USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 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 72:sc= -0.531 USER MOD Set 1.2: A 683 ASN : amide:sc= -0.898 X(o=-1.4,f=-1.7) USER MOD Set 2.1: A 674 ASN : amide:sc= -1.59 K(o=-1,f=-0.26) USER MOD Set 2.2: A 693 SER OG : rot 77:sc= 0.566 USER MOD Set 3.1: A 617 ASN : amide:sc= -2.46 K(o=-5.2,f=-8.9!) USER MOD Set 3.2: A 698 GLN : amide:sc= -2.71! X(o=-5.2!,f=-5.1) USER MOD Single : A 618 LYS NZ :NH3+ -139:sc= -4.17 (180deg=-6.92!) USER MOD Single : A 633 LYS NZ :NH3+ -126:sc= 0.717 (180deg=-0.137) USER MOD Single : A 638 LYS NZ :NH3+ -171:sc= -0.109 (180deg=-0.177) USER MOD Single : A 650 THR OG1 : rot 130:sc= -2.17 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 -159:sc= -2.2 USER MOD Single : A 663 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 676 LYS NZ :NH3+ 145:sc= -0.111 (180deg=-0.508) USER MOD Single : A 687 TYR OH : rot 180:sc= -0.066 USER MOD Single : A 688 ASN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (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 612 176.279 9.543 -2.561 1.00 0.00 N ATOM 248 CA GLY A 612 174.914 9.080 -2.398 1.00 0.00 C ATOM 249 C GLY A 612 174.739 8.207 -1.174 1.00 0.00 C ATOM 250 O GLY A 612 175.707 7.649 -0.658 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.249 9.940 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.615 8.521 -3.285 1.00 0.00 H new ATOM 254 N ARG A 613 173.499 8.079 -0.715 1.00 0.00 N ATOM 255 CA ARG A 613 173.199 7.257 0.451 1.00 0.00 C ATOM 256 C ARG A 613 172.400 6.027 0.041 1.00 0.00 C ATOM 257 O ARG A 613 171.325 6.147 -0.547 1.00 0.00 O ATOM 258 CB ARG A 613 172.422 8.068 1.492 1.00 0.00 C ATOM 259 CG ARG A 613 171.226 8.808 0.917 1.00 0.00 C ATOM 260 CD ARG A 613 170.146 9.021 1.965 1.00 0.00 C ATOM 261 NE ARG A 613 170.619 9.838 3.081 1.00 0.00 N ATOM 262 CZ ARG A 613 169.940 10.010 4.213 1.00 0.00 C ATOM 263 NH1 ARG A 613 168.759 9.428 4.383 1.00 0.00 N ATOM 264 NH2 ARG A 613 170.442 10.768 5.178 1.00 0.00 N ATOM 0 H ARG A 613 172.687 8.533 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 613 174.140 6.931 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 613 172.079 7.398 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 613 173.096 8.788 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 613 171.548 9.772 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 613 170.816 8.243 0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 613 169.283 9.502 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 613 169.809 8.055 2.340 1.00 0.00 H new ATOM 0 HE ARG A 613 171.522 10.303 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 613 168.367 8.845 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 613 168.244 9.564 5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 613 171.348 11.219 5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 613 169.922 10.900 6.045 1.00 0.00 H new ATOM 278 N VAL A 614 172.931 4.845 0.336 1.00 0.00 N ATOM 279 CA VAL A 614 172.260 3.609 -0.027 1.00 0.00 C ATOM 280 C VAL A 614 171.872 2.800 1.200 1.00 0.00 C ATOM 281 O VAL A 614 172.705 2.517 2.057 1.00 0.00 O ATOM 282 CB VAL A 614 173.146 2.740 -0.941 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.399 1.492 -1.387 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.623 3.542 -2.143 1.00 0.00 C ATOM 0 H VAL A 614 173.819 4.720 0.823 1.00 0.00 H new ATOM 0 HA VAL A 614 171.355 3.893 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 614 174.021 2.426 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.043 0.893 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.115 0.906 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.503 1.781 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.247 2.912 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.762 3.890 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.202 4.400 -1.801 1.00 0.00 H new ATOM 294 N ILE A 615 170.605 2.416 1.271 1.00 0.00 N ATOM 295 CA ILE A 615 170.113 1.624 2.387 1.00 0.00 C ATOM 296 C ILE A 615 169.710 0.234 1.912 1.00 0.00 C ATOM 297 O ILE A 615 168.871 0.090 1.023 1.00 0.00 O ATOM 298 CB ILE A 615 168.910 2.296 3.077 1.00 0.00 C ATOM 299 CG1 ILE A 615 169.263 3.728 3.478 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.477 1.491 4.294 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.060 4.731 2.366 1.00 0.00 C ATOM 0 H ILE A 615 169.900 2.641 0.569 1.00 0.00 H new ATOM 0 HA ILE A 615 170.924 1.546 3.111 1.00 0.00 H new ATOM 0 HB ILE A 615 168.078 2.328 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.654 4.018 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 615 170.303 3.761 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.626 1.979 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.191 0.486 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.303 1.430 5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 615 169.330 5.726 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.689 4.465 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 615 168.014 4.726 2.058 1.00 0.00 H new ATOM 313 N LEU A 616 170.313 -0.789 2.507 1.00 0.00 N ATOM 314 CA LEU A 616 170.014 -2.165 2.135 1.00 0.00 C ATOM 315 C LEU A 616 169.438 -2.936 3.316 1.00 0.00 C ATOM 316 O LEU A 616 169.783 -2.678 4.469 1.00 0.00 O ATOM 317 CB LEU A 616 171.272 -2.860 1.610 1.00 0.00 C ATOM 318 CG LEU A 616 171.377 -2.929 0.085 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.695 -3.556 -0.343 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.207 -3.709 -0.489 1.00 0.00 C ATOM 0 H LEU A 616 171.009 -0.691 3.246 1.00 0.00 H new ATOM 0 HA LEU A 616 169.266 -2.147 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.147 -2.338 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.303 -3.874 2.009 1.00 0.00 H new ATOM 0 HG LEU A 616 171.345 -1.912 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.744 -3.593 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.523 -2.958 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.764 -4.567 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.295 -3.750 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.212 -4.722 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.273 -3.216 -0.219 1.00 0.00 H new ATOM 332 N ASN A 617 168.556 -3.883 3.019 1.00 0.00 N ATOM 333 CA ASN A 617 167.927 -4.693 4.053 1.00 0.00 C ATOM 334 C ASN A 617 168.106 -6.177 3.759 1.00 0.00 C ATOM 335 O ASN A 617 167.653 -6.672 2.727 1.00 0.00 O ATOM 336 CB ASN A 617 166.438 -4.355 4.149 1.00 0.00 C ATOM 337 CG ASN A 617 165.749 -5.083 5.287 1.00 0.00 C ATOM 338 OD1 ASN A 617 166.102 -6.215 5.621 1.00 0.00 O ATOM 339 ND2 ASN A 617 164.758 -4.436 5.888 1.00 0.00 N ATOM 0 H ASN A 617 168.260 -4.108 2.069 1.00 0.00 H new ATOM 0 HA ASN A 617 168.408 -4.470 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.321 -3.280 4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 617 165.949 -4.612 3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 617 164.256 -4.876 6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 617 164.499 -3.499 5.579 1.00 0.00 H new ATOM 346 N LYS A 618 168.763 -6.885 4.671 1.00 0.00 N ATOM 347 CA LYS A 618 168.993 -8.315 4.502 1.00 0.00 C ATOM 348 C LYS A 618 167.837 -9.120 5.086 1.00 0.00 C ATOM 349 O LYS A 618 167.512 -10.202 4.596 1.00 0.00 O ATOM 350 CB LYS A 618 170.315 -8.741 5.156 1.00 0.00 C ATOM 351 CG LYS A 618 170.674 -7.953 6.408 1.00 0.00 C ATOM 352 CD LYS A 618 171.769 -8.642 7.210 1.00 0.00 C ATOM 353 CE LYS A 618 173.022 -8.863 6.378 1.00 0.00 C ATOM 354 NZ LYS A 618 172.886 -10.032 5.466 1.00 0.00 N ATOM 0 H LYS A 618 169.145 -6.494 5.532 1.00 0.00 H new ATOM 0 HA LYS A 618 169.056 -8.518 3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.257 -9.799 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 618 171.119 -8.632 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.003 -6.953 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 618 169.787 -7.834 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 618 172.014 -8.038 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 618 171.402 -9.601 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 618 173.231 -7.968 5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.874 -9.017 7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 173.775 -10.571 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 172.113 -10.644 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 172.674 -9.699 4.504 1.00 0.00 H new ATOM 516 N LEU A 629 172.778 -12.370 1.636 1.00 0.00 N ATOM 517 CA LEU A 629 172.943 -11.238 2.542 1.00 0.00 C ATOM 518 C LEU A 629 172.030 -10.075 2.138 1.00 0.00 C ATOM 519 O LEU A 629 170.905 -9.971 2.627 1.00 0.00 O ATOM 520 CB LEU A 629 174.409 -10.785 2.600 1.00 0.00 C ATOM 521 CG LEU A 629 175.461 -11.861 2.306 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.252 -13.087 3.175 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.464 -12.239 0.832 1.00 0.00 C ATOM 0 HA LEU A 629 172.653 -11.566 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.544 -9.970 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.603 -10.378 3.592 1.00 0.00 H new ATOM 0 HG LEU A 629 176.437 -11.440 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 629 176.013 -13.832 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.328 -12.806 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.264 -13.506 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.220 -13.004 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.484 -12.626 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.690 -11.358 0.231 1.00 0.00 H new ATOM 535 N LEU A 630 172.499 -9.209 1.236 1.00 0.00 N ATOM 536 CA LEU A 630 171.689 -8.079 0.780 1.00 0.00 C ATOM 537 C LEU A 630 171.693 -7.975 -0.745 1.00 0.00 C ATOM 538 O LEU A 630 170.648 -7.733 -1.350 1.00 0.00 O ATOM 539 CB LEU A 630 172.141 -6.750 1.407 1.00 0.00 C ATOM 540 CG LEU A 630 173.531 -6.740 2.045 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.022 -5.313 2.231 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.518 -7.475 3.372 1.00 0.00 C ATOM 0 H LEU A 630 173.425 -9.268 0.812 1.00 0.00 H new ATOM 0 HA LEU A 630 170.669 -8.271 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 630 172.113 -5.981 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.414 -6.465 2.167 1.00 0.00 H new ATOM 0 HG LEU A 630 174.218 -7.257 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.012 -5.325 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 630 174.074 -4.817 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.332 -4.772 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.517 -7.456 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 630 172.816 -6.989 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.212 -8.509 3.212 1.00 0.00 H new ATOM 554 N GLY A 631 172.855 -8.170 -1.377 1.00 0.00 N ATOM 555 CA GLY A 631 172.904 -8.100 -2.831 1.00 0.00 C ATOM 556 C GLY A 631 174.257 -7.713 -3.416 1.00 0.00 C ATOM 557 O GLY A 631 174.360 -7.502 -4.626 1.00 0.00 O ATOM 0 H GLY A 631 173.744 -8.371 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.615 -9.070 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.160 -7.379 -3.170 1.00 0.00 H new ATOM 561 N LEU A 632 175.297 -7.617 -2.591 1.00 0.00 N ATOM 562 CA LEU A 632 176.620 -7.251 -3.099 1.00 0.00 C ATOM 563 C LEU A 632 177.739 -7.651 -2.133 1.00 0.00 C ATOM 564 O LEU A 632 177.563 -7.642 -0.920 1.00 0.00 O ATOM 565 CB LEU A 632 176.670 -5.744 -3.400 1.00 0.00 C ATOM 566 CG LEU A 632 177.285 -4.853 -2.313 1.00 0.00 C ATOM 567 CD1 LEU A 632 177.095 -3.387 -2.661 1.00 0.00 C ATOM 568 CD2 LEU A 632 176.677 -5.150 -0.953 1.00 0.00 C ATOM 0 H LEU A 632 175.254 -7.784 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 632 176.786 -7.805 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.234 -5.598 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.654 -5.399 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 632 178.352 -5.071 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 632 177.537 -2.768 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 632 177.581 -3.173 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 632 176.030 -3.167 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 632 177.132 -4.504 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 632 175.603 -4.967 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 632 176.859 -6.193 -0.693 1.00 0.00 H new ATOM 580 N LYS A 633 178.900 -7.981 -2.685 1.00 0.00 N ATOM 581 CA LYS A 633 180.048 -8.361 -1.868 1.00 0.00 C ATOM 582 C LYS A 633 181.022 -7.194 -1.770 1.00 0.00 C ATOM 583 O LYS A 633 181.393 -6.605 -2.783 1.00 0.00 O ATOM 584 CB LYS A 633 180.748 -9.585 -2.462 1.00 0.00 C ATOM 585 CG LYS A 633 181.567 -10.366 -1.448 1.00 0.00 C ATOM 586 CD LYS A 633 182.665 -11.176 -2.117 1.00 0.00 C ATOM 587 CE LYS A 633 182.095 -12.199 -3.088 1.00 0.00 C ATOM 588 NZ LYS A 633 182.558 -13.579 -2.776 1.00 0.00 N ATOM 0 H LYS A 633 179.072 -7.994 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 633 179.697 -8.617 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 633 179.999 -10.246 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.401 -9.262 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 633 182.010 -9.677 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 633 180.912 -11.033 -0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 633 183.340 -10.505 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 633 183.256 -11.686 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 633 181.006 -12.165 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 633 182.390 -11.938 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 182.988 -14.001 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 183.262 -13.544 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 181.748 -14.157 -2.474 1.00 0.00 H new ATOM 602 N VAL A 634 181.421 -6.851 -0.551 1.00 0.00 N ATOM 603 CA VAL A 634 182.335 -5.738 -0.343 1.00 0.00 C ATOM 604 C VAL A 634 183.679 -6.201 0.197 1.00 0.00 C ATOM 605 O VAL A 634 183.789 -7.254 0.818 1.00 0.00 O ATOM 606 CB VAL A 634 181.738 -4.690 0.624 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.834 -3.866 1.296 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.773 -3.785 -0.119 1.00 0.00 C ATOM 0 H VAL A 634 181.127 -7.325 0.303 1.00 0.00 H new ATOM 0 HA VAL A 634 182.487 -5.281 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 634 181.196 -5.221 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.381 -3.138 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.490 -4.527 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.415 -3.344 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.358 -3.051 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.301 -3.271 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 634 179.965 -4.383 -0.541 1.00 0.00 H new ATOM 618 N VAL A 635 184.692 -5.386 -0.049 1.00 0.00 N ATOM 619 CA VAL A 635 186.037 -5.675 0.403 1.00 0.00 C ATOM 620 C VAL A 635 186.493 -4.639 1.427 1.00 0.00 C ATOM 621 O VAL A 635 185.930 -3.547 1.511 1.00 0.00 O ATOM 622 CB VAL A 635 187.002 -5.724 -0.802 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.316 -5.016 -0.513 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.234 -7.166 -1.205 1.00 0.00 C ATOM 0 H VAL A 635 184.603 -4.511 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 635 186.043 -6.651 0.889 1.00 0.00 H new ATOM 0 HB VAL A 635 186.540 -5.189 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 635 188.962 -5.076 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.121 -3.970 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.808 -5.493 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.915 -7.201 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.670 -7.712 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.284 -7.624 -1.482 1.00 0.00 H new ATOM 634 N GLY A 636 187.511 -4.989 2.205 1.00 0.00 N ATOM 635 CA GLY A 636 188.019 -4.077 3.212 1.00 0.00 C ATOM 636 C GLY A 636 189.533 -4.052 3.265 1.00 0.00 C ATOM 637 O GLY A 636 190.187 -5.064 3.009 1.00 0.00 O ATOM 0 H GLY A 636 187.993 -5.887 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.650 -3.072 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.630 -4.366 4.188 1.00 0.00 H new ATOM 641 N GLY A 637 190.092 -2.894 3.598 1.00 0.00 N ATOM 642 CA GLY A 637 191.536 -2.764 3.681 1.00 0.00 C ATOM 643 C GLY A 637 192.175 -2.512 2.330 1.00 0.00 C ATOM 644 O GLY A 637 193.142 -3.178 1.960 1.00 0.00 O ATOM 0 H GLY A 637 189.572 -2.043 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.786 -1.945 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.955 -3.672 4.114 1.00 0.00 H new ATOM 648 N LYS A 638 191.637 -1.547 1.593 1.00 0.00 N ATOM 649 CA LYS A 638 192.163 -1.208 0.275 1.00 0.00 C ATOM 650 C LYS A 638 192.802 0.177 0.288 1.00 0.00 C ATOM 651 O LYS A 638 192.134 1.183 0.044 1.00 0.00 O ATOM 652 CB LYS A 638 191.049 -1.260 -0.772 1.00 0.00 C ATOM 653 CG LYS A 638 190.603 -2.673 -1.113 1.00 0.00 C ATOM 654 CD LYS A 638 191.662 -3.414 -1.913 1.00 0.00 C ATOM 655 CE LYS A 638 191.533 -4.920 -1.753 1.00 0.00 C ATOM 656 NZ LYS A 638 190.964 -5.562 -2.970 1.00 0.00 N ATOM 0 H LYS A 638 190.837 -0.985 1.885 1.00 0.00 H new ATOM 0 HA LYS A 638 192.928 -1.940 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.191 -0.695 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.392 -0.766 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.390 -3.220 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.675 -2.635 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 638 191.573 -3.151 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 638 192.653 -3.097 -1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 638 192.513 -5.348 -1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 638 190.897 -5.141 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 190.750 -6.560 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 190.090 -5.070 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 191.653 -5.506 -3.747 1.00 0.00 H new ATOM 763 N LEU A 645 192.489 3.667 4.093 1.00 0.00 N ATOM 764 CA LEU A 645 191.844 2.404 3.757 1.00 0.00 C ATOM 765 C LEU A 645 190.343 2.593 3.568 1.00 0.00 C ATOM 766 O LEU A 645 189.736 3.469 4.183 1.00 0.00 O ATOM 767 CB LEU A 645 192.106 1.366 4.850 1.00 0.00 C ATOM 768 CG LEU A 645 193.546 0.856 4.926 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.691 -0.170 6.039 1.00 0.00 C ATOM 770 CD2 LEU A 645 193.973 0.262 3.591 1.00 0.00 C ATOM 0 HA LEU A 645 192.268 2.047 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.839 1.800 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.443 0.516 4.689 1.00 0.00 H new ATOM 0 HG LEU A 645 194.198 1.700 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.722 -0.521 6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.428 0.288 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 645 193.027 -1.013 5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 645 195.000 -0.096 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.316 -0.570 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 645 193.909 1.026 2.816 1.00 0.00 H new ATOM 782 N GLY A 646 189.749 1.768 2.712 1.00 0.00 N ATOM 783 CA GLY A 646 188.324 1.864 2.458 1.00 0.00 C ATOM 784 C GLY A 646 187.711 0.538 2.054 1.00 0.00 C ATOM 785 O GLY A 646 188.282 -0.523 2.311 1.00 0.00 O ATOM 0 H GLY A 646 190.229 1.035 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.824 2.233 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 646 188.148 2.596 1.670 1.00 0.00 H new ATOM 789 N ALA A 647 186.543 0.598 1.421 1.00 0.00 N ATOM 790 CA ALA A 647 185.849 -0.607 0.981 1.00 0.00 C ATOM 791 C ALA A 647 185.529 -0.550 -0.509 1.00 0.00 C ATOM 792 O ALA A 647 185.446 0.527 -1.097 1.00 0.00 O ATOM 793 CB ALA A 647 184.575 -0.808 1.786 1.00 0.00 C ATOM 0 H ALA A 647 186.058 1.468 1.202 1.00 0.00 H new ATOM 0 HA ALA A 647 186.512 -1.455 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.068 -1.711 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.824 -0.908 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.918 0.051 1.648 1.00 0.00 H new ATOM 799 N PHE A 648 185.349 -1.721 -1.109 1.00 0.00 N ATOM 800 CA PHE A 648 185.035 -1.817 -2.531 1.00 0.00 C ATOM 801 C PHE A 648 184.169 -3.042 -2.807 1.00 0.00 C ATOM 802 O PHE A 648 184.413 -4.119 -2.263 1.00 0.00 O ATOM 803 CB PHE A 648 186.320 -1.893 -3.357 1.00 0.00 C ATOM 804 CG PHE A 648 187.073 -0.594 -3.423 1.00 0.00 C ATOM 805 CD1 PHE A 648 187.931 -0.223 -2.401 1.00 0.00 C ATOM 806 CD2 PHE A 648 186.921 0.254 -4.508 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.626 0.970 -2.460 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.614 1.449 -4.572 1.00 0.00 C ATOM 809 CZ PHE A 648 188.467 1.807 -3.548 1.00 0.00 C ATOM 0 H PHE A 648 185.415 -2.620 -0.632 1.00 0.00 H new ATOM 0 HA PHE A 648 184.481 -0.923 -2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 648 186.970 -2.658 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.072 -2.211 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 648 188.058 -0.873 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 648 186.254 -0.021 -5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.293 1.248 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 648 187.488 2.102 -5.423 1.00 0.00 H new ATOM 0 HZ PHE A 648 189.009 2.740 -3.597 1.00 0.00 H new ATOM 819 N ILE A 649 183.159 -2.876 -3.652 1.00 0.00 N ATOM 820 CA ILE A 649 182.264 -3.975 -3.992 1.00 0.00 C ATOM 821 C ILE A 649 182.896 -4.893 -5.038 1.00 0.00 C ATOM 822 O ILE A 649 183.213 -4.463 -6.146 1.00 0.00 O ATOM 823 CB ILE A 649 180.905 -3.453 -4.514 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.149 -2.727 -3.400 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.061 -4.594 -5.069 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.231 -1.634 -3.908 1.00 0.00 C ATOM 0 H ILE A 649 182.939 -1.993 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 649 182.092 -4.544 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 649 181.100 -2.748 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.561 -3.452 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 649 180.869 -2.293 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.110 -4.201 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.592 -5.072 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.876 -5.326 -4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.727 -1.161 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.816 -0.888 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.488 -2.065 -4.579 1.00 0.00 H new ATOM 838 N THR A 650 183.083 -6.157 -4.670 1.00 0.00 N ATOM 839 CA THR A 650 183.684 -7.134 -5.573 1.00 0.00 C ATOM 840 C THR A 650 182.677 -7.618 -6.615 1.00 0.00 C ATOM 841 O THR A 650 183.049 -7.936 -7.745 1.00 0.00 O ATOM 842 CB THR A 650 184.233 -8.330 -4.787 1.00 0.00 C ATOM 843 OG1 THR A 650 183.206 -9.267 -4.515 1.00 0.00 O ATOM 844 CG2 THR A 650 184.867 -7.947 -3.465 1.00 0.00 C ATOM 0 H THR A 650 182.828 -6.529 -3.755 1.00 0.00 H new ATOM 0 HA THR A 650 184.506 -6.640 -6.091 1.00 0.00 H new ATOM 0 HB THR A 650 185.004 -8.761 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.502 -10.163 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.233 -8.843 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 650 185.699 -7.266 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 650 184.126 -7.456 -2.835 1.00 0.00 H new ATOM 852 N LYS A 651 181.403 -7.675 -6.235 1.00 0.00 N ATOM 853 CA LYS A 651 180.361 -8.128 -7.151 1.00 0.00 C ATOM 854 C LYS A 651 178.965 -7.863 -6.592 1.00 0.00 C ATOM 855 O LYS A 651 178.773 -7.762 -5.379 1.00 0.00 O ATOM 856 CB LYS A 651 180.527 -9.621 -7.446 1.00 0.00 C ATOM 857 CG LYS A 651 180.260 -10.518 -6.246 1.00 0.00 C ATOM 858 CD LYS A 651 180.760 -11.934 -6.486 1.00 0.00 C ATOM 859 CE LYS A 651 179.659 -12.831 -7.030 1.00 0.00 C ATOM 860 NZ LYS A 651 179.773 -13.022 -8.502 1.00 0.00 N ATOM 0 H LYS A 651 181.070 -7.415 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 651 180.467 -7.561 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.850 -9.900 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.541 -9.801 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.749 -10.103 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.190 -10.539 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 651 181.593 -11.912 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 651 181.141 -12.349 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 651 179.703 -13.801 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 651 178.688 -12.396 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 179.004 -13.639 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 179.706 -12.100 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 180.689 -13.461 -8.725 1.00 0.00 H new ATOM 874 N VAL A 652 177.994 -7.755 -7.494 1.00 0.00 N ATOM 875 CA VAL A 652 176.605 -7.507 -7.116 1.00 0.00 C ATOM 876 C VAL A 652 175.686 -8.581 -7.687 1.00 0.00 C ATOM 877 O VAL A 652 175.783 -8.930 -8.864 1.00 0.00 O ATOM 878 CB VAL A 652 176.109 -6.125 -7.603 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.062 -5.130 -6.455 1.00 0.00 C ATOM 880 CG2 VAL A 652 176.979 -5.600 -8.734 1.00 0.00 C ATOM 0 H VAL A 652 178.145 -7.836 -8.500 1.00 0.00 H new ATOM 0 HA VAL A 652 176.573 -7.529 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 652 175.096 -6.250 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.710 -4.166 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.382 -5.495 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 652 177.060 -5.015 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.608 -4.627 -9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.007 -5.499 -8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 652 176.947 -6.297 -9.571 1.00 0.00 H new ATOM 890 N LYS A 653 174.790 -9.098 -6.853 1.00 0.00 N ATOM 891 CA LYS A 653 173.852 -10.126 -7.288 1.00 0.00 C ATOM 892 C LYS A 653 172.674 -9.501 -8.029 1.00 0.00 C ATOM 893 O LYS A 653 171.804 -8.880 -7.419 1.00 0.00 O ATOM 894 CB LYS A 653 173.349 -10.931 -6.089 1.00 0.00 C ATOM 895 CG LYS A 653 173.071 -12.391 -6.411 1.00 0.00 C ATOM 896 CD LYS A 653 171.583 -12.652 -6.578 1.00 0.00 C ATOM 897 CE LYS A 653 170.911 -12.921 -5.242 1.00 0.00 C ATOM 898 NZ LYS A 653 170.795 -14.379 -4.961 1.00 0.00 N ATOM 0 H LYS A 653 174.694 -8.823 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 653 174.375 -10.798 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 653 174.089 -10.878 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.437 -10.471 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 653 173.595 -12.669 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 653 173.465 -13.022 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 653 171.113 -11.792 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 653 171.434 -13.505 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 653 171.481 -12.442 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 653 169.918 -12.471 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 170.331 -14.519 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 170.229 -14.832 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 171.744 -14.805 -4.939 1.00 0.00 H new ATOM 912 N LYS A 654 172.654 -9.667 -9.348 1.00 0.00 N ATOM 913 CA LYS A 654 171.585 -9.117 -10.174 1.00 0.00 C ATOM 914 C LYS A 654 170.226 -9.664 -9.746 1.00 0.00 C ATOM 915 O LYS A 654 169.875 -10.800 -10.063 1.00 0.00 O ATOM 916 CB LYS A 654 171.833 -9.439 -11.648 1.00 0.00 C ATOM 917 CG LYS A 654 172.646 -8.376 -12.373 1.00 0.00 C ATOM 918 CD LYS A 654 173.983 -8.920 -12.849 1.00 0.00 C ATOM 919 CE LYS A 654 173.857 -9.606 -14.200 1.00 0.00 C ATOM 920 NZ LYS A 654 175.154 -10.177 -14.657 1.00 0.00 N ATOM 0 H LYS A 654 173.367 -10.179 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 654 171.580 -8.035 -10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 654 172.352 -10.395 -11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 654 170.874 -9.558 -12.152 1.00 0.00 H new ATOM 0 HG2 LYS A 654 172.080 -8.004 -13.227 1.00 0.00 H new ATOM 0 HG3 LYS A 654 172.814 -7.529 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 654 174.704 -8.106 -12.919 1.00 0.00 H new ATOM 0 HD3 LYS A 654 174.371 -9.627 -12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 654 173.113 -10.400 -14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 654 173.496 -8.890 -14.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 175.025 -10.636 -15.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 175.857 -9.416 -14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 175.487 -10.879 -13.966 1.00 0.00 H new ATOM 934 N GLY A 655 169.468 -8.847 -9.020 1.00 0.00 N ATOM 935 CA GLY A 655 168.158 -9.267 -8.559 1.00 0.00 C ATOM 936 C GLY A 655 167.977 -9.055 -7.069 1.00 0.00 C ATOM 937 O GLY A 655 166.852 -8.919 -6.587 1.00 0.00 O ATOM 0 H GLY A 655 169.738 -7.903 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.390 -8.712 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 655 168.014 -10.322 -8.794 1.00 0.00 H new ATOM 941 N SER A 656 169.086 -9.025 -6.338 1.00 0.00 N ATOM 942 CA SER A 656 169.046 -8.827 -4.895 1.00 0.00 C ATOM 943 C SER A 656 168.743 -7.373 -4.554 1.00 0.00 C ATOM 944 O SER A 656 168.778 -6.499 -5.421 1.00 0.00 O ATOM 945 CB SER A 656 170.374 -9.246 -4.263 1.00 0.00 C ATOM 946 OG SER A 656 170.351 -10.611 -3.882 1.00 0.00 O ATOM 0 H SER A 656 170.024 -9.135 -6.722 1.00 0.00 H new ATOM 0 HA SER A 656 168.248 -9.450 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 656 171.186 -9.077 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.577 -8.625 -3.390 1.00 0.00 H new ATOM 0 HG SER A 656 171.040 -10.773 -3.204 1.00 0.00 H new ATOM 952 N LEU A 657 168.443 -7.122 -3.284 1.00 0.00 N ATOM 953 CA LEU A 657 168.126 -5.777 -2.814 1.00 0.00 C ATOM 954 C LEU A 657 169.188 -4.769 -3.238 1.00 0.00 C ATOM 955 O LEU A 657 168.876 -3.717 -3.797 1.00 0.00 O ATOM 956 CB LEU A 657 167.987 -5.772 -1.291 1.00 0.00 C ATOM 957 CG LEU A 657 166.957 -6.759 -0.734 1.00 0.00 C ATOM 958 CD1 LEU A 657 167.620 -7.744 0.219 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.827 -6.014 -0.036 1.00 0.00 C ATOM 0 H LEU A 657 168.413 -7.837 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 657 167.180 -5.482 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 657 168.959 -5.997 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.716 -4.767 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 657 166.534 -7.321 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 657 166.872 -8.437 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 657 168.391 -8.301 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 657 168.072 -7.200 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.104 -6.731 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.233 -5.425 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.334 -5.352 -0.748 1.00 0.00 H new ATOM 971 N ALA A 658 170.443 -5.094 -2.963 1.00 0.00 N ATOM 972 CA ALA A 658 171.559 -4.216 -3.305 1.00 0.00 C ATOM 973 C ALA A 658 171.456 -3.705 -4.740 1.00 0.00 C ATOM 974 O ALA A 658 171.961 -2.631 -5.065 1.00 0.00 O ATOM 975 CB ALA A 658 172.880 -4.943 -3.102 1.00 0.00 C ATOM 0 H ALA A 658 170.717 -5.962 -2.502 1.00 0.00 H new ATOM 0 HA ALA A 658 171.516 -3.353 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.704 -4.278 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 658 172.972 -5.247 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 658 172.912 -5.825 -3.741 1.00 0.00 H new ATOM 981 N ASP A 659 170.811 -4.486 -5.599 1.00 0.00 N ATOM 982 CA ASP A 659 170.658 -4.116 -7.002 1.00 0.00 C ATOM 983 C ASP A 659 169.387 -3.306 -7.246 1.00 0.00 C ATOM 984 O ASP A 659 169.425 -2.252 -7.881 1.00 0.00 O ATOM 985 CB ASP A 659 170.647 -5.370 -7.880 1.00 0.00 C ATOM 986 CG ASP A 659 171.115 -5.089 -9.295 1.00 0.00 C ATOM 987 OD1 ASP A 659 172.335 -4.910 -9.492 1.00 0.00 O ATOM 988 OD2 ASP A 659 170.261 -5.050 -10.206 1.00 0.00 O ATOM 0 H ASP A 659 170.386 -5.379 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 659 171.509 -3.488 -7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.288 -6.129 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.638 -5.781 -7.909 1.00 0.00 H new ATOM 993 N VAL A 660 168.263 -3.813 -6.760 1.00 0.00 N ATOM 994 CA VAL A 660 166.977 -3.141 -6.950 1.00 0.00 C ATOM 995 C VAL A 660 166.828 -1.910 -6.059 1.00 0.00 C ATOM 996 O VAL A 660 166.365 -0.864 -6.515 1.00 0.00 O ATOM 997 CB VAL A 660 165.784 -4.091 -6.702 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.504 -4.927 -7.942 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.033 -4.985 -5.497 1.00 0.00 C ATOM 0 H VAL A 660 168.211 -4.684 -6.232 1.00 0.00 H new ATOM 0 HA VAL A 660 166.966 -2.822 -7.992 1.00 0.00 H new ATOM 0 HB VAL A 660 164.906 -3.481 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.661 -5.591 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.266 -4.269 -8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.385 -5.521 -8.187 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.176 -5.642 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 660 166.926 -5.586 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.176 -4.368 -4.610 1.00 0.00 H new ATOM 1009 N VAL A 661 167.209 -2.030 -4.790 1.00 0.00 N ATOM 1010 CA VAL A 661 167.097 -0.910 -3.860 1.00 0.00 C ATOM 1011 C VAL A 661 168.429 -0.181 -3.698 1.00 0.00 C ATOM 1012 O VAL A 661 168.459 1.022 -3.444 1.00 0.00 O ATOM 1013 CB VAL A 661 166.591 -1.368 -2.476 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.574 -2.331 -1.828 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.338 -0.168 -1.575 1.00 0.00 C ATOM 0 H VAL A 661 167.595 -2.883 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 661 166.369 -0.222 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 661 165.648 -1.896 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.194 -2.638 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 661 167.696 -3.208 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.538 -1.837 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 661 165.982 -0.511 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.265 0.391 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.586 0.477 -2.030 1.00 0.00 H new ATOM 1025 N GLY A 662 169.527 -0.914 -3.848 1.00 0.00 N ATOM 1026 CA GLY A 662 170.840 -0.312 -3.715 1.00 0.00 C ATOM 1027 C GLY A 662 171.263 0.426 -4.970 1.00 0.00 C ATOM 1028 O GLY A 662 171.528 1.627 -4.935 1.00 0.00 O ATOM 0 H GLY A 662 169.531 -1.912 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.837 0.380 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.572 -1.087 -3.488 1.00 0.00 H new ATOM 1032 N HIS A 663 171.316 -0.299 -6.084 1.00 0.00 N ATOM 1033 CA HIS A 663 171.697 0.280 -7.368 1.00 0.00 C ATOM 1034 C HIS A 663 173.191 0.608 -7.426 1.00 0.00 C ATOM 1035 O HIS A 663 173.576 1.760 -7.626 1.00 0.00 O ATOM 1036 CB HIS A 663 170.865 1.536 -7.657 1.00 0.00 C ATOM 1037 CG HIS A 663 169.932 1.378 -8.818 1.00 0.00 C ATOM 1038 ND1 HIS A 663 170.202 1.879 -10.075 1.00 0.00 N ATOM 1039 CD2 HIS A 663 168.725 0.769 -8.910 1.00 0.00 C ATOM 1040 CE1 HIS A 663 169.203 1.586 -10.887 1.00 0.00 C ATOM 1041 NE2 HIS A 663 168.294 0.912 -10.206 1.00 0.00 N ATOM 0 H HIS A 663 171.098 -1.295 -6.122 1.00 0.00 H new ATOM 0 HA HIS A 663 171.494 -0.467 -8.136 1.00 0.00 H new ATOM 0 HB2 HIS A 663 170.288 1.792 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.538 2.371 -7.852 1.00 0.00 H new ATOM 0 HD2 HIS A 663 168.200 0.265 -8.112 1.00 0.00 H new ATOM 0 HE1 HIS A 663 169.140 1.852 -11.932 1.00 0.00 H new ATOM 0 HE2 HIS A 663 167.415 0.556 -10.581 1.00 0.00 H new ATOM 1050 N LEU A 664 174.031 -0.414 -7.278 1.00 0.00 N ATOM 1051 CA LEU A 664 175.475 -0.227 -7.346 1.00 0.00 C ATOM 1052 C LEU A 664 176.113 -1.387 -8.094 1.00 0.00 C ATOM 1053 O LEU A 664 175.440 -2.357 -8.443 1.00 0.00 O ATOM 1054 CB LEU A 664 176.098 -0.078 -5.951 1.00 0.00 C ATOM 1055 CG LEU A 664 175.455 -0.903 -4.837 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.081 -0.360 -4.493 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.370 -2.364 -5.236 1.00 0.00 C ATOM 0 H LEU A 664 173.736 -1.376 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 664 175.668 0.700 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.152 -0.350 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.057 0.974 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 664 176.083 -0.827 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.641 -0.962 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.171 0.673 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.442 -0.401 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 664 174.909 -2.935 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.767 -2.460 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.372 -2.748 -5.426 1.00 0.00 H new ATOM 1069 N ARG A 665 177.408 -1.283 -8.352 1.00 0.00 N ATOM 1070 CA ARG A 665 178.120 -2.329 -9.075 1.00 0.00 C ATOM 1071 C ARG A 665 179.520 -2.532 -8.517 1.00 0.00 C ATOM 1072 O ARG A 665 180.041 -1.686 -7.790 1.00 0.00 O ATOM 1073 CB ARG A 665 178.198 -1.987 -10.563 1.00 0.00 C ATOM 1074 CG ARG A 665 176.840 -1.898 -11.242 1.00 0.00 C ATOM 1075 CD ARG A 665 176.950 -1.308 -12.639 1.00 0.00 C ATOM 1076 NE ARG A 665 176.906 -2.340 -13.673 1.00 0.00 N ATOM 1077 CZ ARG A 665 177.968 -3.033 -14.078 1.00 0.00 C ATOM 1078 NH1 ARG A 665 179.163 -2.803 -13.549 1.00 0.00 N ATOM 1079 NH2 ARG A 665 177.834 -3.959 -15.018 1.00 0.00 N ATOM 0 H ARG A 665 177.986 -0.490 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 665 177.564 -3.258 -8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.717 -1.036 -10.681 1.00 0.00 H new ATOM 0 HB3 ARG A 665 178.799 -2.743 -11.069 1.00 0.00 H new ATOM 0 HG2 ARG A 665 176.396 -2.892 -11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.171 -1.284 -10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 665 176.137 -0.600 -12.799 1.00 0.00 H new ATOM 0 HD3 ARG A 665 177.882 -0.749 -12.724 1.00 0.00 H new ATOM 0 HE ARG A 665 176.007 -2.541 -14.111 1.00 0.00 H new ATOM 0 HH11 ARG A 665 179.273 -2.091 -12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 665 179.972 -3.338 -13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 665 176.918 -4.139 -15.429 1.00 0.00 H new ATOM 0 HH22 ARG A 665 178.647 -4.491 -15.329 1.00 0.00 H new ATOM 1093 N ALA A 666 180.125 -3.662 -8.865 1.00 0.00 N ATOM 1094 CA ALA A 666 181.468 -3.981 -8.404 1.00 0.00 C ATOM 1095 C ALA A 666 182.451 -2.891 -8.803 1.00 0.00 C ATOM 1096 O ALA A 666 182.575 -2.552 -9.980 1.00 0.00 O ATOM 1097 CB ALA A 666 181.909 -5.325 -8.955 1.00 0.00 C ATOM 0 H ALA A 666 179.705 -4.372 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 666 181.452 -4.039 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 666 182.915 -5.551 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.223 -6.101 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 666 181.906 -5.290 -10.044 1.00 0.00 H new ATOM 1103 N GLY A 667 183.142 -2.340 -7.815 1.00 0.00 N ATOM 1104 CA GLY A 667 184.100 -1.284 -8.077 1.00 0.00 C ATOM 1105 C GLY A 667 183.810 -0.040 -7.262 1.00 0.00 C ATOM 1106 O GLY A 667 184.701 0.774 -7.016 1.00 0.00 O ATOM 0 H GLY A 667 183.056 -2.606 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.104 -1.641 -7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.084 -1.034 -9.138 1.00 0.00 H new ATOM 1110 N ASP A 668 182.558 0.104 -6.838 1.00 0.00 N ATOM 1111 CA ASP A 668 182.147 1.252 -6.039 1.00 0.00 C ATOM 1112 C ASP A 668 182.817 1.216 -4.671 1.00 0.00 C ATOM 1113 O ASP A 668 182.976 0.151 -4.075 1.00 0.00 O ATOM 1114 CB ASP A 668 180.627 1.270 -5.876 1.00 0.00 C ATOM 1115 CG ASP A 668 179.935 2.037 -6.986 1.00 0.00 C ATOM 1116 OD1 ASP A 668 179.982 3.284 -6.964 1.00 0.00 O ATOM 1117 OD2 ASP A 668 179.348 1.389 -7.878 1.00 0.00 O ATOM 0 H ASP A 668 181.810 -0.561 -7.035 1.00 0.00 H new ATOM 0 HA ASP A 668 182.457 2.160 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.254 0.246 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.373 1.718 -4.915 1.00 0.00 H new ATOM 1122 N GLU A 669 183.211 2.385 -4.179 1.00 0.00 N ATOM 1123 CA GLU A 669 183.866 2.479 -2.882 1.00 0.00 C ATOM 1124 C GLU A 669 182.893 2.955 -1.811 1.00 0.00 C ATOM 1125 O GLU A 669 182.401 4.083 -1.863 1.00 0.00 O ATOM 1126 CB GLU A 669 185.065 3.428 -2.958 1.00 0.00 C ATOM 1127 CG GLU A 669 186.028 3.285 -1.790 1.00 0.00 C ATOM 1128 CD GLU A 669 186.922 4.497 -1.622 1.00 0.00 C ATOM 1129 OE1 GLU A 669 186.511 5.601 -2.039 1.00 0.00 O ATOM 1130 OE2 GLU A 669 188.034 4.345 -1.074 1.00 0.00 O ATOM 0 H GLU A 669 183.088 3.277 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 669 184.216 1.483 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.604 3.245 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.703 4.455 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.461 3.126 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.646 2.400 -1.939 1.00 0.00 H new ATOM 1137 N VAL A 670 182.623 2.093 -0.837 1.00 0.00 N ATOM 1138 CA VAL A 670 181.713 2.431 0.249 1.00 0.00 C ATOM 1139 C VAL A 670 182.485 2.948 1.459 1.00 0.00 C ATOM 1140 O VAL A 670 183.079 2.171 2.207 1.00 0.00 O ATOM 1141 CB VAL A 670 180.849 1.219 0.668 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.098 1.502 1.964 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.875 0.852 -0.440 1.00 0.00 C ATOM 0 H VAL A 670 183.021 1.156 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 670 181.051 3.215 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 670 181.516 0.374 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.499 0.633 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.812 1.712 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.445 2.364 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.275 -0.003 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.221 1.699 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.430 0.596 -1.342 1.00 0.00 H new ATOM 1153 N LEU A 671 182.470 4.262 1.646 1.00 0.00 N ATOM 1154 CA LEU A 671 183.166 4.882 2.768 1.00 0.00 C ATOM 1155 C LEU A 671 182.312 4.843 4.035 1.00 0.00 C ATOM 1156 O LEU A 671 182.721 5.345 5.081 1.00 0.00 O ATOM 1157 CB LEU A 671 183.536 6.332 2.435 1.00 0.00 C ATOM 1158 CG LEU A 671 184.266 6.542 1.103 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.265 5.423 0.846 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.268 6.641 -0.041 1.00 0.00 C ATOM 0 H LEU A 671 181.984 4.919 1.036 1.00 0.00 H new ATOM 0 HA LEU A 671 184.078 4.313 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.623 6.928 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.163 6.721 3.237 1.00 0.00 H new ATOM 0 HG LEU A 671 184.819 7.480 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.769 5.596 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 671 186.002 5.402 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.740 4.468 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.803 6.790 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.686 5.721 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.598 7.483 0.132 1.00 0.00 H new ATOM 1172 N GLU A 672 181.122 4.255 3.937 1.00 0.00 N ATOM 1173 CA GLU A 672 180.222 4.169 5.079 1.00 0.00 C ATOM 1174 C GLU A 672 179.429 2.867 5.069 1.00 0.00 C ATOM 1175 O GLU A 672 178.772 2.536 4.084 1.00 0.00 O ATOM 1176 CB GLU A 672 179.259 5.353 5.072 1.00 0.00 C ATOM 1177 CG GLU A 672 179.939 6.691 5.307 1.00 0.00 C ATOM 1178 CD GLU A 672 179.013 7.714 5.934 1.00 0.00 C ATOM 1179 OE1 GLU A 672 178.404 7.402 6.979 1.00 0.00 O ATOM 1180 OE2 GLU A 672 178.897 8.828 5.381 1.00 0.00 O ATOM 0 H GLU A 672 180.762 3.833 3.081 1.00 0.00 H new ATOM 0 HA GLU A 672 180.829 4.191 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.739 5.382 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.502 5.200 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 672 180.805 6.546 5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 672 180.311 7.077 4.358 1.00 0.00 H new ATOM 1187 N TRP A 673 179.488 2.139 6.177 1.00 0.00 N ATOM 1188 CA TRP A 673 178.768 0.879 6.311 1.00 0.00 C ATOM 1189 C TRP A 673 177.987 0.857 7.619 1.00 0.00 C ATOM 1190 O TRP A 673 178.573 0.898 8.700 1.00 0.00 O ATOM 1191 CB TRP A 673 179.743 -0.295 6.270 1.00 0.00 C ATOM 1192 CG TRP A 673 179.072 -1.614 6.047 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.459 -2.392 6.984 1.00 0.00 C ATOM 1194 CD2 TRP A 673 178.946 -2.308 4.802 1.00 0.00 C ATOM 1195 NE1 TRP A 673 177.967 -3.535 6.399 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.253 -3.506 5.059 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.355 -2.034 3.495 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 177.963 -4.427 4.054 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.065 -2.947 2.501 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.374 -4.132 2.785 1.00 0.00 C ATOM 0 H TRP A 673 180.030 2.402 7.000 1.00 0.00 H new ATOM 0 HA TRP A 673 178.070 0.788 5.479 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.471 -0.126 5.476 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.297 -0.331 7.208 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.373 -2.146 8.032 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.470 -4.283 6.883 1.00 0.00 H new ATOM 0 HE3 TRP A 673 179.889 -1.124 3.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.432 -5.342 4.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.376 -2.744 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.162 -4.826 1.985 1.00 0.00 H new ATOM 1211 N ASN A 674 176.665 0.800 7.518 1.00 0.00 N ATOM 1212 CA ASN A 674 175.812 0.783 8.700 1.00 0.00 C ATOM 1213 C ASN A 674 175.933 2.094 9.468 1.00 0.00 C ATOM 1214 O ASN A 674 175.904 2.114 10.699 1.00 0.00 O ATOM 1215 CB ASN A 674 176.179 -0.394 9.608 1.00 0.00 C ATOM 1216 CG ASN A 674 175.053 -0.770 10.551 1.00 0.00 C ATOM 1217 OD1 ASN A 674 175.125 -0.516 11.754 1.00 0.00 O ATOM 1218 ND2 ASN A 674 174.006 -1.379 10.010 1.00 0.00 N ATOM 0 H ASN A 674 176.161 0.765 6.632 1.00 0.00 H new ATOM 0 HA ASN A 674 174.779 0.665 8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.438 -1.256 8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.065 -0.139 10.189 1.00 0.00 H new ATOM 0 HD21 ASN A 674 173.218 -1.656 10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 674 173.988 -1.570 9.008 1.00 0.00 H new ATOM 1225 N GLY A 675 176.059 3.189 8.727 1.00 0.00 N ATOM 1226 CA GLY A 675 176.170 4.500 9.341 1.00 0.00 C ATOM 1227 C GLY A 675 177.476 4.706 10.090 1.00 0.00 C ATOM 1228 O GLY A 675 177.576 5.604 10.925 1.00 0.00 O ATOM 0 H GLY A 675 176.086 3.192 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 675 176.078 5.264 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.338 4.642 10.031 1.00 0.00 H new ATOM 1232 N LYS A 676 178.479 3.881 9.799 1.00 0.00 N ATOM 1233 CA LYS A 676 179.772 3.998 10.464 1.00 0.00 C ATOM 1234 C LYS A 676 180.828 4.527 9.507 1.00 0.00 C ATOM 1235 O LYS A 676 180.804 4.218 8.315 1.00 0.00 O ATOM 1236 CB LYS A 676 180.207 2.631 11.022 1.00 0.00 C ATOM 1237 CG LYS A 676 181.551 2.110 10.491 1.00 0.00 C ATOM 1238 CD LYS A 676 182.606 2.067 11.587 1.00 0.00 C ATOM 1239 CE LYS A 676 182.145 1.239 12.778 1.00 0.00 C ATOM 1240 NZ LYS A 676 181.915 2.081 13.984 1.00 0.00 N ATOM 0 H LYS A 676 178.421 3.129 9.112 1.00 0.00 H new ATOM 0 HA LYS A 676 179.668 4.705 11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.265 2.701 12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.434 1.898 10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.416 1.112 10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 676 181.895 2.750 9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.529 1.648 11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 676 182.832 3.082 11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.225 0.714 12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 676 182.893 0.479 13.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 181.114 1.699 14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 182.769 2.077 14.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 181.702 3.056 13.691 1.00 0.00 H new ATOM 1254 N PRO A 677 181.797 5.301 10.015 1.00 0.00 N ATOM 1255 CA PRO A 677 182.868 5.816 9.183 1.00 0.00 C ATOM 1256 C PRO A 677 183.946 4.758 8.979 1.00 0.00 C ATOM 1257 O PRO A 677 184.560 4.284 9.935 1.00 0.00 O ATOM 1258 CB PRO A 677 183.404 6.983 10.007 1.00 0.00 C ATOM 1259 CG PRO A 677 183.173 6.578 11.424 1.00 0.00 C ATOM 1260 CD PRO A 677 181.940 5.706 11.427 1.00 0.00 C ATOM 0 HA PRO A 677 182.541 6.106 8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.462 7.154 9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 677 182.882 7.910 9.769 1.00 0.00 H new ATOM 0 HG2 PRO A 677 184.033 6.035 11.817 1.00 0.00 H new ATOM 0 HG3 PRO A 677 183.031 7.453 12.059 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.061 4.843 12.081 1.00 0.00 H new ATOM 0 HD3 PRO A 677 181.064 6.252 11.778 1.00 0.00 H new ATOM 1268 N LEU A 678 184.155 4.386 7.728 1.00 0.00 N ATOM 1269 CA LEU A 678 185.143 3.374 7.376 1.00 0.00 C ATOM 1270 C LEU A 678 186.526 3.969 7.079 1.00 0.00 C ATOM 1271 O LEU A 678 187.535 3.301 7.299 1.00 0.00 O ATOM 1272 CB LEU A 678 184.656 2.563 6.175 1.00 0.00 C ATOM 1273 CG LEU A 678 183.296 1.885 6.364 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.849 1.212 5.074 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.353 0.879 7.506 1.00 0.00 C ATOM 0 H LEU A 678 183.650 4.772 6.931 1.00 0.00 H new ATOM 0 HA LEU A 678 185.255 2.725 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.600 3.222 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.398 1.798 5.946 1.00 0.00 H new ATOM 0 HG LEU A 678 182.563 2.650 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.881 0.736 5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.764 1.959 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.581 0.459 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.377 0.408 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 678 184.099 0.117 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.623 1.392 8.429 1.00 0.00 H new ATOM 1287 N PRO A 679 186.616 5.221 6.572 1.00 0.00 N ATOM 1288 CA PRO A 679 187.907 5.846 6.262 1.00 0.00 C ATOM 1289 C PRO A 679 188.962 5.570 7.329 1.00 0.00 C ATOM 1290 O PRO A 679 188.881 6.078 8.447 1.00 0.00 O ATOM 1291 CB PRO A 679 187.560 7.329 6.208 1.00 0.00 C ATOM 1292 CG PRO A 679 186.160 7.356 5.700 1.00 0.00 C ATOM 1293 CD PRO A 679 185.489 6.124 6.256 1.00 0.00 C ATOM 0 HA PRO A 679 188.345 5.461 5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.636 7.792 7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.235 7.872 5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.645 8.260 6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.141 7.352 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.901 6.355 7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.809 5.677 5.531 1.00 0.00 H new ATOM 1301 N GLY A 680 189.944 4.746 6.974 1.00 0.00 N ATOM 1302 CA GLY A 680 190.997 4.395 7.908 1.00 0.00 C ATOM 1303 C GLY A 680 190.839 2.985 8.454 1.00 0.00 C ATOM 1304 O GLY A 680 191.666 2.520 9.238 1.00 0.00 O ATOM 0 H GLY A 680 190.028 4.315 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 680 191.964 4.484 7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.997 5.105 8.735 1.00 0.00 H new ATOM 1308 N ALA A 681 189.771 2.307 8.039 1.00 0.00 N ATOM 1309 CA ALA A 681 189.499 0.947 8.488 1.00 0.00 C ATOM 1310 C ALA A 681 190.116 -0.079 7.543 1.00 0.00 C ATOM 1311 O ALA A 681 189.934 -0.006 6.328 1.00 0.00 O ATOM 1312 CB ALA A 681 187.998 0.725 8.599 1.00 0.00 C ATOM 0 H ALA A 681 189.079 2.681 7.390 1.00 0.00 H new ATOM 0 HA ALA A 681 189.953 0.816 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 681 187.805 -0.294 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 681 187.578 1.430 9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.534 0.880 7.625 1.00 0.00 H new ATOM 1318 N THR A 682 190.844 -1.037 8.108 1.00 0.00 N ATOM 1319 CA THR A 682 191.484 -2.078 7.313 1.00 0.00 C ATOM 1320 C THR A 682 190.543 -3.264 7.114 1.00 0.00 C ATOM 1321 O THR A 682 189.414 -3.263 7.604 1.00 0.00 O ATOM 1322 CB THR A 682 192.782 -2.538 7.981 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.299 -3.692 7.343 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.618 -2.861 9.449 1.00 0.00 C ATOM 0 H THR A 682 191.005 -1.114 9.112 1.00 0.00 H new ATOM 0 HA THR A 682 191.722 -1.661 6.335 1.00 0.00 H new ATOM 0 HB THR A 682 193.467 -1.695 7.884 1.00 0.00 H new ATOM 0 HG1 THR A 682 193.660 -3.447 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.575 -3.180 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.272 -1.974 9.980 1.00 0.00 H new ATOM 0 HG23 THR A 682 191.888 -3.662 9.566 1.00 0.00 H new ATOM 1332 N ASN A 683 191.015 -4.270 6.386 1.00 0.00 N ATOM 1333 CA ASN A 683 190.220 -5.464 6.108 1.00 0.00 C ATOM 1334 C ASN A 683 189.614 -6.043 7.384 1.00 0.00 C ATOM 1335 O ASN A 683 188.430 -6.380 7.420 1.00 0.00 O ATOM 1336 CB ASN A 683 191.082 -6.521 5.416 1.00 0.00 C ATOM 1337 CG ASN A 683 192.241 -6.978 6.281 1.00 0.00 C ATOM 1338 OD1 ASN A 683 192.120 -7.934 7.047 1.00 0.00 O ATOM 1339 ND2 ASN A 683 193.372 -6.293 6.164 1.00 0.00 N ATOM 0 H ASN A 683 191.949 -4.283 5.975 1.00 0.00 H new ATOM 0 HA ASN A 683 189.403 -5.173 5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 683 190.462 -7.380 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 683 191.468 -6.116 4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 683 194.185 -6.553 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 683 193.428 -5.507 5.516 1.00 0.00 H new ATOM 1346 N GLU A 684 190.429 -6.164 8.425 1.00 0.00 N ATOM 1347 CA GLU A 684 189.966 -6.711 9.694 1.00 0.00 C ATOM 1348 C GLU A 684 189.005 -5.755 10.387 1.00 0.00 C ATOM 1349 O GLU A 684 188.104 -6.183 11.110 1.00 0.00 O ATOM 1350 CB GLU A 684 191.153 -7.019 10.610 1.00 0.00 C ATOM 1351 CG GLU A 684 191.595 -8.472 10.564 1.00 0.00 C ATOM 1352 CD GLU A 684 192.488 -8.845 11.731 1.00 0.00 C ATOM 1353 OE1 GLU A 684 192.420 -8.159 12.773 1.00 0.00 O ATOM 1354 OE2 GLU A 684 193.254 -9.823 11.603 1.00 0.00 O ATOM 0 H GLU A 684 191.412 -5.891 8.415 1.00 0.00 H new ATOM 0 HA GLU A 684 189.432 -7.638 9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 684 191.993 -6.383 10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 684 190.887 -6.761 11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 684 190.716 -9.116 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 684 192.126 -8.657 9.630 1.00 0.00 H new ATOM 1361 N GLU A 685 189.188 -4.460 10.158 1.00 0.00 N ATOM 1362 CA GLU A 685 188.320 -3.460 10.759 1.00 0.00 C ATOM 1363 C GLU A 685 186.914 -3.587 10.190 1.00 0.00 C ATOM 1364 O GLU A 685 185.963 -3.880 10.915 1.00 0.00 O ATOM 1365 CB GLU A 685 188.870 -2.055 10.510 1.00 0.00 C ATOM 1366 CG GLU A 685 188.329 -1.012 11.474 1.00 0.00 C ATOM 1367 CD GLU A 685 189.321 -0.657 12.565 1.00 0.00 C ATOM 1368 OE1 GLU A 685 190.089 -1.549 12.983 1.00 0.00 O ATOM 1369 OE2 GLU A 685 189.328 0.512 13.004 1.00 0.00 O ATOM 0 H GLU A 685 189.926 -4.081 9.564 1.00 0.00 H new ATOM 0 HA GLU A 685 188.283 -3.627 11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.957 -2.080 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 685 188.630 -1.755 9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 685 188.067 -0.111 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 685 187.411 -1.385 11.929 1.00 0.00 H new ATOM 1376 N VAL A 686 186.792 -3.390 8.879 1.00 0.00 N ATOM 1377 CA VAL A 686 185.507 -3.505 8.203 1.00 0.00 C ATOM 1378 C VAL A 686 184.841 -4.835 8.540 1.00 0.00 C ATOM 1379 O VAL A 686 183.627 -4.902 8.737 1.00 0.00 O ATOM 1380 CB VAL A 686 185.674 -3.386 6.673 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.373 -3.710 5.955 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.165 -1.996 6.298 1.00 0.00 C ATOM 0 H VAL A 686 187.570 -3.150 8.265 1.00 0.00 H new ATOM 0 HA VAL A 686 184.875 -2.688 8.552 1.00 0.00 H new ATOM 0 HB VAL A 686 186.421 -4.113 6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.519 -3.618 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 686 184.069 -4.729 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.597 -3.015 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.277 -1.929 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.443 -1.252 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.127 -1.809 6.775 1.00 0.00 H new ATOM 1392 N TYR A 687 185.647 -5.891 8.611 1.00 0.00 N ATOM 1393 CA TYR A 687 185.143 -7.222 8.932 1.00 0.00 C ATOM 1394 C TYR A 687 184.230 -7.174 10.152 1.00 0.00 C ATOM 1395 O TYR A 687 183.103 -7.663 10.118 1.00 0.00 O ATOM 1396 CB TYR A 687 186.307 -8.184 9.196 1.00 0.00 C ATOM 1397 CG TYR A 687 186.758 -8.955 7.975 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.694 -8.390 6.708 1.00 0.00 C ATOM 1399 CD2 TYR A 687 187.253 -10.248 8.091 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.109 -9.091 5.591 1.00 0.00 C ATOM 1401 CE2 TYR A 687 187.671 -10.955 6.980 1.00 0.00 C ATOM 1402 CZ TYR A 687 187.597 -10.372 5.732 1.00 0.00 C ATOM 1403 OH TYR A 687 188.012 -11.073 4.623 1.00 0.00 O ATOM 0 H TYR A 687 186.653 -5.850 8.450 1.00 0.00 H new ATOM 0 HA TYR A 687 184.569 -7.581 8.078 1.00 0.00 H new ATOM 0 HB2 TYR A 687 187.152 -7.617 9.587 1.00 0.00 H new ATOM 0 HB3 TYR A 687 186.012 -8.891 9.971 1.00 0.00 H new ATOM 0 HD1 TYR A 687 186.314 -7.386 6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 687 187.312 -10.708 9.066 1.00 0.00 H new ATOM 0 HE1 TYR A 687 187.051 -8.637 4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 687 188.054 -11.959 7.088 1.00 0.00 H new ATOM 0 HH TYR A 687 188.329 -11.959 4.896 1.00 0.00 H new ATOM 1413 N ASN A 688 184.730 -6.573 11.222 1.00 0.00 N ATOM 1414 CA ASN A 688 183.968 -6.448 12.458 1.00 0.00 C ATOM 1415 C ASN A 688 182.778 -5.514 12.268 1.00 0.00 C ATOM 1416 O ASN A 688 181.693 -5.761 12.792 1.00 0.00 O ATOM 1417 CB ASN A 688 184.864 -5.930 13.585 1.00 0.00 C ATOM 1418 CG ASN A 688 185.476 -7.053 14.399 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.495 -7.005 15.629 1.00 0.00 O ATOM 1420 ND2 ASN A 688 185.983 -8.072 13.715 1.00 0.00 N ATOM 0 H ASN A 688 185.663 -6.163 11.260 1.00 0.00 H new ATOM 0 HA ASN A 688 183.594 -7.436 12.728 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.659 -5.317 13.161 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.281 -5.285 14.242 1.00 0.00 H new ATOM 0 HD21 ASN A 688 186.410 -8.856 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 688 185.946 -8.071 12.696 1.00 0.00 H new ATOM 1427 N ILE A 689 182.989 -4.441 11.512 1.00 0.00 N ATOM 1428 CA ILE A 689 181.934 -3.470 11.250 1.00 0.00 C ATOM 1429 C ILE A 689 180.764 -4.120 10.513 1.00 0.00 C ATOM 1430 O ILE A 689 179.648 -4.176 11.030 1.00 0.00 O ATOM 1431 CB ILE A 689 182.469 -2.269 10.431 1.00 0.00 C ATOM 1432 CG1 ILE A 689 183.241 -1.312 11.341 1.00 0.00 C ATOM 1433 CG2 ILE A 689 181.335 -1.529 9.730 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.739 -1.514 11.308 1.00 0.00 C ATOM 0 H ILE A 689 183.882 -4.222 11.070 1.00 0.00 H new ATOM 0 HA ILE A 689 181.582 -3.103 12.214 1.00 0.00 H new ATOM 0 HB ILE A 689 183.142 -2.656 9.666 1.00 0.00 H new ATOM 0 HG12 ILE A 689 183.016 -0.286 11.049 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.889 -1.436 12.365 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.742 -0.692 9.164 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.821 -2.210 9.052 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.630 -1.156 10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 689 185.217 -0.800 11.978 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.977 -2.528 11.629 1.00 0.00 H new ATOM 0 HD13 ILE A 689 185.105 -1.360 10.293 1.00 0.00 H new ATOM 1446 N ILE A 690 181.024 -4.603 9.302 1.00 0.00 N ATOM 1447 CA ILE A 690 179.988 -5.240 8.497 1.00 0.00 C ATOM 1448 C ILE A 690 179.349 -6.410 9.241 1.00 0.00 C ATOM 1449 O ILE A 690 178.136 -6.433 9.442 1.00 0.00 O ATOM 1450 CB ILE A 690 180.542 -5.726 7.143 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.110 -4.533 6.360 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.450 -6.441 6.350 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.231 -4.758 4.866 1.00 0.00 C ATOM 0 H ILE A 690 181.941 -4.566 8.857 1.00 0.00 H new ATOM 0 HA ILE A 690 179.225 -4.485 8.308 1.00 0.00 H new ATOM 0 HB ILE A 690 181.348 -6.439 7.315 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.473 -3.666 6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 690 182.095 -4.290 6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.855 -6.779 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 690 179.092 -7.300 6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.622 -5.755 6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.640 -3.864 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 690 181.893 -5.603 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.246 -4.969 4.449 1.00 0.00 H new ATOM 1465 N LEU A 691 180.167 -7.377 9.648 1.00 0.00 N ATOM 1466 CA LEU A 691 179.662 -8.545 10.373 1.00 0.00 C ATOM 1467 C LEU A 691 178.713 -8.128 11.489 1.00 0.00 C ATOM 1468 O LEU A 691 177.601 -8.639 11.602 1.00 0.00 O ATOM 1469 CB LEU A 691 180.822 -9.358 10.951 1.00 0.00 C ATOM 1470 CG LEU A 691 181.460 -10.362 9.988 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.423 -9.843 8.558 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.890 -10.664 10.409 1.00 0.00 C ATOM 0 H LEU A 691 181.175 -7.378 9.491 1.00 0.00 H new ATOM 0 HA LEU A 691 179.111 -9.165 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.593 -8.668 11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.465 -9.897 11.828 1.00 0.00 H new ATOM 0 HG LEU A 691 180.883 -11.286 10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.882 -10.575 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.388 -9.679 8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.972 -8.903 8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.330 -11.379 9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.474 -9.744 10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.892 -11.086 11.414 1.00 0.00 H new ATOM 1484 N GLU A 692 179.160 -7.188 12.307 1.00 0.00 N ATOM 1485 CA GLU A 692 178.350 -6.691 13.412 1.00 0.00 C ATOM 1486 C GLU A 692 177.062 -6.057 12.893 1.00 0.00 C ATOM 1487 O GLU A 692 176.062 -5.986 13.608 1.00 0.00 O ATOM 1488 CB GLU A 692 179.140 -5.671 14.233 1.00 0.00 C ATOM 1489 CG GLU A 692 180.091 -6.304 15.238 1.00 0.00 C ATOM 1490 CD GLU A 692 179.909 -5.757 16.640 1.00 0.00 C ATOM 1491 OE1 GLU A 692 180.148 -4.547 16.841 1.00 0.00 O ATOM 1492 OE2 GLU A 692 179.528 -6.537 17.537 1.00 0.00 O ATOM 0 H GLU A 692 180.079 -6.753 12.228 1.00 0.00 H new ATOM 0 HA GLU A 692 178.090 -7.535 14.051 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.711 -5.035 13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.441 -5.025 14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 692 179.935 -7.383 15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 692 181.119 -6.134 14.917 1.00 0.00 H new ATOM 1499 N SER A 693 177.097 -5.592 11.647 1.00 0.00 N ATOM 1500 CA SER A 693 175.936 -4.959 11.031 1.00 0.00 C ATOM 1501 C SER A 693 175.137 -5.949 10.180 1.00 0.00 C ATOM 1502 O SER A 693 174.026 -5.644 9.747 1.00 0.00 O ATOM 1503 CB SER A 693 176.377 -3.775 10.169 1.00 0.00 C ATOM 1504 OG SER A 693 177.151 -2.856 10.921 1.00 0.00 O ATOM 0 H SER A 693 177.918 -5.642 11.044 1.00 0.00 H new ATOM 0 HA SER A 693 175.289 -4.606 11.834 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.958 -4.136 9.320 1.00 0.00 H new ATOM 0 HB3 SER A 693 175.500 -3.270 9.763 1.00 0.00 H new ATOM 0 HG SER A 693 178.059 -3.207 11.032 1.00 0.00 H new ATOM 1510 N LYS A 694 175.698 -7.134 9.943 1.00 0.00 N ATOM 1511 CA LYS A 694 175.015 -8.149 9.147 1.00 0.00 C ATOM 1512 C LYS A 694 173.854 -8.772 9.924 1.00 0.00 C ATOM 1513 O LYS A 694 173.070 -9.541 9.370 1.00 0.00 O ATOM 1514 CB LYS A 694 176.000 -9.235 8.699 1.00 0.00 C ATOM 1515 CG LYS A 694 176.395 -10.207 9.801 1.00 0.00 C ATOM 1516 CD LYS A 694 176.022 -11.639 9.451 1.00 0.00 C ATOM 1517 CE LYS A 694 177.141 -12.606 9.798 1.00 0.00 C ATOM 1518 NZ LYS A 694 177.167 -12.929 11.251 1.00 0.00 N ATOM 0 H LYS A 694 176.617 -7.412 10.288 1.00 0.00 H new ATOM 0 HA LYS A 694 174.607 -7.661 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 694 175.557 -9.796 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 694 176.900 -8.757 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 694 177.469 -10.143 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 694 175.905 -9.921 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 694 175.116 -11.922 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 694 175.797 -11.708 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 694 177.017 -13.525 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 694 178.098 -12.174 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 177.945 -13.591 11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 177.311 -12.056 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 176.264 -13.365 11.526 1.00 0.00 H new ATOM 1532 N SER A 695 173.745 -8.435 11.207 1.00 0.00 N ATOM 1533 CA SER A 695 172.676 -8.961 12.045 1.00 0.00 C ATOM 1534 C SER A 695 171.575 -7.920 12.257 1.00 0.00 C ATOM 1535 O SER A 695 170.619 -8.160 12.994 1.00 0.00 O ATOM 1536 CB SER A 695 173.237 -9.412 13.396 1.00 0.00 C ATOM 1537 OG SER A 695 172.981 -10.787 13.621 1.00 0.00 O ATOM 0 H SER A 695 174.384 -7.801 11.686 1.00 0.00 H new ATOM 0 HA SER A 695 172.239 -9.818 11.533 1.00 0.00 H new ATOM 0 HB2 SER A 695 174.311 -9.229 13.427 1.00 0.00 H new ATOM 0 HB3 SER A 695 172.790 -8.820 14.195 1.00 0.00 H new ATOM 0 HG SER A 695 173.351 -11.051 14.489 1.00 0.00 H new ATOM 1543 N GLU A 696 171.714 -6.763 11.611 1.00 0.00 N ATOM 1544 CA GLU A 696 170.729 -5.695 11.738 1.00 0.00 C ATOM 1545 C GLU A 696 169.648 -5.815 10.665 1.00 0.00 C ATOM 1546 O GLU A 696 169.917 -6.261 9.550 1.00 0.00 O ATOM 1547 CB GLU A 696 171.414 -4.330 11.639 1.00 0.00 C ATOM 1548 CG GLU A 696 171.913 -3.804 12.974 1.00 0.00 C ATOM 1549 CD GLU A 696 170.810 -3.181 13.806 1.00 0.00 C ATOM 1550 OE1 GLU A 696 170.098 -3.931 14.507 1.00 0.00 O ATOM 1551 OE2 GLU A 696 170.656 -1.942 13.757 1.00 0.00 O ATOM 0 H GLU A 696 172.498 -6.544 10.996 1.00 0.00 H new ATOM 0 HA GLU A 696 170.254 -5.788 12.715 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.255 -4.404 10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.714 -3.611 11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 696 172.368 -4.621 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 696 172.693 -3.063 12.799 1.00 0.00 H new ATOM 1558 N PRO A 697 168.404 -5.421 10.991 1.00 0.00 N ATOM 1559 CA PRO A 697 167.281 -5.490 10.049 1.00 0.00 C ATOM 1560 C PRO A 697 167.504 -4.633 8.807 1.00 0.00 C ATOM 1561 O PRO A 697 166.909 -4.881 7.758 1.00 0.00 O ATOM 1562 CB PRO A 697 166.091 -4.952 10.855 1.00 0.00 C ATOM 1563 CG PRO A 697 166.503 -5.067 12.284 1.00 0.00 C ATOM 1564 CD PRO A 697 167.991 -4.883 12.299 1.00 0.00 C ATOM 0 HA PRO A 697 167.137 -6.504 9.676 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.872 -3.918 10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.188 -5.530 10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.010 -4.311 12.895 1.00 0.00 H new ATOM 0 HG3 PRO A 697 166.225 -6.038 12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 697 168.267 -3.834 12.410 1.00 0.00 H new ATOM 0 HD3 PRO A 697 168.456 -5.424 13.123 1.00 0.00 H new ATOM 1572 N GLN A 698 168.361 -3.623 8.928 1.00 0.00 N ATOM 1573 CA GLN A 698 168.650 -2.734 7.808 1.00 0.00 C ATOM 1574 C GLN A 698 170.097 -2.252 7.846 1.00 0.00 C ATOM 1575 O GLN A 698 170.766 -2.342 8.875 1.00 0.00 O ATOM 1576 CB GLN A 698 167.700 -1.533 7.825 1.00 0.00 C ATOM 1577 CG GLN A 698 167.610 -0.809 6.491 1.00 0.00 C ATOM 1578 CD GLN A 698 166.184 -0.466 6.106 1.00 0.00 C ATOM 1579 OE1 GLN A 698 165.323 -1.343 6.026 1.00 0.00 O ATOM 1580 NE2 GLN A 698 165.925 0.815 5.864 1.00 0.00 N ATOM 0 H GLN A 698 168.865 -3.401 9.786 1.00 0.00 H new ATOM 0 HA GLN A 698 168.501 -3.297 6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.705 -1.872 8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 698 168.031 -0.830 8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.199 0.107 6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 698 168.052 -1.432 5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 698 166.668 1.509 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 698 164.983 1.104 5.600 1.00 0.00 H new ATOM 1589 N VAL A 699 170.573 -1.741 6.714 1.00 0.00 N ATOM 1590 CA VAL A 699 171.940 -1.245 6.608 1.00 0.00 C ATOM 1591 C VAL A 699 172.000 0.027 5.767 1.00 0.00 C ATOM 1592 O VAL A 699 171.343 0.131 4.733 1.00 0.00 O ATOM 1593 CB VAL A 699 172.875 -2.306 5.986 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.227 -1.702 5.620 1.00 0.00 C ATOM 1595 CG2 VAL A 699 173.051 -3.483 6.933 1.00 0.00 C ATOM 0 H VAL A 699 170.029 -1.660 5.855 1.00 0.00 H new ATOM 0 HA VAL A 699 172.277 -1.023 7.621 1.00 0.00 H new ATOM 0 HB VAL A 699 172.411 -2.667 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.864 -2.472 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 699 174.083 -0.899 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.702 -1.303 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.713 -4.220 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.486 -3.134 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 699 172.081 -3.939 7.131 1.00 0.00 H new ATOM 1605 N GLU A 700 172.808 0.981 6.212 1.00 0.00 N ATOM 1606 CA GLU A 700 172.977 2.240 5.497 1.00 0.00 C ATOM 1607 C GLU A 700 174.408 2.363 4.988 1.00 0.00 C ATOM 1608 O GLU A 700 175.338 2.565 5.768 1.00 0.00 O ATOM 1609 CB GLU A 700 172.641 3.423 6.409 1.00 0.00 C ATOM 1610 CG GLU A 700 172.241 4.679 5.653 1.00 0.00 C ATOM 1611 CD GLU A 700 171.058 5.387 6.285 1.00 0.00 C ATOM 1612 OE1 GLU A 700 169.930 4.858 6.188 1.00 0.00 O ATOM 1613 OE2 GLU A 700 171.260 6.469 6.876 1.00 0.00 O ATOM 0 H GLU A 700 173.358 0.906 7.068 1.00 0.00 H new ATOM 0 HA GLU A 700 172.295 2.252 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.829 3.137 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.505 3.645 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.090 5.361 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 700 171.996 4.417 4.624 1.00 0.00 H new ATOM 1620 N ILE A 701 174.583 2.229 3.678 1.00 0.00 N ATOM 1621 CA ILE A 701 175.908 2.316 3.078 1.00 0.00 C ATOM 1622 C ILE A 701 176.020 3.501 2.131 1.00 0.00 C ATOM 1623 O ILE A 701 175.112 3.775 1.346 1.00 0.00 O ATOM 1624 CB ILE A 701 176.281 1.030 2.314 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.040 0.398 1.671 1.00 0.00 C ATOM 1626 CG2 ILE A 701 176.968 0.048 3.251 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.311 -0.934 1.003 1.00 0.00 C ATOM 0 H ILE A 701 173.827 2.060 3.014 1.00 0.00 H new ATOM 0 HA ILE A 701 176.604 2.451 3.906 1.00 0.00 H new ATOM 0 HB ILE A 701 176.974 1.288 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.275 0.262 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.633 1.089 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.228 -0.857 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.874 0.502 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.295 -0.205 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.387 -1.319 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.052 -0.802 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.689 -1.641 1.741 1.00 0.00 H new ATOM 1639 N ILE A 702 177.147 4.195 2.212 1.00 0.00 N ATOM 1640 CA ILE A 702 177.401 5.353 1.366 1.00 0.00 C ATOM 1641 C ILE A 702 178.607 5.101 0.469 1.00 0.00 C ATOM 1642 O ILE A 702 179.544 4.409 0.861 1.00 0.00 O ATOM 1643 CB ILE A 702 177.646 6.621 2.210 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.671 6.675 3.392 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.513 7.870 1.352 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.214 6.561 2.989 1.00 0.00 C ATOM 0 H ILE A 702 177.904 3.974 2.859 1.00 0.00 H new ATOM 0 HA ILE A 702 176.516 5.511 0.750 1.00 0.00 H new ATOM 0 HB ILE A 702 178.662 6.581 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.911 5.869 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.817 7.612 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.689 8.753 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.245 7.837 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.509 7.916 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.586 6.607 3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.956 7.382 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.051 5.612 2.479 1.00 0.00 H new ATOM 1658 N VAL A 703 178.577 5.659 -0.737 1.00 0.00 N ATOM 1659 CA VAL A 703 179.673 5.478 -1.681 1.00 0.00 C ATOM 1660 C VAL A 703 180.138 6.804 -2.268 1.00 0.00 C ATOM 1661 O VAL A 703 179.580 7.861 -1.972 1.00 0.00 O ATOM 1662 CB VAL A 703 179.275 4.537 -2.833 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.195 3.102 -2.343 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.956 4.977 -3.454 1.00 0.00 C ATOM 0 H VAL A 703 177.810 6.237 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 703 180.492 5.032 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 703 180.043 4.589 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.913 2.450 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.166 2.795 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.449 3.029 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.692 4.299 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.173 4.958 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.058 5.989 -3.845 1.00 0.00 H new ATOM 1674 N SER A 704 181.167 6.733 -3.105 1.00 0.00 N ATOM 1675 CA SER A 704 181.719 7.922 -3.745 1.00 0.00 C ATOM 1676 C SER A 704 182.350 7.572 -5.088 1.00 0.00 C ATOM 1677 O SER A 704 182.935 6.500 -5.250 1.00 0.00 O ATOM 1678 CB SER A 704 182.758 8.580 -2.835 1.00 0.00 C ATOM 1679 OG SER A 704 183.193 9.819 -3.369 1.00 0.00 O ATOM 0 H SER A 704 181.637 5.863 -3.357 1.00 0.00 H new ATOM 0 HA SER A 704 180.903 8.624 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 704 182.331 8.737 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 704 183.612 7.914 -2.712 1.00 0.00 H new ATOM 0 HG SER A 704 183.855 10.220 -2.768 1.00 0.00 H new ATOM 1741 N GLY B 945 186.208 -9.687 0.830 1.00 0.00 N ATOM 1742 CA GLY B 945 186.315 -9.336 2.233 1.00 0.00 C ATOM 1743 C GLY B 945 185.112 -9.772 3.049 1.00 0.00 C ATOM 1744 O GLY B 945 185.253 -10.516 4.020 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.213 -9.793 2.648 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.436 -8.256 2.323 1.00 0.00 H new ATOM 1748 N ILE B 946 183.929 -9.301 2.666 1.00 0.00 N ATOM 1749 CA ILE B 946 182.705 -9.643 3.384 1.00 0.00 C ATOM 1750 C ILE B 946 181.559 -9.917 2.420 1.00 0.00 C ATOM 1751 O ILE B 946 181.468 -9.307 1.355 1.00 0.00 O ATOM 1752 CB ILE B 946 182.271 -8.517 4.357 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.213 -7.314 4.256 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.218 -9.043 5.787 1.00 0.00 C ATOM 1755 CD1 ILE B 946 184.545 -7.525 4.932 1.00 0.00 C ATOM 0 H ILE B 946 183.792 -8.684 1.866 1.00 0.00 H new ATOM 0 HA ILE B 946 182.929 -10.543 3.957 1.00 0.00 H new ATOM 0 HB ILE B 946 181.272 -8.185 4.073 1.00 0.00 H new ATOM 0 HG12 ILE B 946 183.382 -7.084 3.204 1.00 0.00 H new ATOM 0 HG13 ILE B 946 182.726 -6.445 4.698 1.00 0.00 H new ATOM 0 HG21 ILE B 946 181.912 -8.241 6.459 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.500 -9.861 5.847 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.204 -9.404 6.079 1.00 0.00 H new ATOM 0 HD11 ILE B 946 185.157 -6.630 4.818 1.00 0.00 H new ATOM 0 HD12 ILE B 946 184.388 -7.724 5.992 1.00 0.00 H new ATOM 0 HD13 ILE B 946 185.054 -8.374 4.475 1.00 0.00 H new ATOM 1767 N TRP B 947 180.678 -10.829 2.811 1.00 0.00 N ATOM 1768 CA TRP B 947 179.526 -11.175 1.991 1.00 0.00 C ATOM 1769 C TRP B 947 178.342 -10.282 2.332 1.00 0.00 C ATOM 1770 O TRP B 947 177.901 -10.229 3.481 1.00 0.00 O ATOM 1771 CB TRP B 947 179.151 -12.649 2.180 1.00 0.00 C ATOM 1772 CG TRP B 947 179.465 -13.493 0.982 1.00 0.00 C ATOM 1773 CD1 TRP B 947 180.137 -14.681 0.967 1.00 0.00 C ATOM 1774 CD2 TRP B 947 179.122 -13.209 -0.382 1.00 0.00 C ATOM 1775 NE1 TRP B 947 180.234 -15.154 -0.320 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.618 -14.268 -1.166 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.444 -12.164 -1.014 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 179.456 -14.308 -2.549 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.283 -12.205 -2.387 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.788 -13.272 -3.141 1.00 0.00 C ATOM 0 H TRP B 947 180.740 -11.342 3.691 1.00 0.00 H new ATOM 0 HA TRP B 947 179.792 -11.017 0.946 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.682 -13.045 3.045 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.086 -12.722 2.399 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.535 -15.177 1.840 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.690 -16.022 -0.600 1.00 0.00 H new ATOM 0 HE3 TRP B 947 178.052 -11.338 -0.440 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.845 -15.129 -3.133 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.760 -11.402 -2.885 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.647 -13.277 -4.212 1.00 0.00 H new ATOM 1791 N ALA B 948 177.829 -9.582 1.327 1.00 0.00 N ATOM 1792 CA ALA B 948 176.692 -8.695 1.516 1.00 0.00 C ATOM 1793 C ALA B 948 175.749 -8.769 0.321 1.00 0.00 C ATOM 1794 O ALA B 948 175.139 -7.736 -0.019 1.00 0.00 O ATOM 1795 CB ALA B 948 177.166 -7.266 1.740 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.633 -9.854 -0.279 1.00 0.00 O ATOM 0 H ALA B 948 178.185 -9.613 0.372 1.00 0.00 H new ATOM 0 HA ALA B 948 176.144 -9.019 2.401 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.304 -6.614 1.880 1.00 0.00 H new ATOM 0 HB2 ALA B 948 177.798 -7.227 2.627 1.00 0.00 H new ATOM 0 HB3 ALA B 948 177.737 -6.932 0.873 1.00 0.00 H new