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= -1.02 K(o=-4.1,f=-0.41) USER MOD Set 1.2: A 693 SER OG : rot -28:sc= -3.1! USER MOD Set 2.1: A 682 THR OG1 : rot -82:sc= 0.344! USER MOD Set 2.2: A 683 ASN : amide:sc= 0.116 K(o=0.46,f=-6.2!) USER MOD Single : A 617 ASN : amide:sc= -2.5 K(o=-2.5,f=-4.4!) USER MOD Single : A 618 LYS NZ :NH3+ -170:sc= -1.58 (180deg=-1.89) USER MOD Single : A 633 LYS NZ :NH3+ 149:sc= -1.54 (180deg=-2.9!) USER MOD Single : A 638 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 THR OG1 : rot 143:sc= -2.31 USER MOD Single : A 651 LYS NZ :NH3+ 178:sc= -0.0654 (180deg=-0.0696) 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 -61:sc= -0.357 USER MOD Single : A 663 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.084) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 TYR OH : rot -48:sc= 1.24 USER MOD Single : A 688 ASN : amide:sc= 1.06 K(o=1.1,f=-0.0032) USER MOD Single : A 694 LYS NZ :NH3+ 150:sc= -0.0264 (180deg=-0.406) USER MOD Single : A 695 SER OG : rot 180:sc= 0 USER MOD Single : A 698 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 704 SER OG : rot 171:sc= -5.42! USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.331 9.644 -2.588 1.00 0.00 N ATOM 248 CA GLY A 612 174.976 9.148 -2.429 1.00 0.00 C ATOM 249 C GLY A 612 174.813 8.279 -1.200 1.00 0.00 C ATOM 250 O GLY A 612 175.793 7.784 -0.647 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.289 9.992 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.697 8.576 -3.314 1.00 0.00 H new ATOM 254 N ARG A 613 173.568 8.083 -0.778 1.00 0.00 N ATOM 255 CA ARG A 613 173.274 7.257 0.388 1.00 0.00 C ATOM 256 C ARG A 613 172.499 6.014 -0.027 1.00 0.00 C ATOM 257 O ARG A 613 171.450 6.114 -0.663 1.00 0.00 O ATOM 258 CB ARG A 613 172.475 8.055 1.420 1.00 0.00 C ATOM 259 CG ARG A 613 172.153 7.271 2.681 1.00 0.00 C ATOM 260 CD ARG A 613 170.930 7.833 3.389 1.00 0.00 C ATOM 261 NE ARG A 613 171.144 9.205 3.845 1.00 0.00 N ATOM 262 CZ ARG A 613 170.406 9.799 4.780 1.00 0.00 C ATOM 263 NH1 ARG A 613 169.408 9.146 5.363 1.00 0.00 N ATOM 264 NH2 ARG A 613 170.668 11.050 5.135 1.00 0.00 N ATOM 0 H ARG A 613 172.745 8.486 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 613 174.217 6.949 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 613 173.038 8.948 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 613 171.544 8.392 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 613 171.979 6.226 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 613 173.009 7.297 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 613 170.075 7.805 2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 613 170.683 7.202 4.242 1.00 0.00 H new ATOM 0 HE ARG A 613 171.903 9.739 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 613 169.203 8.183 5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 613 168.846 9.607 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 613 171.435 11.556 4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 613 170.103 11.506 5.851 1.00 0.00 H new ATOM 278 N VAL A 614 173.021 4.840 0.319 1.00 0.00 N ATOM 279 CA VAL A 614 172.367 3.593 -0.045 1.00 0.00 C ATOM 280 C VAL A 614 171.989 2.777 1.183 1.00 0.00 C ATOM 281 O VAL A 614 172.811 2.546 2.066 1.00 0.00 O ATOM 282 CB VAL A 614 173.263 2.737 -0.960 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.515 1.506 -1.448 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.767 3.562 -2.135 1.00 0.00 C ATOM 0 H VAL A 614 173.887 4.729 0.846 1.00 0.00 H new ATOM 0 HA VAL A 614 171.458 3.865 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 614 174.124 2.402 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.167 0.916 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.209 0.904 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.633 1.815 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.398 2.942 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.919 3.928 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.346 4.408 -1.764 1.00 0.00 H new ATOM 294 N ILE A 615 170.740 2.331 1.222 1.00 0.00 N ATOM 295 CA ILE A 615 170.251 1.524 2.330 1.00 0.00 C ATOM 296 C ILE A 615 169.941 0.110 1.857 1.00 0.00 C ATOM 297 O ILE A 615 169.223 -0.080 0.875 1.00 0.00 O ATOM 298 CB ILE A 615 168.989 2.136 2.965 1.00 0.00 C ATOM 299 CG1 ILE A 615 169.208 3.621 3.264 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.623 1.384 4.236 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.119 4.505 2.040 1.00 0.00 C ATOM 0 H ILE A 615 170.047 2.516 0.497 1.00 0.00 H new ATOM 0 HA ILE A 615 171.037 1.497 3.084 1.00 0.00 H new ATOM 0 HB ILE A 615 168.164 2.046 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.467 3.949 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 615 170.188 3.750 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.729 1.826 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.431 0.338 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.447 1.448 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 615 169.284 5.543 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.878 4.204 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 615 168.131 4.406 1.591 1.00 0.00 H new ATOM 313 N LEU A 616 170.495 -0.880 2.546 1.00 0.00 N ATOM 314 CA LEU A 616 170.280 -2.274 2.175 1.00 0.00 C ATOM 315 C LEU A 616 169.842 -3.109 3.373 1.00 0.00 C ATOM 316 O LEU A 616 170.406 -3.000 4.459 1.00 0.00 O ATOM 317 CB LEU A 616 171.555 -2.854 1.563 1.00 0.00 C ATOM 318 CG LEU A 616 171.537 -2.960 0.039 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.904 -3.358 -0.492 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.481 -3.958 -0.402 1.00 0.00 C ATOM 0 H LEU A 616 171.094 -0.745 3.361 1.00 0.00 H new ATOM 0 HA LEU A 616 169.479 -2.307 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.400 -2.234 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.724 -3.846 1.981 1.00 0.00 H new ATOM 0 HG LEU A 616 171.288 -1.982 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.866 -3.427 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.640 -2.608 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 616 173.188 -4.325 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.476 -4.026 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.706 -4.937 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.502 -3.629 -0.055 1.00 0.00 H new ATOM 332 N ASN A 617 168.832 -3.947 3.162 1.00 0.00 N ATOM 333 CA ASN A 617 168.315 -4.805 4.220 1.00 0.00 C ATOM 334 C ASN A 617 168.707 -6.257 3.978 1.00 0.00 C ATOM 335 O ASN A 617 168.759 -6.712 2.837 1.00 0.00 O ATOM 336 CB ASN A 617 166.793 -4.684 4.295 1.00 0.00 C ATOM 337 CG ASN A 617 166.346 -3.448 5.051 1.00 0.00 C ATOM 338 OD1 ASN A 617 166.853 -2.350 4.822 1.00 0.00 O ATOM 339 ND2 ASN A 617 165.392 -3.622 5.957 1.00 0.00 N ATOM 0 H ASN A 617 168.355 -4.050 2.266 1.00 0.00 H new ATOM 0 HA ASN A 617 168.749 -4.482 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.384 -4.656 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 617 166.385 -5.570 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 617 165.050 -2.827 6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 617 165.001 -4.551 6.113 1.00 0.00 H new ATOM 346 N LYS A 618 168.990 -6.982 5.055 1.00 0.00 N ATOM 347 CA LYS A 618 169.382 -8.383 4.947 1.00 0.00 C ATOM 348 C LYS A 618 168.244 -9.306 5.376 1.00 0.00 C ATOM 349 O LYS A 618 168.084 -10.400 4.835 1.00 0.00 O ATOM 350 CB LYS A 618 170.624 -8.665 5.803 1.00 0.00 C ATOM 351 CG LYS A 618 171.508 -7.447 6.033 1.00 0.00 C ATOM 352 CD LYS A 618 172.573 -7.724 7.083 1.00 0.00 C ATOM 353 CE LYS A 618 173.903 -8.091 6.445 1.00 0.00 C ATOM 354 NZ LYS A 618 174.785 -6.902 6.281 1.00 0.00 N ATOM 0 H LYS A 618 168.956 -6.624 6.010 1.00 0.00 H new ATOM 0 HA LYS A 618 169.617 -8.580 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.305 -9.057 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 618 171.215 -9.444 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.985 -7.160 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 618 170.894 -6.604 6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 618 172.701 -6.844 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 618 172.243 -8.536 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 618 174.408 -8.836 7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.725 -8.549 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 175.605 -7.156 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 174.253 -6.136 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 175.113 -6.582 7.214 1.00 0.00 H new ATOM 516 N LEU A 629 173.147 -12.234 2.206 1.00 0.00 N ATOM 517 CA LEU A 629 173.095 -11.098 3.123 1.00 0.00 C ATOM 518 C LEU A 629 172.118 -10.034 2.615 1.00 0.00 C ATOM 519 O LEU A 629 170.950 -10.026 2.998 1.00 0.00 O ATOM 520 CB LEU A 629 174.492 -10.491 3.332 1.00 0.00 C ATOM 521 CG LEU A 629 175.683 -11.427 3.082 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.539 -12.724 3.860 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.857 -11.711 1.597 1.00 0.00 C ATOM 0 HA LEU A 629 172.737 -11.463 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.592 -9.627 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.555 -10.122 4.356 1.00 0.00 H new ATOM 0 HG LEU A 629 176.578 -10.917 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 629 176.398 -13.365 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.489 -12.505 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.627 -13.234 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.708 -12.376 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.955 -12.185 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 629 176.033 -10.776 1.066 1.00 0.00 H new ATOM 535 N LEU A 630 172.595 -9.148 1.742 1.00 0.00 N ATOM 536 CA LEU A 630 171.753 -8.096 1.178 1.00 0.00 C ATOM 537 C LEU A 630 171.708 -8.224 -0.343 1.00 0.00 C ATOM 538 O LEU A 630 170.635 -8.377 -0.925 1.00 0.00 O ATOM 539 CB LEU A 630 172.249 -6.701 1.589 1.00 0.00 C ATOM 540 CG LEU A 630 173.710 -6.633 2.028 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.279 -5.234 1.836 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.857 -7.074 3.474 1.00 0.00 C ATOM 0 H LEU A 630 173.560 -9.138 1.411 1.00 0.00 H new ATOM 0 HA LEU A 630 170.745 -8.216 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 630 172.107 -6.021 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.624 -6.336 2.404 1.00 0.00 H new ATOM 0 HG LEU A 630 174.279 -7.317 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.320 -5.218 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 630 174.220 -4.958 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.705 -4.523 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.905 -7.018 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 630 173.266 -6.421 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.505 -8.100 3.579 1.00 0.00 H new ATOM 554 N GLY A 631 172.879 -8.181 -0.988 1.00 0.00 N ATOM 555 CA GLY A 631 172.915 -8.318 -2.436 1.00 0.00 C ATOM 556 C GLY A 631 174.171 -7.758 -3.087 1.00 0.00 C ATOM 557 O GLY A 631 174.125 -7.323 -4.238 1.00 0.00 O ATOM 0 H GLY A 631 173.787 -8.056 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.827 -9.374 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.045 -7.815 -2.859 1.00 0.00 H new ATOM 561 N LEU A 632 175.294 -7.756 -2.369 1.00 0.00 N ATOM 562 CA LEU A 632 176.536 -7.230 -2.923 1.00 0.00 C ATOM 563 C LEU A 632 177.756 -7.748 -2.156 1.00 0.00 C ATOM 564 O LEU A 632 177.666 -8.098 -0.986 1.00 0.00 O ATOM 565 CB LEU A 632 176.479 -5.697 -2.917 1.00 0.00 C ATOM 566 CG LEU A 632 177.615 -4.967 -2.195 1.00 0.00 C ATOM 567 CD1 LEU A 632 177.563 -3.494 -2.536 1.00 0.00 C ATOM 568 CD2 LEU A 632 177.518 -5.154 -0.690 1.00 0.00 C ATOM 0 H LEU A 632 175.367 -8.108 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 632 176.643 -7.579 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 632 176.458 -5.354 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.536 -5.394 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 632 178.564 -5.389 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 632 178.371 -2.973 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 632 177.675 -3.366 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 632 176.606 -3.081 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 632 178.338 -4.625 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 632 176.568 -4.756 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 632 177.579 -6.216 -0.451 1.00 0.00 H new ATOM 580 N LYS A 633 178.901 -7.787 -2.822 1.00 0.00 N ATOM 581 CA LYS A 633 180.132 -8.249 -2.187 1.00 0.00 C ATOM 582 C LYS A 633 181.121 -7.095 -2.085 1.00 0.00 C ATOM 583 O LYS A 633 181.420 -6.441 -3.081 1.00 0.00 O ATOM 584 CB LYS A 633 180.744 -9.409 -2.976 1.00 0.00 C ATOM 585 CG LYS A 633 181.004 -10.648 -2.131 1.00 0.00 C ATOM 586 CD LYS A 633 182.468 -11.063 -2.172 1.00 0.00 C ATOM 587 CE LYS A 633 182.631 -12.490 -2.671 1.00 0.00 C ATOM 588 NZ LYS A 633 181.804 -12.754 -3.882 1.00 0.00 N ATOM 0 H LYS A 633 179.006 -7.506 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 633 179.898 -8.608 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 633 180.076 -9.672 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.682 -9.080 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 633 180.710 -10.453 -1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 633 180.383 -11.469 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 633 183.021 -10.384 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 633 182.900 -10.974 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 633 183.680 -12.677 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 633 182.349 -13.185 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 182.280 -13.459 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 180.873 -13.116 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 181.682 -11.871 -4.418 1.00 0.00 H new ATOM 602 N VAL A 634 181.609 -6.833 -0.876 1.00 0.00 N ATOM 603 CA VAL A 634 182.541 -5.735 -0.663 1.00 0.00 C ATOM 604 C VAL A 634 183.884 -6.209 -0.131 1.00 0.00 C ATOM 605 O VAL A 634 183.994 -7.267 0.486 1.00 0.00 O ATOM 606 CB VAL A 634 181.956 -4.688 0.309 1.00 0.00 C ATOM 607 CG1 VAL A 634 183.056 -3.859 0.963 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.974 -3.791 -0.424 1.00 0.00 C ATOM 0 H VAL A 634 181.376 -7.362 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 634 182.700 -5.280 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 634 181.429 -5.218 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.609 -3.132 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.722 -4.515 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.624 -3.336 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.566 -3.055 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.487 -3.278 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.163 -4.395 -0.831 1.00 0.00 H new ATOM 618 N VAL A 635 184.901 -5.396 -0.381 1.00 0.00 N ATOM 619 CA VAL A 635 186.250 -5.689 0.060 1.00 0.00 C ATOM 620 C VAL A 635 186.836 -4.508 0.824 1.00 0.00 C ATOM 621 O VAL A 635 186.872 -3.391 0.315 1.00 0.00 O ATOM 622 CB VAL A 635 187.144 -6.037 -1.145 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.489 -5.328 -1.078 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.323 -7.534 -1.222 1.00 0.00 C ATOM 0 H VAL A 635 184.811 -4.519 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 635 186.211 -6.548 0.729 1.00 0.00 H new ATOM 0 HB VAL A 635 186.651 -5.686 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 635 189.088 -5.601 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.332 -4.249 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 635 189.012 -5.625 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.956 -7.781 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.793 -7.892 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.350 -8.011 -1.341 1.00 0.00 H new ATOM 634 N GLY A 636 187.297 -4.765 2.041 1.00 0.00 N ATOM 635 CA GLY A 636 187.877 -3.710 2.850 1.00 0.00 C ATOM 636 C GLY A 636 189.362 -3.901 3.078 1.00 0.00 C ATOM 637 O GLY A 636 189.911 -4.966 2.792 1.00 0.00 O ATOM 0 H GLY A 636 187.280 -5.684 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.708 -2.749 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.367 -3.673 3.813 1.00 0.00 H new ATOM 641 N GLY A 637 190.016 -2.866 3.596 1.00 0.00 N ATOM 642 CA GLY A 637 191.441 -2.943 3.856 1.00 0.00 C ATOM 643 C GLY A 637 192.268 -2.896 2.585 1.00 0.00 C ATOM 644 O GLY A 637 193.396 -3.389 2.554 1.00 0.00 O ATOM 0 H GLY A 637 189.584 -1.975 3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.733 -2.118 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.659 -3.866 4.394 1.00 0.00 H new ATOM 648 N LYS A 638 191.708 -2.302 1.537 1.00 0.00 N ATOM 649 CA LYS A 638 192.403 -2.194 0.260 1.00 0.00 C ATOM 650 C LYS A 638 193.238 -0.920 0.205 1.00 0.00 C ATOM 651 O LYS A 638 192.749 0.137 -0.195 1.00 0.00 O ATOM 652 CB LYS A 638 191.400 -2.213 -0.894 1.00 0.00 C ATOM 653 CG LYS A 638 190.986 -3.613 -1.317 1.00 0.00 C ATOM 654 CD LYS A 638 192.133 -4.356 -1.981 1.00 0.00 C ATOM 655 CE LYS A 638 192.069 -5.848 -1.695 1.00 0.00 C ATOM 656 NZ LYS A 638 192.475 -6.658 -2.877 1.00 0.00 N ATOM 0 H LYS A 638 190.776 -1.888 1.547 1.00 0.00 H new ATOM 0 HA LYS A 638 193.071 -3.050 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.512 -1.653 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.834 -1.697 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.645 -4.172 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 638 190.143 -3.552 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 638 192.101 -4.189 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 638 193.082 -3.956 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 638 192.719 -6.084 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 638 191.055 -6.118 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 192.418 -7.669 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 191.839 -6.452 -3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 193.452 -6.419 -3.143 1.00 0.00 H new ATOM 763 N LEU A 645 192.871 3.261 3.693 1.00 0.00 N ATOM 764 CA LEU A 645 192.118 2.026 3.513 1.00 0.00 C ATOM 765 C LEU A 645 190.643 2.318 3.259 1.00 0.00 C ATOM 766 O LEU A 645 190.080 3.258 3.821 1.00 0.00 O ATOM 767 CB LEU A 645 192.265 1.126 4.742 1.00 0.00 C ATOM 768 CG LEU A 645 193.663 0.543 4.963 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.637 -0.493 6.076 1.00 0.00 C ATOM 770 CD2 LEU A 645 194.200 -0.068 3.677 1.00 0.00 C ATOM 0 HA LEU A 645 192.524 1.510 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.984 1.698 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.556 0.303 4.656 1.00 0.00 H new ATOM 0 HG LEU A 645 194.329 1.353 5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.639 -0.897 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.298 -0.025 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 645 192.955 -1.300 5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 645 195.195 -0.477 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.534 -0.865 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 645 194.257 0.700 2.905 1.00 0.00 H new ATOM 782 N GLY A 646 190.023 1.507 2.409 1.00 0.00 N ATOM 783 CA GLY A 646 188.618 1.696 2.094 1.00 0.00 C ATOM 784 C GLY A 646 187.920 0.396 1.744 1.00 0.00 C ATOM 785 O GLY A 646 188.449 -0.688 1.992 1.00 0.00 O ATOM 0 H GLY A 646 190.467 0.722 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 646 188.117 2.155 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 646 188.527 2.390 1.258 1.00 0.00 H new ATOM 789 N ALA A 647 186.727 0.505 1.166 1.00 0.00 N ATOM 790 CA ALA A 647 185.952 -0.669 0.780 1.00 0.00 C ATOM 791 C ALA A 647 185.596 -0.633 -0.704 1.00 0.00 C ATOM 792 O ALA A 647 185.291 0.429 -1.248 1.00 0.00 O ATOM 793 CB ALA A 647 184.690 -0.768 1.623 1.00 0.00 C ATOM 0 H ALA A 647 186.276 1.395 0.955 1.00 0.00 H new ATOM 0 HA ALA A 647 186.567 -1.551 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.121 -1.649 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.961 -0.851 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 647 184.082 0.124 1.474 1.00 0.00 H new ATOM 799 N PHE A 648 185.635 -1.793 -1.359 1.00 0.00 N ATOM 800 CA PHE A 648 185.312 -1.869 -2.781 1.00 0.00 C ATOM 801 C PHE A 648 184.423 -3.073 -3.078 1.00 0.00 C ATOM 802 O PHE A 648 184.657 -4.168 -2.572 1.00 0.00 O ATOM 803 CB PHE A 648 186.594 -1.948 -3.613 1.00 0.00 C ATOM 804 CG PHE A 648 187.375 -0.665 -3.636 1.00 0.00 C ATOM 805 CD1 PHE A 648 186.934 0.417 -4.380 1.00 0.00 C ATOM 806 CD2 PHE A 648 188.550 -0.543 -2.913 1.00 0.00 C ATOM 807 CE1 PHE A 648 187.651 1.598 -4.402 1.00 0.00 C ATOM 808 CE2 PHE A 648 189.272 0.636 -2.931 1.00 0.00 C ATOM 809 CZ PHE A 648 188.822 1.708 -3.677 1.00 0.00 C ATOM 0 H PHE A 648 185.885 -2.685 -0.931 1.00 0.00 H new ATOM 0 HA PHE A 648 184.766 -0.965 -3.051 1.00 0.00 H new ATOM 0 HB2 PHE A 648 187.227 -2.742 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.337 -2.226 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 648 186.020 0.337 -4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 648 188.906 -1.378 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 648 187.296 2.435 -4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 648 190.187 0.719 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 648 189.384 2.630 -3.693 1.00 0.00 H new ATOM 819 N ILE A 649 183.402 -2.862 -3.903 1.00 0.00 N ATOM 820 CA ILE A 649 182.481 -3.933 -4.264 1.00 0.00 C ATOM 821 C ILE A 649 183.099 -4.868 -5.300 1.00 0.00 C ATOM 822 O ILE A 649 183.474 -4.442 -6.392 1.00 0.00 O ATOM 823 CB ILE A 649 181.152 -3.366 -4.807 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.488 -2.483 -3.750 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.215 -4.491 -5.232 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.492 -1.501 -4.324 1.00 0.00 C ATOM 0 H ILE A 649 183.192 -1.961 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 649 182.277 -4.500 -3.356 1.00 0.00 H new ATOM 0 HB ILE A 649 181.368 -2.759 -5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.982 -3.118 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 649 181.259 -1.933 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.285 -4.067 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.689 -5.083 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 649 180.000 -5.129 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 649 179.060 -0.908 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.997 -0.841 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.700 -2.045 -4.839 1.00 0.00 H new ATOM 838 N THR A 650 183.210 -6.144 -4.942 1.00 0.00 N ATOM 839 CA THR A 650 183.794 -7.141 -5.836 1.00 0.00 C ATOM 840 C THR A 650 182.764 -7.676 -6.828 1.00 0.00 C ATOM 841 O THR A 650 183.110 -8.036 -7.953 1.00 0.00 O ATOM 842 CB THR A 650 184.396 -8.298 -5.032 1.00 0.00 C ATOM 843 OG1 THR A 650 183.409 -9.266 -4.724 1.00 0.00 O ATOM 844 CG2 THR A 650 185.033 -7.862 -3.730 1.00 0.00 C ATOM 0 H THR A 650 182.904 -6.512 -4.041 1.00 0.00 H new ATOM 0 HA THR A 650 184.586 -6.650 -6.402 1.00 0.00 H new ATOM 0 HB THR A 650 185.172 -8.715 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.803 -10.162 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.438 -8.732 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 650 185.837 -7.156 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 650 184.283 -7.383 -3.100 1.00 0.00 H new ATOM 852 N LYS A 651 181.500 -7.733 -6.414 1.00 0.00 N ATOM 853 CA LYS A 651 180.444 -8.233 -7.291 1.00 0.00 C ATOM 854 C LYS A 651 179.053 -7.996 -6.703 1.00 0.00 C ATOM 855 O LYS A 651 178.865 -8.002 -5.487 1.00 0.00 O ATOM 856 CB LYS A 651 180.648 -9.727 -7.568 1.00 0.00 C ATOM 857 CG LYS A 651 180.273 -10.632 -6.403 1.00 0.00 C ATOM 858 CD LYS A 651 180.404 -12.100 -6.774 1.00 0.00 C ATOM 859 CE LYS A 651 179.142 -12.622 -7.442 1.00 0.00 C ATOM 860 NZ LYS A 651 178.089 -12.969 -6.447 1.00 0.00 N ATOM 0 H LYS A 651 181.185 -7.443 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 651 180.507 -7.678 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 651 180.055 -10.008 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.693 -9.898 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.914 -10.413 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.249 -10.424 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 651 181.253 -12.232 -7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 651 180.611 -12.685 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 651 178.757 -11.869 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 651 179.384 -13.503 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 177.233 -13.289 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 178.434 -13.730 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 177.863 -12.131 -5.874 1.00 0.00 H new ATOM 874 N VAL A 652 178.082 -7.795 -7.590 1.00 0.00 N ATOM 875 CA VAL A 652 176.696 -7.562 -7.190 1.00 0.00 C ATOM 876 C VAL A 652 175.778 -8.626 -7.783 1.00 0.00 C ATOM 877 O VAL A 652 175.913 -8.994 -8.949 1.00 0.00 O ATOM 878 CB VAL A 652 176.186 -6.169 -7.635 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.106 -5.215 -6.452 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.066 -5.590 -8.733 1.00 0.00 C ATOM 0 H VAL A 652 178.231 -7.789 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 652 176.676 -7.611 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 652 175.181 -6.296 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.745 -4.244 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.420 -5.617 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 652 177.096 -5.100 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.685 -4.612 -9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.087 -5.486 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.057 -6.256 -9.595 1.00 0.00 H new ATOM 890 N LYS A 653 174.837 -9.111 -6.979 1.00 0.00 N ATOM 891 CA LYS A 653 173.894 -10.124 -7.437 1.00 0.00 C ATOM 892 C LYS A 653 172.749 -9.481 -8.215 1.00 0.00 C ATOM 893 O LYS A 653 171.873 -8.841 -7.633 1.00 0.00 O ATOM 894 CB LYS A 653 173.341 -10.915 -6.250 1.00 0.00 C ATOM 895 CG LYS A 653 172.691 -12.232 -6.645 1.00 0.00 C ATOM 896 CD LYS A 653 171.209 -12.054 -6.940 1.00 0.00 C ATOM 897 CE LYS A 653 170.597 -13.328 -7.502 1.00 0.00 C ATOM 898 NZ LYS A 653 170.327 -14.335 -6.439 1.00 0.00 N ATOM 0 H LYS A 653 174.708 -8.820 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 653 174.425 -10.808 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 653 174.151 -11.115 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.609 -10.301 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 653 173.192 -12.637 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 653 172.819 -12.958 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 653 170.686 -11.770 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 653 171.074 -11.239 -7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 653 169.667 -13.087 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 653 171.270 -13.757 -8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 169.910 -15.187 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 171.218 -14.586 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 169.664 -13.937 -5.744 1.00 0.00 H new ATOM 912 N LYS A 654 172.765 -9.652 -9.533 1.00 0.00 N ATOM 913 CA LYS A 654 171.730 -9.084 -10.393 1.00 0.00 C ATOM 914 C LYS A 654 170.342 -9.546 -9.962 1.00 0.00 C ATOM 915 O LYS A 654 169.934 -10.671 -10.249 1.00 0.00 O ATOM 916 CB LYS A 654 171.978 -9.474 -11.852 1.00 0.00 C ATOM 917 CG LYS A 654 171.939 -10.974 -12.097 1.00 0.00 C ATOM 918 CD LYS A 654 172.824 -11.371 -13.266 1.00 0.00 C ATOM 919 CE LYS A 654 174.165 -11.907 -12.792 1.00 0.00 C ATOM 920 NZ LYS A 654 174.719 -12.926 -13.727 1.00 0.00 N ATOM 0 H LYS A 654 173.483 -10.179 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 654 171.775 -7.999 -10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 654 171.229 -8.992 -12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 654 172.949 -9.089 -12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 654 172.264 -11.499 -11.199 1.00 0.00 H new ATOM 0 HG3 LYS A 654 170.913 -11.285 -12.294 1.00 0.00 H new ATOM 0 HD2 LYS A 654 172.319 -12.129 -13.865 1.00 0.00 H new ATOM 0 HD3 LYS A 654 172.984 -10.508 -13.912 1.00 0.00 H new ATOM 0 HE2 LYS A 654 174.871 -11.082 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 654 174.050 -12.348 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 175.634 -13.266 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 174.057 -13.725 -13.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 174.853 -12.499 -14.666 1.00 0.00 H new ATOM 934 N GLY A 655 169.621 -8.670 -9.268 1.00 0.00 N ATOM 935 CA GLY A 655 168.287 -9.006 -8.806 1.00 0.00 C ATOM 936 C GLY A 655 168.145 -8.875 -7.303 1.00 0.00 C ATOM 937 O GLY A 655 167.037 -8.721 -6.789 1.00 0.00 O ATOM 0 H GLY A 655 169.937 -7.733 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.562 -8.355 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 655 168.049 -10.028 -9.103 1.00 0.00 H new ATOM 941 N SER A 656 169.270 -8.935 -6.596 1.00 0.00 N ATOM 942 CA SER A 656 169.264 -8.820 -5.144 1.00 0.00 C ATOM 943 C SER A 656 168.888 -7.408 -4.711 1.00 0.00 C ATOM 944 O SER A 656 168.750 -6.509 -5.539 1.00 0.00 O ATOM 945 CB SER A 656 170.635 -9.192 -4.576 1.00 0.00 C ATOM 946 OG SER A 656 171.655 -8.380 -5.131 1.00 0.00 O ATOM 0 H SER A 656 170.195 -9.062 -7.006 1.00 0.00 H new ATOM 0 HA SER A 656 168.517 -9.511 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 656 170.626 -9.079 -3.492 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.846 -10.241 -4.785 1.00 0.00 H new ATOM 0 HG SER A 656 171.690 -8.516 -6.101 1.00 0.00 H new ATOM 952 N LEU A 657 168.721 -7.222 -3.406 1.00 0.00 N ATOM 953 CA LEU A 657 168.359 -5.922 -2.856 1.00 0.00 C ATOM 954 C LEU A 657 169.362 -4.850 -3.265 1.00 0.00 C ATOM 955 O LEU A 657 168.991 -3.806 -3.801 1.00 0.00 O ATOM 956 CB LEU A 657 168.283 -5.998 -1.330 1.00 0.00 C ATOM 957 CG LEU A 657 167.070 -6.751 -0.776 1.00 0.00 C ATOM 958 CD1 LEU A 657 167.489 -7.681 0.350 1.00 0.00 C ATOM 959 CD2 LEU A 657 166.010 -5.773 -0.293 1.00 0.00 C ATOM 0 H LEU A 657 168.831 -7.958 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 657 167.382 -5.650 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 657 169.189 -6.478 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 657 168.274 -4.984 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 657 166.643 -7.353 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 657 166.614 -8.208 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 657 168.213 -8.404 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 657 167.941 -7.099 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.156 -6.326 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.426 -5.145 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.687 -5.146 -1.124 1.00 0.00 H new ATOM 971 N ALA A 658 170.633 -5.117 -3.000 1.00 0.00 N ATOM 972 CA ALA A 658 171.706 -4.181 -3.325 1.00 0.00 C ATOM 973 C ALA A 658 171.584 -3.651 -4.750 1.00 0.00 C ATOM 974 O ALA A 658 172.034 -2.547 -5.048 1.00 0.00 O ATOM 975 CB ALA A 658 173.059 -4.847 -3.128 1.00 0.00 C ATOM 0 H ALA A 658 170.950 -5.980 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 658 171.619 -3.331 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.852 -4.140 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 658 173.162 -5.162 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 658 173.135 -5.717 -3.780 1.00 0.00 H new ATOM 981 N ASP A 659 170.986 -4.446 -5.628 1.00 0.00 N ATOM 982 CA ASP A 659 170.823 -4.054 -7.023 1.00 0.00 C ATOM 983 C ASP A 659 169.547 -3.245 -7.238 1.00 0.00 C ATOM 984 O ASP A 659 169.568 -2.189 -7.869 1.00 0.00 O ATOM 985 CB ASP A 659 170.810 -5.292 -7.922 1.00 0.00 C ATOM 986 CG ASP A 659 171.131 -4.963 -9.366 1.00 0.00 C ATOM 987 OD1 ASP A 659 170.193 -4.636 -10.124 1.00 0.00 O ATOM 988 OD2 ASP A 659 172.321 -5.032 -9.740 1.00 0.00 O ATOM 0 H ASP A 659 170.606 -5.365 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 659 171.670 -3.421 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.534 -6.016 -7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.829 -5.765 -7.870 1.00 0.00 H new ATOM 993 N VAL A 660 168.436 -3.755 -6.724 1.00 0.00 N ATOM 994 CA VAL A 660 167.144 -3.086 -6.877 1.00 0.00 C ATOM 995 C VAL A 660 167.012 -1.870 -5.960 1.00 0.00 C ATOM 996 O VAL A 660 166.622 -0.792 -6.408 1.00 0.00 O ATOM 997 CB VAL A 660 165.956 -4.042 -6.623 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.547 -4.734 -7.913 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.287 -5.067 -5.548 1.00 0.00 C ATOM 0 H VAL A 660 168.400 -4.628 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 660 167.110 -2.751 -7.914 1.00 0.00 H new ATOM 0 HB VAL A 660 165.117 -3.445 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.709 -5.404 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.250 -3.986 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.388 -5.309 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.430 -5.723 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 660 167.146 -5.660 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.522 -4.553 -4.616 1.00 0.00 H new ATOM 1009 N VAL A 661 167.325 -2.043 -4.679 1.00 0.00 N ATOM 1010 CA VAL A 661 167.222 -0.946 -3.721 1.00 0.00 C ATOM 1011 C VAL A 661 168.524 -0.154 -3.634 1.00 0.00 C ATOM 1012 O VAL A 661 168.515 1.042 -3.340 1.00 0.00 O ATOM 1013 CB VAL A 661 166.834 -1.456 -2.316 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.900 -2.387 -1.759 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.585 -0.290 -1.369 1.00 0.00 C ATOM 0 H VAL A 661 167.650 -2.925 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 661 166.434 -0.287 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 661 165.908 -2.024 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.601 -2.731 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 661 168.016 -3.245 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.848 -1.853 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.313 -0.672 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.490 0.312 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.773 0.326 -1.756 1.00 0.00 H new ATOM 1025 N GLY A 662 169.642 -0.823 -3.894 1.00 0.00 N ATOM 1026 CA GLY A 662 170.931 -0.156 -3.843 1.00 0.00 C ATOM 1027 C GLY A 662 171.313 0.463 -5.172 1.00 0.00 C ATOM 1028 O GLY A 662 171.555 1.667 -5.259 1.00 0.00 O ATOM 0 H GLY A 662 169.680 -1.813 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.906 0.620 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.697 -0.873 -3.545 1.00 0.00 H new ATOM 1032 N HIS A 663 171.357 -0.364 -6.211 1.00 0.00 N ATOM 1033 CA HIS A 663 171.702 0.095 -7.553 1.00 0.00 C ATOM 1034 C HIS A 663 173.181 0.465 -7.664 1.00 0.00 C ATOM 1035 O HIS A 663 173.520 1.587 -8.037 1.00 0.00 O ATOM 1036 CB HIS A 663 170.833 1.293 -7.947 1.00 0.00 C ATOM 1037 CG HIS A 663 170.885 1.614 -9.408 1.00 0.00 C ATOM 1038 ND1 HIS A 663 170.838 2.904 -9.898 1.00 0.00 N ATOM 1039 CD2 HIS A 663 170.982 0.807 -10.491 1.00 0.00 C ATOM 1040 CE1 HIS A 663 170.903 2.874 -11.217 1.00 0.00 C ATOM 1041 NE2 HIS A 663 170.991 1.615 -11.601 1.00 0.00 N ATOM 0 H HIS A 663 171.157 -1.362 -6.149 1.00 0.00 H new ATOM 0 HA HIS A 663 171.511 -0.731 -8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 663 169.800 1.091 -7.664 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.154 2.167 -7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 663 171.041 -0.271 -10.483 1.00 0.00 H new ATOM 0 HE1 HIS A 663 170.887 3.734 -11.870 1.00 0.00 H new ATOM 0 HE2 HIS A 663 171.055 1.294 -12.567 1.00 0.00 H new ATOM 1050 N LEU A 664 174.060 -0.489 -7.362 1.00 0.00 N ATOM 1051 CA LEU A 664 175.496 -0.252 -7.458 1.00 0.00 C ATOM 1052 C LEU A 664 176.169 -1.398 -8.203 1.00 0.00 C ATOM 1053 O LEU A 664 175.520 -2.380 -8.563 1.00 0.00 O ATOM 1054 CB LEU A 664 176.136 -0.063 -6.074 1.00 0.00 C ATOM 1055 CG LEU A 664 175.509 -0.858 -4.925 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.135 -0.311 -4.580 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.427 -2.334 -5.274 1.00 0.00 C ATOM 0 H LEU A 664 173.804 -1.426 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 664 175.643 0.673 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.189 -0.334 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.096 0.996 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 664 176.148 -0.750 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.708 -0.890 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.224 0.733 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.485 -0.382 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 664 174.979 -2.880 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.815 -2.463 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.429 -2.720 -5.463 1.00 0.00 H new ATOM 1069 N ARG A 665 177.468 -1.267 -8.439 1.00 0.00 N ATOM 1070 CA ARG A 665 178.215 -2.296 -9.151 1.00 0.00 C ATOM 1071 C ARG A 665 179.602 -2.483 -8.554 1.00 0.00 C ATOM 1072 O ARG A 665 180.095 -1.626 -7.819 1.00 0.00 O ATOM 1073 CB ARG A 665 178.329 -1.936 -10.634 1.00 0.00 C ATOM 1074 CG ARG A 665 177.063 -2.217 -11.427 1.00 0.00 C ATOM 1075 CD ARG A 665 176.797 -1.135 -12.462 1.00 0.00 C ATOM 1076 NE ARG A 665 177.046 -1.606 -13.823 1.00 0.00 N ATOM 1077 CZ ARG A 665 176.201 -2.372 -14.509 1.00 0.00 C ATOM 1078 NH1 ARG A 665 175.051 -2.756 -13.966 1.00 0.00 N ATOM 1079 NH2 ARG A 665 176.505 -2.756 -15.741 1.00 0.00 N ATOM 0 H ARG A 665 178.024 -0.462 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 665 177.672 -3.235 -9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.577 -0.879 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 665 179.155 -2.496 -11.073 1.00 0.00 H new ATOM 0 HG2 ARG A 665 177.152 -3.183 -11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.215 -2.286 -10.746 1.00 0.00 H new ATOM 0 HD2 ARG A 665 175.763 -0.799 -12.378 1.00 0.00 H new ATOM 0 HD3 ARG A 665 177.430 -0.272 -12.255 1.00 0.00 H new ATOM 0 HE ARG A 665 177.919 -1.331 -14.274 1.00 0.00 H new ATOM 0 HH11 ARG A 665 174.812 -2.464 -13.019 1.00 0.00 H new ATOM 0 HH12 ARG A 665 174.407 -3.343 -14.497 1.00 0.00 H new ATOM 0 HH21 ARG A 665 177.387 -2.464 -16.163 1.00 0.00 H new ATOM 0 HH22 ARG A 665 175.857 -3.343 -16.267 1.00 0.00 H new ATOM 1093 N ALA A 666 180.229 -3.608 -8.878 1.00 0.00 N ATOM 1094 CA ALA A 666 181.562 -3.911 -8.377 1.00 0.00 C ATOM 1095 C ALA A 666 182.553 -2.829 -8.779 1.00 0.00 C ATOM 1096 O ALA A 666 182.689 -2.501 -9.957 1.00 0.00 O ATOM 1097 CB ALA A 666 182.023 -5.268 -8.882 1.00 0.00 C ATOM 0 H ALA A 666 179.834 -4.325 -9.486 1.00 0.00 H new ATOM 0 HA ALA A 666 181.517 -3.941 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 666 183.021 -5.479 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.332 -6.038 -8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 666 182.047 -5.262 -9.972 1.00 0.00 H new ATOM 1103 N GLY A 667 183.237 -2.272 -7.789 1.00 0.00 N ATOM 1104 CA GLY A 667 184.202 -1.223 -8.050 1.00 0.00 C ATOM 1105 C GLY A 667 183.905 0.030 -7.251 1.00 0.00 C ATOM 1106 O GLY A 667 184.802 0.828 -6.977 1.00 0.00 O ATOM 0 H GLY A 667 183.140 -2.529 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.202 -1.581 -7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.200 -0.984 -9.114 1.00 0.00 H new ATOM 1110 N ASP A 668 182.641 0.198 -6.874 1.00 0.00 N ATOM 1111 CA ASP A 668 182.226 1.358 -6.096 1.00 0.00 C ATOM 1112 C ASP A 668 182.950 1.388 -4.755 1.00 0.00 C ATOM 1113 O ASP A 668 183.188 0.345 -4.145 1.00 0.00 O ATOM 1114 CB ASP A 668 180.710 1.337 -5.878 1.00 0.00 C ATOM 1115 CG ASP A 668 179.991 2.378 -6.713 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.116 3.580 -6.398 1.00 0.00 O ATOM 1117 OD2 ASP A 668 179.304 1.991 -7.681 1.00 0.00 O ATOM 0 H ASP A 668 181.888 -0.454 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 668 182.488 2.258 -6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.324 0.348 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.495 1.509 -4.823 1.00 0.00 H new ATOM 1122 N GLU A 669 183.301 2.584 -4.303 1.00 0.00 N ATOM 1123 CA GLU A 669 184.005 2.742 -3.037 1.00 0.00 C ATOM 1124 C GLU A 669 183.053 3.173 -1.927 1.00 0.00 C ATOM 1125 O GLU A 669 182.635 4.329 -1.869 1.00 0.00 O ATOM 1126 CB GLU A 669 185.133 3.765 -3.182 1.00 0.00 C ATOM 1127 CG GLU A 669 186.219 3.627 -2.128 1.00 0.00 C ATOM 1128 CD GLU A 669 187.254 4.732 -2.210 1.00 0.00 C ATOM 1129 OE1 GLU A 669 186.857 5.908 -2.351 1.00 0.00 O ATOM 1130 OE2 GLU A 669 188.461 4.422 -2.132 1.00 0.00 O ATOM 0 H GLU A 669 183.110 3.458 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 669 184.430 1.775 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.582 3.661 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.711 4.769 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.763 3.634 -1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.713 2.662 -2.244 1.00 0.00 H new ATOM 1137 N VAL A 670 182.718 2.238 -1.042 1.00 0.00 N ATOM 1138 CA VAL A 670 181.823 2.531 0.069 1.00 0.00 C ATOM 1139 C VAL A 670 182.609 3.045 1.272 1.00 0.00 C ATOM 1140 O VAL A 670 183.230 2.268 1.997 1.00 0.00 O ATOM 1141 CB VAL A 670 181.006 1.287 0.490 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.276 1.530 1.807 1.00 0.00 C ATOM 1143 CG2 VAL A 670 180.017 0.905 -0.601 1.00 0.00 C ATOM 0 H VAL A 670 183.052 1.275 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 670 181.131 3.300 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 670 181.702 0.461 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.710 0.639 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 670 181.002 1.752 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.594 2.373 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.451 0.028 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.332 1.735 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.558 0.679 -1.520 1.00 0.00 H new ATOM 1153 N LEU A 671 182.575 4.355 1.479 1.00 0.00 N ATOM 1154 CA LEU A 671 183.283 4.965 2.598 1.00 0.00 C ATOM 1155 C LEU A 671 182.449 4.909 3.877 1.00 0.00 C ATOM 1156 O LEU A 671 182.857 5.433 4.914 1.00 0.00 O ATOM 1157 CB LEU A 671 183.643 6.420 2.277 1.00 0.00 C ATOM 1158 CG LEU A 671 184.187 6.677 0.865 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.016 5.497 0.375 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.048 6.974 -0.101 1.00 0.00 C ATOM 0 H LEU A 671 182.067 5.014 0.889 1.00 0.00 H new ATOM 0 HA LEU A 671 184.199 4.397 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.754 7.035 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.386 6.759 2.999 1.00 0.00 H new ATOM 0 HG LEU A 671 184.839 7.550 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.389 5.706 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 671 185.857 5.338 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.396 4.601 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.453 7.154 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.368 6.123 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.507 7.858 0.235 1.00 0.00 H new ATOM 1172 N GLU A 672 181.276 4.282 3.802 1.00 0.00 N ATOM 1173 CA GLU A 672 180.400 4.180 4.962 1.00 0.00 C ATOM 1174 C GLU A 672 179.632 2.862 4.975 1.00 0.00 C ATOM 1175 O GLU A 672 178.988 2.498 3.993 1.00 0.00 O ATOM 1176 CB GLU A 672 179.412 5.344 4.968 1.00 0.00 C ATOM 1177 CG GLU A 672 180.075 6.701 5.126 1.00 0.00 C ATOM 1178 CD GLU A 672 179.266 7.649 5.990 1.00 0.00 C ATOM 1179 OE1 GLU A 672 178.533 7.163 6.878 1.00 0.00 O ATOM 1180 OE2 GLU A 672 179.365 8.875 5.780 1.00 0.00 O ATOM 0 H GLU A 672 180.915 3.841 2.956 1.00 0.00 H new ATOM 0 HA GLU A 672 181.025 4.216 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.844 5.332 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.699 5.200 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 672 181.064 6.569 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 672 180.220 7.147 4.142 1.00 0.00 H new ATOM 1187 N TRP A 673 179.694 2.160 6.101 1.00 0.00 N ATOM 1188 CA TRP A 673 178.996 0.892 6.258 1.00 0.00 C ATOM 1189 C TRP A 673 178.205 0.884 7.562 1.00 0.00 C ATOM 1190 O TRP A 673 178.782 0.943 8.648 1.00 0.00 O ATOM 1191 CB TRP A 673 179.988 -0.268 6.247 1.00 0.00 C ATOM 1192 CG TRP A 673 179.344 -1.594 5.988 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.659 -2.362 6.886 1.00 0.00 C ATOM 1194 CD2 TRP A 673 179.324 -2.306 4.750 1.00 0.00 C ATOM 1195 NE1 TRP A 673 178.217 -3.513 6.278 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.614 -3.502 4.966 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.839 -2.049 3.478 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 178.410 -4.439 3.954 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.632 -2.978 2.477 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.924 -4.160 2.720 1.00 0.00 C ATOM 0 H TRP A 673 180.224 2.451 6.922 1.00 0.00 H new ATOM 0 HA TRP A 673 178.306 0.773 5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.744 -0.084 5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.505 -0.304 7.206 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.490 -2.103 7.921 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.681 -4.254 6.729 1.00 0.00 H new ATOM 0 HE3 TRP A 673 180.389 -1.141 3.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.865 -5.353 4.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 180.024 -2.788 1.489 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.781 -4.866 1.915 1.00 0.00 H new ATOM 1211 N ASN A 674 176.883 0.819 7.452 1.00 0.00 N ATOM 1212 CA ASN A 674 176.018 0.811 8.627 1.00 0.00 C ATOM 1213 C ASN A 674 176.065 2.155 9.347 1.00 0.00 C ATOM 1214 O ASN A 674 176.004 2.219 10.575 1.00 0.00 O ATOM 1215 CB ASN A 674 176.421 -0.312 9.587 1.00 0.00 C ATOM 1216 CG ASN A 674 175.384 -0.549 10.668 1.00 0.00 C ATOM 1217 OD1 ASN A 674 175.636 -0.306 11.849 1.00 0.00 O ATOM 1218 ND2 ASN A 674 174.210 -1.025 10.269 1.00 0.00 N ATOM 0 H ASN A 674 176.387 0.771 6.562 1.00 0.00 H new ATOM 0 HA ASN A 674 174.997 0.635 8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.570 -1.232 9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.376 -0.064 10.051 1.00 0.00 H new ATOM 0 HD21 ASN A 674 173.473 -1.204 10.952 1.00 0.00 H new ATOM 0 HD22 ASN A 674 174.045 -1.212 9.280 1.00 0.00 H new ATOM 1225 N GLY A 675 176.159 3.226 8.569 1.00 0.00 N ATOM 1226 CA GLY A 675 176.197 4.563 9.136 1.00 0.00 C ATOM 1227 C GLY A 675 177.495 4.878 9.860 1.00 0.00 C ATOM 1228 O GLY A 675 177.541 5.794 10.682 1.00 0.00 O ATOM 0 H GLY A 675 176.210 3.193 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 675 176.049 5.291 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.365 4.678 9.831 1.00 0.00 H new ATOM 1232 N LYS A 676 178.554 4.130 9.560 1.00 0.00 N ATOM 1233 CA LYS A 676 179.846 4.357 10.199 1.00 0.00 C ATOM 1234 C LYS A 676 180.899 4.739 9.172 1.00 0.00 C ATOM 1235 O LYS A 676 180.842 4.298 8.026 1.00 0.00 O ATOM 1236 CB LYS A 676 180.300 3.097 10.954 1.00 0.00 C ATOM 1237 CG LYS A 676 181.477 2.352 10.311 1.00 0.00 C ATOM 1238 CD LYS A 676 182.483 1.903 11.357 1.00 0.00 C ATOM 1239 CE LYS A 676 183.136 3.087 12.047 1.00 0.00 C ATOM 1240 NZ LYS A 676 184.343 2.684 12.822 1.00 0.00 N ATOM 0 H LYS A 676 178.543 3.367 8.883 1.00 0.00 H new ATOM 0 HA LYS A 676 179.729 5.179 10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.578 3.379 11.970 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.455 2.413 11.033 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.106 1.485 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 676 181.968 3.001 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 676 181.984 1.279 12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 676 183.249 1.288 10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 676 183.415 3.832 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 676 182.416 3.559 12.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 184.759 3.521 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 184.073 1.992 13.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 185.041 2.257 12.180 1.00 0.00 H new ATOM 1254 N PRO A 677 181.902 5.532 9.574 1.00 0.00 N ATOM 1255 CA PRO A 677 182.974 5.911 8.671 1.00 0.00 C ATOM 1256 C PRO A 677 184.004 4.794 8.550 1.00 0.00 C ATOM 1257 O PRO A 677 184.630 4.397 9.534 1.00 0.00 O ATOM 1258 CB PRO A 677 183.580 7.131 9.361 1.00 0.00 C ATOM 1259 CG PRO A 677 183.370 6.875 10.816 1.00 0.00 C ATOM 1260 CD PRO A 677 182.087 6.090 10.927 1.00 0.00 C ATOM 0 HA PRO A 677 182.632 6.110 7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.639 7.236 9.125 1.00 0.00 H new ATOM 0 HB3 PRO A 677 183.089 8.051 9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 677 184.206 6.316 11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 677 183.302 7.811 11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.162 5.304 11.678 1.00 0.00 H new ATOM 0 HD3 PRO A 677 181.251 6.727 11.215 1.00 0.00 H new ATOM 1268 N LEU A 678 184.167 4.292 7.339 1.00 0.00 N ATOM 1269 CA LEU A 678 185.111 3.215 7.062 1.00 0.00 C ATOM 1270 C LEU A 678 186.528 3.738 6.812 1.00 0.00 C ATOM 1271 O LEU A 678 187.498 3.121 7.251 1.00 0.00 O ATOM 1272 CB LEU A 678 184.636 2.395 5.862 1.00 0.00 C ATOM 1273 CG LEU A 678 183.256 1.754 6.025 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.793 1.136 4.713 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.280 0.710 7.135 1.00 0.00 C ATOM 0 H LEU A 678 183.652 4.616 6.520 1.00 0.00 H new ATOM 0 HA LEU A 678 185.149 2.580 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.619 3.040 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.365 1.609 5.666 1.00 0.00 H new ATOM 0 HG LEU A 678 182.546 2.532 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.810 0.685 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.734 1.909 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.503 0.370 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.290 0.265 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 678 184.004 -0.067 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.563 1.184 8.075 1.00 0.00 H new ATOM 1287 N PRO A 679 186.682 4.878 6.100 1.00 0.00 N ATOM 1288 CA PRO A 679 188.001 5.449 5.807 1.00 0.00 C ATOM 1289 C PRO A 679 188.959 5.354 6.991 1.00 0.00 C ATOM 1290 O PRO A 679 188.728 5.948 8.043 1.00 0.00 O ATOM 1291 CB PRO A 679 187.670 6.903 5.488 1.00 0.00 C ATOM 1292 CG PRO A 679 186.325 6.837 4.851 1.00 0.00 C ATOM 1293 CD PRO A 679 185.597 5.697 5.521 1.00 0.00 C ATOM 0 HA PRO A 679 188.514 4.922 5.002 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.655 7.516 6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.408 7.342 4.817 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.785 7.775 4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.411 6.667 3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.913 6.056 6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 679 185.003 5.127 4.807 1.00 0.00 H new ATOM 1301 N GLY A 680 190.031 4.592 6.806 1.00 0.00 N ATOM 1302 CA GLY A 680 191.009 4.415 7.861 1.00 0.00 C ATOM 1303 C GLY A 680 190.938 3.037 8.493 1.00 0.00 C ATOM 1304 O GLY A 680 191.861 2.620 9.192 1.00 0.00 O ATOM 0 H GLY A 680 190.240 4.093 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 680 192.008 4.575 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.851 5.172 8.629 1.00 0.00 H new ATOM 1308 N ALA A 681 189.839 2.326 8.245 1.00 0.00 N ATOM 1309 CA ALA A 681 189.653 0.988 8.791 1.00 0.00 C ATOM 1310 C ALA A 681 190.146 -0.074 7.814 1.00 0.00 C ATOM 1311 O ALA A 681 189.912 0.020 6.610 1.00 0.00 O ATOM 1312 CB ALA A 681 188.187 0.761 9.132 1.00 0.00 C ATOM 0 H ALA A 681 189.065 2.657 7.669 1.00 0.00 H new ATOM 0 HA ALA A 681 190.243 0.904 9.703 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.059 -0.242 9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 681 187.867 1.496 9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.583 0.866 8.231 1.00 0.00 H new ATOM 1318 N THR A 682 190.829 -1.084 8.341 1.00 0.00 N ATOM 1319 CA THR A 682 191.354 -2.165 7.516 1.00 0.00 C ATOM 1320 C THR A 682 190.324 -3.281 7.367 1.00 0.00 C ATOM 1321 O THR A 682 189.210 -3.182 7.881 1.00 0.00 O ATOM 1322 CB THR A 682 192.648 -2.715 8.124 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.043 -3.913 7.479 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.538 -3.004 9.603 1.00 0.00 C ATOM 0 H THR A 682 191.032 -1.177 9.336 1.00 0.00 H new ATOM 0 HA THR A 682 191.572 -1.766 6.525 1.00 0.00 H new ATOM 0 HB THR A 682 193.389 -1.929 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 682 192.542 -4.667 7.855 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.489 -3.391 9.970 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.290 -2.086 10.136 1.00 0.00 H new ATOM 0 HG23 THR A 682 191.756 -3.744 9.772 1.00 0.00 H new ATOM 1332 N ASN A 683 190.701 -4.340 6.658 1.00 0.00 N ATOM 1333 CA ASN A 683 189.810 -5.472 6.438 1.00 0.00 C ATOM 1334 C ASN A 683 189.271 -6.013 7.760 1.00 0.00 C ATOM 1335 O ASN A 683 188.092 -6.347 7.869 1.00 0.00 O ATOM 1336 CB ASN A 683 190.541 -6.584 5.682 1.00 0.00 C ATOM 1337 CG ASN A 683 191.745 -7.103 6.442 1.00 0.00 C ATOM 1338 OD1 ASN A 683 192.364 -6.377 7.221 1.00 0.00 O ATOM 1339 ND2 ASN A 683 192.086 -8.367 6.219 1.00 0.00 N ATOM 0 H ASN A 683 191.620 -4.437 6.225 1.00 0.00 H new ATOM 0 HA ASN A 683 188.968 -5.124 5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 683 189.851 -7.407 5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 683 190.862 -6.209 4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 683 192.888 -8.771 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 683 191.545 -8.933 5.565 1.00 0.00 H new ATOM 1346 N GLU A 684 190.142 -6.099 8.760 1.00 0.00 N ATOM 1347 CA GLU A 684 189.749 -6.602 10.070 1.00 0.00 C ATOM 1348 C GLU A 684 188.750 -5.665 10.737 1.00 0.00 C ATOM 1349 O GLU A 684 187.819 -6.113 11.406 1.00 0.00 O ATOM 1350 CB GLU A 684 190.978 -6.789 10.961 1.00 0.00 C ATOM 1351 CG GLU A 684 191.232 -8.235 11.353 1.00 0.00 C ATOM 1352 CD GLU A 684 190.032 -8.877 12.022 1.00 0.00 C ATOM 1353 OE1 GLU A 684 189.174 -9.428 11.300 1.00 0.00 O ATOM 1354 OE2 GLU A 684 189.950 -8.828 13.267 1.00 0.00 O ATOM 0 H GLU A 684 191.123 -5.827 8.688 1.00 0.00 H new ATOM 0 HA GLU A 684 189.267 -7.570 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 684 191.855 -6.403 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 684 190.855 -6.193 11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 684 191.497 -8.807 10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 684 192.087 -8.280 12.028 1.00 0.00 H new ATOM 1361 N GLU A 685 188.936 -4.365 10.540 1.00 0.00 N ATOM 1362 CA GLU A 685 188.032 -3.381 11.116 1.00 0.00 C ATOM 1363 C GLU A 685 186.639 -3.563 10.531 1.00 0.00 C ATOM 1364 O GLU A 685 185.684 -3.862 11.248 1.00 0.00 O ATOM 1365 CB GLU A 685 188.540 -1.963 10.847 1.00 0.00 C ATOM 1366 CG GLU A 685 188.514 -1.066 12.074 1.00 0.00 C ATOM 1367 CD GLU A 685 189.820 -0.325 12.286 1.00 0.00 C ATOM 1368 OE1 GLU A 685 190.772 -0.939 12.812 1.00 0.00 O ATOM 1369 OE2 GLU A 685 189.891 0.869 11.925 1.00 0.00 O ATOM 0 H GLU A 685 189.699 -3.971 9.990 1.00 0.00 H new ATOM 0 HA GLU A 685 187.989 -3.529 12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.561 -2.017 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 685 187.932 -1.511 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 685 187.704 -0.344 11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 685 188.296 -1.669 12.955 1.00 0.00 H new ATOM 1376 N VAL A 686 186.539 -3.403 9.216 1.00 0.00 N ATOM 1377 CA VAL A 686 185.275 -3.568 8.514 1.00 0.00 C ATOM 1378 C VAL A 686 184.647 -4.922 8.838 1.00 0.00 C ATOM 1379 O VAL A 686 183.436 -5.027 9.029 1.00 0.00 O ATOM 1380 CB VAL A 686 185.471 -3.444 6.988 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.186 -3.774 6.245 1.00 0.00 C ATOM 1382 CG2 VAL A 686 185.959 -2.049 6.627 1.00 0.00 C ATOM 0 H VAL A 686 187.324 -3.158 8.613 1.00 0.00 H new ATOM 0 HA VAL A 686 184.607 -2.776 8.850 1.00 0.00 H new ATOM 0 HB VAL A 686 186.229 -4.165 6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.352 -3.679 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 686 183.884 -4.795 6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.400 -3.085 6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.092 -1.978 5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.225 -1.311 6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 686 186.910 -1.856 7.123 1.00 0.00 H new ATOM 1392 N TYR A 687 185.484 -5.953 8.901 1.00 0.00 N ATOM 1393 CA TYR A 687 185.022 -7.304 9.206 1.00 0.00 C ATOM 1394 C TYR A 687 184.110 -7.305 10.429 1.00 0.00 C ATOM 1395 O TYR A 687 183.018 -7.871 10.404 1.00 0.00 O ATOM 1396 CB TYR A 687 186.217 -8.233 9.447 1.00 0.00 C ATOM 1397 CG TYR A 687 186.694 -8.967 8.209 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.561 -8.406 6.944 1.00 0.00 C ATOM 1399 CD2 TYR A 687 187.282 -10.221 8.309 1.00 0.00 C ATOM 1400 CE1 TYR A 687 186.998 -9.074 5.814 1.00 0.00 C ATOM 1401 CE2 TYR A 687 187.722 -10.896 7.185 1.00 0.00 C ATOM 1402 CZ TYR A 687 187.578 -10.319 5.942 1.00 0.00 C ATOM 1403 OH TYR A 687 188.015 -10.987 4.822 1.00 0.00 O ATOM 0 H TYR A 687 186.489 -5.879 8.744 1.00 0.00 H new ATOM 0 HA TYR A 687 184.453 -7.668 8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 687 187.043 -7.647 9.849 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.946 -8.965 10.208 1.00 0.00 H new ATOM 0 HD1 TYR A 687 186.108 -7.431 6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 687 187.398 -10.677 9.281 1.00 0.00 H new ATOM 0 HE1 TYR A 687 186.886 -8.624 4.839 1.00 0.00 H new ATOM 0 HE2 TYR A 687 188.176 -11.871 7.281 1.00 0.00 H new ATOM 0 HH TYR A 687 187.316 -10.968 4.136 1.00 0.00 H new ATOM 1413 N ASN A 688 184.568 -6.662 11.495 1.00 0.00 N ATOM 1414 CA ASN A 688 183.800 -6.581 12.731 1.00 0.00 C ATOM 1415 C ASN A 688 182.582 -5.679 12.556 1.00 0.00 C ATOM 1416 O ASN A 688 181.521 -5.935 13.122 1.00 0.00 O ATOM 1417 CB ASN A 688 184.678 -6.056 13.869 1.00 0.00 C ATOM 1418 CG ASN A 688 185.639 -7.108 14.389 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.335 -7.825 15.341 1.00 0.00 O ATOM 1420 ND2 ASN A 688 186.807 -7.202 13.764 1.00 0.00 N ATOM 0 H ASN A 688 185.470 -6.188 11.529 1.00 0.00 H new ATOM 0 HA ASN A 688 183.455 -7.584 12.981 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.243 -5.192 13.519 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.043 -5.712 14.686 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.495 -7.890 14.070 1.00 0.00 H new ATOM 0 HD22 ASN A 688 187.016 -6.586 12.978 1.00 0.00 H new ATOM 1427 N ILE A 689 182.744 -4.622 11.766 1.00 0.00 N ATOM 1428 CA ILE A 689 181.656 -3.683 11.515 1.00 0.00 C ATOM 1429 C ILE A 689 180.517 -4.360 10.756 1.00 0.00 C ATOM 1430 O ILE A 689 179.413 -4.507 11.281 1.00 0.00 O ATOM 1431 CB ILE A 689 182.154 -2.449 10.727 1.00 0.00 C ATOM 1432 CG1 ILE A 689 182.870 -1.480 11.670 1.00 0.00 C ATOM 1433 CG2 ILE A 689 181.002 -1.744 10.017 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.377 -1.533 11.568 1.00 0.00 C ATOM 0 H ILE A 689 183.617 -4.394 11.289 1.00 0.00 H new ATOM 0 HA ILE A 689 181.283 -3.348 12.483 1.00 0.00 H new ATOM 0 HB ILE A 689 182.855 -2.792 9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 689 182.536 -0.465 11.455 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.576 -1.702 12.696 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.384 -0.881 9.472 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.529 -2.434 9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.269 -1.413 10.753 1.00 0.00 H new ATOM 0 HD11 ILE A 689 184.814 -0.819 12.266 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.723 -2.537 11.812 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.682 -1.281 10.552 1.00 0.00 H new ATOM 1446 N ILE A 690 180.791 -4.769 9.521 1.00 0.00 N ATOM 1447 CA ILE A 690 179.785 -5.430 8.696 1.00 0.00 C ATOM 1448 C ILE A 690 179.099 -6.554 9.466 1.00 0.00 C ATOM 1449 O ILE A 690 177.872 -6.616 9.529 1.00 0.00 O ATOM 1450 CB ILE A 690 180.403 -5.995 7.402 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.103 -4.872 6.626 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.329 -6.662 6.549 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.414 -5.215 5.185 1.00 0.00 C ATOM 0 H ILE A 690 181.699 -4.655 9.070 1.00 0.00 H new ATOM 0 HA ILE A 690 179.043 -4.677 8.429 1.00 0.00 H new ATOM 0 HB ILE A 690 181.145 -6.751 7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.473 -3.983 6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 690 182.032 -4.617 7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.780 -7.056 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 690 178.873 -7.477 7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.565 -5.930 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.908 -4.368 4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 690 182.071 -6.084 5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.488 -5.440 4.656 1.00 0.00 H new ATOM 1465 N LEU A 691 179.899 -7.435 10.058 1.00 0.00 N ATOM 1466 CA LEU A 691 179.365 -8.548 10.835 1.00 0.00 C ATOM 1467 C LEU A 691 178.404 -8.045 11.902 1.00 0.00 C ATOM 1468 O LEU A 691 177.286 -8.541 12.035 1.00 0.00 O ATOM 1469 CB LEU A 691 180.505 -9.335 11.482 1.00 0.00 C ATOM 1470 CG LEU A 691 181.078 -10.475 10.635 1.00 0.00 C ATOM 1471 CD1 LEU A 691 180.974 -10.157 9.148 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.524 -10.742 11.022 1.00 0.00 C ATOM 0 H LEU A 691 180.917 -7.400 10.015 1.00 0.00 H new ATOM 0 HA LEU A 691 178.818 -9.207 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.312 -8.642 11.722 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.149 -9.749 12.425 1.00 0.00 H new ATOM 0 HG LEU A 691 180.491 -11.373 10.829 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.388 -10.983 8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 691 179.927 -10.014 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.532 -9.246 8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 691 182.920 -11.555 10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.117 -9.842 10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.573 -11.021 12.075 1.00 0.00 H new ATOM 1484 N GLU A 692 178.846 -7.045 12.650 1.00 0.00 N ATOM 1485 CA GLU A 692 178.025 -6.456 13.698 1.00 0.00 C ATOM 1486 C GLU A 692 176.715 -5.932 13.117 1.00 0.00 C ATOM 1487 O GLU A 692 175.696 -5.872 13.807 1.00 0.00 O ATOM 1488 CB GLU A 692 178.781 -5.320 14.392 1.00 0.00 C ATOM 1489 CG GLU A 692 179.740 -5.797 15.470 1.00 0.00 C ATOM 1490 CD GLU A 692 179.024 -6.371 16.675 1.00 0.00 C ATOM 1491 OE1 GLU A 692 178.644 -7.561 16.629 1.00 0.00 O ATOM 1492 OE2 GLU A 692 178.841 -5.632 17.666 1.00 0.00 O ATOM 0 H GLU A 692 179.770 -6.624 12.551 1.00 0.00 H new ATOM 0 HA GLU A 692 177.799 -7.229 14.433 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.339 -4.756 13.644 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.060 -4.633 14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 692 180.403 -6.554 15.052 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.367 -4.964 15.788 1.00 0.00 H new ATOM 1499 N SER A 693 176.751 -5.556 11.841 1.00 0.00 N ATOM 1500 CA SER A 693 175.571 -5.040 11.159 1.00 0.00 C ATOM 1501 C SER A 693 174.742 -6.168 10.544 1.00 0.00 C ATOM 1502 O SER A 693 173.609 -5.949 10.116 1.00 0.00 O ATOM 1503 CB SER A 693 175.981 -4.046 10.071 1.00 0.00 C ATOM 1504 OG SER A 693 174.846 -3.429 9.488 1.00 0.00 O ATOM 0 H SER A 693 177.587 -5.600 11.259 1.00 0.00 H new ATOM 0 HA SER A 693 174.955 -4.532 11.901 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.634 -3.284 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 693 176.554 -4.562 9.301 1.00 0.00 H new ATOM 0 HG SER A 693 174.077 -4.033 9.550 1.00 0.00 H new ATOM 1510 N LYS A 694 175.305 -7.376 10.508 1.00 0.00 N ATOM 1511 CA LYS A 694 174.598 -8.524 9.949 1.00 0.00 C ATOM 1512 C LYS A 694 173.362 -8.856 10.778 1.00 0.00 C ATOM 1513 O LYS A 694 172.384 -9.395 10.264 1.00 0.00 O ATOM 1514 CB LYS A 694 175.520 -9.743 9.881 1.00 0.00 C ATOM 1515 CG LYS A 694 176.593 -9.636 8.809 1.00 0.00 C ATOM 1516 CD LYS A 694 177.413 -10.913 8.717 1.00 0.00 C ATOM 1517 CE LYS A 694 178.162 -10.999 7.397 1.00 0.00 C ATOM 1518 NZ LYS A 694 177.269 -11.409 6.279 1.00 0.00 N ATOM 0 H LYS A 694 176.241 -7.582 10.857 1.00 0.00 H new ATOM 0 HA LYS A 694 174.282 -8.263 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 694 175.999 -9.880 10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 694 174.919 -10.633 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 694 176.127 -9.430 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 694 177.250 -8.795 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 694 178.123 -10.951 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 694 176.756 -11.777 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 694 178.608 -10.031 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 694 178.980 -11.714 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 177.612 -10.992 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 177.268 -12.446 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 176.302 -11.076 6.467 1.00 0.00 H new ATOM 1532 N SER A 695 173.416 -8.529 12.067 1.00 0.00 N ATOM 1533 CA SER A 695 172.302 -8.791 12.970 1.00 0.00 C ATOM 1534 C SER A 695 171.159 -7.807 12.740 1.00 0.00 C ATOM 1535 O SER A 695 170.013 -8.080 13.096 1.00 0.00 O ATOM 1536 CB SER A 695 172.770 -8.712 14.424 1.00 0.00 C ATOM 1537 OG SER A 695 171.668 -8.707 15.316 1.00 0.00 O ATOM 0 H SER A 695 174.220 -8.082 12.508 1.00 0.00 H new ATOM 0 HA SER A 695 171.934 -9.796 12.763 1.00 0.00 H new ATOM 0 HB2 SER A 695 173.418 -9.559 14.647 1.00 0.00 H new ATOM 0 HB3 SER A 695 173.364 -7.809 14.570 1.00 0.00 H new ATOM 0 HG SER A 695 171.994 -8.658 16.239 1.00 0.00 H new ATOM 1543 N GLU A 696 171.474 -6.659 12.143 1.00 0.00 N ATOM 1544 CA GLU A 696 170.465 -5.642 11.873 1.00 0.00 C ATOM 1545 C GLU A 696 169.730 -5.939 10.567 1.00 0.00 C ATOM 1546 O GLU A 696 170.349 -6.308 9.569 1.00 0.00 O ATOM 1547 CB GLU A 696 171.113 -4.258 11.803 1.00 0.00 C ATOM 1548 CG GLU A 696 171.322 -3.615 13.164 1.00 0.00 C ATOM 1549 CD GLU A 696 171.327 -2.100 13.100 1.00 0.00 C ATOM 1550 OE1 GLU A 696 171.890 -1.549 12.132 1.00 0.00 O ATOM 1551 OE2 GLU A 696 170.767 -1.466 14.019 1.00 0.00 O ATOM 0 H GLU A 696 172.416 -6.412 11.839 1.00 0.00 H new ATOM 0 HA GLU A 696 169.742 -5.656 12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.075 -4.342 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.489 -3.604 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 696 170.534 -3.943 13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 696 172.267 -3.960 13.583 1.00 0.00 H new ATOM 1558 N PRO A 697 168.395 -5.780 10.554 1.00 0.00 N ATOM 1559 CA PRO A 697 167.584 -6.034 9.359 1.00 0.00 C ATOM 1560 C PRO A 697 167.757 -4.953 8.295 1.00 0.00 C ATOM 1561 O PRO A 697 167.241 -5.080 7.184 1.00 0.00 O ATOM 1562 CB PRO A 697 166.153 -6.030 9.898 1.00 0.00 C ATOM 1563 CG PRO A 697 166.205 -5.146 11.094 1.00 0.00 C ATOM 1564 CD PRO A 697 167.570 -5.341 11.697 1.00 0.00 C ATOM 0 HA PRO A 697 167.867 -6.963 8.864 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.451 -5.651 9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.826 -7.036 10.162 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.047 -4.104 10.816 1.00 0.00 H new ATOM 0 HG3 PRO A 697 165.423 -5.408 11.807 1.00 0.00 H new ATOM 0 HD2 PRO A 697 167.950 -4.418 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 697 167.555 -6.088 12.491 1.00 0.00 H new ATOM 1572 N GLN A 698 168.480 -3.891 8.638 1.00 0.00 N ATOM 1573 CA GLN A 698 168.712 -2.796 7.705 1.00 0.00 C ATOM 1574 C GLN A 698 170.156 -2.308 7.781 1.00 0.00 C ATOM 1575 O GLN A 698 170.798 -2.392 8.829 1.00 0.00 O ATOM 1576 CB GLN A 698 167.753 -1.639 7.994 1.00 0.00 C ATOM 1577 CG GLN A 698 167.932 -0.451 7.063 1.00 0.00 C ATOM 1578 CD GLN A 698 166.842 0.590 7.230 1.00 0.00 C ATOM 1579 OE1 GLN A 698 165.711 0.268 7.592 1.00 0.00 O ATOM 1580 NE2 GLN A 698 167.180 1.847 6.967 1.00 0.00 N ATOM 0 H GLN A 698 168.914 -3.767 9.553 1.00 0.00 H new ATOM 0 HA GLN A 698 168.528 -3.168 6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.728 -2.000 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 698 167.896 -1.308 9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.902 0.010 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 698 167.940 -0.801 6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 698 168.130 2.068 6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 698 166.489 2.591 7.063 1.00 0.00 H new ATOM 1589 N VAL A 699 170.657 -1.801 6.661 1.00 0.00 N ATOM 1590 CA VAL A 699 172.024 -1.300 6.587 1.00 0.00 C ATOM 1591 C VAL A 699 172.084 -0.014 5.766 1.00 0.00 C ATOM 1592 O VAL A 699 171.339 0.153 4.801 1.00 0.00 O ATOM 1593 CB VAL A 699 172.972 -2.355 5.967 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.315 -1.742 5.582 1.00 0.00 C ATOM 1595 CG2 VAL A 699 173.166 -3.520 6.927 1.00 0.00 C ATOM 0 H VAL A 699 170.135 -1.726 5.788 1.00 0.00 H new ATOM 0 HA VAL A 699 172.352 -1.090 7.605 1.00 0.00 H new ATOM 0 HB VAL A 699 172.508 -2.728 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.955 -2.511 5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 699 174.157 -0.949 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.794 -1.328 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.835 -4.254 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.600 -3.156 7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 699 172.202 -3.986 7.133 1.00 0.00 H new ATOM 1605 N GLU A 700 172.981 0.884 6.155 1.00 0.00 N ATOM 1606 CA GLU A 700 173.151 2.151 5.455 1.00 0.00 C ATOM 1607 C GLU A 700 174.584 2.290 4.954 1.00 0.00 C ATOM 1608 O GLU A 700 175.511 2.476 5.742 1.00 0.00 O ATOM 1609 CB GLU A 700 172.803 3.321 6.378 1.00 0.00 C ATOM 1610 CG GLU A 700 172.510 4.615 5.636 1.00 0.00 C ATOM 1611 CD GLU A 700 172.303 5.789 6.573 1.00 0.00 C ATOM 1612 OE1 GLU A 700 171.667 5.600 7.631 1.00 0.00 O ATOM 1613 OE2 GLU A 700 172.780 6.897 6.249 1.00 0.00 O ATOM 0 H GLU A 700 173.603 0.758 6.953 1.00 0.00 H new ATOM 0 HA GLU A 700 172.476 2.166 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.935 3.052 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.630 3.487 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.335 4.836 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 700 171.619 4.484 5.021 1.00 0.00 H new ATOM 1620 N ILE A 701 174.763 2.188 3.641 1.00 0.00 N ATOM 1621 CA ILE A 701 176.088 2.293 3.044 1.00 0.00 C ATOM 1622 C ILE A 701 176.182 3.481 2.098 1.00 0.00 C ATOM 1623 O ILE A 701 175.270 3.740 1.313 1.00 0.00 O ATOM 1624 CB ILE A 701 176.476 1.014 2.276 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.238 0.362 1.647 1.00 0.00 C ATOM 1626 CG2 ILE A 701 177.189 0.044 3.204 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.521 -0.969 0.984 1.00 0.00 C ATOM 0 H ILE A 701 174.009 2.033 2.972 1.00 0.00 H new ATOM 0 HA ILE A 701 176.783 2.434 3.872 1.00 0.00 H new ATOM 0 HB ILE A 701 177.157 1.284 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.482 0.220 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.815 1.043 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.459 -0.856 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 701 178.091 0.513 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.529 -0.221 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.599 -1.369 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.254 -0.831 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.915 -1.667 1.723 1.00 0.00 H new ATOM 1639 N ILE A 702 177.296 4.196 2.181 1.00 0.00 N ATOM 1640 CA ILE A 702 177.524 5.360 1.335 1.00 0.00 C ATOM 1641 C ILE A 702 178.717 5.136 0.417 1.00 0.00 C ATOM 1642 O ILE A 702 179.692 4.494 0.800 1.00 0.00 O ATOM 1643 CB ILE A 702 177.763 6.627 2.179 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.773 6.691 3.348 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.649 7.873 1.314 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.322 6.551 2.931 1.00 0.00 C ATOM 0 H ILE A 702 178.058 3.990 2.827 1.00 0.00 H new ATOM 0 HA ILE A 702 176.627 5.502 0.733 1.00 0.00 H new ATOM 0 HB ILE A 702 178.773 6.582 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 702 177.014 5.901 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.901 7.640 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.821 8.758 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.393 7.833 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.652 7.922 0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.683 6.606 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 702 175.062 7.356 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.176 5.590 2.437 1.00 0.00 H new ATOM 1658 N VAL A 703 178.633 5.667 -0.799 1.00 0.00 N ATOM 1659 CA VAL A 703 179.710 5.516 -1.770 1.00 0.00 C ATOM 1660 C VAL A 703 180.134 6.859 -2.351 1.00 0.00 C ATOM 1661 O VAL A 703 179.562 7.900 -2.025 1.00 0.00 O ATOM 1662 CB VAL A 703 179.297 4.586 -2.924 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.272 3.140 -2.459 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.946 4.998 -3.488 1.00 0.00 C ATOM 0 H VAL A 703 177.833 6.204 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 703 180.551 5.077 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 703 180.036 4.675 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.978 2.496 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.264 2.853 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.556 3.032 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.672 4.328 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.192 4.942 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.004 6.020 -3.863 1.00 0.00 H new ATOM 1674 N SER A 704 181.142 6.823 -3.214 1.00 0.00 N ATOM 1675 CA SER A 704 181.653 8.033 -3.848 1.00 0.00 C ATOM 1676 C SER A 704 182.161 7.737 -5.255 1.00 0.00 C ATOM 1677 O SER A 704 182.838 6.733 -5.482 1.00 0.00 O ATOM 1678 CB SER A 704 182.775 8.641 -3.005 1.00 0.00 C ATOM 1679 OG SER A 704 183.750 7.668 -2.675 1.00 0.00 O ATOM 0 H SER A 704 181.623 5.967 -3.492 1.00 0.00 H new ATOM 0 HA SER A 704 180.834 8.749 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 704 183.244 9.458 -3.553 1.00 0.00 H new ATOM 0 HB3 SER A 704 182.358 9.067 -2.092 1.00 0.00 H new ATOM 0 HG SER A 704 184.524 8.107 -2.264 1.00 0.00 H new ATOM 1741 N GLY B 945 186.384 -9.787 0.123 1.00 0.00 N ATOM 1742 CA GLY B 945 186.594 -9.379 1.499 1.00 0.00 C ATOM 1743 C GLY B 945 185.510 -9.887 2.428 1.00 0.00 C ATOM 1744 O GLY B 945 185.780 -10.681 3.328 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.562 -9.747 1.840 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.631 -8.291 1.550 1.00 0.00 H new ATOM 1748 N ILE B 946 184.281 -9.427 2.216 1.00 0.00 N ATOM 1749 CA ILE B 946 183.161 -9.842 3.051 1.00 0.00 C ATOM 1750 C ILE B 946 181.901 -10.048 2.229 1.00 0.00 C ATOM 1751 O ILE B 946 181.753 -9.491 1.141 1.00 0.00 O ATOM 1752 CB ILE B 946 182.849 -8.821 4.167 1.00 0.00 C ATOM 1753 CG1 ILE B 946 184.037 -7.881 4.396 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.490 -9.552 5.455 1.00 0.00 C ATOM 1755 CD1 ILE B 946 184.005 -7.191 5.738 1.00 0.00 C ATOM 0 H ILE B 946 184.037 -8.769 1.476 1.00 0.00 H new ATOM 0 HA ILE B 946 183.467 -10.784 3.506 1.00 0.00 H new ATOM 0 HB ILE B 946 181.998 -8.216 3.855 1.00 0.00 H new ATOM 0 HG12 ILE B 946 184.963 -8.450 4.310 1.00 0.00 H new ATOM 0 HG13 ILE B 946 184.052 -7.128 3.609 1.00 0.00 H new ATOM 0 HG21 ILE B 946 182.271 -8.825 6.237 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.614 -10.178 5.286 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.328 -10.177 5.764 1.00 0.00 H new ATOM 0 HD11 ILE B 946 184.875 -6.541 5.834 1.00 0.00 H new ATOM 0 HD12 ILE B 946 183.096 -6.595 5.819 1.00 0.00 H new ATOM 0 HD13 ILE B 946 184.021 -7.938 6.532 1.00 0.00 H new ATOM 1767 N TRP B 947 180.985 -10.837 2.772 1.00 0.00 N ATOM 1768 CA TRP B 947 179.720 -11.101 2.106 1.00 0.00 C ATOM 1769 C TRP B 947 178.668 -10.120 2.596 1.00 0.00 C ATOM 1770 O TRP B 947 178.400 -10.028 3.794 1.00 0.00 O ATOM 1771 CB TRP B 947 179.267 -12.544 2.342 1.00 0.00 C ATOM 1772 CG TRP B 947 179.384 -13.399 1.114 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.943 -14.642 1.031 1.00 0.00 C ATOM 1774 CD2 TRP B 947 178.937 -13.071 -0.209 1.00 0.00 C ATOM 1775 NE1 TRP B 947 179.872 -15.107 -0.261 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.257 -14.161 -1.040 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.294 -11.964 -0.772 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 178.959 -14.173 -2.402 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 177.999 -11.977 -2.122 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.331 -13.076 -2.924 1.00 0.00 C ATOM 0 H TRP B 947 181.095 -11.305 3.672 1.00 0.00 H new ATOM 0 HA TRP B 947 179.856 -10.968 1.033 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.865 -12.981 3.142 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.231 -12.544 2.682 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.378 -15.181 1.860 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.220 -16.009 -0.587 1.00 0.00 H new ATOM 0 HE3 TRP B 947 178.032 -11.113 -0.161 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.215 -15.019 -3.023 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.504 -11.126 -2.566 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.086 -13.057 -3.976 1.00 0.00 H new ATOM 1791 N ALA B 948 178.092 -9.372 1.665 1.00 0.00 N ATOM 1792 CA ALA B 948 177.083 -8.382 2.001 1.00 0.00 C ATOM 1793 C ALA B 948 176.039 -8.269 0.896 1.00 0.00 C ATOM 1794 O ALA B 948 175.339 -9.266 0.637 1.00 0.00 O ATOM 1795 CB ALA B 948 177.746 -7.038 2.249 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.928 -7.179 0.295 1.00 0.00 O ATOM 0 H ALA B 948 178.308 -9.434 0.670 1.00 0.00 H new ATOM 0 HA ALA B 948 176.572 -8.700 2.910 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.986 -6.298 2.501 1.00 0.00 H new ATOM 0 HB2 ALA B 948 178.453 -7.128 3.074 1.00 0.00 H new ATOM 0 HB3 ALA B 948 178.276 -6.722 1.350 1.00 0.00 H new