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 674 ASN : amide:sc= -2.45 K(o=-6,f=-3.4) USER MOD Set 1.2: A 693 SER OG : rot -11:sc= -3.56! USER MOD Set 2.1: A 682 THR OG1 : rot 180:sc= -0.221! USER MOD Set 2.2: A 683 ASN : amide:sc= -1.33 K(o=-1.6,f=-2.5!) USER MOD Set 3.1: A 633 LYS NZ :NH3+ 170:sc= -1.85 (180deg=-1.85) USER MOD Set 3.2: A 650 THR OG1 : rot 160:sc= -1.48 USER MOD Set 4.1: A 617 ASN : amide:sc= -3.02 K(o=-3.6,f=-2.6) USER MOD Set 4.2: A 698 GLN : amide:sc= -0.614 K(o=-3.6,f=-2.6) USER MOD Single : A 618 LYS NZ :NH3+ -167:sc= -2.6! (180deg=-3.2!) 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+ -139:sc= 0.305 (180deg=0.108) USER MOD Single : A 654 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 656 SER OG : rot -120:sc= -0.401 USER MOD Single : A 663 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 676 LYS NZ :NH3+ -153:sc= -0.695 (180deg=-1.16) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 688 ASN : amide:sc= 0.183 X(o=0.18,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 41:sc= -2.94! USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.363 9.421 -2.429 1.00 0.00 N ATOM 248 CA GLY A 612 174.987 8.984 -2.293 1.00 0.00 C ATOM 249 C GLY A 612 174.758 8.165 -1.038 1.00 0.00 C ATOM 250 O GLY A 612 175.702 7.626 -0.461 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.332 9.855 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.710 8.392 -3.165 1.00 0.00 H new ATOM 254 N ARG A 613 173.501 8.060 -0.622 1.00 0.00 N ATOM 255 CA ARG A 613 173.150 7.291 0.566 1.00 0.00 C ATOM 256 C ARG A 613 172.321 6.072 0.179 1.00 0.00 C ATOM 257 O ARG A 613 171.262 6.205 -0.431 1.00 0.00 O ATOM 258 CB ARG A 613 172.373 8.162 1.556 1.00 0.00 C ATOM 259 CG ARG A 613 171.030 8.635 1.026 1.00 0.00 C ATOM 260 CD ARG A 613 170.502 9.818 1.821 1.00 0.00 C ATOM 261 NE ARG A 613 169.044 9.913 1.756 1.00 0.00 N ATOM 262 CZ ARG A 613 168.360 11.018 2.042 1.00 0.00 C ATOM 263 NH1 ARG A 613 168.995 12.122 2.416 1.00 0.00 N ATOM 264 NH2 ARG A 613 167.037 11.019 1.955 1.00 0.00 N ATOM 0 H ARG A 613 172.708 8.498 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 613 174.070 6.954 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 613 172.213 7.599 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 613 172.978 9.031 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 613 171.130 8.916 -0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 613 170.312 7.816 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 613 170.813 9.724 2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 613 170.943 10.738 1.438 1.00 0.00 H new ATOM 0 HE ARG A 613 168.521 9.084 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 613 170.013 12.126 2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 613 168.465 12.966 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 613 166.544 10.173 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 613 166.512 11.866 2.174 1.00 0.00 H new ATOM 278 N VAL A 614 172.812 4.881 0.519 1.00 0.00 N ATOM 279 CA VAL A 614 172.108 3.655 0.176 1.00 0.00 C ATOM 280 C VAL A 614 171.697 2.868 1.414 1.00 0.00 C ATOM 281 O VAL A 614 172.504 2.633 2.313 1.00 0.00 O ATOM 282 CB VAL A 614 172.968 2.753 -0.730 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.175 1.539 -1.189 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.493 3.539 -1.922 1.00 0.00 C ATOM 0 H VAL A 614 173.686 4.743 1.027 1.00 0.00 H new ATOM 0 HA VAL A 614 171.208 3.957 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 614 173.822 2.400 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 614 172.801 0.916 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 614 171.856 0.963 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.299 1.867 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.098 2.886 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.654 3.925 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.103 4.370 -1.569 1.00 0.00 H new ATOM 294 N ILE A 615 170.437 2.450 1.441 1.00 0.00 N ATOM 295 CA ILE A 615 169.911 1.670 2.553 1.00 0.00 C ATOM 296 C ILE A 615 169.537 0.271 2.077 1.00 0.00 C ATOM 297 O ILE A 615 168.759 0.117 1.135 1.00 0.00 O ATOM 298 CB ILE A 615 168.673 2.335 3.190 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.823 3.859 3.198 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.467 1.813 4.603 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.966 4.350 4.060 1.00 0.00 C ATOM 0 H ILE A 615 169.759 2.639 0.703 1.00 0.00 H new ATOM 0 HA ILE A 615 170.694 1.614 3.309 1.00 0.00 H new ATOM 0 HB ILE A 615 167.797 2.082 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.974 4.206 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.894 4.305 3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.591 2.289 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.317 0.734 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.345 2.041 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 615 170.012 5.438 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.807 4.033 5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.904 3.933 3.693 1.00 0.00 H new ATOM 313 N LEU A 616 170.101 -0.745 2.718 1.00 0.00 N ATOM 314 CA LEU A 616 169.830 -2.125 2.336 1.00 0.00 C ATOM 315 C LEU A 616 169.322 -2.946 3.516 1.00 0.00 C ATOM 316 O LEU A 616 169.658 -2.677 4.668 1.00 0.00 O ATOM 317 CB LEU A 616 171.093 -2.766 1.758 1.00 0.00 C ATOM 318 CG LEU A 616 171.195 -2.725 0.234 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.581 -3.155 -0.226 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.132 -3.611 -0.390 1.00 0.00 C ATOM 0 H LEU A 616 170.746 -0.640 3.501 1.00 0.00 H new ATOM 0 HA LEU A 616 169.048 -2.113 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 616 171.964 -2.264 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.137 -3.806 2.083 1.00 0.00 H new ATOM 0 HG LEU A 616 171.030 -1.698 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.631 -3.118 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.329 -2.483 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.777 -4.173 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.217 -3.572 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.270 -4.638 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.144 -3.260 -0.091 1.00 0.00 H new ATOM 332 N ASN A 617 168.516 -3.958 3.210 1.00 0.00 N ATOM 333 CA ASN A 617 167.961 -4.838 4.232 1.00 0.00 C ATOM 334 C ASN A 617 168.426 -6.271 4.000 1.00 0.00 C ATOM 335 O ASN A 617 168.161 -6.855 2.949 1.00 0.00 O ATOM 336 CB ASN A 617 166.434 -4.778 4.214 1.00 0.00 C ATOM 337 CG ASN A 617 165.893 -3.576 4.963 1.00 0.00 C ATOM 338 OD1 ASN A 617 165.493 -3.680 6.123 1.00 0.00 O ATOM 339 ND2 ASN A 617 165.876 -2.425 4.300 1.00 0.00 N ATOM 0 H ASN A 617 168.232 -4.189 2.258 1.00 0.00 H new ATOM 0 HA ASN A 617 168.315 -4.503 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.087 -4.745 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 617 166.032 -5.689 4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 617 165.522 -1.582 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 617 166.217 -2.385 3.340 1.00 0.00 H new ATOM 346 N LYS A 618 169.124 -6.835 4.979 1.00 0.00 N ATOM 347 CA LYS A 618 169.627 -8.199 4.869 1.00 0.00 C ATOM 348 C LYS A 618 168.499 -9.216 5.020 1.00 0.00 C ATOM 349 O LYS A 618 168.498 -10.026 5.948 1.00 0.00 O ATOM 350 CB LYS A 618 170.708 -8.456 5.924 1.00 0.00 C ATOM 351 CG LYS A 618 171.636 -7.273 6.151 1.00 0.00 C ATOM 352 CD LYS A 618 172.819 -7.653 7.025 1.00 0.00 C ATOM 353 CE LYS A 618 173.869 -8.424 6.242 1.00 0.00 C ATOM 354 NZ LYS A 618 175.063 -7.588 5.940 1.00 0.00 N ATOM 0 H LYS A 618 169.354 -6.369 5.857 1.00 0.00 H new ATOM 0 HA LYS A 618 170.062 -8.316 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.228 -8.716 6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 618 171.301 -9.319 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.996 -6.902 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 618 171.082 -6.460 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 618 173.266 -6.752 7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 618 172.473 -8.257 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 618 174.175 -9.301 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.434 -8.785 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 175.651 -8.067 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 174.756 -6.665 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 175.617 -7.448 6.809 1.00 0.00 H new ATOM 516 N LEU A 629 172.660 -12.083 1.474 1.00 0.00 N ATOM 517 CA LEU A 629 172.786 -11.014 2.459 1.00 0.00 C ATOM 518 C LEU A 629 171.918 -9.815 2.055 1.00 0.00 C ATOM 519 O LEU A 629 170.737 -9.763 2.401 1.00 0.00 O ATOM 520 CB LEU A 629 174.252 -10.588 2.640 1.00 0.00 C ATOM 521 CG LEU A 629 175.314 -11.675 2.428 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.069 -12.873 3.325 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.388 -12.101 0.969 1.00 0.00 C ATOM 0 HA LEU A 629 172.434 -11.395 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.457 -9.771 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.369 -10.189 3.648 1.00 0.00 H new ATOM 0 HG LEU A 629 176.276 -11.243 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 629 175.840 -13.623 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.100 -12.559 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.090 -13.299 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.150 -12.872 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.422 -12.496 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.646 -11.241 0.351 1.00 0.00 H new ATOM 535 N LEU A 630 172.487 -8.867 1.307 1.00 0.00 N ATOM 536 CA LEU A 630 171.730 -7.701 0.856 1.00 0.00 C ATOM 537 C LEU A 630 171.689 -7.645 -0.673 1.00 0.00 C ATOM 538 O LEU A 630 170.633 -7.406 -1.256 1.00 0.00 O ATOM 539 CB LEU A 630 172.294 -6.388 1.427 1.00 0.00 C ATOM 540 CG LEU A 630 173.678 -6.465 2.072 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.212 -5.069 2.353 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.637 -7.286 3.351 1.00 0.00 C ATOM 0 H LEU A 630 173.461 -8.884 1.004 1.00 0.00 H new ATOM 0 HA LEU A 630 170.714 -7.810 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 630 172.333 -5.654 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.592 -6.009 2.170 1.00 0.00 H new ATOM 0 HG LEU A 630 174.351 -6.961 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.198 -5.142 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 630 174.287 -4.513 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.534 -4.550 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.634 -7.325 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 630 172.947 -6.825 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.301 -8.298 3.123 1.00 0.00 H new ATOM 554 N GLY A 631 172.832 -7.886 -1.325 1.00 0.00 N ATOM 555 CA GLY A 631 172.848 -7.871 -2.783 1.00 0.00 C ATOM 556 C GLY A 631 174.194 -7.527 -3.412 1.00 0.00 C ATOM 557 O GLY A 631 174.261 -7.293 -4.619 1.00 0.00 O ATOM 0 H GLY A 631 173.728 -8.087 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.535 -8.851 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.107 -7.151 -3.132 1.00 0.00 H new ATOM 561 N LEU A 632 175.268 -7.499 -2.626 1.00 0.00 N ATOM 562 CA LEU A 632 176.588 -7.184 -3.175 1.00 0.00 C ATOM 563 C LEU A 632 177.720 -7.652 -2.256 1.00 0.00 C ATOM 564 O LEU A 632 177.566 -7.714 -1.039 1.00 0.00 O ATOM 565 CB LEU A 632 176.696 -5.677 -3.464 1.00 0.00 C ATOM 566 CG LEU A 632 177.444 -4.831 -2.426 1.00 0.00 C ATOM 567 CD1 LEU A 632 177.328 -3.356 -2.768 1.00 0.00 C ATOM 568 CD2 LEU A 632 176.911 -5.088 -1.025 1.00 0.00 C ATOM 0 H LEU A 632 175.254 -7.687 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 632 176.698 -7.730 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.190 -5.549 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.687 -5.277 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 632 178.495 -5.119 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 632 177.863 -2.767 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 632 177.760 -3.176 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 632 176.277 -3.065 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 632 177.459 -4.475 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 632 175.852 -4.832 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 632 177.039 -6.141 -0.774 1.00 0.00 H new ATOM 580 N LYS A 633 178.867 -7.962 -2.848 1.00 0.00 N ATOM 581 CA LYS A 633 180.029 -8.402 -2.085 1.00 0.00 C ATOM 582 C LYS A 633 181.012 -7.249 -1.934 1.00 0.00 C ATOM 583 O LYS A 633 181.333 -6.574 -2.910 1.00 0.00 O ATOM 584 CB LYS A 633 180.705 -9.588 -2.778 1.00 0.00 C ATOM 585 CG LYS A 633 181.017 -10.743 -1.841 1.00 0.00 C ATOM 586 CD LYS A 633 182.483 -11.145 -1.911 1.00 0.00 C ATOM 587 CE LYS A 633 182.675 -12.415 -2.724 1.00 0.00 C ATOM 588 NZ LYS A 633 181.986 -12.341 -4.043 1.00 0.00 N ATOM 0 H LYS A 633 179.018 -7.917 -3.856 1.00 0.00 H new ATOM 0 HA LYS A 633 179.702 -8.723 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 633 180.059 -9.946 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.631 -9.247 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 633 180.766 -10.460 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 633 180.392 -11.599 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 633 183.062 -10.336 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 633 182.868 -11.296 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 633 183.740 -12.588 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 633 182.292 -13.267 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 182.277 -13.147 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 180.956 -12.372 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 182.243 -11.453 -4.519 1.00 0.00 H new ATOM 602 N VAL A 634 181.477 -7.014 -0.713 1.00 0.00 N ATOM 603 CA VAL A 634 182.407 -5.921 -0.463 1.00 0.00 C ATOM 604 C VAL A 634 183.715 -6.405 0.135 1.00 0.00 C ATOM 605 O VAL A 634 183.770 -7.433 0.806 1.00 0.00 O ATOM 606 CB VAL A 634 181.793 -4.862 0.475 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.880 -4.065 1.189 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.878 -3.939 -0.308 1.00 0.00 C ATOM 0 H VAL A 634 181.228 -7.560 0.112 1.00 0.00 H new ATOM 0 HA VAL A 634 182.611 -5.473 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 634 181.205 -5.376 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.418 -3.326 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.496 -4.741 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.503 -3.558 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.450 -3.195 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.449 -3.437 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.077 -4.521 -0.763 1.00 0.00 H new ATOM 618 N VAL A 635 184.763 -5.635 -0.112 1.00 0.00 N ATOM 619 CA VAL A 635 186.082 -5.947 0.394 1.00 0.00 C ATOM 620 C VAL A 635 186.530 -4.899 1.411 1.00 0.00 C ATOM 621 O VAL A 635 186.056 -3.763 1.396 1.00 0.00 O ATOM 622 CB VAL A 635 187.090 -6.045 -0.769 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.414 -5.386 -0.427 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.283 -7.497 -1.153 1.00 0.00 C ATOM 0 H VAL A 635 184.719 -4.780 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 635 186.041 -6.912 0.899 1.00 0.00 H new ATOM 0 HB VAL A 635 186.683 -5.503 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 635 189.095 -5.478 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.249 -4.331 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.850 -5.875 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.996 -7.564 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.664 -8.052 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.328 -7.921 -1.465 1.00 0.00 H new ATOM 634 N GLY A 636 187.447 -5.288 2.290 1.00 0.00 N ATOM 635 CA GLY A 636 187.944 -4.371 3.298 1.00 0.00 C ATOM 636 C GLY A 636 189.456 -4.261 3.286 1.00 0.00 C ATOM 637 O GLY A 636 190.153 -5.234 2.996 1.00 0.00 O ATOM 0 H GLY A 636 187.855 -6.222 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.510 -3.385 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.615 -4.704 4.282 1.00 0.00 H new ATOM 641 N GLY A 637 189.965 -3.074 3.601 1.00 0.00 N ATOM 642 CA GLY A 637 191.400 -2.864 3.619 1.00 0.00 C ATOM 643 C GLY A 637 191.970 -2.628 2.235 1.00 0.00 C ATOM 644 O GLY A 637 192.738 -3.443 1.723 1.00 0.00 O ATOM 0 H GLY A 637 189.409 -2.254 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.631 -2.009 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.885 -3.732 4.065 1.00 0.00 H new ATOM 648 N LYS A 638 191.595 -1.508 1.626 1.00 0.00 N ATOM 649 CA LYS A 638 192.072 -1.164 0.291 1.00 0.00 C ATOM 650 C LYS A 638 192.675 0.237 0.270 1.00 0.00 C ATOM 651 O LYS A 638 191.967 1.225 0.082 1.00 0.00 O ATOM 652 CB LYS A 638 190.929 -1.255 -0.721 1.00 0.00 C ATOM 653 CG LYS A 638 190.473 -2.678 -0.998 1.00 0.00 C ATOM 654 CD LYS A 638 191.367 -3.360 -2.020 1.00 0.00 C ATOM 655 CE LYS A 638 190.556 -4.190 -3.003 1.00 0.00 C ATOM 656 NZ LYS A 638 191.154 -4.175 -4.368 1.00 0.00 N ATOM 0 H LYS A 638 190.961 -0.822 2.036 1.00 0.00 H new ATOM 0 HA LYS A 638 192.849 -1.877 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.082 -0.676 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.246 -0.795 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.477 -3.250 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.445 -2.668 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 638 191.940 -2.608 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 638 192.085 -4.000 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 638 190.493 -5.218 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 638 189.537 -3.806 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 190.572 -4.752 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 191.191 -3.197 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 192.117 -4.565 -4.329 1.00 0.00 H new ATOM 763 N LEU A 645 192.505 3.460 4.035 1.00 0.00 N ATOM 764 CA LEU A 645 191.847 2.204 3.691 1.00 0.00 C ATOM 765 C LEU A 645 190.344 2.406 3.524 1.00 0.00 C ATOM 766 O LEU A 645 189.749 3.270 4.166 1.00 0.00 O ATOM 767 CB LEU A 645 192.118 1.150 4.766 1.00 0.00 C ATOM 768 CG LEU A 645 193.571 0.683 4.864 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.713 -0.405 5.916 1.00 0.00 C ATOM 770 CD2 LEU A 645 194.062 0.188 3.512 1.00 0.00 C ATOM 0 HA LEU A 645 192.256 1.856 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.816 1.553 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.486 0.283 4.571 1.00 0.00 H new ATOM 0 HG LEU A 645 194.186 1.531 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.754 -0.724 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.401 -0.017 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 645 193.086 -1.255 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 645 195.098 -0.141 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.443 -0.647 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 645 193.998 0.996 2.783 1.00 0.00 H new ATOM 782 N GLY A 646 189.737 1.602 2.657 1.00 0.00 N ATOM 783 CA GLY A 646 188.310 1.707 2.421 1.00 0.00 C ATOM 784 C GLY A 646 187.685 0.380 2.039 1.00 0.00 C ATOM 785 O GLY A 646 188.249 -0.681 2.309 1.00 0.00 O ATOM 0 H GLY A 646 190.209 0.879 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.824 2.089 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 646 188.129 2.432 1.628 1.00 0.00 H new ATOM 789 N ALA A 647 186.515 0.438 1.411 1.00 0.00 N ATOM 790 CA ALA A 647 185.812 -0.769 0.995 1.00 0.00 C ATOM 791 C ALA A 647 185.437 -0.709 -0.482 1.00 0.00 C ATOM 792 O ALA A 647 185.088 0.349 -1.004 1.00 0.00 O ATOM 793 CB ALA A 647 184.569 -0.976 1.847 1.00 0.00 C ATOM 0 H ALA A 647 186.035 1.307 1.179 1.00 0.00 H new ATOM 0 HA ALA A 647 186.484 -1.615 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.054 -1.881 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.858 -1.075 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.904 -0.120 1.734 1.00 0.00 H new ATOM 799 N PHE A 648 185.509 -1.856 -1.151 1.00 0.00 N ATOM 800 CA PHE A 648 185.177 -1.942 -2.569 1.00 0.00 C ATOM 801 C PHE A 648 184.283 -3.148 -2.842 1.00 0.00 C ATOM 802 O PHE A 648 184.448 -4.204 -2.231 1.00 0.00 O ATOM 803 CB PHE A 648 186.451 -2.038 -3.408 1.00 0.00 C ATOM 804 CG PHE A 648 187.185 -0.734 -3.539 1.00 0.00 C ATOM 805 CD1 PHE A 648 188.115 -0.348 -2.587 1.00 0.00 C ATOM 806 CD2 PHE A 648 186.945 0.105 -4.616 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.792 0.850 -2.706 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.619 1.305 -4.740 1.00 0.00 C ATOM 809 CZ PHE A 648 188.544 1.678 -3.783 1.00 0.00 C ATOM 0 H PHE A 648 185.795 -2.741 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 648 184.636 -1.038 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 648 187.116 -2.776 -2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.194 -2.402 -4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 648 188.313 -0.991 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 648 186.223 -0.182 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.515 1.139 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 648 187.423 1.950 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 648 189.072 2.615 -3.877 1.00 0.00 H new ATOM 819 N ILE A 649 183.337 -2.988 -3.761 1.00 0.00 N ATOM 820 CA ILE A 649 182.423 -4.069 -4.108 1.00 0.00 C ATOM 821 C ILE A 649 183.044 -4.996 -5.152 1.00 0.00 C ATOM 822 O ILE A 649 183.400 -4.563 -6.248 1.00 0.00 O ATOM 823 CB ILE A 649 181.079 -3.524 -4.638 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.374 -2.702 -3.556 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.183 -4.661 -5.108 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.451 -1.639 -4.114 1.00 0.00 C ATOM 0 H ILE A 649 183.184 -2.122 -4.278 1.00 0.00 H new ATOM 0 HA ILE A 649 182.234 -4.634 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 649 181.285 -2.877 -5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.799 -3.373 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 649 181.125 -2.226 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.242 -4.254 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.680 -5.209 -5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.985 -5.336 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.985 -1.095 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 649 180.024 -0.946 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.679 -2.110 -4.722 1.00 0.00 H new ATOM 838 N THR A 650 183.184 -6.269 -4.797 1.00 0.00 N ATOM 839 CA THR A 650 183.774 -7.254 -5.698 1.00 0.00 C ATOM 840 C THR A 650 182.756 -7.766 -6.718 1.00 0.00 C ATOM 841 O THR A 650 183.120 -8.117 -7.840 1.00 0.00 O ATOM 842 CB THR A 650 184.354 -8.429 -4.907 1.00 0.00 C ATOM 843 OG1 THR A 650 183.343 -9.366 -4.584 1.00 0.00 O ATOM 844 CG2 THR A 650 185.026 -8.013 -3.614 1.00 0.00 C ATOM 0 H THR A 650 182.897 -6.643 -3.892 1.00 0.00 H new ATOM 0 HA THR A 650 184.578 -6.757 -6.241 1.00 0.00 H new ATOM 0 HB THR A 650 185.106 -8.870 -5.561 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.753 -10.231 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.414 -8.895 -3.105 1.00 0.00 H new ATOM 0 HG22 THR A 650 185.847 -7.331 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 650 184.301 -7.513 -2.972 1.00 0.00 H new ATOM 852 N LYS A 651 181.485 -7.810 -6.328 1.00 0.00 N ATOM 853 CA LYS A 651 180.438 -8.288 -7.227 1.00 0.00 C ATOM 854 C LYS A 651 179.043 -8.000 -6.676 1.00 0.00 C ATOM 855 O LYS A 651 178.840 -7.941 -5.463 1.00 0.00 O ATOM 856 CB LYS A 651 180.602 -9.791 -7.482 1.00 0.00 C ATOM 857 CG LYS A 651 180.213 -10.665 -6.297 1.00 0.00 C ATOM 858 CD LYS A 651 180.280 -12.142 -6.652 1.00 0.00 C ATOM 859 CE LYS A 651 179.032 -12.594 -7.394 1.00 0.00 C ATOM 860 NZ LYS A 651 179.088 -14.039 -7.747 1.00 0.00 N ATOM 0 H LYS A 651 181.157 -7.524 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 651 180.542 -7.748 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.995 -10.072 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.640 -9.994 -7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.878 -10.460 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.204 -10.413 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 651 181.159 -12.330 -7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 651 180.397 -12.731 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 651 178.154 -12.405 -6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 651 178.916 -12.003 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 178.219 -14.307 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 179.911 -14.216 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 179.173 -14.605 -6.879 1.00 0.00 H new ATOM 874 N VAL A 652 178.087 -7.826 -7.584 1.00 0.00 N ATOM 875 CA VAL A 652 176.702 -7.547 -7.207 1.00 0.00 C ATOM 876 C VAL A 652 175.763 -8.618 -7.753 1.00 0.00 C ATOM 877 O VAL A 652 175.888 -9.040 -8.902 1.00 0.00 O ATOM 878 CB VAL A 652 176.227 -6.168 -7.721 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.199 -5.150 -6.594 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.104 -5.677 -8.863 1.00 0.00 C ATOM 0 H VAL A 652 178.246 -7.873 -8.590 1.00 0.00 H new ATOM 0 HA VAL A 652 176.674 -7.546 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 652 175.212 -6.287 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.862 -4.188 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.515 -5.488 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 652 177.200 -5.042 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.747 -4.705 -9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.133 -5.584 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.061 -6.389 -9.687 1.00 0.00 H new ATOM 890 N LYS A 653 174.818 -9.048 -6.924 1.00 0.00 N ATOM 891 CA LYS A 653 173.853 -10.062 -7.330 1.00 0.00 C ATOM 892 C LYS A 653 172.682 -9.425 -8.073 1.00 0.00 C ATOM 893 O LYS A 653 171.832 -8.773 -7.467 1.00 0.00 O ATOM 894 CB LYS A 653 173.344 -10.831 -6.109 1.00 0.00 C ATOM 895 CG LYS A 653 174.422 -11.638 -5.405 1.00 0.00 C ATOM 896 CD LYS A 653 173.980 -12.069 -4.013 1.00 0.00 C ATOM 897 CE LYS A 653 173.982 -13.582 -3.868 1.00 0.00 C ATOM 898 NZ LYS A 653 175.218 -14.074 -3.199 1.00 0.00 N ATOM 0 H LYS A 653 174.700 -8.711 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 653 174.353 -10.759 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 653 172.910 -10.125 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.544 -11.503 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 653 174.665 -12.519 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 653 175.332 -11.043 -5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 653 174.644 -11.631 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 653 172.980 -11.685 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 653 173.110 -13.893 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 653 173.895 -14.041 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 175.549 -14.939 -3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 175.957 -13.344 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 175.013 -14.283 -2.201 1.00 0.00 H new ATOM 912 N LYS A 654 172.647 -9.615 -9.388 1.00 0.00 N ATOM 913 CA LYS A 654 171.583 -9.054 -10.214 1.00 0.00 C ATOM 914 C LYS A 654 170.217 -9.574 -9.775 1.00 0.00 C ATOM 915 O LYS A 654 169.854 -10.714 -10.065 1.00 0.00 O ATOM 916 CB LYS A 654 171.822 -9.394 -11.687 1.00 0.00 C ATOM 917 CG LYS A 654 172.578 -8.315 -12.445 1.00 0.00 C ATOM 918 CD LYS A 654 173.499 -8.913 -13.496 1.00 0.00 C ATOM 919 CE LYS A 654 172.713 -9.620 -14.589 1.00 0.00 C ATOM 920 NZ LYS A 654 173.608 -10.269 -15.586 1.00 0.00 N ATOM 0 H LYS A 654 173.343 -10.153 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 654 171.594 -7.971 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 654 172.379 -10.329 -11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 654 170.861 -9.562 -12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 654 171.868 -7.640 -12.923 1.00 0.00 H new ATOM 0 HG3 LYS A 654 173.163 -7.719 -11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 654 174.109 -8.125 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 654 174.182 -9.619 -13.023 1.00 0.00 H new ATOM 0 HE2 LYS A 654 172.064 -10.372 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 654 172.067 -8.902 -15.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 173.033 -10.740 -16.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 174.210 -9.548 -16.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 174.207 -10.973 -15.109 1.00 0.00 H new ATOM 934 N GLY A 655 169.467 -8.731 -9.074 1.00 0.00 N ATOM 935 CA GLY A 655 168.151 -9.123 -8.605 1.00 0.00 C ATOM 936 C GLY A 655 167.996 -8.954 -7.106 1.00 0.00 C ATOM 937 O GLY A 655 166.878 -8.871 -6.597 1.00 0.00 O ATOM 0 H GLY A 655 169.747 -7.783 -8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.394 -8.527 -9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 655 167.969 -10.164 -8.871 1.00 0.00 H new ATOM 941 N SER A 656 169.120 -8.901 -6.397 1.00 0.00 N ATOM 942 CA SER A 656 169.103 -8.741 -4.949 1.00 0.00 C ATOM 943 C SER A 656 168.749 -7.309 -4.562 1.00 0.00 C ATOM 944 O SER A 656 168.626 -6.436 -5.420 1.00 0.00 O ATOM 945 CB SER A 656 170.460 -9.121 -4.359 1.00 0.00 C ATOM 946 OG SER A 656 170.735 -10.498 -4.552 1.00 0.00 O ATOM 0 H SER A 656 170.053 -8.967 -6.803 1.00 0.00 H new ATOM 0 HA SER A 656 168.339 -9.405 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 656 171.243 -8.522 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.474 -8.890 -3.294 1.00 0.00 H new ATOM 0 HG SER A 656 170.855 -10.933 -3.682 1.00 0.00 H new ATOM 952 N LEU A 657 168.583 -7.079 -3.264 1.00 0.00 N ATOM 953 CA LEU A 657 168.239 -5.757 -2.755 1.00 0.00 C ATOM 954 C LEU A 657 169.268 -4.712 -3.173 1.00 0.00 C ATOM 955 O LEU A 657 168.926 -3.677 -3.745 1.00 0.00 O ATOM 956 CB LEU A 657 168.128 -5.791 -1.229 1.00 0.00 C ATOM 957 CG LEU A 657 167.318 -6.961 -0.660 1.00 0.00 C ATOM 958 CD1 LEU A 657 168.180 -7.810 0.262 1.00 0.00 C ATOM 959 CD2 LEU A 657 166.091 -6.449 0.078 1.00 0.00 C ATOM 0 H LEU A 657 168.682 -7.794 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 657 167.277 -5.477 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 657 169.133 -5.827 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.675 -4.858 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 657 166.986 -7.585 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 657 167.587 -8.636 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 657 169.028 -8.206 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 657 168.543 -7.197 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.527 -7.293 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.403 -5.802 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.462 -5.884 -0.610 1.00 0.00 H new ATOM 971 N ALA A 658 170.530 -4.988 -2.870 1.00 0.00 N ATOM 972 CA ALA A 658 171.624 -4.074 -3.196 1.00 0.00 C ATOM 973 C ALA A 658 171.546 -3.586 -4.639 1.00 0.00 C ATOM 974 O ALA A 658 171.990 -2.483 -4.956 1.00 0.00 O ATOM 975 CB ALA A 658 172.963 -4.751 -2.948 1.00 0.00 C ATOM 0 H ALA A 658 170.825 -5.842 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 658 171.530 -3.204 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.770 -4.061 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 658 173.037 -5.037 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 658 173.042 -5.640 -3.573 1.00 0.00 H new ATOM 981 N ASP A 659 170.995 -4.416 -5.513 1.00 0.00 N ATOM 982 CA ASP A 659 170.878 -4.067 -6.925 1.00 0.00 C ATOM 983 C ASP A 659 169.590 -3.301 -7.212 1.00 0.00 C ATOM 984 O ASP A 659 169.612 -2.245 -7.845 1.00 0.00 O ATOM 985 CB ASP A 659 170.935 -5.329 -7.787 1.00 0.00 C ATOM 986 CG ASP A 659 171.567 -5.075 -9.142 1.00 0.00 C ATOM 987 OD1 ASP A 659 172.812 -5.129 -9.234 1.00 0.00 O ATOM 988 OD2 ASP A 659 170.819 -4.823 -10.109 1.00 0.00 O ATOM 0 H ASP A 659 170.622 -5.334 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 659 171.717 -3.418 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.502 -6.098 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.926 -5.716 -7.927 1.00 0.00 H new ATOM 993 N VAL A 660 168.471 -3.849 -6.762 1.00 0.00 N ATOM 994 CA VAL A 660 167.168 -3.227 -6.989 1.00 0.00 C ATOM 995 C VAL A 660 166.989 -1.943 -6.180 1.00 0.00 C ATOM 996 O VAL A 660 166.520 -0.935 -6.709 1.00 0.00 O ATOM 997 CB VAL A 660 166.004 -4.189 -6.667 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.729 -5.104 -7.850 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.292 -5.002 -5.412 1.00 0.00 C ATOM 0 H VAL A 660 168.435 -4.723 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 660 167.144 -2.979 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 660 165.113 -3.590 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.906 -5.776 -7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.463 -4.504 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.621 -5.689 -8.072 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.454 -5.670 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 660 167.198 -5.590 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.430 -4.329 -4.566 1.00 0.00 H new ATOM 1009 N VAL A 661 167.346 -1.979 -4.899 1.00 0.00 N ATOM 1010 CA VAL A 661 167.199 -0.805 -4.041 1.00 0.00 C ATOM 1011 C VAL A 661 168.514 -0.039 -3.895 1.00 0.00 C ATOM 1012 O VAL A 661 168.512 1.178 -3.714 1.00 0.00 O ATOM 1013 CB VAL A 661 166.670 -1.186 -2.642 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.643 -2.110 -1.926 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.402 0.061 -1.814 1.00 0.00 C ATOM 0 H VAL A 661 167.736 -2.799 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 661 166.471 -0.158 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 661 165.729 -1.722 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.247 -2.364 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 661 167.776 -3.021 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.604 -1.608 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.030 -0.228 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.326 0.627 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.658 0.679 -2.317 1.00 0.00 H new ATOM 1025 N GLY A 662 169.631 -0.753 -3.973 1.00 0.00 N ATOM 1026 CA GLY A 662 170.927 -0.111 -3.844 1.00 0.00 C ATOM 1027 C GLY A 662 171.387 0.524 -5.141 1.00 0.00 C ATOM 1028 O GLY A 662 171.713 1.710 -5.181 1.00 0.00 O ATOM 0 H GLY A 662 169.663 -1.761 -4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.876 0.652 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.664 -0.847 -3.521 1.00 0.00 H new ATOM 1032 N HIS A 663 171.408 -0.271 -6.207 1.00 0.00 N ATOM 1033 CA HIS A 663 171.820 0.211 -7.522 1.00 0.00 C ATOM 1034 C HIS A 663 173.311 0.549 -7.562 1.00 0.00 C ATOM 1035 O HIS A 663 173.691 1.709 -7.728 1.00 0.00 O ATOM 1036 CB HIS A 663 170.989 1.433 -7.927 1.00 0.00 C ATOM 1037 CG HIS A 663 169.969 1.138 -8.982 1.00 0.00 C ATOM 1038 ND1 HIS A 663 170.220 1.277 -10.331 1.00 0.00 N ATOM 1039 CD2 HIS A 663 168.689 0.708 -8.882 1.00 0.00 C ATOM 1040 CE1 HIS A 663 169.139 0.947 -11.014 1.00 0.00 C ATOM 1041 NE2 HIS A 663 168.196 0.597 -10.159 1.00 0.00 N ATOM 0 H HIS A 663 171.143 -1.256 -6.186 1.00 0.00 H new ATOM 0 HA HIS A 663 171.644 -0.594 -8.236 1.00 0.00 H new ATOM 0 HB2 HIS A 663 170.484 1.828 -7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.658 2.214 -8.288 1.00 0.00 H new ATOM 0 HD2 HIS A 663 168.155 0.492 -7.968 1.00 0.00 H new ATOM 0 HE1 HIS A 663 169.043 0.961 -12.090 1.00 0.00 H new ATOM 0 HE2 HIS A 663 167.254 0.293 -10.407 1.00 0.00 H new ATOM 1050 N LEU A 664 174.155 -0.472 -7.435 1.00 0.00 N ATOM 1051 CA LEU A 664 175.600 -0.280 -7.488 1.00 0.00 C ATOM 1052 C LEU A 664 176.254 -1.449 -8.211 1.00 0.00 C ATOM 1053 O LEU A 664 175.592 -2.430 -8.548 1.00 0.00 O ATOM 1054 CB LEU A 664 176.207 -0.108 -6.088 1.00 0.00 C ATOM 1055 CG LEU A 664 175.553 -0.915 -4.966 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.177 -0.362 -4.644 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.468 -2.384 -5.342 1.00 0.00 C ATOM 0 H LEU A 664 173.863 -1.439 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 664 175.793 0.640 -8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.262 -0.380 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.162 0.948 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 664 176.173 -0.828 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.727 -0.949 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.268 0.677 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.546 -0.416 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 664 175.000 -2.941 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.872 -2.494 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.471 -2.773 -5.518 1.00 0.00 H new ATOM 1069 N ARG A 665 177.550 -1.337 -8.458 1.00 0.00 N ATOM 1070 CA ARG A 665 178.281 -2.387 -9.155 1.00 0.00 C ATOM 1071 C ARG A 665 179.664 -2.587 -8.553 1.00 0.00 C ATOM 1072 O ARG A 665 180.172 -1.725 -7.836 1.00 0.00 O ATOM 1073 CB ARG A 665 178.407 -2.046 -10.642 1.00 0.00 C ATOM 1074 CG ARG A 665 177.095 -2.150 -11.404 1.00 0.00 C ATOM 1075 CD ARG A 665 176.916 -0.988 -12.367 1.00 0.00 C ATOM 1076 NE ARG A 665 177.704 -1.156 -13.586 1.00 0.00 N ATOM 1077 CZ ARG A 665 177.320 -1.896 -14.623 1.00 0.00 C ATOM 1078 NH1 ARG A 665 176.159 -2.541 -14.595 1.00 0.00 N ATOM 1079 NH2 ARG A 665 178.098 -1.992 -15.693 1.00 0.00 N ATOM 0 H ARG A 665 178.117 -0.533 -8.188 1.00 0.00 H new ATOM 0 HA ARG A 665 177.721 -3.316 -9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.796 -1.033 -10.742 1.00 0.00 H new ATOM 0 HB3 ARG A 665 179.137 -2.714 -11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 665 177.068 -3.089 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.264 -2.171 -10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 665 175.862 -0.893 -12.628 1.00 0.00 H new ATOM 0 HD3 ARG A 665 177.207 -0.061 -11.873 1.00 0.00 H new ATOM 0 HE ARG A 665 178.603 -0.677 -13.646 1.00 0.00 H new ATOM 0 HH11 ARG A 665 175.556 -2.471 -13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 665 175.870 -3.107 -15.393 1.00 0.00 H new ATOM 0 HH21 ARG A 665 178.990 -1.499 -15.721 1.00 0.00 H new ATOM 0 HH22 ARG A 665 177.804 -2.559 -16.488 1.00 0.00 H new ATOM 1093 N ALA A 666 180.271 -3.730 -8.852 1.00 0.00 N ATOM 1094 CA ALA A 666 181.597 -4.045 -8.342 1.00 0.00 C ATOM 1095 C ALA A 666 182.592 -2.955 -8.715 1.00 0.00 C ATOM 1096 O ALA A 666 182.760 -2.627 -9.889 1.00 0.00 O ATOM 1097 CB ALA A 666 182.062 -5.391 -8.871 1.00 0.00 C ATOM 0 H ALA A 666 179.864 -4.453 -9.445 1.00 0.00 H new ATOM 0 HA ALA A 666 181.541 -4.099 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 666 183.055 -5.612 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.366 -6.167 -8.553 1.00 0.00 H new ATOM 0 HB3 ALA A 666 182.099 -5.361 -9.960 1.00 0.00 H new ATOM 1103 N GLY A 667 183.241 -2.389 -7.706 1.00 0.00 N ATOM 1104 CA GLY A 667 184.203 -1.330 -7.942 1.00 0.00 C ATOM 1105 C GLY A 667 183.877 -0.083 -7.145 1.00 0.00 C ATOM 1106 O GLY A 667 184.756 0.732 -6.867 1.00 0.00 O ATOM 0 H GLY A 667 183.118 -2.645 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.201 -1.680 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.222 -1.087 -9.004 1.00 0.00 H new ATOM 1110 N ASP A 668 182.608 0.058 -6.771 1.00 0.00 N ATOM 1111 CA ASP A 668 182.165 1.210 -5.993 1.00 0.00 C ATOM 1112 C ASP A 668 182.861 1.238 -4.637 1.00 0.00 C ATOM 1113 O ASP A 668 183.061 0.197 -4.010 1.00 0.00 O ATOM 1114 CB ASP A 668 180.646 1.170 -5.806 1.00 0.00 C ATOM 1115 CG ASP A 668 179.934 2.213 -6.643 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.032 3.412 -6.308 1.00 0.00 O ATOM 1117 OD2 ASP A 668 179.278 1.832 -7.636 1.00 0.00 O ATOM 0 H ASP A 668 181.870 -0.610 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 668 182.429 2.117 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.276 0.180 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.408 1.328 -4.754 1.00 0.00 H new ATOM 1122 N GLU A 669 183.233 2.431 -4.194 1.00 0.00 N ATOM 1123 CA GLU A 669 183.914 2.591 -2.916 1.00 0.00 C ATOM 1124 C GLU A 669 182.944 3.032 -1.827 1.00 0.00 C ATOM 1125 O GLU A 669 182.450 4.161 -1.844 1.00 0.00 O ATOM 1126 CB GLU A 669 185.049 3.609 -3.047 1.00 0.00 C ATOM 1127 CG GLU A 669 186.133 3.455 -1.994 1.00 0.00 C ATOM 1128 CD GLU A 669 187.180 4.547 -2.074 1.00 0.00 C ATOM 1129 OE1 GLU A 669 186.914 5.663 -1.580 1.00 0.00 O ATOM 1130 OE2 GLU A 669 188.268 4.288 -2.631 1.00 0.00 O ATOM 0 H GLU A 669 183.075 3.302 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 669 184.329 1.624 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.499 3.513 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.633 4.614 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.677 3.465 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.615 2.485 -2.113 1.00 0.00 H new ATOM 1137 N VAL A 670 182.677 2.142 -0.877 1.00 0.00 N ATOM 1138 CA VAL A 670 181.770 2.450 0.222 1.00 0.00 C ATOM 1139 C VAL A 670 182.542 2.978 1.426 1.00 0.00 C ATOM 1140 O VAL A 670 183.210 2.220 2.128 1.00 0.00 O ATOM 1141 CB VAL A 670 180.944 1.215 0.648 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.217 1.466 1.965 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.952 0.834 -0.440 1.00 0.00 C ATOM 0 H VAL A 670 183.075 1.203 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 670 181.084 3.217 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 670 181.636 0.386 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.644 0.580 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.945 1.684 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.541 2.314 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.380 -0.037 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.273 1.667 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.491 0.599 -1.358 1.00 0.00 H new ATOM 1153 N LEU A 671 182.441 4.280 1.663 1.00 0.00 N ATOM 1154 CA LEU A 671 183.126 4.903 2.789 1.00 0.00 C ATOM 1155 C LEU A 671 182.285 4.816 4.061 1.00 0.00 C ATOM 1156 O LEU A 671 182.659 5.361 5.099 1.00 0.00 O ATOM 1157 CB LEU A 671 183.446 6.370 2.480 1.00 0.00 C ATOM 1158 CG LEU A 671 184.159 6.629 1.147 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.227 5.575 0.887 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.156 6.669 0.003 1.00 0.00 C ATOM 0 H LEU A 671 181.893 4.924 1.092 1.00 0.00 H new ATOM 0 HA LEU A 671 184.057 4.361 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.514 6.935 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.066 6.765 3.285 1.00 0.00 H new ATOM 0 HG LEU A 671 184.651 7.600 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.718 5.781 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 671 185.965 5.599 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.764 4.589 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.681 6.854 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.633 5.714 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.435 7.467 0.179 1.00 0.00 H new ATOM 1172 N GLU A 672 181.139 4.141 3.976 1.00 0.00 N ATOM 1173 CA GLU A 672 180.254 4.005 5.126 1.00 0.00 C ATOM 1174 C GLU A 672 179.462 2.702 5.077 1.00 0.00 C ATOM 1175 O GLU A 672 178.803 2.400 4.083 1.00 0.00 O ATOM 1176 CB GLU A 672 179.287 5.185 5.173 1.00 0.00 C ATOM 1177 CG GLU A 672 179.959 6.506 5.504 1.00 0.00 C ATOM 1178 CD GLU A 672 178.974 7.656 5.590 1.00 0.00 C ATOM 1179 OE1 GLU A 672 177.892 7.468 6.185 1.00 0.00 O ATOM 1180 OE2 GLU A 672 179.284 8.744 5.060 1.00 0.00 O ATOM 0 H GLU A 672 180.806 3.684 3.127 1.00 0.00 H new ATOM 0 HA GLU A 672 180.873 3.991 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.786 5.273 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.515 4.983 5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 672 180.487 6.413 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 672 180.707 6.729 4.743 1.00 0.00 H new ATOM 1187 N TRP A 673 179.521 1.942 6.164 1.00 0.00 N ATOM 1188 CA TRP A 673 178.798 0.678 6.263 1.00 0.00 C ATOM 1189 C TRP A 673 178.020 0.619 7.573 1.00 0.00 C ATOM 1190 O TRP A 673 178.611 0.622 8.654 1.00 0.00 O ATOM 1191 CB TRP A 673 179.767 -0.500 6.178 1.00 0.00 C ATOM 1192 CG TRP A 673 179.091 -1.811 5.915 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.434 -2.594 6.820 1.00 0.00 C ATOM 1194 CD2 TRP A 673 179.013 -2.496 4.660 1.00 0.00 C ATOM 1195 NE1 TRP A 673 177.956 -3.727 6.205 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.300 -3.691 4.879 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.478 -2.216 3.374 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 178.044 -4.602 3.854 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.223 -3.120 2.361 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.512 -4.302 2.608 1.00 0.00 C ATOM 0 H TRP A 673 180.065 2.180 6.994 1.00 0.00 H new ATOM 0 HA TRP A 673 178.097 0.614 5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.491 -0.308 5.386 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.326 -0.569 7.111 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.308 -2.358 7.866 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.431 -4.473 6.661 1.00 0.00 H new ATOM 0 HE3 TRP A 673 180.028 -1.308 3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.495 -5.513 4.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.577 -2.912 1.362 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.331 -4.990 1.795 1.00 0.00 H new ATOM 1211 N ASN A 674 176.697 0.571 7.476 1.00 0.00 N ATOM 1212 CA ASN A 674 175.846 0.520 8.659 1.00 0.00 C ATOM 1213 C ASN A 674 175.931 1.827 9.442 1.00 0.00 C ATOM 1214 O ASN A 674 175.899 1.832 10.672 1.00 0.00 O ATOM 1215 CB ASN A 674 176.240 -0.655 9.557 1.00 0.00 C ATOM 1216 CG ASN A 674 175.223 -0.914 10.651 1.00 0.00 C ATOM 1217 OD1 ASN A 674 175.441 -0.569 11.813 1.00 0.00 O ATOM 1218 ND2 ASN A 674 174.103 -1.526 10.284 1.00 0.00 N ATOM 0 H ASN A 674 176.190 0.566 6.591 1.00 0.00 H new ATOM 0 HA ASN A 674 174.817 0.378 8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.351 -1.552 8.948 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.212 -0.454 10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 674 173.382 -1.728 10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 674 173.964 -1.794 9.310 1.00 0.00 H new ATOM 1225 N GLY A 675 176.029 2.932 8.713 1.00 0.00 N ATOM 1226 CA GLY A 675 176.106 4.239 9.342 1.00 0.00 C ATOM 1227 C GLY A 675 177.417 4.481 10.071 1.00 0.00 C ATOM 1228 O GLY A 675 177.510 5.394 10.891 1.00 0.00 O ATOM 0 H GLY A 675 176.057 2.947 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 675 175.974 5.009 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.282 4.344 10.047 1.00 0.00 H new ATOM 1232 N LYS A 676 178.433 3.671 9.780 1.00 0.00 N ATOM 1233 CA LYS A 676 179.732 3.824 10.425 1.00 0.00 C ATOM 1234 C LYS A 676 180.783 4.275 9.425 1.00 0.00 C ATOM 1235 O LYS A 676 180.701 3.952 8.241 1.00 0.00 O ATOM 1236 CB LYS A 676 180.162 2.499 11.081 1.00 0.00 C ATOM 1237 CG LYS A 676 181.495 1.924 10.579 1.00 0.00 C ATOM 1238 CD LYS A 676 182.499 1.775 11.713 1.00 0.00 C ATOM 1239 CE LYS A 676 181.951 0.907 12.835 1.00 0.00 C ATOM 1240 NZ LYS A 676 183.039 0.291 13.645 1.00 0.00 N ATOM 0 H LYS A 676 178.381 2.907 9.106 1.00 0.00 H new ATOM 0 HA LYS A 676 179.640 4.589 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.233 2.651 12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.379 1.759 10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.322 0.953 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 676 181.907 2.577 9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.420 1.336 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 676 182.755 2.759 12.105 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.314 1.510 13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 676 181.324 0.122 12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 182.698 -0.597 14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 183.857 0.093 13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 183.322 0.946 14.402 1.00 0.00 H new ATOM 1254 N PRO A 677 181.808 5.003 9.891 1.00 0.00 N ATOM 1255 CA PRO A 677 182.879 5.451 9.024 1.00 0.00 C ATOM 1256 C PRO A 677 183.948 4.374 8.870 1.00 0.00 C ATOM 1257 O PRO A 677 184.573 3.955 9.844 1.00 0.00 O ATOM 1258 CB PRO A 677 183.431 6.657 9.777 1.00 0.00 C ATOM 1259 CG PRO A 677 183.221 6.329 11.220 1.00 0.00 C ATOM 1260 CD PRO A 677 182.014 5.422 11.290 1.00 0.00 C ATOM 0 HA PRO A 677 182.548 5.681 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.487 6.813 9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 677 182.908 7.572 9.498 1.00 0.00 H new ATOM 0 HG2 PRO A 677 184.100 5.836 11.636 1.00 0.00 H new ATOM 0 HG3 PRO A 677 183.058 7.236 11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.193 4.567 11.942 1.00 0.00 H new ATOM 0 HD3 PRO A 677 181.143 5.945 11.683 1.00 0.00 H new ATOM 1268 N LEU A 678 184.144 3.935 7.639 1.00 0.00 N ATOM 1269 CA LEU A 678 185.126 2.904 7.327 1.00 0.00 C ATOM 1270 C LEU A 678 186.505 3.491 7.004 1.00 0.00 C ATOM 1271 O LEU A 678 187.523 2.897 7.359 1.00 0.00 O ATOM 1272 CB LEU A 678 184.638 2.049 6.157 1.00 0.00 C ATOM 1273 CG LEU A 678 183.223 1.488 6.314 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.715 0.938 4.988 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.191 0.413 7.396 1.00 0.00 C ATOM 0 H LEU A 678 183.630 4.280 6.828 1.00 0.00 H new ATOM 0 HA LEU A 678 185.235 2.284 8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.676 2.648 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.330 1.218 6.020 1.00 0.00 H new ATOM 0 HG LEU A 678 182.562 2.299 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.707 0.544 5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.698 1.736 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.375 0.140 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.177 0.025 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 678 183.865 -0.399 7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.508 0.843 8.346 1.00 0.00 H new ATOM 1287 N PRO A 679 186.575 4.657 6.323 1.00 0.00 N ATOM 1288 CA PRO A 679 187.854 5.282 5.970 1.00 0.00 C ATOM 1289 C PRO A 679 188.874 5.211 7.101 1.00 0.00 C ATOM 1290 O PRO A 679 188.695 5.820 8.156 1.00 0.00 O ATOM 1291 CB PRO A 679 187.456 6.727 5.683 1.00 0.00 C ATOM 1292 CG PRO A 679 186.080 6.619 5.127 1.00 0.00 C ATOM 1293 CD PRO A 679 185.431 5.458 5.840 1.00 0.00 C ATOM 0 HA PRO A 679 188.343 4.783 5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.474 7.333 6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.138 7.195 4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.520 7.540 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.107 6.450 4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.803 5.795 6.664 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.794 4.882 5.169 1.00 0.00 H new ATOM 1301 N GLY A 680 189.942 4.456 6.870 1.00 0.00 N ATOM 1302 CA GLY A 680 190.977 4.303 7.874 1.00 0.00 C ATOM 1303 C GLY A 680 191.014 2.905 8.464 1.00 0.00 C ATOM 1304 O GLY A 680 191.989 2.526 9.113 1.00 0.00 O ATOM 0 H GLY A 680 190.109 3.946 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 680 191.946 4.532 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.813 5.026 8.673 1.00 0.00 H new ATOM 1308 N ALA A 681 189.952 2.134 8.237 1.00 0.00 N ATOM 1309 CA ALA A 681 189.875 0.772 8.750 1.00 0.00 C ATOM 1310 C ALA A 681 190.352 -0.235 7.707 1.00 0.00 C ATOM 1311 O ALA A 681 190.084 -0.083 6.515 1.00 0.00 O ATOM 1312 CB ALA A 681 188.451 0.455 9.184 1.00 0.00 C ATOM 0 H ALA A 681 189.136 2.431 7.702 1.00 0.00 H new ATOM 0 HA ALA A 681 190.533 0.695 9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.405 -0.565 9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 681 188.146 1.149 9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.780 0.553 8.331 1.00 0.00 H new ATOM 1318 N THR A 682 191.061 -1.262 8.164 1.00 0.00 N ATOM 1319 CA THR A 682 191.576 -2.294 7.271 1.00 0.00 C ATOM 1320 C THR A 682 190.574 -3.436 7.123 1.00 0.00 C ATOM 1321 O THR A 682 189.461 -3.368 7.645 1.00 0.00 O ATOM 1322 CB THR A 682 192.912 -2.825 7.795 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.353 -3.933 7.030 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.855 -3.258 9.242 1.00 0.00 C ATOM 0 H THR A 682 191.292 -1.402 9.148 1.00 0.00 H new ATOM 0 HA THR A 682 191.732 -1.850 6.288 1.00 0.00 H new ATOM 0 HB THR A 682 193.606 -1.989 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 682 194.209 -4.254 7.383 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.834 -3.624 9.551 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.572 -2.410 9.865 1.00 0.00 H new ATOM 0 HG23 THR A 682 192.118 -4.053 9.355 1.00 0.00 H new ATOM 1332 N ASN A 683 190.973 -4.480 6.405 1.00 0.00 N ATOM 1333 CA ASN A 683 190.112 -5.637 6.179 1.00 0.00 C ATOM 1334 C ASN A 683 189.517 -6.156 7.487 1.00 0.00 C ATOM 1335 O ASN A 683 188.318 -6.421 7.569 1.00 0.00 O ATOM 1336 CB ASN A 683 190.896 -6.755 5.487 1.00 0.00 C ATOM 1337 CG ASN A 683 192.074 -7.233 6.313 1.00 0.00 C ATOM 1338 OD1 ASN A 683 191.919 -8.039 7.231 1.00 0.00 O ATOM 1339 ND2 ASN A 683 193.263 -6.736 5.990 1.00 0.00 N ATOM 0 H ASN A 683 191.892 -4.549 5.967 1.00 0.00 H new ATOM 0 HA ASN A 683 189.292 -5.318 5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 683 190.229 -7.595 5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 683 191.254 -6.399 4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 683 194.093 -7.020 6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 683 193.346 -6.070 5.222 1.00 0.00 H new ATOM 1346 N GLU A 684 190.360 -6.302 8.504 1.00 0.00 N ATOM 1347 CA GLU A 684 189.907 -6.796 9.801 1.00 0.00 C ATOM 1348 C GLU A 684 188.925 -5.828 10.442 1.00 0.00 C ATOM 1349 O GLU A 684 187.938 -6.245 11.049 1.00 0.00 O ATOM 1350 CB GLU A 684 191.098 -7.032 10.731 1.00 0.00 C ATOM 1351 CG GLU A 684 192.001 -5.818 10.884 1.00 0.00 C ATOM 1352 CD GLU A 684 192.935 -5.935 12.073 1.00 0.00 C ATOM 1353 OE1 GLU A 684 194.028 -6.519 11.914 1.00 0.00 O ATOM 1354 OE2 GLU A 684 192.576 -5.441 13.162 1.00 0.00 O ATOM 0 H GLU A 684 191.356 -6.087 8.457 1.00 0.00 H new ATOM 0 HA GLU A 684 189.395 -7.744 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 684 190.728 -7.326 11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 684 191.687 -7.866 10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 684 192.589 -5.690 9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 684 191.387 -4.924 10.995 1.00 0.00 H new ATOM 1361 N GLU A 685 189.186 -4.537 10.293 1.00 0.00 N ATOM 1362 CA GLU A 685 188.303 -3.524 10.850 1.00 0.00 C ATOM 1363 C GLU A 685 186.932 -3.638 10.202 1.00 0.00 C ATOM 1364 O GLU A 685 185.937 -3.911 10.873 1.00 0.00 O ATOM 1365 CB GLU A 685 188.880 -2.125 10.629 1.00 0.00 C ATOM 1366 CG GLU A 685 190.038 -1.791 11.556 1.00 0.00 C ATOM 1367 CD GLU A 685 189.967 -0.373 12.089 1.00 0.00 C ATOM 1368 OE1 GLU A 685 188.982 -0.049 12.785 1.00 0.00 O ATOM 1369 OE2 GLU A 685 190.898 0.412 11.811 1.00 0.00 O ATOM 0 H GLU A 685 189.996 -4.169 9.795 1.00 0.00 H new ATOM 0 HA GLU A 685 188.210 -3.686 11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.216 -2.039 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 685 188.089 -1.388 10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 685 190.042 -2.490 12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 685 190.978 -1.928 11.021 1.00 0.00 H new ATOM 1376 N VAL A 686 186.898 -3.455 8.885 1.00 0.00 N ATOM 1377 CA VAL A 686 185.663 -3.558 8.119 1.00 0.00 C ATOM 1378 C VAL A 686 184.888 -4.817 8.502 1.00 0.00 C ATOM 1379 O VAL A 686 183.667 -4.783 8.656 1.00 0.00 O ATOM 1380 CB VAL A 686 185.954 -3.579 6.604 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.680 -3.814 5.807 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.628 -2.285 6.174 1.00 0.00 C ATOM 0 H VAL A 686 187.720 -3.233 8.324 1.00 0.00 H new ATOM 0 HA VAL A 686 185.059 -2.682 8.354 1.00 0.00 H new ATOM 0 HB VAL A 686 186.634 -4.406 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.914 -3.824 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 686 184.244 -4.771 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.968 -3.015 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.826 -2.317 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.974 -1.442 6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.568 -2.168 6.714 1.00 0.00 H new ATOM 1392 N TYR A 687 185.607 -5.925 8.653 1.00 0.00 N ATOM 1393 CA TYR A 687 184.987 -7.195 9.016 1.00 0.00 C ATOM 1394 C TYR A 687 184.072 -7.030 10.226 1.00 0.00 C ATOM 1395 O TYR A 687 182.953 -7.539 10.242 1.00 0.00 O ATOM 1396 CB TYR A 687 186.058 -8.252 9.311 1.00 0.00 C ATOM 1397 CG TYR A 687 186.867 -8.680 8.099 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.409 -8.451 6.805 1.00 0.00 C ATOM 1399 CD2 TYR A 687 188.092 -9.316 8.255 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.149 -8.843 5.705 1.00 0.00 C ATOM 1401 CE2 TYR A 687 188.836 -9.711 7.159 1.00 0.00 C ATOM 1402 CZ TYR A 687 188.361 -9.472 5.888 1.00 0.00 C ATOM 1403 OH TYR A 687 189.100 -9.864 4.796 1.00 0.00 O ATOM 0 H TYR A 687 186.619 -5.969 8.530 1.00 0.00 H new ATOM 0 HA TYR A 687 184.385 -7.527 8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 687 186.739 -7.861 10.067 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.576 -9.131 9.740 1.00 0.00 H new ATOM 0 HD1 TYR A 687 185.459 -7.959 6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 687 188.469 -9.505 9.249 1.00 0.00 H new ATOM 0 HE1 TYR A 687 186.779 -8.657 4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 687 189.786 -10.205 7.299 1.00 0.00 H new ATOM 0 HH TYR A 687 189.928 -10.291 5.098 1.00 0.00 H new ATOM 1413 N ASN A 688 184.557 -6.312 11.230 1.00 0.00 N ATOM 1414 CA ASN A 688 183.784 -6.074 12.445 1.00 0.00 C ATOM 1415 C ASN A 688 182.541 -5.238 12.150 1.00 0.00 C ATOM 1416 O ASN A 688 181.460 -5.511 12.670 1.00 0.00 O ATOM 1417 CB ASN A 688 184.645 -5.371 13.495 1.00 0.00 C ATOM 1418 CG ASN A 688 185.428 -6.349 14.349 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.019 -6.689 15.460 1.00 0.00 O ATOM 1420 ND2 ASN A 688 186.564 -6.808 13.835 1.00 0.00 N ATOM 0 H ASN A 688 185.483 -5.883 11.229 1.00 0.00 H new ATOM 0 HA ASN A 688 183.465 -7.041 12.833 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.337 -4.692 12.998 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.007 -4.763 14.136 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.134 -7.468 14.365 1.00 0.00 H new ATOM 0 HD22 ASN A 688 186.866 -6.501 12.911 1.00 0.00 H new ATOM 1427 N ILE A 689 182.705 -4.216 11.315 1.00 0.00 N ATOM 1428 CA ILE A 689 181.601 -3.336 10.952 1.00 0.00 C ATOM 1429 C ILE A 689 180.466 -4.114 10.292 1.00 0.00 C ATOM 1430 O ILE A 689 179.369 -4.220 10.841 1.00 0.00 O ATOM 1431 CB ILE A 689 182.073 -2.215 9.999 1.00 0.00 C ATOM 1432 CG1 ILE A 689 182.979 -1.234 10.744 1.00 0.00 C ATOM 1433 CG2 ILE A 689 180.888 -1.479 9.385 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.446 -1.591 10.671 1.00 0.00 C ATOM 0 H ILE A 689 183.594 -3.977 10.877 1.00 0.00 H new ATOM 0 HA ILE A 689 181.233 -2.888 11.875 1.00 0.00 H new ATOM 0 HB ILE A 689 182.639 -2.676 9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 689 182.836 -0.235 10.332 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.675 -1.194 11.790 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.251 -0.696 8.719 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.277 -2.182 8.819 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.287 -1.032 10.177 1.00 0.00 H new ATOM 0 HD11 ILE A 689 185.028 -0.852 11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.603 -2.576 11.110 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.766 -1.603 9.629 1.00 0.00 H new ATOM 1446 N ILE A 690 180.735 -4.646 9.105 1.00 0.00 N ATOM 1447 CA ILE A 690 179.738 -5.403 8.358 1.00 0.00 C ATOM 1448 C ILE A 690 179.136 -6.527 9.201 1.00 0.00 C ATOM 1449 O ILE A 690 177.918 -6.616 9.348 1.00 0.00 O ATOM 1450 CB ILE A 690 180.339 -5.987 7.067 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.010 -4.867 6.259 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.261 -6.688 6.248 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.194 -5.181 4.789 1.00 0.00 C ATOM 0 H ILE A 690 181.638 -4.566 8.638 1.00 0.00 H new ATOM 0 HA ILE A 690 178.942 -4.706 8.095 1.00 0.00 H new ATOM 0 HB ILE A 690 181.095 -6.729 7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.413 -3.960 6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 690 181.985 -4.653 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.702 -7.095 5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 690 178.827 -7.498 6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.482 -5.973 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.675 -4.337 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 690 181.818 -6.068 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.222 -5.364 4.332 1.00 0.00 H new ATOM 1465 N LEU A 691 179.993 -7.380 9.758 1.00 0.00 N ATOM 1466 CA LEU A 691 179.530 -8.490 10.588 1.00 0.00 C ATOM 1467 C LEU A 691 178.576 -8.001 11.669 1.00 0.00 C ATOM 1468 O LEU A 691 177.481 -8.536 11.840 1.00 0.00 O ATOM 1469 CB LEU A 691 180.718 -9.208 11.229 1.00 0.00 C ATOM 1470 CG LEU A 691 181.410 -10.249 10.346 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.381 -9.828 8.882 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.841 -10.468 10.809 1.00 0.00 C ATOM 0 H LEU A 691 181.006 -7.325 9.651 1.00 0.00 H new ATOM 0 HA LEU A 691 178.995 -9.190 9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.454 -8.462 11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.376 -9.699 12.140 1.00 0.00 H new ATOM 0 HG LEU A 691 180.866 -11.189 10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.879 -10.585 8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.347 -9.723 8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.896 -8.874 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.320 -11.211 10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.391 -9.529 10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.840 -10.821 11.840 1.00 0.00 H new ATOM 1484 N GLU A 692 178.998 -6.976 12.392 1.00 0.00 N ATOM 1485 CA GLU A 692 178.182 -6.403 13.455 1.00 0.00 C ATOM 1486 C GLU A 692 176.825 -5.958 12.915 1.00 0.00 C ATOM 1487 O GLU A 692 175.843 -5.889 13.654 1.00 0.00 O ATOM 1488 CB GLU A 692 178.902 -5.216 14.096 1.00 0.00 C ATOM 1489 CG GLU A 692 179.842 -5.612 15.224 1.00 0.00 C ATOM 1490 CD GLU A 692 179.120 -5.812 16.542 1.00 0.00 C ATOM 1491 OE1 GLU A 692 178.938 -4.818 17.276 1.00 0.00 O ATOM 1492 OE2 GLU A 692 178.735 -6.962 16.838 1.00 0.00 O ATOM 0 H GLU A 692 179.902 -6.522 12.263 1.00 0.00 H new ATOM 0 HA GLU A 692 178.020 -7.171 14.211 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.470 -4.689 13.329 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.160 -4.516 14.481 1.00 0.00 H new ATOM 0 HG2 GLU A 692 180.360 -6.533 14.954 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.604 -4.842 15.345 1.00 0.00 H new ATOM 1499 N SER A 693 176.781 -5.654 11.620 1.00 0.00 N ATOM 1500 CA SER A 693 175.549 -5.214 10.976 1.00 0.00 C ATOM 1501 C SER A 693 174.813 -6.379 10.313 1.00 0.00 C ATOM 1502 O SER A 693 173.662 -6.237 9.901 1.00 0.00 O ATOM 1503 CB SER A 693 175.853 -4.134 9.936 1.00 0.00 C ATOM 1504 OG SER A 693 174.719 -3.870 9.127 1.00 0.00 O ATOM 0 H SER A 693 177.587 -5.705 10.996 1.00 0.00 H new ATOM 0 HA SER A 693 174.901 -4.802 11.750 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.166 -3.219 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 693 176.685 -4.453 9.308 1.00 0.00 H new ATOM 0 HG SER A 693 174.039 -4.559 9.281 1.00 0.00 H new ATOM 1510 N LYS A 694 175.476 -7.531 10.213 1.00 0.00 N ATOM 1511 CA LYS A 694 174.863 -8.704 9.600 1.00 0.00 C ATOM 1512 C LYS A 694 173.599 -9.113 10.351 1.00 0.00 C ATOM 1513 O LYS A 694 172.698 -9.729 9.781 1.00 0.00 O ATOM 1514 CB LYS A 694 175.848 -9.874 9.565 1.00 0.00 C ATOM 1515 CG LYS A 694 176.719 -9.902 8.321 1.00 0.00 C ATOM 1516 CD LYS A 694 177.069 -11.326 7.918 1.00 0.00 C ATOM 1517 CE LYS A 694 178.373 -11.783 8.554 1.00 0.00 C ATOM 1518 NZ LYS A 694 178.146 -12.813 9.607 1.00 0.00 N ATOM 0 H LYS A 694 176.429 -7.675 10.546 1.00 0.00 H new ATOM 0 HA LYS A 694 174.592 -8.441 8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 694 176.489 -9.824 10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 694 175.291 -10.809 9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 694 176.199 -9.408 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 694 177.634 -9.339 8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 694 176.263 -11.997 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 694 177.151 -11.388 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 694 179.030 -12.189 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 694 178.885 -10.925 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 179.059 -13.098 10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 177.540 -12.418 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 177.681 -13.643 9.187 1.00 0.00 H new ATOM 1532 N SER A 695 173.539 -8.766 11.634 1.00 0.00 N ATOM 1533 CA SER A 695 172.384 -9.098 12.462 1.00 0.00 C ATOM 1534 C SER A 695 171.365 -7.959 12.481 1.00 0.00 C ATOM 1535 O SER A 695 170.288 -8.094 13.060 1.00 0.00 O ATOM 1536 CB SER A 695 172.832 -9.416 13.890 1.00 0.00 C ATOM 1537 OG SER A 695 172.055 -10.463 14.446 1.00 0.00 O ATOM 0 H SER A 695 174.275 -8.256 12.122 1.00 0.00 H new ATOM 0 HA SER A 695 171.905 -9.976 12.028 1.00 0.00 H new ATOM 0 HB2 SER A 695 173.884 -9.700 13.890 1.00 0.00 H new ATOM 0 HB3 SER A 695 172.743 -8.524 14.510 1.00 0.00 H new ATOM 0 HG SER A 695 172.361 -10.649 15.358 1.00 0.00 H new ATOM 1543 N GLU A 696 171.707 -6.837 11.849 1.00 0.00 N ATOM 1544 CA GLU A 696 170.813 -5.689 11.803 1.00 0.00 C ATOM 1545 C GLU A 696 169.793 -5.840 10.674 1.00 0.00 C ATOM 1546 O GLU A 696 170.165 -6.069 9.523 1.00 0.00 O ATOM 1547 CB GLU A 696 171.617 -4.400 11.614 1.00 0.00 C ATOM 1548 CG GLU A 696 171.668 -3.528 12.859 1.00 0.00 C ATOM 1549 CD GLU A 696 171.066 -2.155 12.635 1.00 0.00 C ATOM 1550 OE1 GLU A 696 171.170 -1.638 11.503 1.00 0.00 O ATOM 1551 OE2 GLU A 696 170.490 -1.596 13.593 1.00 0.00 O ATOM 0 H GLU A 696 172.594 -6.702 11.364 1.00 0.00 H new ATOM 0 HA GLU A 696 170.275 -5.637 12.749 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.634 -4.656 11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 696 171.181 -3.826 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 696 171.135 -4.026 13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 696 172.704 -3.418 13.179 1.00 0.00 H new ATOM 1558 N PRO A 697 168.489 -5.716 10.985 1.00 0.00 N ATOM 1559 CA PRO A 697 167.425 -5.843 9.982 1.00 0.00 C ATOM 1560 C PRO A 697 167.557 -4.826 8.849 1.00 0.00 C ATOM 1561 O PRO A 697 166.919 -4.964 7.806 1.00 0.00 O ATOM 1562 CB PRO A 697 166.140 -5.583 10.777 1.00 0.00 C ATOM 1563 CG PRO A 697 166.504 -5.835 12.198 1.00 0.00 C ATOM 1564 CD PRO A 697 167.948 -5.445 12.328 1.00 0.00 C ATOM 0 HA PRO A 697 167.453 -6.818 9.495 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.789 -4.561 10.635 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.336 -6.244 10.453 1.00 0.00 H new ATOM 0 HG2 PRO A 697 165.879 -5.249 12.871 1.00 0.00 H new ATOM 0 HG3 PRO A 697 166.357 -6.883 12.459 1.00 0.00 H new ATOM 0 HD2 PRO A 697 168.059 -4.396 12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 697 168.457 -6.031 13.093 1.00 0.00 H new ATOM 1572 N GLN A 698 168.383 -3.803 9.057 1.00 0.00 N ATOM 1573 CA GLN A 698 168.583 -2.770 8.046 1.00 0.00 C ATOM 1574 C GLN A 698 170.024 -2.271 8.045 1.00 0.00 C ATOM 1575 O GLN A 698 170.726 -2.363 9.052 1.00 0.00 O ATOM 1576 CB GLN A 698 167.628 -1.600 8.291 1.00 0.00 C ATOM 1577 CG GLN A 698 167.126 -0.945 7.015 1.00 0.00 C ATOM 1578 CD GLN A 698 166.034 0.073 7.273 1.00 0.00 C ATOM 1579 OE1 GLN A 698 164.903 -0.283 7.607 1.00 0.00 O ATOM 1580 NE2 GLN A 698 166.365 1.350 7.120 1.00 0.00 N ATOM 0 H GLN A 698 168.922 -3.668 9.913 1.00 0.00 H new ATOM 0 HA GLN A 698 168.373 -3.209 7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.774 -1.954 8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 698 168.134 -0.850 8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 698 167.959 -0.458 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 698 166.749 -1.714 6.340 1.00 0.00 H new ATOM 0 HE21 GLN A 698 167.314 1.601 6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 698 165.671 2.080 7.280 1.00 0.00 H new ATOM 1589 N VAL A 699 170.459 -1.742 6.905 1.00 0.00 N ATOM 1590 CA VAL A 699 171.817 -1.228 6.766 1.00 0.00 C ATOM 1591 C VAL A 699 171.843 0.037 5.915 1.00 0.00 C ATOM 1592 O VAL A 699 171.004 0.227 5.035 1.00 0.00 O ATOM 1593 CB VAL A 699 172.756 -2.278 6.134 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.127 -1.678 5.841 1.00 0.00 C ATOM 1595 CG2 VAL A 699 172.882 -3.493 7.040 1.00 0.00 C ATOM 0 H VAL A 699 169.889 -1.658 6.063 1.00 0.00 H new ATOM 0 HA VAL A 699 172.169 -0.994 7.771 1.00 0.00 H new ATOM 0 HB VAL A 699 172.321 -2.598 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.769 -2.438 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 699 174.018 -0.844 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.575 -1.323 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.547 -4.223 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.290 -3.188 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 699 171.899 -3.940 7.188 1.00 0.00 H new ATOM 1605 N GLU A 700 172.824 0.892 6.181 1.00 0.00 N ATOM 1606 CA GLU A 700 172.985 2.136 5.441 1.00 0.00 C ATOM 1607 C GLU A 700 174.421 2.269 4.947 1.00 0.00 C ATOM 1608 O GLU A 700 175.337 2.500 5.735 1.00 0.00 O ATOM 1609 CB GLU A 700 172.619 3.332 6.322 1.00 0.00 C ATOM 1610 CG GLU A 700 172.781 4.674 5.626 1.00 0.00 C ATOM 1611 CD GLU A 700 172.051 5.794 6.341 1.00 0.00 C ATOM 1612 OE1 GLU A 700 170.915 5.560 6.807 1.00 0.00 O ATOM 1613 OE2 GLU A 700 172.615 6.904 6.438 1.00 0.00 O ATOM 0 H GLU A 700 173.523 0.744 6.909 1.00 0.00 H new ATOM 0 HA GLU A 700 172.315 2.119 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.586 3.226 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.243 3.318 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.841 4.920 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 700 172.409 4.597 4.605 1.00 0.00 H new ATOM 1620 N ILE A 701 174.616 2.113 3.641 1.00 0.00 N ATOM 1621 CA ILE A 701 175.948 2.208 3.058 1.00 0.00 C ATOM 1622 C ILE A 701 176.072 3.408 2.131 1.00 0.00 C ATOM 1623 O ILE A 701 175.177 3.689 1.334 1.00 0.00 O ATOM 1624 CB ILE A 701 176.332 0.932 2.278 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.097 0.300 1.628 1.00 0.00 C ATOM 1626 CG2 ILE A 701 177.024 -0.056 3.203 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.380 -1.014 0.928 1.00 0.00 C ATOM 0 H ILE A 701 173.872 1.921 2.970 1.00 0.00 H new ATOM 0 HA ILE A 701 176.634 2.329 3.897 1.00 0.00 H new ATOM 0 HB ILE A 701 177.025 1.205 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.338 0.137 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.678 1.002 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.291 -0.953 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.926 0.399 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.352 -0.324 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.458 -1.400 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.115 -0.855 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.770 -1.733 1.648 1.00 0.00 H new ATOM 1639 N ILE A 702 177.194 4.109 2.244 1.00 0.00 N ATOM 1640 CA ILE A 702 177.454 5.283 1.421 1.00 0.00 C ATOM 1641 C ILE A 702 178.656 5.049 0.516 1.00 0.00 C ATOM 1642 O ILE A 702 179.609 4.379 0.904 1.00 0.00 O ATOM 1643 CB ILE A 702 177.707 6.531 2.290 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.721 6.580 3.464 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.604 7.795 1.451 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.267 6.470 3.049 1.00 0.00 C ATOM 0 H ILE A 702 177.941 3.883 2.901 1.00 0.00 H new ATOM 0 HA ILE A 702 176.568 5.454 0.810 1.00 0.00 H new ATOM 0 HB ILE A 702 178.717 6.469 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.954 5.770 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.864 7.514 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.785 8.666 2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.346 7.764 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.607 7.863 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.632 6.512 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 702 175.016 7.295 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.107 5.524 2.532 1.00 0.00 H new ATOM 1658 N VAL A 703 178.606 5.601 -0.693 1.00 0.00 N ATOM 1659 CA VAL A 703 179.697 5.436 -1.646 1.00 0.00 C ATOM 1660 C VAL A 703 180.144 6.772 -2.228 1.00 0.00 C ATOM 1661 O VAL A 703 179.591 7.822 -1.904 1.00 0.00 O ATOM 1662 CB VAL A 703 179.293 4.503 -2.800 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.253 3.060 -2.329 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.951 4.919 -3.381 1.00 0.00 C ATOM 0 H VAL A 703 177.826 6.163 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 703 180.526 4.994 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 703 180.043 4.584 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.965 2.414 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.239 2.768 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.526 2.960 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.683 4.247 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.188 4.870 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.019 5.939 -3.760 1.00 0.00 H new ATOM 1674 N SER A 704 181.154 6.717 -3.092 1.00 0.00 N ATOM 1675 CA SER A 704 181.686 7.917 -3.727 1.00 0.00 C ATOM 1676 C SER A 704 182.080 7.636 -5.173 1.00 0.00 C ATOM 1677 O SER A 704 182.984 6.843 -5.438 1.00 0.00 O ATOM 1678 CB SER A 704 182.895 8.438 -2.949 1.00 0.00 C ATOM 1679 OG SER A 704 183.865 7.420 -2.771 1.00 0.00 O ATOM 0 H SER A 704 181.620 5.853 -3.368 1.00 0.00 H new ATOM 0 HA SER A 704 180.905 8.678 -3.722 1.00 0.00 H new ATOM 0 HB2 SER A 704 183.339 9.279 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 704 182.572 8.811 -1.977 1.00 0.00 H new ATOM 0 HG SER A 704 183.951 6.902 -3.598 1.00 0.00 H new ATOM 1741 N GLY B 945 186.200 -10.049 0.547 1.00 0.00 N ATOM 1742 CA GLY B 945 186.386 -9.670 1.934 1.00 0.00 C ATOM 1743 C GLY B 945 185.209 -10.052 2.812 1.00 0.00 C ATOM 1744 O GLY B 945 185.386 -10.673 3.861 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.289 -10.145 2.318 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.543 -8.593 1.993 1.00 0.00 H new ATOM 1748 N ILE B 946 184.006 -9.677 2.389 1.00 0.00 N ATOM 1749 CA ILE B 946 182.800 -9.981 3.151 1.00 0.00 C ATOM 1750 C ILE B 946 181.612 -10.209 2.232 1.00 0.00 C ATOM 1751 O ILE B 946 181.601 -9.756 1.088 1.00 0.00 O ATOM 1752 CB ILE B 946 182.443 -8.857 4.145 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.705 -8.129 4.605 1.00 0.00 C ATOM 1754 CG2 ILE B 946 181.692 -9.426 5.341 1.00 0.00 C ATOM 1755 CD1 ILE B 946 183.411 -6.959 5.507 1.00 0.00 C ATOM 0 H ILE B 946 183.840 -9.163 1.524 1.00 0.00 H new ATOM 0 HA ILE B 946 183.016 -10.892 3.710 1.00 0.00 H new ATOM 0 HB ILE B 946 181.797 -8.140 3.639 1.00 0.00 H new ATOM 0 HG12 ILE B 946 184.353 -8.832 5.129 1.00 0.00 H new ATOM 0 HG13 ILE B 946 184.255 -7.779 3.732 1.00 0.00 H new ATOM 0 HG21 ILE B 946 181.447 -8.621 6.034 1.00 0.00 H new ATOM 0 HG22 ILE B 946 180.773 -9.904 5.000 1.00 0.00 H new ATOM 0 HG23 ILE B 946 182.317 -10.162 5.847 1.00 0.00 H new ATOM 0 HD11 ILE B 946 184.346 -6.482 5.801 1.00 0.00 H new ATOM 0 HD12 ILE B 946 182.787 -6.239 4.977 1.00 0.00 H new ATOM 0 HD13 ILE B 946 182.887 -7.308 6.397 1.00 0.00 H new ATOM 1767 N TRP B 947 180.612 -10.911 2.744 1.00 0.00 N ATOM 1768 CA TRP B 947 179.412 -11.199 1.974 1.00 0.00 C ATOM 1769 C TRP B 947 178.287 -10.246 2.346 1.00 0.00 C ATOM 1770 O TRP B 947 177.909 -10.137 3.513 1.00 0.00 O ATOM 1771 CB TRP B 947 178.972 -12.650 2.181 1.00 0.00 C ATOM 1772 CG TRP B 947 179.239 -13.518 0.987 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.873 -14.727 0.976 1.00 0.00 C ATOM 1774 CD2 TRP B 947 178.884 -13.238 -0.375 1.00 0.00 C ATOM 1775 NE1 TRP B 947 179.934 -15.216 -0.307 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.334 -14.321 -1.154 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.230 -12.179 -1.011 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 179.149 -14.372 -2.535 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.046 -12.232 -2.380 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.505 -13.322 -3.129 1.00 0.00 C ATOM 0 H TRP B 947 180.608 -11.292 3.690 1.00 0.00 H new ATOM 0 HA TRP B 947 179.647 -11.056 0.919 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.491 -13.062 3.046 1.00 0.00 H new ATOM 0 HB3 TRP B 947 177.906 -12.672 2.409 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.269 -15.226 1.848 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.357 -16.102 -0.584 1.00 0.00 H new ATOM 0 HE3 TRP B 947 177.874 -11.333 -0.442 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.502 -15.212 -3.115 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.540 -11.419 -2.880 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.347 -13.334 -4.197 1.00 0.00 H new ATOM 1791 N ALA B 948 177.755 -9.558 1.342 1.00 0.00 N ATOM 1792 CA ALA B 948 176.668 -8.616 1.548 1.00 0.00 C ATOM 1793 C ALA B 948 175.722 -8.625 0.352 1.00 0.00 C ATOM 1794 O ALA B 948 175.231 -7.544 -0.027 1.00 0.00 O ATOM 1795 CB ALA B 948 177.220 -7.218 1.791 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.487 -9.711 -0.211 1.00 0.00 O ATOM 0 H ALA B 948 178.063 -9.638 0.373 1.00 0.00 H new ATOM 0 HA ALA B 948 176.104 -8.920 2.430 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.395 -6.522 1.944 1.00 0.00 H new ATOM 0 HB2 ALA B 948 177.856 -7.227 2.676 1.00 0.00 H new ATOM 0 HB3 ALA B 948 177.805 -6.903 0.927 1.00 0.00 H new