.127 1.00 0.00 H new ATOM 0 HA SER A 656 168.397 -9.698 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 656 171.318 -8.975 -5.279 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.589 -8.967 -3.685 1.00 0.00 H new ATOM 0 HG SER A 656 171.528 -11.021 -4.211 1.00 0.00 H new ATOM 952 N LEU A 657 168.603 -7.386 -3.598 1.00 0.00 N ATOM 953 CA LEU A 657 168.238 -6.072 -3.079 1.00 0.00 C ATOM 954 C LEU A 657 169.276 -5.022 -3.461 1.00 0.00 C ATOM 955 O LEU A 657 168.941 -3.964 -3.989 1.00 0.00 O ATOM 956 CB LEU A 657 168.092 -6.126 -1.557 1.00 0.00 C ATOM 957 CG LEU A 657 166.756 -6.678 -1.052 1.00 0.00 C ATOM 958 CD1 LEU A 657 166.975 -7.629 0.114 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.830 -5.542 -0.644 1.00 0.00 C ATOM 0 H LEU A 657 168.700 -8.108 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 657 167.284 -5.789 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 657 168.897 -6.739 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 657 168.226 -5.120 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 657 166.286 -7.233 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 657 166.014 -8.010 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 657 167.601 -8.461 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 657 167.468 -7.098 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 657 164.885 -5.953 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.296 -4.961 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.644 -4.898 -1.503 1.00 0.00 H new ATOM 971 N ALA A 658 170.537 -5.326 -3.180 1.00 0.00 N ATOM 972 CA ALA A 658 171.641 -4.416 -3.477 1.00 0.00 C ATOM 973 C ALA A 658 171.547 -3.843 -4.887 1.00 0.00 C ATOM 974 O ALA A 658 172.021 -2.738 -5.152 1.00 0.00 O ATOM 975 CB ALA A 658 172.971 -5.130 -3.292 1.00 0.00 C ATOM 0 H ALA A 658 170.824 -6.202 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 658 171.574 -3.582 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.787 -4.443 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 658 173.059 -5.474 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 658 173.022 -5.985 -3.966 1.00 0.00 H new ATOM 981 N ASP A 659 170.950 -4.604 -5.789 1.00 0.00 N ATOM 982 CA ASP A 659 170.811 -4.178 -7.177 1.00 0.00 C ATOM 983 C ASP A 659 169.554 -3.339 -7.391 1.00 0.00 C ATOM 984 O ASP A 659 169.594 -2.302 -8.052 1.00 0.00 O ATOM 985 CB ASP A 659 170.785 -5.395 -8.103 1.00 0.00 C ATOM 986 CG ASP A 659 171.545 -5.155 -9.393 1.00 0.00 C ATOM 987 OD1 ASP A 659 171.186 -4.210 -10.126 1.00 0.00 O ATOM 988 OD2 ASP A 659 172.497 -5.913 -9.671 1.00 0.00 O ATOM 0 H ASP A 659 170.552 -5.521 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 659 171.673 -3.555 -7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.215 -6.252 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.751 -5.649 -8.335 1.00 0.00 H new ATOM 993 N VAL A 660 168.438 -3.806 -6.850 1.00 0.00 N ATOM 994 CA VAL A 660 167.162 -3.105 -7.007 1.00 0.00 C ATOM 995 C VAL A 660 167.033 -1.910 -6.063 1.00 0.00 C ATOM 996 O VAL A 660 166.633 -0.825 -6.487 1.00 0.00 O ATOM 997 CB VAL A 660 165.954 -4.046 -6.799 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.574 -4.719 -8.109 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.241 -5.087 -5.727 1.00 0.00 C ATOM 0 H VAL A 660 168.385 -4.663 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 660 167.156 -2.740 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 660 165.113 -3.442 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.722 -5.378 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.309 -3.960 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.418 -5.302 -8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.372 -5.733 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 660 167.101 -5.688 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.457 -4.587 -4.783 1.00 0.00 H new ATOM 1009 N VAL A 661 167.356 -2.102 -4.787 1.00 0.00 N ATOM 1010 CA VAL A 661 167.251 -1.019 -3.811 1.00 0.00 C ATOM 1011 C VAL A 661 168.568 -0.255 -3.674 1.00 0.00 C ATOM 1012 O VAL A 661 168.571 0.945 -3.399 1.00 0.00 O ATOM 1013 CB VAL A 661 166.804 -1.541 -2.427 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.932 -2.279 -1.720 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.290 -0.393 -1.569 1.00 0.00 C ATOM 0 H VAL A 661 167.689 -2.988 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 661 166.490 -0.335 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 661 165.992 -2.252 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.583 -2.633 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 661 168.246 -3.130 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.776 -1.604 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 661 165.979 -0.776 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.083 0.342 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.440 0.078 -2.063 1.00 0.00 H new ATOM 1025 N GLY A 662 169.681 -0.952 -3.872 1.00 0.00 N ATOM 1026 CA GLY A 662 170.981 -0.313 -3.772 1.00 0.00 C ATOM 1027 C GLY A 662 171.386 0.356 -5.070 1.00 0.00 C ATOM 1028 O GLY A 662 171.665 1.554 -5.100 1.00 0.00 O ATOM 0 H GLY A 662 169.707 -1.946 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.960 0.428 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.730 -1.056 -3.498 1.00 0.00 H new ATOM 1032 N HIS A 663 171.404 -0.423 -6.146 1.00 0.00 N ATOM 1033 CA HIS A 663 171.761 0.088 -7.464 1.00 0.00 C ATOM 1034 C HIS A 663 173.239 0.467 -7.547 1.00 0.00 C ATOM 1035 O HIS A 663 173.579 1.610 -7.856 1.00 0.00 O ATOM 1036 CB HIS A 663 170.891 1.297 -7.819 1.00 0.00 C ATOM 1037 CG HIS A 663 170.477 1.334 -9.257 1.00 0.00 C ATOM 1038 ND1 HIS A 663 169.456 2.133 -9.728 1.00 0.00 N ATOM 1039 CD2 HIS A 663 170.952 0.663 -10.334 1.00 0.00 C ATOM 1040 CE1 HIS A 663 169.322 1.952 -11.029 1.00 0.00 C ATOM 1041 NE2 HIS A 663 170.218 1.066 -11.422 1.00 0.00 N ATOM 0 H HIS A 663 171.174 -1.417 -6.130 1.00 0.00 H new ATOM 0 HA HIS A 663 171.582 -0.711 -8.183 1.00 0.00 H new ATOM 0 HB2 HIS A 663 169.999 1.289 -7.193 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.438 2.210 -7.583 1.00 0.00 H new ATOM 0 HD2 HIS A 663 171.758 -0.055 -10.336 1.00 0.00 H new ATOM 0 HE1 HIS A 663 168.601 2.445 -11.664 1.00 0.00 H new ATOM 0 HE2 HIS A 663 170.344 0.735 -12.378 1.00 0.00 H new ATOM 1050 N LEU A 664 174.118 -0.502 -7.298 1.00 0.00 N ATOM 1051 CA LEU A 664 175.553 -0.261 -7.379 1.00 0.00 C ATOM 1052 C LEU A 664 176.220 -1.375 -8.174 1.00 0.00 C ATOM 1053 O LEU A 664 175.571 -2.346 -8.560 1.00 0.00 O ATOM 1054 CB LEU A 664 176.191 -0.133 -5.988 1.00 0.00 C ATOM 1055 CG LEU A 664 175.569 -0.985 -4.880 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.180 -0.482 -4.530 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.526 -2.445 -5.292 1.00 0.00 C ATOM 0 H LEU A 664 173.862 -1.455 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 664 175.706 0.689 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.246 -0.394 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.144 0.913 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 664 176.193 -0.899 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.757 -1.102 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.243 0.550 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.542 -0.532 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 664 175.081 -3.036 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.928 -2.550 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.539 -2.799 -5.484 1.00 0.00 H new ATOM 1069 N ARG A 665 177.512 -1.226 -8.432 1.00 0.00 N ATOM 1070 CA ARG A 665 178.247 -2.223 -9.200 1.00 0.00 C ATOM 1071 C ARG A 665 179.612 -2.500 -8.590 1.00 0.00 C ATOM 1072 O ARG A 665 180.162 -1.673 -7.864 1.00 0.00 O ATOM 1073 CB ARG A 665 178.413 -1.759 -10.649 1.00 0.00 C ATOM 1074 CG ARG A 665 178.720 -0.275 -10.785 1.00 0.00 C ATOM 1075 CD ARG A 665 179.722 -0.012 -11.896 1.00 0.00 C ATOM 1076 NE ARG A 665 181.079 -0.393 -11.510 1.00 0.00 N ATOM 1077 CZ ARG A 665 182.162 -0.113 -12.233 1.00 0.00 C ATOM 1078 NH1 ARG A 665 182.051 0.548 -13.378 1.00 0.00 N ATOM 1079 NH2 ARG A 665 183.359 -0.497 -11.810 1.00 0.00 N ATOM 0 H ARG A 665 178.070 -0.430 -8.123 1.00 0.00 H new ATOM 0 HA ARG A 665 177.671 -3.148 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 665 179.215 -2.331 -11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 665 177.500 -1.984 -11.200 1.00 0.00 H new ATOM 0 HG2 ARG A 665 177.799 0.271 -10.988 1.00 0.00 H new ATOM 0 HG3 ARG A 665 179.114 0.104 -9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 665 179.429 -0.567 -12.787 1.00 0.00 H new ATOM 0 HD3 ARG A 665 179.703 1.046 -12.159 1.00 0.00 H new ATOM 0 HE ARG A 665 181.204 -0.903 -10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 665 181.133 0.845 -13.709 1.00 0.00 H new ATOM 0 HH12 ARG A 665 182.884 0.760 -13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 665 183.450 -1.007 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 665 184.188 -0.283 -12.364 1.00 0.00 H new ATOM 1093 N ALA A 666 180.157 -3.673 -8.900 1.00 0.00 N ATOM 1094 CA ALA A 666 181.463 -4.067 -8.394 1.00 0.00 C ATOM 1095 C ALA A 666 182.511 -3.012 -8.723 1.00 0.00 C ATOM 1096 O ALA A 666 182.727 -2.680 -9.890 1.00 0.00 O ATOM 1097 CB ALA A 666 181.862 -5.416 -8.970 1.00 0.00 C ATOM 0 H ALA A 666 179.711 -4.367 -9.501 1.00 0.00 H new ATOM 0 HA ALA A 666 181.402 -4.155 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 666 182.841 -5.701 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.126 -6.167 -8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 666 181.906 -5.349 -10.057 1.00 0.00 H new ATOM 1103 N GLY A 667 183.149 -2.481 -7.691 1.00 0.00 N ATOM 1104 CA GLY A 667 184.155 -1.457 -7.888 1.00 0.00 C ATOM 1105 C GLY A 667 183.846 -0.204 -7.094 1.00 0.00 C ATOM 1106 O GLY A 667 184.740 0.586 -6.792 1.00 0.00 O ATOM 0 H GLY A 667 182.988 -2.741 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.130 -1.844 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.219 -1.209 -8.948 1.00 0.00 H new ATOM 1110 N ASP A 668 182.573 -0.030 -6.748 1.00 0.00 N ATOM 1111 CA ASP A 668 182.143 1.130 -5.975 1.00 0.00 C ATOM 1112 C ASP A 668 182.812 1.133 -4.606 1.00 0.00 C ATOM 1113 O ASP A 668 182.966 0.087 -3.977 1.00 0.00 O ATOM 1114 CB ASP A 668 180.621 1.130 -5.818 1.00 0.00 C ATOM 1115 CG ASP A 668 179.946 2.133 -6.733 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.441 2.334 -7.862 1.00 0.00 O ATOM 1117 OD2 ASP A 668 178.922 2.717 -6.320 1.00 0.00 O ATOM 0 H ASP A 668 181.823 -0.677 -6.991 1.00 0.00 H new ATOM 0 HA ASP A 668 182.440 2.032 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.237 0.132 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.365 1.357 -4.783 1.00 0.00 H new ATOM 1122 N GLU A 669 183.214 2.314 -4.149 1.00 0.00 N ATOM 1123 CA GLU A 669 183.873 2.444 -2.855 1.00 0.00 C ATOM 1124 C GLU A 669 182.900 2.926 -1.785 1.00 0.00 C ATOM 1125 O GLU A 669 182.448 4.071 -1.816 1.00 0.00 O ATOM 1126 CB GLU A 669 185.056 3.409 -2.959 1.00 0.00 C ATOM 1127 CG GLU A 669 186.076 3.242 -1.846 1.00 0.00 C ATOM 1128 CD GLU A 669 187.250 4.192 -1.984 1.00 0.00 C ATOM 1129 OE1 GLU A 669 187.535 4.622 -3.121 1.00 0.00 O ATOM 1130 OE2 GLU A 669 187.883 4.507 -0.954 1.00 0.00 O ATOM 0 H GLU A 669 183.095 3.192 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 669 184.237 1.459 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.551 3.262 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.681 4.433 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.590 3.408 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.442 2.215 -1.845 1.00 0.00 H new ATOM 1137 N VAL A 670 182.589 2.050 -0.834 1.00 0.00 N ATOM 1138 CA VAL A 670 181.678 2.395 0.249 1.00 0.00 C ATOM 1139 C VAL A 670 182.451 2.907 1.461 1.00 0.00 C ATOM 1140 O VAL A 670 183.040 2.127 2.209 1.00 0.00 O ATOM 1141 CB VAL A 670 180.807 1.189 0.671 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.045 1.484 1.958 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.843 0.813 -0.443 1.00 0.00 C ATOM 0 H VAL A 670 182.954 1.099 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 670 181.022 3.181 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 670 181.470 0.345 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.441 0.618 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.753 1.699 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.395 2.346 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.238 -0.038 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.193 1.660 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.406 0.547 -1.337 1.00 0.00 H new ATOM 1153 N LEU A 671 182.442 4.222 1.647 1.00 0.00 N ATOM 1154 CA LEU A 671 183.142 4.835 2.770 1.00 0.00 C ATOM 1155 C LEU A 671 182.290 4.803 4.038 1.00 0.00 C ATOM 1156 O LEU A 671 182.701 5.306 5.083 1.00 0.00 O ATOM 1157 CB LEU A 671 183.521 6.282 2.437 1.00 0.00 C ATOM 1158 CG LEU A 671 184.205 6.494 1.081 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.145 5.341 0.757 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.166 6.667 -0.020 1.00 0.00 C ATOM 0 H LEU A 671 181.960 4.882 1.037 1.00 0.00 H new ATOM 0 HA LEU A 671 184.049 4.258 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.618 6.891 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.182 6.654 3.219 1.00 0.00 H new ATOM 0 HG LEU A 671 184.800 7.405 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.617 5.517 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 671 185.913 5.270 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.580 4.410 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.669 6.816 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.542 5.775 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.543 7.533 0.201 1.00 0.00 H new ATOM 1172 N GLU A 672 181.098 4.217 3.945 1.00 0.00 N ATOM 1173 CA GLU A 672 180.201 4.137 5.091 1.00 0.00 C ATOM 1174 C GLU A 672 179.396 2.841 5.080 1.00 0.00 C ATOM 1175 O GLU A 672 178.728 2.522 4.099 1.00 0.00 O ATOM 1176 CB GLU A 672 179.247 5.330 5.085 1.00 0.00 C ATOM 1177 CG GLU A 672 179.940 6.664 5.305 1.00 0.00 C ATOM 1178 CD GLU A 672 179.099 7.631 6.115 1.00 0.00 C ATOM 1179 OE1 GLU A 672 178.225 8.299 5.523 1.00 0.00 O ATOM 1180 OE2 GLU A 672 179.313 7.720 7.342 1.00 0.00 O ATOM 0 H GLU A 672 180.734 3.793 3.092 1.00 0.00 H new ATOM 0 HA GLU A 672 180.810 4.152 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.719 5.357 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.496 5.188 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 672 180.888 6.497 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 672 180.173 7.112 4.339 1.00 0.00 H new ATOM 1187 N TRP A 673 179.455 2.108 6.187 1.00 0.00 N ATOM 1188 CA TRP A 673 178.721 0.854 6.317 1.00 0.00 C ATOM 1189 C TRP A 673 177.949 0.828 7.631 1.00 0.00 C ATOM 1190 O TRP A 673 178.542 0.828 8.709 1.00 0.00 O ATOM 1191 CB TRP A 673 179.678 -0.336 6.252 1.00 0.00 C ATOM 1192 CG TRP A 673 178.981 -1.642 6.026 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.339 -2.404 6.959 1.00 0.00 C ATOM 1194 CD2 TRP A 673 178.853 -2.338 4.781 1.00 0.00 C ATOM 1195 NE1 TRP A 673 177.825 -3.535 6.372 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.128 -3.517 5.035 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.284 -2.080 3.478 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 177.825 -4.435 4.033 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 178.981 -2.991 2.485 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.258 -4.156 2.766 1.00 0.00 C ATOM 0 H TRP A 673 180.004 2.361 7.008 1.00 0.00 H new ATOM 0 HA TRP A 673 178.015 0.782 5.489 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.397 -0.172 5.450 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.244 -0.390 7.182 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.248 -2.154 8.006 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.303 -4.268 6.852 1.00 0.00 H new ATOM 0 HE3 TRP A 673 179.844 -1.185 3.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.268 -5.335 4.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.308 -2.801 1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.038 -4.848 1.967 1.00 0.00 H new ATOM 1211 N ASN A 674 176.625 0.812 7.536 1.00 0.00 N ATOM 1212 CA ASN A 674 175.774 0.793 8.723 1.00 0.00 C ATOM 1213 C ASN A 674 175.904 2.098 9.502 1.00 0.00 C ATOM 1214 O ASN A 674 175.890 2.105 10.732 1.00 0.00 O ATOM 1215 CB ASN A 674 176.133 -0.392 9.623 1.00 0.00 C ATOM 1216 CG ASN A 674 175.121 -0.602 10.732 1.00 0.00 C ATOM 1217 OD1 ASN A 674 174.007 -1.246 10.403 1.00 0.00 O flip ATOM 1218 ND2 ASN A 674 175.338 -0.190 11.871 1.00 0.00 N flip ATOM 0 H ASN A 674 176.117 0.812 6.652 1.00 0.00 H new ATOM 0 HA ASN A 674 174.740 0.685 8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.199 -1.297 9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.118 -0.228 10.060 1.00 0.00 H new ATOM 0 HD21 ASN A 674 176.208 0.300 12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 674 174.648 -0.338 12.607 1.00 0.00 H new ATOM 1225 N GLY A 675 176.021 3.201 8.770 1.00 0.00 N ATOM 1226 CA GLY A 675 176.140 4.506 9.397 1.00 0.00 C ATOM 1227 C GLY A 675 177.463 4.706 10.118 1.00 0.00 C ATOM 1228 O GLY A 675 177.587 5.605 10.950 1.00 0.00 O ATOM 0 H GLY A 675 176.036 3.215 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 675 176.028 5.279 8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.323 4.636 10.107 1.00 0.00 H new ATOM 1232 N LYS A 676 178.454 3.876 9.804 1.00 0.00 N ATOM 1233 CA LYS A 676 179.764 3.985 10.438 1.00 0.00 C ATOM 1234 C LYS A 676 180.808 4.462 9.442 1.00 0.00 C ATOM 1235 O LYS A 676 180.759 4.105 8.264 1.00 0.00 O ATOM 1236 CB LYS A 676 180.187 2.625 11.025 1.00 0.00 C ATOM 1237 CG LYS A 676 181.540 2.096 10.528 1.00 0.00 C ATOM 1238 CD LYS A 676 182.577 2.083 11.642 1.00 0.00 C ATOM 1239 CE LYS A 676 182.124 1.232 12.817 1.00 0.00 C ATOM 1240 NZ LYS A 676 183.275 0.732 13.617 1.00 0.00 N ATOM 0 H LYS A 676 178.376 3.125 9.118 1.00 0.00 H new ATOM 0 HA LYS A 676 179.691 4.716 11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.224 2.711 12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.418 1.890 10.790 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.415 1.087 10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 676 181.895 2.718 9.706 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.521 1.699 11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 676 182.762 3.103 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.465 1.818 13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 676 181.543 0.386 12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 183.075 -0.233 13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 184.131 0.725 13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 183.425 1.354 14.437 1.00 0.00 H new ATOM 1254 N PRO A 677 181.793 5.246 9.900 1.00 0.00 N ATOM 1255 CA PRO A 677 182.854 5.716 9.029 1.00 0.00 C ATOM 1256 C PRO A 677 183.918 4.640 8.841 1.00 0.00 C ATOM 1257 O PRO A 677 184.553 4.200 9.799 1.00 0.00 O ATOM 1258 CB PRO A 677 183.420 6.908 9.798 1.00 0.00 C ATOM 1259 CG PRO A 677 183.210 6.559 11.233 1.00 0.00 C ATOM 1260 CD PRO A 677 181.965 5.709 11.291 1.00 0.00 C ATOM 0 HA PRO A 677 182.509 5.971 8.027 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.477 7.058 9.576 1.00 0.00 H new ATOM 0 HB3 PRO A 677 182.905 7.832 9.534 1.00 0.00 H new ATOM 0 HG2 PRO A 677 184.068 6.017 11.630 1.00 0.00 H new ATOM 0 HG3 PRO A 677 183.094 7.458 11.838 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.083 4.873 11.980 1.00 0.00 H new ATOM 0 HD3 PRO A 677 181.103 6.283 11.631 1.00 0.00 H new ATOM 1268 N LEU A 678 184.098 4.225 7.600 1.00 0.00 N ATOM 1269 CA LEU A 678 185.074 3.196 7.257 1.00 0.00 C ATOM 1270 C LEU A 678 186.469 3.782 7.016 1.00 0.00 C ATOM 1271 O LEU A 678 187.466 3.174 7.405 1.00 0.00 O ATOM 1272 CB LEU A 678 184.611 2.424 6.021 1.00 0.00 C ATOM 1273 CG LEU A 678 183.226 1.783 6.142 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.822 1.136 4.826 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.205 0.763 7.274 1.00 0.00 C ATOM 0 H LEU A 678 183.576 4.587 6.802 1.00 0.00 H new ATOM 0 HA LEU A 678 185.145 2.518 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.608 3.102 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.339 1.642 5.805 1.00 0.00 H new ATOM 0 HG LEU A 678 182.503 2.565 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.835 0.685 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.795 1.893 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.547 0.366 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.212 0.318 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 678 183.939 -0.018 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.448 1.258 8.214 1.00 0.00 H new ATOM 1287 N PRO A 679 186.575 4.964 6.366 1.00 0.00 N ATOM 1288 CA PRO A 679 187.869 5.594 6.088 1.00 0.00 C ATOM 1289 C PRO A 679 188.848 5.468 7.252 1.00 0.00 C ATOM 1290 O PRO A 679 188.633 6.032 8.324 1.00 0.00 O ATOM 1291 CB PRO A 679 187.488 7.050 5.852 1.00 0.00 C ATOM 1292 CG PRO A 679 186.138 6.973 5.227 1.00 0.00 C ATOM 1293 CD PRO A 679 185.455 5.779 5.848 1.00 0.00 C ATOM 0 HA PRO A 679 188.386 5.128 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.464 7.613 6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.203 7.549 5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.571 7.885 5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.215 6.859 4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.774 6.077 6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.865 5.229 5.115 1.00 0.00 H new ATOM 1301 N GLY A 680 189.919 4.715 7.027 1.00 0.00 N ATOM 1302 CA GLY A 680 190.918 4.513 8.059 1.00 0.00 C ATOM 1303 C GLY A 680 190.910 3.096 8.602 1.00 0.00 C ATOM 1304 O GLY A 680 191.854 2.679 9.273 1.00 0.00 O ATOM 0 H GLY A 680 190.113 4.240 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 680 191.905 4.739 7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.740 5.213 8.875 1.00 0.00 H new ATOM 1308 N ALA A 681 189.845 2.353 8.312 1.00 0.00 N ATOM 1309 CA ALA A 681 189.722 0.977 8.775 1.00 0.00 C ATOM 1310 C ALA A 681 190.176 -0.004 7.700 1.00 0.00 C ATOM 1311 O ALA A 681 189.851 0.154 6.523 1.00 0.00 O ATOM 1312 CB ALA A 681 188.287 0.688 9.189 1.00 0.00 C ATOM 0 H ALA A 681 189.055 2.683 7.758 1.00 0.00 H new ATOM 0 HA ALA A 681 190.370 0.849 9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.208 -0.343 9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 681 187.998 1.362 9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.625 0.837 8.336 1.00 0.00 H new ATOM 1318 N THR A 682 190.927 -1.019 8.111 1.00 0.00 N ATOM 1319 CA THR A 682 191.425 -2.027 7.184 1.00 0.00 C ATOM 1320 C THR A 682 190.431 -3.179 7.050 1.00 0.00 C ATOM 1321 O THR A 682 189.300 -3.093 7.526 1.00 0.00 O ATOM 1322 CB THR A 682 192.787 -2.548 7.653 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.237 -3.611 6.832 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.777 -3.041 9.080 1.00 0.00 C ATOM 0 H THR A 682 191.205 -1.165 9.082 1.00 0.00 H new ATOM 0 HA THR A 682 191.544 -1.565 6.204 1.00 0.00 H new ATOM 0 HB THR A 682 193.458 -1.692 7.584 1.00 0.00 H new ATOM 0 HG1 THR A 682 194.109 -3.924 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.772 -3.396 9.349 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.490 -2.226 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 682 192.062 -3.857 9.178 1.00 0.00 H new ATOM 1332 N ASN A 683 190.859 -4.253 6.394 1.00 0.00 N ATOM 1333 CA ASN A 683 190.008 -5.421 6.190 1.00 0.00 C ATOM 1334 C ASN A 683 189.425 -5.926 7.508 1.00 0.00 C ATOM 1335 O ASN A 683 188.213 -6.107 7.631 1.00 0.00 O ATOM 1336 CB ASN A 683 190.799 -6.540 5.511 1.00 0.00 C ATOM 1337 CG ASN A 683 189.900 -7.561 4.843 1.00 0.00 C ATOM 1338 OD1 ASN A 683 189.068 -7.219 4.003 1.00 0.00 O ATOM 1339 ND2 ASN A 683 190.063 -8.827 5.214 1.00 0.00 N ATOM 0 H ASN A 683 191.793 -4.339 5.993 1.00 0.00 H new ATOM 0 HA ASN A 683 189.181 -5.119 5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 683 191.469 -6.108 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 683 191.424 -7.040 6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 683 189.486 -9.559 4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 683 190.765 -9.067 5.914 1.00 0.00 H new ATOM 1346 N GLU A 684 190.292 -6.157 8.487 1.00 0.00 N ATOM 1347 CA GLU A 684 189.857 -6.647 9.790 1.00 0.00 C ATOM 1348 C GLU A 684 188.901 -5.666 10.458 1.00 0.00 C ATOM 1349 O GLU A 684 187.992 -6.069 11.184 1.00 0.00 O ATOM 1350 CB GLU A 684 191.063 -6.905 10.696 1.00 0.00 C ATOM 1351 CG GLU A 684 191.811 -5.642 11.092 1.00 0.00 C ATOM 1352 CD GLU A 684 193.291 -5.885 11.311 1.00 0.00 C ATOM 1353 OE1 GLU A 684 193.644 -6.961 11.837 1.00 0.00 O ATOM 1354 OE2 GLU A 684 194.097 -4.999 10.957 1.00 0.00 O ATOM 0 H GLU A 684 191.298 -6.013 8.404 1.00 0.00 H new ATOM 0 HA GLU A 684 189.326 -7.586 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 684 190.726 -7.415 11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 684 191.751 -7.580 10.187 1.00 0.00 H new ATOM 0 HG2 GLU A 684 191.681 -4.889 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 684 191.374 -5.237 12.005 1.00 0.00 H new ATOM 1361 N GLU A 685 189.100 -4.378 10.202 1.00 0.00 N ATOM 1362 CA GLU A 685 188.238 -3.356 10.776 1.00 0.00 C ATOM 1363 C GLU A 685 186.831 -3.496 10.214 1.00 0.00 C ATOM 1364 O GLU A 685 185.882 -3.765 10.948 1.00 0.00 O ATOM 1365 CB GLU A 685 188.791 -1.962 10.481 1.00 0.00 C ATOM 1366 CG GLU A 685 190.065 -1.638 11.245 1.00 0.00 C ATOM 1367 CD GLU A 685 189.842 -1.553 12.741 1.00 0.00 C ATOM 1368 OE1 GLU A 685 189.492 -0.458 13.229 1.00 0.00 O ATOM 1369 OE2 GLU A 685 190.018 -2.582 13.428 1.00 0.00 O ATOM 0 H GLU A 685 189.846 -4.020 9.605 1.00 0.00 H new ATOM 0 HA GLU A 685 188.205 -3.489 11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 685 188.987 -1.877 9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 685 188.032 -1.220 10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 685 190.814 -2.402 11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 685 190.468 -0.691 10.887 1.00 0.00 H new ATOM 1376 N VAL A 686 186.712 -3.335 8.899 1.00 0.00 N ATOM 1377 CA VAL A 686 185.429 -3.465 8.223 1.00 0.00 C ATOM 1378 C VAL A 686 184.747 -4.774 8.616 1.00 0.00 C ATOM 1379 O VAL A 686 183.531 -4.821 8.808 1.00 0.00 O ATOM 1380 CB VAL A 686 185.603 -3.415 6.691 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.300 -3.755 5.983 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.111 -2.047 6.260 1.00 0.00 C ATOM 0 H VAL A 686 187.492 -3.114 8.281 1.00 0.00 H new ATOM 0 HA VAL A 686 184.805 -2.627 8.533 1.00 0.00 H new ATOM 0 HB VAL A 686 186.342 -4.164 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.450 -3.712 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 686 183.983 -4.759 6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.532 -3.038 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.229 -2.027 5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.396 -1.282 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.073 -1.851 6.733 1.00 0.00 H new ATOM 1392 N TYR A 687 185.544 -5.831 8.741 1.00 0.00 N ATOM 1393 CA TYR A 687 185.027 -7.143 9.120 1.00 0.00 C ATOM 1394 C TYR A 687 184.114 -7.034 10.335 1.00 0.00 C ATOM 1395 O TYR A 687 182.975 -7.496 10.313 1.00 0.00 O ATOM 1396 CB TYR A 687 186.183 -8.100 9.430 1.00 0.00 C ATOM 1397 CG TYR A 687 186.655 -8.910 8.242 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.640 -8.377 6.960 1.00 0.00 C ATOM 1399 CD2 TYR A 687 187.119 -10.210 8.405 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.073 -9.114 5.874 1.00 0.00 C ATOM 1401 CE2 TYR A 687 187.556 -10.952 7.325 1.00 0.00 C ATOM 1402 CZ TYR A 687 187.531 -10.401 6.062 1.00 0.00 C ATOM 1403 OH TYR A 687 187.965 -11.138 4.984 1.00 0.00 O ATOM 0 H TYR A 687 186.552 -5.805 8.585 1.00 0.00 H new ATOM 0 HA TYR A 687 184.450 -7.534 8.282 1.00 0.00 H new ATOM 0 HB2 TYR A 687 187.022 -7.524 9.819 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.872 -8.783 10.220 1.00 0.00 H new ATOM 0 HD1 TYR A 687 186.284 -7.369 6.809 1.00 0.00 H new ATOM 0 HD2 TYR A 687 187.138 -10.647 9.392 1.00 0.00 H new ATOM 0 HE1 TYR A 687 187.053 -8.684 4.883 1.00 0.00 H new ATOM 0 HE2 TYR A 687 187.916 -11.960 7.470 1.00 0.00 H new ATOM 0 HH TYR A 687 188.256 -12.023 5.288 1.00 0.00 H new ATOM 1413 N ASN A 688 184.628 -6.416 11.388 1.00 0.00 N ATOM 1414 CA ASN A 688 183.869 -6.239 12.621 1.00 0.00 C ATOM 1415 C ASN A 688 182.666 -5.327 12.395 1.00 0.00 C ATOM 1416 O ASN A 688 181.602 -5.532 12.978 1.00 0.00 O ATOM 1417 CB ASN A 688 184.765 -5.658 13.716 1.00 0.00 C ATOM 1418 CG ASN A 688 185.907 -6.586 14.080 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.689 -7.704 14.548 1.00 0.00 O ATOM 1420 ND2 ASN A 688 187.135 -6.127 13.867 1.00 0.00 N ATOM 0 H ASN A 688 185.570 -6.027 11.415 1.00 0.00 H new ATOM 0 HA ASN A 688 183.506 -7.217 12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.169 -4.702 13.382 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.166 -5.458 14.604 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.943 -6.707 14.093 1.00 0.00 H new ATOM 0 HD22 ASN A 688 187.270 -5.194 13.477 1.00 0.00 H new ATOM 1427 N ILE A 689 182.844 -4.321 11.546 1.00 0.00 N ATOM 1428 CA ILE A 689 181.775 -3.378 11.244 1.00 0.00 C ATOM 1429 C ILE A 689 180.623 -4.068 10.516 1.00 0.00 C ATOM 1430 O ILE A 689 179.516 -4.173 11.046 1.00 0.00 O ATOM 1431 CB ILE A 689 182.298 -2.198 10.388 1.00 0.00 C ATOM 1432 CG1 ILE A 689 183.077 -1.215 11.265 1.00 0.00 C ATOM 1433 CG2 ILE A 689 181.154 -1.479 9.681 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.573 -1.443 11.257 1.00 0.00 C ATOM 0 H ILE A 689 183.719 -4.138 11.055 1.00 0.00 H new ATOM 0 HA ILE A 689 181.409 -2.989 12.194 1.00 0.00 H new ATOM 0 HB ILE A 689 182.964 -2.603 9.626 1.00 0.00 H new ATOM 0 HG12 ILE A 689 182.872 -0.199 10.927 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.713 -1.289 12.290 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.553 -0.656 9.088 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.634 -2.179 9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.457 -1.088 10.422 1.00 0.00 H new ATOM 0 HD11 ILE A 689 185.056 -0.708 11.901 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.790 -2.446 11.624 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.951 -1.339 10.240 1.00 0.00 H new ATOM 1446 N ILE A 690 180.888 -4.527 9.298 1.00 0.00 N ATOM 1447 CA ILE A 690 179.874 -5.196 8.493 1.00 0.00 C ATOM 1448 C ILE A 690 179.240 -6.365 9.243 1.00 0.00 C ATOM 1449 O ILE A 690 178.025 -6.395 9.440 1.00 0.00 O ATOM 1450 CB ILE A 690 180.461 -5.697 7.159 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.047 -4.515 6.376 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.393 -6.420 6.345 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.250 -4.785 4.899 1.00 0.00 C ATOM 0 H ILE A 690 181.799 -4.447 8.846 1.00 0.00 H new ATOM 0 HA ILE A 690 179.100 -4.457 8.285 1.00 0.00 H new ATOM 0 HB ILE A 690 181.261 -6.408 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.386 -3.656 6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 690 182.005 -4.240 6.818 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.824 -6.767 5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 690 179.020 -7.274 6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.570 -5.736 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.667 -3.899 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 690 181.937 -5.622 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.292 -5.029 4.439 1.00 0.00 H new ATOM 1465 N LEU A 691 180.062 -7.328 9.655 1.00 0.00 N ATOM 1466 CA LEU A 691 179.565 -8.498 10.383 1.00 0.00 C ATOM 1467 C LEU A 691 178.586 -8.094 11.479 1.00 0.00 C ATOM 1468 O LEU A 691 177.478 -8.622 11.567 1.00 0.00 O ATOM 1469 CB LEU A 691 180.729 -9.283 10.988 1.00 0.00 C ATOM 1470 CG LEU A 691 181.460 -10.218 10.019 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.507 -9.624 8.618 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.866 -10.506 10.523 1.00 0.00 C ATOM 0 H LEU A 691 181.070 -7.324 9.499 1.00 0.00 H new ATOM 0 HA LEU A 691 179.037 -9.132 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.450 -8.575 11.398 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.353 -9.874 11.823 1.00 0.00 H new ATOM 0 HG LEU A 691 180.907 -11.156 9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 691 182.031 -10.308 7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.491 -9.469 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 691 182.032 -8.669 8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.374 -11.171 9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.422 -9.572 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.811 -10.981 11.502 1.00 0.00 H new ATOM 1484 N GLU A 692 179.003 -7.149 12.308 1.00 0.00 N ATOM 1485 CA GLU A 692 178.165 -6.664 13.400 1.00 0.00 C ATOM 1486 C GLU A 692 176.828 -6.149 12.870 1.00 0.00 C ATOM 1487 O GLU A 692 175.826 -6.145 13.584 1.00 0.00 O ATOM 1488 CB GLU A 692 178.883 -5.553 14.168 1.00 0.00 C ATOM 1489 CG GLU A 692 179.789 -6.068 15.275 1.00 0.00 C ATOM 1490 CD GLU A 692 180.118 -5.002 16.301 1.00 0.00 C ATOM 1491 OE1 GLU A 692 181.059 -4.216 16.060 1.00 0.00 O ATOM 1492 OE2 GLU A 692 179.435 -4.952 17.345 1.00 0.00 O ATOM 0 H GLU A 692 179.917 -6.701 12.247 1.00 0.00 H new ATOM 0 HA GLU A 692 177.973 -7.497 14.076 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.476 -4.964 13.469 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.140 -4.882 14.600 1.00 0.00 H new ATOM 0 HG2 GLU A 692 179.307 -6.909 15.772 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.714 -6.444 14.837 1.00 0.00 H new ATOM 1499 N SER A 693 176.823 -5.715 11.613 1.00 0.00 N ATOM 1500 CA SER A 693 175.612 -5.195 10.985 1.00 0.00 C ATOM 1501 C SER A 693 174.878 -6.281 10.198 1.00 0.00 C ATOM 1502 O SER A 693 173.726 -6.099 9.805 1.00 0.00 O ATOM 1503 CB SER A 693 175.956 -4.026 10.061 1.00 0.00 C ATOM 1504 OG SER A 693 174.852 -3.684 9.239 1.00 0.00 O ATOM 0 H SER A 693 177.645 -5.713 11.009 1.00 0.00 H new ATOM 0 HA SER A 693 174.950 -4.847 11.778 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.251 -3.162 10.657 1.00 0.00 H new ATOM 0 HB3 SER A 693 176.810 -4.290 9.437 1.00 0.00 H new ATOM 0 HG SER A 693 174.473 -2.831 9.539 1.00 0.00 H new ATOM 1510 N LYS A 694 175.546 -7.411 9.970 1.00 0.00 N ATOM 1511 CA LYS A 694 174.941 -8.514 9.231 1.00 0.00 C ATOM 1512 C LYS A 694 173.728 -9.070 9.973 1.00 0.00 C ATOM 1513 O LYS A 694 172.864 -9.709 9.373 1.00 0.00 O ATOM 1514 CB LYS A 694 175.965 -9.629 9.003 1.00 0.00 C ATOM 1515 CG LYS A 694 176.870 -9.388 7.804 1.00 0.00 C ATOM 1516 CD LYS A 694 177.163 -10.680 7.058 1.00 0.00 C ATOM 1517 CE LYS A 694 178.628 -10.779 6.667 1.00 0.00 C ATOM 1518 NZ LYS A 694 178.923 -12.040 5.931 1.00 0.00 N ATOM 0 H LYS A 694 176.500 -7.585 10.285 1.00 0.00 H new ATOM 0 HA LYS A 694 174.610 -8.129 8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 694 176.580 -9.734 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 694 175.438 -10.573 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 694 176.398 -8.675 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 694 177.806 -8.939 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 694 176.894 -11.531 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 694 176.542 -10.733 6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 694 178.896 -9.925 6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 694 179.247 -10.728 7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 179.951 -12.134 5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 178.567 -12.851 6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 178.458 -12.016 5.001 1.00 0.00 H new ATOM 1532 N SER A 695 173.671 -8.827 11.280 1.00 0.00 N ATOM 1533 CA SER A 695 172.565 -9.309 12.100 1.00 0.00 C ATOM 1534 C SER A 695 171.353 -8.388 11.988 1.00 0.00 C ATOM 1535 O SER A 695 170.216 -8.819 12.182 1.00 0.00 O ATOM 1536 CB SER A 695 173.000 -9.419 13.562 1.00 0.00 C ATOM 1537 OG SER A 695 172.180 -10.332 14.271 1.00 0.00 O ATOM 0 H SER A 695 174.378 -8.300 11.793 1.00 0.00 H new ATOM 0 HA SER A 695 172.281 -10.295 11.733 1.00 0.00 H new ATOM 0 HB2 SER A 695 174.039 -9.744 13.612 1.00 0.00 H new ATOM 0 HB3 SER A 695 172.950 -8.438 14.034 1.00 0.00 H new ATOM 0 HG SER A 695 172.480 -10.385 15.203 1.00 0.00 H new ATOM 1543 N GLU A 696 171.599 -7.118 11.678 1.00 0.00 N ATOM 1544 CA GLU A 696 170.521 -6.144 11.547 1.00 0.00 C ATOM 1545 C GLU A 696 169.704 -6.402 10.282 1.00 0.00 C ATOM 1546 O GLU A 696 170.255 -6.766 9.244 1.00 0.00 O ATOM 1547 CB GLU A 696 171.089 -4.724 11.520 1.00 0.00 C ATOM 1548 CG GLU A 696 171.625 -4.258 12.865 1.00 0.00 C ATOM 1549 CD GLU A 696 170.587 -4.341 13.966 1.00 0.00 C ATOM 1550 OE1 GLU A 696 169.629 -3.540 13.940 1.00 0.00 O ATOM 1551 OE2 GLU A 696 170.733 -5.205 14.856 1.00 0.00 O ATOM 0 H GLU A 696 172.532 -6.741 11.513 1.00 0.00 H new ATOM 0 HA GLU A 696 169.864 -6.249 12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 696 171.890 -4.676 10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.310 -4.036 11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 696 172.488 -4.865 13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 696 171.974 -3.229 12.776 1.00 0.00 H new ATOM 1558 N PRO A 697 168.374 -6.215 10.354 1.00 0.00 N ATOM 1559 CA PRO A 697 167.485 -6.429 9.209 1.00 0.00 C ATOM 1560 C PRO A 697 167.579 -5.308 8.175 1.00 0.00 C ATOM 1561 O PRO A 697 166.963 -5.382 7.113 1.00 0.00 O ATOM 1562 CB PRO A 697 166.097 -6.452 9.846 1.00 0.00 C ATOM 1563 CG PRO A 697 166.226 -5.588 11.052 1.00 0.00 C ATOM 1564 CD PRO A 697 167.633 -5.781 11.555 1.00 0.00 C ATOM 0 HA PRO A 697 167.738 -7.337 8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.340 -6.068 9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.800 -7.466 10.114 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.040 -4.543 10.804 1.00 0.00 H new ATOM 0 HG3 PRO A 697 165.498 -5.869 11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 697 168.042 -4.858 11.967 1.00 0.00 H new ATOM 0 HD3 PRO A 697 167.677 -6.530 12.346 1.00 0.00 H new ATOM 1572 N GLN A 698 168.351 -4.272 8.492 1.00 0.00 N ATOM 1573 CA GLN A 698 168.515 -3.142 7.586 1.00 0.00 C ATOM 1574 C GLN A 698 169.943 -2.605 7.636 1.00 0.00 C ATOM 1575 O GLN A 698 170.645 -2.774 8.633 1.00 0.00 O ATOM 1576 CB GLN A 698 167.528 -2.028 7.941 1.00 0.00 C ATOM 1577 CG GLN A 698 167.481 -0.906 6.917 1.00 0.00 C ATOM 1578 CD GLN A 698 166.167 -0.150 6.940 1.00 0.00 C ATOM 1579 OE1 GLN A 698 165.100 -0.743 7.089 1.00 0.00 O ATOM 1580 NE2 GLN A 698 166.239 1.168 6.791 1.00 0.00 N ATOM 0 H GLN A 698 168.870 -4.193 9.366 1.00 0.00 H new ATOM 0 HA GLN A 698 168.312 -3.490 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.531 -2.457 8.044 1.00 0.00 H new ATOM 0 HB3 GLN A 698 167.797 -1.611 8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.299 -0.211 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 698 167.640 -1.321 5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 698 167.146 1.619 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 698 165.387 1.729 6.797 1.00 0.00 H new ATOM 1589 N VAL A 699 170.367 -1.965 6.552 1.00 0.00 N ATOM 1590 CA VAL A 699 171.713 -1.410 6.469 1.00 0.00 C ATOM 1591 C VAL A 699 171.728 -0.104 5.680 1.00 0.00 C ATOM 1592 O VAL A 699 170.903 0.113 4.792 1.00 0.00 O ATOM 1593 CB VAL A 699 172.688 -2.410 5.809 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.032 -1.754 5.511 1.00 0.00 C ATOM 1595 CG2 VAL A 699 172.872 -3.634 6.693 1.00 0.00 C ATOM 0 H VAL A 699 169.798 -1.818 5.718 1.00 0.00 H new ATOM 0 HA VAL A 699 172.038 -1.212 7.491 1.00 0.00 H new ATOM 0 HB VAL A 699 172.255 -2.728 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.697 -2.482 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 699 173.884 -0.914 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.476 -1.397 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.562 -4.329 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.277 -3.328 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 699 171.909 -4.123 6.842 1.00 0.00 H new ATOM 1605 N GLU A 700 172.690 0.752 6.005 1.00 0.00 N ATOM 1606 CA GLU A 700 172.850 2.033 5.330 1.00 0.00 C ATOM 1607 C GLU A 700 174.296 2.199 4.879 1.00 0.00 C ATOM 1608 O GLU A 700 175.196 2.354 5.704 1.00 0.00 O ATOM 1609 CB GLU A 700 172.451 3.182 6.259 1.00 0.00 C ATOM 1610 CG GLU A 700 172.617 4.558 5.635 1.00 0.00 C ATOM 1611 CD GLU A 700 172.760 5.655 6.672 1.00 0.00 C ATOM 1612 OE1 GLU A 700 171.724 6.119 7.192 1.00 0.00 O ATOM 1613 OE2 GLU A 700 173.908 6.050 6.964 1.00 0.00 O ATOM 0 H GLU A 700 173.377 0.579 6.739 1.00 0.00 H new ATOM 0 HA GLU A 700 172.198 2.055 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.411 3.051 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.052 3.129 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.495 4.557 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 700 171.756 4.772 5.002 1.00 0.00 H new ATOM 1620 N ILE A 701 174.521 2.148 3.570 1.00 0.00 N ATOM 1621 CA ILE A 701 175.869 2.276 3.030 1.00 0.00 C ATOM 1622 C ILE A 701 175.989 3.459 2.081 1.00 0.00 C ATOM 1623 O ILE A 701 175.087 3.736 1.290 1.00 0.00 O ATOM 1624 CB ILE A 701 176.312 0.994 2.293 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.120 0.334 1.590 1.00 0.00 C ATOM 1626 CG2 ILE A 701 176.969 0.030 3.272 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.451 -0.995 0.942 1.00 0.00 C ATOM 0 H ILE A 701 173.792 2.020 2.868 1.00 0.00 H new ATOM 0 HA ILE A 701 176.524 2.441 3.886 1.00 0.00 H new ATOM 0 HB ILE A 701 177.042 1.263 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.320 0.185 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.738 1.014 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.278 -0.871 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.842 0.505 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.258 -0.235 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.558 -1.400 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.229 -0.850 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.804 -1.692 1.702 1.00 0.00 H new ATOM 1639 N ILE A 702 177.118 4.151 2.170 1.00 0.00 N ATOM 1640 CA ILE A 702 177.382 5.308 1.326 1.00 0.00 C ATOM 1641 C ILE A 702 178.597 5.055 0.443 1.00 0.00 C ATOM 1642 O ILE A 702 179.536 4.376 0.853 1.00 0.00 O ATOM 1643 CB ILE A 702 177.618 6.575 2.172 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.625 6.636 3.339 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.508 7.823 1.309 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.176 6.496 2.918 1.00 0.00 C ATOM 0 H ILE A 702 177.869 3.929 2.823 1.00 0.00 H new ATOM 0 HA ILE A 702 176.504 5.466 0.700 1.00 0.00 H new ATOM 0 HB ILE A 702 178.627 6.531 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.865 5.845 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.752 7.584 3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.678 8.707 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.255 7.784 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.513 7.874 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.535 6.549 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.917 7.302 2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.032 5.536 2.422 1.00 0.00 H new ATOM 1658 N VAL A 703 178.576 5.597 -0.769 1.00 0.00 N ATOM 1659 CA VAL A 703 179.684 5.412 -1.699 1.00 0.00 C ATOM 1660 C VAL A 703 180.176 6.738 -2.261 1.00 0.00 C ATOM 1661 O VAL A 703 179.642 7.801 -1.943 1.00 0.00 O ATOM 1662 CB VAL A 703 179.287 4.493 -2.866 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.187 3.050 -2.400 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.978 4.954 -3.489 1.00 0.00 C ATOM 0 H VAL A 703 177.809 6.165 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 703 180.490 4.948 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 703 180.064 4.550 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.905 2.415 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.151 2.726 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.433 2.972 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.714 4.291 -4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.189 4.931 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.092 5.971 -3.864 1.00 0.00 H new ATOM 1674 N SER A 704 181.201 6.662 -3.103 1.00 0.00 N ATOM 1675 CA SER A 704 181.778 7.850 -3.719 1.00 0.00 C ATOM 1676 C SER A 704 182.225 7.556 -5.147 1.00 0.00 C ATOM 1677 O SER A 704 183.074 6.695 -5.378 1.00 0.00 O ATOM 1678 CB SER A 704 182.963 8.353 -2.892 1.00 0.00 C ATOM 1679 OG SER A 704 183.809 9.189 -3.663 1.00 0.00 O ATOM 0 H SER A 704 181.650 5.787 -3.375 1.00 0.00 H new ATOM 0 HA SER A 704 181.012 8.625 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 704 182.597 8.902 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 704 183.533 7.504 -2.514 1.00 0.00 H new ATOM 0 HG SER A 704 184.557 9.497 -3.110 1.00 0.00 H new ATOM 1741 N GLY B 945 186.059 -9.942 0.909 1.00 0.00 N ATOM 1742 CA GLY B 945 186.319 -9.701 2.315 1.00 0.00 C ATOM 1743 C GLY B 945 185.100 -9.943 3.185 1.00 0.00 C ATOM 1744 O GLY B 945 185.203 -10.544 4.255 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.131 -10.348 2.646 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.656 -8.673 2.447 1.00 0.00 H new ATOM 1748 N ILE B 946 183.943 -9.471 2.732 1.00 0.00 N ATOM 1749 CA ILE B 946 182.703 -9.638 3.481 1.00 0.00 C ATOM 1750 C ILE B 946 181.537 -9.924 2.549 1.00 0.00 C ATOM 1751 O ILE B 946 181.466 -9.391 1.442 1.00 0.00 O ATOM 1752 CB ILE B 946 182.352 -8.388 4.329 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.414 -7.292 4.169 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.187 -8.774 5.794 1.00 0.00 C ATOM 1755 CD1 ILE B 946 184.642 -7.511 5.019 1.00 0.00 C ATOM 0 H ILE B 946 183.838 -8.970 1.850 1.00 0.00 H new ATOM 0 HA ILE B 946 182.868 -10.483 4.150 1.00 0.00 H new ATOM 0 HB ILE B 946 181.406 -7.985 3.967 1.00 0.00 H new ATOM 0 HG12 ILE B 946 183.712 -7.237 3.122 1.00 0.00 H new ATOM 0 HG13 ILE B 946 182.972 -6.329 4.425 1.00 0.00 H new ATOM 0 HG21 ILE B 946 181.941 -7.887 6.378 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.385 -9.506 5.889 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.117 -9.205 6.164 1.00 0.00 H new ATOM 0 HD11 ILE B 946 185.349 -6.698 4.854 1.00 0.00 H new ATOM 0 HD12 ILE B 946 184.357 -7.536 6.071 1.00 0.00 H new ATOM 0 HD13 ILE B 946 185.109 -8.458 4.747 1.00 0.00 H new ATOM 1767 N TRP B 947 180.614 -10.753 3.014 1.00 0.00 N ATOM 1768 CA TRP B 947 179.439 -11.090 2.233 1.00 0.00 C ATOM 1769 C TRP B 947 178.287 -10.170 2.605 1.00 0.00 C ATOM 1770 O TRP B 947 177.891 -10.093 3.769 1.00 0.00 O ATOM 1771 CB TRP B 947 179.047 -12.556 2.437 1.00 0.00 C ATOM 1772 CG TRP B 947 179.259 -13.389 1.208 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.961 -14.556 1.115 1.00 0.00 C ATOM 1774 CD2 TRP B 947 178.770 -13.110 -0.110 1.00 0.00 C ATOM 1775 NE1 TRP B 947 179.938 -15.019 -0.179 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.213 -14.148 -0.950 1.00 0.00 C ATOM 1777 CE3 TRP B 947 177.998 -12.081 -0.659 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 178.909 -14.185 -2.311 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 177.697 -12.120 -2.008 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.153 -13.165 -2.820 1.00 0.00 C ATOM 0 H TRP B 947 180.658 -11.203 3.928 1.00 0.00 H new ATOM 0 HA TRP B 947 179.674 -10.952 1.178 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.630 -12.973 3.258 1.00 0.00 H new ATOM 0 HB3 TRP B 947 177.999 -12.610 2.731 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.461 -15.044 1.938 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.387 -15.872 -0.511 1.00 0.00 H new ATOM 0 HE3 TRP B 947 177.643 -11.270 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.258 -14.990 -2.940 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.100 -11.331 -2.442 1.00 0.00 H new ATOM 0 HH2 TRP B 947 177.903 -13.166 -3.871 1.00 0.00 H new ATOM 1791 N ALA B 948 177.761 -9.463 1.613 1.00 0.00 N ATOM 1792 CA ALA B 948 176.661 -8.541 1.836 1.00 0.00 C ATOM 1793 C ALA B 948 175.778 -8.440 0.598 1.00 0.00 C ATOM 1794 O ALA B 948 175.343 -9.493 0.091 1.00 0.00 O ATOM 1795 CB ALA B 948 177.203 -7.172 2.220 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.537 -7.306 0.135 1.00 0.00 O ATOM 0 H ALA B 948 178.081 -9.512 0.646 1.00 0.00 H new ATOM 0 HA ALA B 948 176.049 -8.921 2.654 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.373 -6.485 2.386 1.00 0.00 H new ATOM 0 HB2 ALA B 948 177.792 -7.257 3.133 1.00 0.00 H new ATOM 0 HB3 ALA B 948 177.833 -6.792 1.416 1.00 0.00 H new