USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 682 THR OG1 : rot 180:sc= -0.685! USER MOD Set 1.2: A 683 ASN : amide:sc= -1.26 K(o=-1.9,f=-3.9) USER MOD Single : A 617 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.7) USER MOD Single : A 618 LYS NZ :NH3+ -152:sc= 0.138 (180deg=-0.207) USER MOD Single : A 633 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0413) USER MOD Single : A 638 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 LYS NZ :NH3+ 155:sc= -0.0313 (180deg=-0.601) USER MOD Single : A 656 SER OG : rot -160:sc= -1.18 USER MOD Single : A 663 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-0.2) USER MOD Single : A 674 ASN : amide:sc= -0.993 X(o=-0.99,f=-1.2) USER MOD Single : A 676 LYS NZ :NH3+ -146:sc= -1.29 (180deg=-2.96) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 688 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 693 SER OG : rot -78:sc= -0.904 USER MOD Single : A 694 LYS NZ :NH3+ 151:sc= 1.03 (180deg=-1.12) USER MOD Single : A 695 SER OG : rot 180:sc= 0 USER MOD Single : A 698 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 704 SER OG : rot 36:sc= -1.53! USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.311 9.416 -2.703 1.00 0.00 N ATOM 248 CA GLY A 612 174.947 8.941 -2.579 1.00 0.00 C ATOM 249 C GLY A 612 174.743 8.087 -1.345 1.00 0.00 C ATOM 250 O GLY A 612 175.699 7.540 -0.797 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.270 9.794 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.684 8.363 -3.465 1.00 0.00 H new ATOM 254 N ARG A 613 173.494 7.964 -0.911 1.00 0.00 N ATOM 255 CA ARG A 613 173.170 7.162 0.263 1.00 0.00 C ATOM 256 C ARG A 613 172.389 5.919 -0.141 1.00 0.00 C ATOM 257 O ARG A 613 171.307 6.021 -0.717 1.00 0.00 O ATOM 258 CB ARG A 613 172.359 7.984 1.266 1.00 0.00 C ATOM 259 CG ARG A 613 173.042 9.273 1.689 1.00 0.00 C ATOM 260 CD ARG A 613 172.780 9.590 3.152 1.00 0.00 C ATOM 261 NE ARG A 613 171.386 9.960 3.391 1.00 0.00 N ATOM 262 CZ ARG A 613 170.956 10.553 4.503 1.00 0.00 C ATOM 263 NH1 ARG A 613 171.807 10.846 5.478 1.00 0.00 N ATOM 264 NH2 ARG A 613 169.671 10.853 4.639 1.00 0.00 N ATOM 0 H ARG A 613 172.690 8.409 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 613 174.103 6.854 0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 613 171.390 8.223 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 613 172.168 7.377 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 613 174.116 9.189 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 613 172.686 10.095 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 613 173.035 8.723 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 613 173.431 10.405 3.469 1.00 0.00 H new ATOM 0 HE ARG A 613 170.703 9.752 2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 613 172.796 10.617 5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 613 171.472 11.300 6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 613 169.013 10.629 3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 613 169.341 11.307 5.490 1.00 0.00 H new ATOM 278 N VAL A 614 172.943 4.746 0.152 1.00 0.00 N ATOM 279 CA VAL A 614 172.287 3.499 -0.201 1.00 0.00 C ATOM 280 C VAL A 614 171.793 2.765 1.039 1.00 0.00 C ATOM 281 O VAL A 614 172.572 2.434 1.931 1.00 0.00 O ATOM 282 CB VAL A 614 173.228 2.578 -1.002 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.512 1.298 -1.411 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.772 3.305 -2.222 1.00 0.00 C ATOM 0 H VAL A 614 173.838 4.637 0.629 1.00 0.00 H new ATOM 0 HA VAL A 614 171.431 3.755 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 614 174.067 2.305 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.195 0.663 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.177 0.768 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.651 1.545 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.435 2.640 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.945 3.610 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.327 4.187 -1.902 1.00 0.00 H new ATOM 294 N ILE A 615 170.493 2.505 1.079 1.00 0.00 N ATOM 295 CA ILE A 615 169.889 1.800 2.201 1.00 0.00 C ATOM 296 C ILE A 615 169.507 0.386 1.788 1.00 0.00 C ATOM 297 O ILE A 615 168.654 0.192 0.922 1.00 0.00 O ATOM 298 CB ILE A 615 168.635 2.530 2.729 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.788 4.049 2.586 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.379 2.156 4.182 1.00 0.00 C ATOM 301 CD1 ILE A 615 170.044 4.599 3.228 1.00 0.00 C ATOM 0 H ILE A 615 169.836 2.772 0.346 1.00 0.00 H new ATOM 0 HA ILE A 615 170.629 1.768 3.000 1.00 0.00 H new ATOM 0 HB ILE A 615 167.779 2.217 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.790 4.307 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.920 4.536 3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.492 2.678 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.223 1.080 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.239 2.442 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 615 170.082 5.679 3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 615 170.036 4.374 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.919 4.141 2.767 1.00 0.00 H new ATOM 313 N LEU A 616 170.148 -0.601 2.404 1.00 0.00 N ATOM 314 CA LEU A 616 169.874 -1.996 2.085 1.00 0.00 C ATOM 315 C LEU A 616 169.271 -2.722 3.283 1.00 0.00 C ATOM 316 O LEU A 616 169.527 -2.363 4.430 1.00 0.00 O ATOM 317 CB LEU A 616 171.156 -2.694 1.625 1.00 0.00 C ATOM 318 CG LEU A 616 171.298 -2.820 0.108 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.615 -3.478 -0.269 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.133 -3.606 -0.462 1.00 0.00 C ATOM 0 H LEU A 616 170.857 -0.462 3.124 1.00 0.00 H new ATOM 0 HA LEU A 616 169.147 -2.025 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.014 -2.145 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.190 -3.691 2.065 1.00 0.00 H new ATOM 0 HG LEU A 616 171.292 -1.816 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.687 -3.553 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.443 -2.878 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.662 -4.476 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.245 -3.689 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.116 -4.603 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.200 -3.092 -0.232 1.00 0.00 H new ATOM 332 N ASN A 617 168.460 -3.739 3.007 1.00 0.00 N ATOM 333 CA ASN A 617 167.813 -4.504 4.065 1.00 0.00 C ATOM 334 C ASN A 617 167.973 -6.006 3.843 1.00 0.00 C ATOM 335 O ASN A 617 167.487 -6.553 2.853 1.00 0.00 O ATOM 336 CB ASN A 617 166.329 -4.143 4.141 1.00 0.00 C ATOM 337 CG ASN A 617 166.074 -2.922 5.002 1.00 0.00 C ATOM 338 OD1 ASN A 617 165.848 -3.033 6.206 1.00 0.00 O ATOM 339 ND2 ASN A 617 166.111 -1.745 4.386 1.00 0.00 N ATOM 0 H ASN A 617 168.236 -4.051 2.062 1.00 0.00 H new ATOM 0 HA ASN A 617 168.297 -4.248 5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 617 165.950 -3.960 3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 617 165.772 -4.990 4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 617 165.948 -0.888 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 617 166.302 -1.699 3.385 1.00 0.00 H new ATOM 346 N LYS A 618 168.653 -6.666 4.775 1.00 0.00 N ATOM 347 CA LYS A 618 168.879 -8.104 4.696 1.00 0.00 C ATOM 348 C LYS A 618 168.115 -8.834 5.800 1.00 0.00 C ATOM 349 O LYS A 618 168.628 -9.779 6.399 1.00 0.00 O ATOM 350 CB LYS A 618 170.375 -8.402 4.823 1.00 0.00 C ATOM 351 CG LYS A 618 171.017 -7.762 6.045 1.00 0.00 C ATOM 352 CD LYS A 618 171.888 -8.751 6.803 1.00 0.00 C ATOM 353 CE LYS A 618 173.041 -9.250 5.947 1.00 0.00 C ATOM 354 NZ LYS A 618 173.571 -10.553 6.436 1.00 0.00 N ATOM 0 H LYS A 618 169.060 -6.224 5.599 1.00 0.00 H new ATOM 0 HA LYS A 618 168.517 -8.457 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.520 -9.481 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 618 170.886 -8.049 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.620 -6.909 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 618 170.240 -7.379 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 618 172.280 -8.277 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 618 171.282 -9.597 7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 618 172.707 -9.358 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.841 -8.509 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 174.576 -10.636 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 173.470 -10.603 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 173.038 -11.331 5.998 1.00 0.00 H new ATOM 516 N LEU A 629 172.812 -12.262 1.612 1.00 0.00 N ATOM 517 CA LEU A 629 172.781 -11.218 2.630 1.00 0.00 C ATOM 518 C LEU A 629 171.818 -10.099 2.237 1.00 0.00 C ATOM 519 O LEU A 629 170.696 -10.035 2.734 1.00 0.00 O ATOM 520 CB LEU A 629 174.181 -10.640 2.880 1.00 0.00 C ATOM 521 CG LEU A 629 175.357 -11.611 2.722 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.108 -12.917 3.454 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.660 -11.865 1.253 1.00 0.00 C ATOM 0 HA LEU A 629 172.428 -11.676 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.333 -9.805 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.207 -10.233 3.891 1.00 0.00 H new ATOM 0 HG LEU A 629 176.230 -11.141 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 629 175.963 -13.579 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 629 174.968 -12.718 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.213 -13.394 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.498 -12.557 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.783 -12.296 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.916 -10.924 0.766 1.00 0.00 H new ATOM 535 N LEU A 630 172.259 -9.226 1.336 1.00 0.00 N ATOM 536 CA LEU A 630 171.428 -8.115 0.878 1.00 0.00 C ATOM 537 C LEU A 630 171.458 -8.001 -0.647 1.00 0.00 C ATOM 538 O LEU A 630 170.407 -7.872 -1.275 1.00 0.00 O ATOM 539 CB LEU A 630 171.862 -6.791 1.520 1.00 0.00 C ATOM 540 CG LEU A 630 173.310 -6.743 1.996 1.00 0.00 C ATOM 541 CD1 LEU A 630 173.883 -5.343 1.849 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.417 -7.217 3.434 1.00 0.00 C ATOM 0 H LEU A 630 173.184 -9.265 0.909 1.00 0.00 H new ATOM 0 HA LEU A 630 170.404 -8.323 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 630 171.707 -5.988 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.210 -6.587 2.370 1.00 0.00 H new ATOM 0 HG LEU A 630 173.895 -7.416 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 630 174.917 -5.335 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 630 173.849 -5.044 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.295 -4.645 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.458 -7.175 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 630 172.814 -6.574 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.056 -8.243 3.507 1.00 0.00 H new ATOM 554 N GLY A 631 172.651 -8.065 -1.253 1.00 0.00 N ATOM 555 CA GLY A 631 172.716 -7.979 -2.706 1.00 0.00 C ATOM 556 C GLY A 631 174.094 -7.688 -3.296 1.00 0.00 C ATOM 557 O GLY A 631 174.209 -7.542 -4.512 1.00 0.00 O ATOM 0 H GLY A 631 173.547 -8.172 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.355 -8.919 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.029 -7.200 -3.036 1.00 0.00 H new ATOM 561 N LEU A 632 175.144 -7.599 -2.477 1.00 0.00 N ATOM 562 CA LEU A 632 176.479 -7.320 -3.021 1.00 0.00 C ATOM 563 C LEU A 632 177.606 -7.710 -2.063 1.00 0.00 C ATOM 564 O LEU A 632 177.475 -7.606 -0.849 1.00 0.00 O ATOM 565 CB LEU A 632 176.597 -5.839 -3.424 1.00 0.00 C ATOM 566 CG LEU A 632 176.613 -4.801 -2.288 1.00 0.00 C ATOM 567 CD1 LEU A 632 175.363 -4.896 -1.427 1.00 0.00 C ATOM 568 CD2 LEU A 632 177.861 -4.942 -1.431 1.00 0.00 C ATOM 0 H LEU A 632 175.103 -7.712 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 632 176.595 -7.944 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.512 -5.719 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.765 -5.602 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 632 176.627 -3.815 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 632 175.409 -4.148 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 632 174.482 -4.718 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 632 175.301 -5.890 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 632 177.844 -4.195 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 632 177.889 -5.939 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 632 178.746 -4.793 -2.050 1.00 0.00 H new ATOM 580 N LYS A 633 178.735 -8.133 -2.624 1.00 0.00 N ATOM 581 CA LYS A 633 179.895 -8.506 -1.822 1.00 0.00 C ATOM 582 C LYS A 633 180.894 -7.356 -1.797 1.00 0.00 C ATOM 583 O LYS A 633 181.205 -6.774 -2.836 1.00 0.00 O ATOM 584 CB LYS A 633 180.552 -9.771 -2.385 1.00 0.00 C ATOM 585 CG LYS A 633 181.311 -10.577 -1.343 1.00 0.00 C ATOM 586 CD LYS A 633 181.688 -11.954 -1.865 1.00 0.00 C ATOM 587 CE LYS A 633 182.067 -12.900 -0.734 1.00 0.00 C ATOM 588 NZ LYS A 633 183.195 -12.374 0.084 1.00 0.00 N ATOM 0 H LYS A 633 178.871 -8.226 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 633 179.568 -8.715 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 633 179.783 -10.402 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.237 -9.490 -3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 633 182.213 -10.038 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 633 180.699 -10.682 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 633 180.852 -12.373 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 633 182.523 -11.864 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 633 181.201 -13.063 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 633 182.343 -13.869 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 183.839 -13.153 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 183.713 -11.655 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 182.822 -11.946 0.955 1.00 0.00 H new ATOM 602 N VAL A 634 181.381 -7.011 -0.610 1.00 0.00 N ATOM 603 CA VAL A 634 182.323 -5.907 -0.473 1.00 0.00 C ATOM 604 C VAL A 634 183.656 -6.356 0.103 1.00 0.00 C ATOM 605 O VAL A 634 183.746 -7.370 0.789 1.00 0.00 O ATOM 606 CB VAL A 634 181.747 -4.784 0.418 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.855 -3.926 1.021 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.784 -3.925 -0.379 1.00 0.00 C ATOM 0 H VAL A 634 181.141 -7.476 0.265 1.00 0.00 H new ATOM 0 HA VAL A 634 182.489 -5.526 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 634 181.207 -5.252 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.414 -3.146 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.507 -4.550 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.436 -3.468 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.385 -3.137 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.309 -3.477 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 634 179.965 -4.543 -0.748 1.00 0.00 H new ATOM 618 N VAL A 635 184.680 -5.565 -0.177 1.00 0.00 N ATOM 619 CA VAL A 635 186.018 -5.835 0.311 1.00 0.00 C ATOM 620 C VAL A 635 186.441 -4.769 1.321 1.00 0.00 C ATOM 621 O VAL A 635 185.850 -3.691 1.379 1.00 0.00 O ATOM 622 CB VAL A 635 187.016 -5.907 -0.867 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.308 -5.159 -0.575 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.293 -7.358 -1.207 1.00 0.00 C ATOM 0 H VAL A 635 184.605 -4.722 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 635 186.019 -6.801 0.816 1.00 0.00 H new ATOM 0 HB VAL A 635 186.561 -5.414 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 635 188.976 -5.239 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.086 -4.109 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.789 -5.592 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.997 -7.409 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.720 -7.860 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.362 -7.850 -1.489 1.00 0.00 H new ATOM 634 N GLY A 636 187.460 -5.077 2.114 1.00 0.00 N ATOM 635 CA GLY A 636 187.934 -4.131 3.108 1.00 0.00 C ATOM 636 C GLY A 636 189.445 -4.095 3.202 1.00 0.00 C ATOM 637 O GLY A 636 190.118 -5.072 2.878 1.00 0.00 O ATOM 0 H GLY A 636 187.966 -5.962 2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.565 -3.135 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.519 -4.393 4.081 1.00 0.00 H new ATOM 641 N GLY A 637 189.980 -2.963 3.647 1.00 0.00 N ATOM 642 CA GLY A 637 191.419 -2.823 3.776 1.00 0.00 C ATOM 643 C GLY A 637 192.095 -2.512 2.457 1.00 0.00 C ATOM 644 O GLY A 637 193.143 -3.074 2.140 1.00 0.00 O ATOM 0 H GLY A 637 189.443 -2.140 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.640 -2.029 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.835 -3.744 4.185 1.00 0.00 H new ATOM 648 N LYS A 638 191.494 -1.614 1.684 1.00 0.00 N ATOM 649 CA LYS A 638 192.045 -1.228 0.391 1.00 0.00 C ATOM 650 C LYS A 638 192.720 0.137 0.475 1.00 0.00 C ATOM 651 O LYS A 638 192.093 1.166 0.227 1.00 0.00 O ATOM 652 CB LYS A 638 190.943 -1.201 -0.669 1.00 0.00 C ATOM 653 CG LYS A 638 190.395 -2.577 -1.014 1.00 0.00 C ATOM 654 CD LYS A 638 191.278 -3.293 -2.024 1.00 0.00 C ATOM 655 CE LYS A 638 190.461 -3.875 -3.167 1.00 0.00 C ATOM 656 NZ LYS A 638 191.195 -3.820 -4.462 1.00 0.00 N ATOM 0 H LYS A 638 190.625 -1.140 1.931 1.00 0.00 H new ATOM 0 HA LYS A 638 192.794 -1.967 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.126 -0.572 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.333 -0.737 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.318 -3.177 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.387 -2.478 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 638 192.016 -2.596 -2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 638 191.828 -4.091 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 638 190.205 -4.910 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 638 189.523 -3.327 -3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 190.603 -4.226 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 191.418 -2.831 -4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 192.078 -4.364 -4.384 1.00 0.00 H new ATOM 763 N LEU A 645 192.053 3.804 4.336 1.00 0.00 N ATOM 764 CA LEU A 645 191.479 2.522 3.947 1.00 0.00 C ATOM 765 C LEU A 645 189.970 2.638 3.756 1.00 0.00 C ATOM 766 O LEU A 645 189.326 3.506 4.346 1.00 0.00 O ATOM 767 CB LEU A 645 191.790 1.458 5.002 1.00 0.00 C ATOM 768 CG LEU A 645 193.228 0.939 4.996 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.486 0.065 6.214 1.00 0.00 C ATOM 770 CD2 LEU A 645 193.512 0.169 3.714 1.00 0.00 C ATOM 0 HA LEU A 645 191.927 2.225 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.574 1.871 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.115 0.615 4.855 1.00 0.00 H new ATOM 0 HG LEU A 645 193.903 1.794 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.515 -0.295 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.325 0.648 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 645 192.804 -0.785 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 645 194.540 -0.193 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 645 192.830 -0.678 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 645 193.370 0.826 2.856 1.00 0.00 H new ATOM 782 N GLY A 646 189.412 1.760 2.928 1.00 0.00 N ATOM 783 CA GLY A 646 187.983 1.786 2.676 1.00 0.00 C ATOM 784 C GLY A 646 187.439 0.438 2.243 1.00 0.00 C ATOM 785 O GLY A 646 188.037 -0.601 2.526 1.00 0.00 O ATOM 0 H GLY A 646 189.923 1.032 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.465 2.109 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 646 187.768 2.525 1.904 1.00 0.00 H new ATOM 789 N ALA A 647 186.300 0.458 1.558 1.00 0.00 N ATOM 790 CA ALA A 647 185.669 -0.769 1.086 1.00 0.00 C ATOM 791 C ALA A 647 185.262 -0.658 -0.380 1.00 0.00 C ATOM 792 O ALA A 647 184.901 0.418 -0.857 1.00 0.00 O ATOM 793 CB ALA A 647 184.459 -1.103 1.945 1.00 0.00 C ATOM 0 H ALA A 647 185.795 1.311 1.317 1.00 0.00 H new ATOM 0 HA ALA A 647 186.399 -1.574 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 647 183.997 -2.021 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.774 -1.240 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.738 -0.288 1.890 1.00 0.00 H new ATOM 799 N PHE A 648 185.321 -1.782 -1.087 1.00 0.00 N ATOM 800 CA PHE A 648 184.956 -1.823 -2.499 1.00 0.00 C ATOM 801 C PHE A 648 184.067 -3.028 -2.790 1.00 0.00 C ATOM 802 O PHE A 648 184.294 -4.116 -2.264 1.00 0.00 O ATOM 803 CB PHE A 648 186.212 -1.883 -3.371 1.00 0.00 C ATOM 804 CG PHE A 648 186.944 -0.574 -3.465 1.00 0.00 C ATOM 805 CD1 PHE A 648 187.923 -0.245 -2.542 1.00 0.00 C ATOM 806 CD2 PHE A 648 186.654 0.325 -4.478 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.599 0.958 -2.627 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.325 1.529 -4.569 1.00 0.00 C ATOM 809 CZ PHE A 648 188.300 1.845 -3.643 1.00 0.00 C ATOM 0 H PHE A 648 185.619 -2.679 -0.704 1.00 0.00 H new ATOM 0 HA PHE A 648 184.402 -0.914 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 648 186.887 -2.639 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 648 185.932 -2.206 -4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 648 188.161 -0.936 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 648 185.894 0.082 -5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.359 1.204 -1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 648 187.088 2.222 -5.363 1.00 0.00 H new ATOM 0 HZ PHE A 648 188.828 2.785 -3.713 1.00 0.00 H new ATOM 819 N ILE A 649 183.056 -2.831 -3.631 1.00 0.00 N ATOM 820 CA ILE A 649 182.143 -3.912 -3.985 1.00 0.00 C ATOM 821 C ILE A 649 182.788 -4.858 -4.993 1.00 0.00 C ATOM 822 O ILE A 649 183.101 -4.467 -6.117 1.00 0.00 O ATOM 823 CB ILE A 649 180.819 -3.369 -4.571 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.074 -2.531 -3.530 1.00 0.00 C ATOM 825 CG2 ILE A 649 179.938 -4.510 -5.061 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.186 -1.467 -4.137 1.00 0.00 C ATOM 0 H ILE A 649 182.849 -1.938 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 649 181.921 -4.456 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 649 181.060 -2.731 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.466 -3.191 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 649 180.800 -2.055 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.012 -4.105 -5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.463 -5.068 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.707 -5.175 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.689 -0.911 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.792 -0.784 -4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.437 -1.938 -4.774 1.00 0.00 H new ATOM 838 N THR A 650 182.994 -6.102 -4.576 1.00 0.00 N ATOM 839 CA THR A 650 183.612 -7.105 -5.435 1.00 0.00 C ATOM 840 C THR A 650 182.626 -7.639 -6.471 1.00 0.00 C ATOM 841 O THR A 650 183.022 -8.023 -7.572 1.00 0.00 O ATOM 842 CB THR A 650 184.164 -8.258 -4.592 1.00 0.00 C ATOM 843 OG1 THR A 650 183.710 -8.169 -3.254 1.00 0.00 O ATOM 844 CG2 THR A 650 185.677 -8.302 -4.559 1.00 0.00 C ATOM 0 H THR A 650 182.742 -6.440 -3.647 1.00 0.00 H new ATOM 0 HA THR A 650 184.433 -6.625 -5.968 1.00 0.00 H new ATOM 0 HB THR A 650 183.797 -9.165 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 650 184.074 -8.916 -2.735 1.00 0.00 H new ATOM 0 HG21 THR A 650 186.003 -9.142 -3.945 1.00 0.00 H new ATOM 0 HG22 THR A 650 186.060 -8.423 -5.572 1.00 0.00 H new ATOM 0 HG23 THR A 650 186.059 -7.373 -4.136 1.00 0.00 H new ATOM 852 N LYS A 651 181.342 -7.672 -6.118 1.00 0.00 N ATOM 853 CA LYS A 651 180.325 -8.173 -7.036 1.00 0.00 C ATOM 854 C LYS A 651 178.916 -7.820 -6.568 1.00 0.00 C ATOM 855 O LYS A 651 178.695 -7.508 -5.398 1.00 0.00 O ATOM 856 CB LYS A 651 180.454 -9.690 -7.189 1.00 0.00 C ATOM 857 CG LYS A 651 180.210 -10.455 -5.897 1.00 0.00 C ATOM 858 CD LYS A 651 181.122 -11.667 -5.788 1.00 0.00 C ATOM 859 CE LYS A 651 180.883 -12.648 -6.926 1.00 0.00 C ATOM 860 NZ LYS A 651 182.154 -13.249 -7.415 1.00 0.00 N ATOM 0 H LYS A 651 180.986 -7.362 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 651 180.489 -7.692 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.746 -10.032 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.452 -9.926 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.376 -9.795 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.169 -10.776 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 651 182.163 -11.343 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 651 180.953 -12.166 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 651 180.213 -13.439 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 651 180.383 -12.136 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 181.949 -13.912 -8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 182.784 -12.497 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 182.619 -13.759 -6.637 1.00 0.00 H new ATOM 874 N VAL A 652 177.969 -7.877 -7.500 1.00 0.00 N ATOM 875 CA VAL A 652 176.572 -7.572 -7.206 1.00 0.00 C ATOM 876 C VAL A 652 175.643 -8.576 -7.880 1.00 0.00 C ATOM 877 O VAL A 652 175.734 -8.803 -9.087 1.00 0.00 O ATOM 878 CB VAL A 652 176.174 -6.150 -7.672 1.00 0.00 C ATOM 879 CG1 VAL A 652 175.898 -5.248 -6.481 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.244 -5.540 -8.565 1.00 0.00 C ATOM 0 H VAL A 652 178.145 -8.133 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 652 176.468 -7.631 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 652 175.259 -6.240 -8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.620 -4.255 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.082 -5.665 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 652 176.793 -5.177 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.934 -4.542 -8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.183 -5.474 -8.015 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.383 -6.167 -9.446 1.00 0.00 H new ATOM 890 N LYS A 653 174.742 -9.164 -7.101 1.00 0.00 N ATOM 891 CA LYS A 653 173.791 -10.130 -7.639 1.00 0.00 C ATOM 892 C LYS A 653 172.575 -9.412 -8.218 1.00 0.00 C ATOM 893 O LYS A 653 171.736 -8.896 -7.480 1.00 0.00 O ATOM 894 CB LYS A 653 173.357 -11.116 -6.550 1.00 0.00 C ATOM 895 CG LYS A 653 173.630 -12.568 -6.902 1.00 0.00 C ATOM 896 CD LYS A 653 173.246 -13.498 -5.762 1.00 0.00 C ATOM 897 CE LYS A 653 174.409 -13.719 -4.808 1.00 0.00 C ATOM 898 NZ LYS A 653 173.964 -13.745 -3.387 1.00 0.00 N ATOM 0 H LYS A 653 174.650 -8.990 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 653 174.279 -10.688 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 653 173.875 -10.872 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.291 -10.991 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 653 173.071 -12.838 -7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 653 174.687 -12.694 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 653 172.401 -13.077 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 653 172.919 -14.456 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 653 174.904 -14.659 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 653 175.145 -12.927 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 174.786 -13.898 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 173.514 -12.838 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 173.281 -14.517 -3.251 1.00 0.00 H new ATOM 912 N LYS A 654 172.492 -9.375 -9.545 1.00 0.00 N ATOM 913 CA LYS A 654 171.387 -8.710 -10.229 1.00 0.00 C ATOM 914 C LYS A 654 170.039 -9.269 -9.781 1.00 0.00 C ATOM 915 O LYS A 654 169.704 -10.417 -10.072 1.00 0.00 O ATOM 916 CB LYS A 654 171.534 -8.860 -11.744 1.00 0.00 C ATOM 917 CG LYS A 654 171.787 -10.290 -12.192 1.00 0.00 C ATOM 918 CD LYS A 654 171.126 -10.579 -13.530 1.00 0.00 C ATOM 919 CE LYS A 654 169.680 -11.015 -13.354 1.00 0.00 C ATOM 920 NZ LYS A 654 168.734 -9.874 -13.495 1.00 0.00 N ATOM 0 H LYS A 654 173.178 -9.799 -10.169 1.00 0.00 H new ATOM 0 HA LYS A 654 171.421 -7.653 -9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 654 170.629 -8.492 -12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 654 172.356 -8.230 -12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 654 172.860 -10.464 -12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 654 171.406 -10.981 -11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 654 171.165 -9.688 -14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 654 171.682 -11.359 -14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 654 169.439 -11.779 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 654 169.555 -11.470 -12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 167.802 -10.230 -13.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 168.644 -9.383 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 169.094 -9.211 -14.211 1.00 0.00 H new ATOM 934 N GLY A 655 169.270 -8.447 -9.072 1.00 0.00 N ATOM 935 CA GLY A 655 167.967 -8.874 -8.597 1.00 0.00 C ATOM 936 C GLY A 655 167.805 -8.676 -7.103 1.00 0.00 C ATOM 937 O GLY A 655 166.704 -8.402 -6.624 1.00 0.00 O ATOM 0 H GLY A 655 169.527 -7.493 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.191 -8.316 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 655 167.822 -9.927 -8.839 1.00 0.00 H new ATOM 941 N SER A 656 168.903 -8.811 -6.368 1.00 0.00 N ATOM 942 CA SER A 656 168.875 -8.642 -4.921 1.00 0.00 C ATOM 943 C SER A 656 168.510 -7.210 -4.549 1.00 0.00 C ATOM 944 O SER A 656 168.366 -6.351 -5.418 1.00 0.00 O ATOM 945 CB SER A 656 170.233 -9.004 -4.318 1.00 0.00 C ATOM 946 OG SER A 656 170.816 -10.104 -4.994 1.00 0.00 O ATOM 0 H SER A 656 169.822 -9.037 -6.750 1.00 0.00 H new ATOM 0 HA SER A 656 168.115 -9.310 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 656 170.900 -8.144 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.112 -9.245 -3.262 1.00 0.00 H new ATOM 0 HG SER A 656 171.498 -10.515 -4.423 1.00 0.00 H new ATOM 952 N LEU A 657 168.361 -6.962 -3.253 1.00 0.00 N ATOM 953 CA LEU A 657 168.013 -5.634 -2.765 1.00 0.00 C ATOM 954 C LEU A 657 169.054 -4.605 -3.189 1.00 0.00 C ATOM 955 O LEU A 657 168.720 -3.554 -3.738 1.00 0.00 O ATOM 956 CB LEU A 657 167.887 -5.644 -1.240 1.00 0.00 C ATOM 957 CG LEU A 657 166.944 -6.710 -0.671 1.00 0.00 C ATOM 958 CD1 LEU A 657 167.722 -7.732 0.145 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.857 -6.066 0.178 1.00 0.00 C ATOM 0 H LEU A 657 168.476 -7.664 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 657 167.054 -5.357 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 657 168.878 -5.791 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.541 -4.663 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 657 166.468 -7.226 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 657 167.035 -8.480 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 657 168.462 -8.218 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 657 168.227 -7.230 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.198 -6.839 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.315 -5.523 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.279 -5.374 -0.435 1.00 0.00 H new ATOM 971 N ALA A 658 170.315 -4.913 -2.919 1.00 0.00 N ATOM 972 CA ALA A 658 171.421 -4.019 -3.255 1.00 0.00 C ATOM 973 C ALA A 658 171.326 -3.513 -4.690 1.00 0.00 C ATOM 974 O ALA A 658 171.803 -2.426 -5.008 1.00 0.00 O ATOM 975 CB ALA A 658 172.749 -4.726 -3.037 1.00 0.00 C ATOM 0 H ALA A 658 170.601 -5.780 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 658 171.358 -3.154 -2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.566 -4.051 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 658 172.835 -5.024 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 658 172.799 -5.611 -3.672 1.00 0.00 H new ATOM 981 N ASP A 659 170.721 -4.315 -5.554 1.00 0.00 N ATOM 982 CA ASP A 659 170.578 -3.952 -6.960 1.00 0.00 C ATOM 983 C ASP A 659 169.317 -3.130 -7.207 1.00 0.00 C ATOM 984 O ASP A 659 169.362 -2.085 -7.855 1.00 0.00 O ATOM 985 CB ASP A 659 170.557 -5.210 -7.829 1.00 0.00 C ATOM 986 CG ASP A 659 171.171 -4.979 -9.196 1.00 0.00 C ATOM 987 OD1 ASP A 659 172.384 -4.686 -9.259 1.00 0.00 O ATOM 988 OD2 ASP A 659 170.440 -5.090 -10.203 1.00 0.00 O ATOM 0 H ASP A 659 170.321 -5.221 -5.309 1.00 0.00 H new ATOM 0 HA ASP A 659 171.436 -3.336 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.098 -6.008 -7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.528 -5.549 -7.949 1.00 0.00 H new ATOM 993 N VAL A 660 168.192 -3.619 -6.703 1.00 0.00 N ATOM 994 CA VAL A 660 166.912 -2.938 -6.886 1.00 0.00 C ATOM 995 C VAL A 660 166.805 -1.667 -6.042 1.00 0.00 C ATOM 996 O VAL A 660 166.364 -0.628 -6.534 1.00 0.00 O ATOM 997 CB VAL A 660 165.714 -3.858 -6.562 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.339 -4.692 -7.777 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.015 -4.754 -5.369 1.00 0.00 C ATOM 0 H VAL A 660 168.137 -4.483 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 660 166.876 -2.664 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 660 164.866 -3.226 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.493 -5.334 -7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.066 -4.033 -8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.189 -5.308 -8.072 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.154 -5.390 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 660 166.881 -5.377 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.226 -4.138 -4.495 1.00 0.00 H new ATOM 1009 N VAL A 661 167.197 -1.748 -4.773 1.00 0.00 N ATOM 1010 CA VAL A 661 167.125 -0.590 -3.885 1.00 0.00 C ATOM 1011 C VAL A 661 168.460 0.146 -3.809 1.00 0.00 C ATOM 1012 O VAL A 661 168.497 1.358 -3.595 1.00 0.00 O ATOM 1013 CB VAL A 661 166.677 -0.992 -2.463 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.678 -1.943 -1.823 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.478 0.244 -1.598 1.00 0.00 C ATOM 0 H VAL A 661 167.565 -2.595 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 661 166.380 0.081 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 661 165.724 -1.514 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.338 -2.210 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 661 167.763 -2.844 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.651 -1.457 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.162 -0.058 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.416 0.796 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.713 0.880 -2.043 1.00 0.00 H new ATOM 1025 N GLY A 662 169.555 -0.586 -3.986 1.00 0.00 N ATOM 1026 CA GLY A 662 170.871 0.028 -3.936 1.00 0.00 C ATOM 1027 C GLY A 662 171.295 0.580 -5.281 1.00 0.00 C ATOM 1028 O GLY A 662 171.614 1.763 -5.405 1.00 0.00 O ATOM 0 H GLY A 662 169.556 -1.591 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.868 0.832 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.601 -0.708 -3.601 1.00 0.00 H new ATOM 1032 N HIS A 663 171.287 -0.279 -6.295 1.00 0.00 N ATOM 1033 CA HIS A 663 171.660 0.117 -7.646 1.00 0.00 C ATOM 1034 C HIS A 663 173.135 0.510 -7.737 1.00 0.00 C ATOM 1035 O HIS A 663 173.464 1.663 -8.023 1.00 0.00 O ATOM 1036 CB HIS A 663 170.772 1.274 -8.121 1.00 0.00 C ATOM 1037 CG HIS A 663 170.059 0.994 -9.408 1.00 0.00 C ATOM 1038 ND1 HIS A 663 169.476 1.980 -10.175 1.00 0.00 N ATOM 1039 CD2 HIS A 663 169.834 -0.171 -10.062 1.00 0.00 C ATOM 1040 CE1 HIS A 663 168.924 1.436 -11.245 1.00 0.00 C ATOM 1041 NE2 HIS A 663 169.129 0.133 -11.200 1.00 0.00 N ATOM 0 H HIS A 663 171.024 -1.260 -6.204 1.00 0.00 H new ATOM 0 HA HIS A 663 171.509 -0.744 -8.297 1.00 0.00 H new ATOM 0 HB2 HIS A 663 170.036 1.497 -7.349 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.386 2.166 -8.242 1.00 0.00 H new ATOM 0 HD2 HIS A 663 170.150 -1.155 -9.747 1.00 0.00 H new ATOM 0 HE1 HIS A 663 168.396 1.967 -12.023 1.00 0.00 H new ATOM 0 HE2 HIS A 663 168.814 -0.540 -11.899 1.00 0.00 H new ATOM 1050 N LEU A 664 174.024 -0.456 -7.518 1.00 0.00 N ATOM 1051 CA LEU A 664 175.456 -0.200 -7.606 1.00 0.00 C ATOM 1052 C LEU A 664 176.142 -1.332 -8.358 1.00 0.00 C ATOM 1053 O LEU A 664 175.507 -2.325 -8.714 1.00 0.00 O ATOM 1054 CB LEU A 664 176.088 -0.014 -6.219 1.00 0.00 C ATOM 1055 CG LEU A 664 175.464 -0.824 -5.082 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.079 -0.300 -4.746 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.409 -2.296 -5.444 1.00 0.00 C ATOM 0 H LEU A 664 173.778 -1.417 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 664 175.597 0.732 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.145 -0.274 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.035 1.043 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 664 176.092 -0.713 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.653 -0.891 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.150 0.743 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.438 -0.376 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 664 174.962 -2.856 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.807 -2.427 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.419 -2.664 -5.627 1.00 0.00 H new ATOM 1069 N ARG A 665 177.432 -1.176 -8.612 1.00 0.00 N ATOM 1070 CA ARG A 665 178.188 -2.187 -9.338 1.00 0.00 C ATOM 1071 C ARG A 665 179.541 -2.437 -8.689 1.00 0.00 C ATOM 1072 O ARG A 665 180.079 -1.574 -7.997 1.00 0.00 O ATOM 1073 CB ARG A 665 178.381 -1.760 -10.794 1.00 0.00 C ATOM 1074 CG ARG A 665 177.087 -1.715 -11.592 1.00 0.00 C ATOM 1075 CD ARG A 665 177.316 -2.072 -13.052 1.00 0.00 C ATOM 1076 NE ARG A 665 176.840 -1.025 -13.953 1.00 0.00 N ATOM 1077 CZ ARG A 665 176.804 -1.146 -15.278 1.00 0.00 C ATOM 1078 NH1 ARG A 665 177.214 -2.267 -15.860 1.00 0.00 N ATOM 1079 NH2 ARG A 665 176.356 -0.145 -16.024 1.00 0.00 N ATOM 0 H ARG A 665 177.977 -0.362 -8.328 1.00 0.00 H new ATOM 0 HA ARG A 665 177.618 -3.116 -9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.846 -0.775 -10.816 1.00 0.00 H new ATOM 0 HB3 ARG A 665 179.073 -2.450 -11.278 1.00 0.00 H new ATOM 0 HG2 ARG A 665 176.366 -2.407 -11.157 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.652 -0.718 -11.525 1.00 0.00 H new ATOM 0 HD2 ARG A 665 178.380 -2.240 -13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 665 176.805 -3.007 -13.281 1.00 0.00 H new ATOM 0 HE ARG A 665 176.516 -0.149 -13.542 1.00 0.00 H new ATOM 0 HH11 ARG A 665 177.559 -3.040 -15.291 1.00 0.00 H new ATOM 0 HH12 ARG A 665 177.184 -2.355 -16.876 1.00 0.00 H new ATOM 0 HH21 ARG A 665 176.039 0.718 -15.582 1.00 0.00 H new ATOM 0 HH22 ARG A 665 176.329 -0.238 -17.039 1.00 0.00 H new ATOM 1093 N ALA A 666 180.089 -3.625 -8.922 1.00 0.00 N ATOM 1094 CA ALA A 666 181.384 -3.990 -8.365 1.00 0.00 C ATOM 1095 C ALA A 666 182.446 -2.970 -8.753 1.00 0.00 C ATOM 1096 O ALA A 666 182.668 -2.709 -9.936 1.00 0.00 O ATOM 1097 CB ALA A 666 181.785 -5.378 -8.829 1.00 0.00 C ATOM 0 H ALA A 666 179.656 -4.351 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 666 181.301 -3.997 -7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 666 182.755 -5.637 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.039 -6.101 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 666 181.849 -5.394 -9.917 1.00 0.00 H new ATOM 1103 N GLY A 667 183.090 -2.388 -7.752 1.00 0.00 N ATOM 1104 CA GLY A 667 184.111 -1.390 -8.007 1.00 0.00 C ATOM 1105 C GLY A 667 183.854 -0.108 -7.240 1.00 0.00 C ATOM 1106 O GLY A 667 184.767 0.688 -7.023 1.00 0.00 O ATOM 0 H GLY A 667 182.924 -2.589 -6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.086 -1.790 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.148 -1.173 -9.075 1.00 0.00 H new ATOM 1110 N ASP A 668 182.605 0.087 -6.825 1.00 0.00 N ATOM 1111 CA ASP A 668 182.226 1.275 -6.072 1.00 0.00 C ATOM 1112 C ASP A 668 182.887 1.269 -4.699 1.00 0.00 C ATOM 1113 O ASP A 668 183.043 0.218 -4.079 1.00 0.00 O ATOM 1114 CB ASP A 668 180.705 1.346 -5.921 1.00 0.00 C ATOM 1115 CG ASP A 668 180.063 2.255 -6.950 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.544 3.395 -7.118 1.00 0.00 O ATOM 1117 OD2 ASP A 668 179.078 1.828 -7.588 1.00 0.00 O ATOM 0 H ASP A 668 181.839 -0.564 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 668 182.567 2.153 -6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.286 0.344 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.458 1.703 -4.921 1.00 0.00 H new ATOM 1122 N GLU A 669 183.280 2.447 -4.229 1.00 0.00 N ATOM 1123 CA GLU A 669 183.929 2.571 -2.931 1.00 0.00 C ATOM 1124 C GLU A 669 182.938 3.022 -1.864 1.00 0.00 C ATOM 1125 O GLU A 669 182.451 4.153 -1.894 1.00 0.00 O ATOM 1126 CB GLU A 669 185.093 3.560 -3.013 1.00 0.00 C ATOM 1127 CG GLU A 669 186.154 3.342 -1.947 1.00 0.00 C ATOM 1128 CD GLU A 669 187.356 4.248 -2.127 1.00 0.00 C ATOM 1129 OE1 GLU A 669 187.637 4.638 -3.279 1.00 0.00 O ATOM 1130 OE2 GLU A 669 188.014 4.568 -1.116 1.00 0.00 O ATOM 0 H GLU A 669 183.160 3.329 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 669 184.312 1.590 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.557 3.482 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.704 4.574 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.717 3.516 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.480 2.302 -1.972 1.00 0.00 H new ATOM 1137 N VAL A 670 182.646 2.134 -0.918 1.00 0.00 N ATOM 1138 CA VAL A 670 181.719 2.448 0.161 1.00 0.00 C ATOM 1139 C VAL A 670 182.472 2.957 1.386 1.00 0.00 C ATOM 1140 O VAL A 670 183.040 2.174 2.147 1.00 0.00 O ATOM 1141 CB VAL A 670 180.866 1.222 0.558 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.085 1.489 1.838 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.921 0.840 -0.570 1.00 0.00 C ATOM 0 H VAL A 670 183.038 1.193 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 670 181.052 3.227 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 670 181.543 0.388 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.494 0.610 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.780 1.708 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.422 2.341 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.329 -0.025 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.257 1.677 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.499 0.594 -1.461 1.00 0.00 H new ATOM 1153 N LEU A 671 182.468 4.272 1.573 1.00 0.00 N ATOM 1154 CA LEU A 671 183.149 4.880 2.710 1.00 0.00 C ATOM 1155 C LEU A 671 182.284 4.823 3.969 1.00 0.00 C ATOM 1156 O LEU A 671 182.689 5.299 5.029 1.00 0.00 O ATOM 1157 CB LEU A 671 183.514 6.337 2.399 1.00 0.00 C ATOM 1158 CG LEU A 671 184.219 6.573 1.058 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.163 5.427 0.727 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.198 6.765 -0.053 1.00 0.00 C ATOM 0 H LEU A 671 182.002 4.936 0.954 1.00 0.00 H new ATOM 0 HA LEU A 671 184.061 4.311 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.602 6.933 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.156 6.710 3.197 1.00 0.00 H new ATOM 0 HG LEU A 671 184.813 7.483 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.649 5.621 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 671 185.919 5.341 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.598 4.497 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.715 6.931 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.575 5.874 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.571 7.627 0.174 1.00 0.00 H new ATOM 1172 N GLU A 672 181.090 4.245 3.851 1.00 0.00 N ATOM 1173 CA GLU A 672 180.180 4.142 4.985 1.00 0.00 C ATOM 1174 C GLU A 672 179.404 2.830 4.959 1.00 0.00 C ATOM 1175 O GLU A 672 178.758 2.502 3.967 1.00 0.00 O ATOM 1176 CB GLU A 672 179.197 5.312 4.974 1.00 0.00 C ATOM 1177 CG GLU A 672 179.840 6.655 5.273 1.00 0.00 C ATOM 1178 CD GLU A 672 179.605 7.108 6.701 1.00 0.00 C ATOM 1179 OE1 GLU A 672 179.598 6.246 7.604 1.00 0.00 O ATOM 1180 OE2 GLU A 672 179.427 8.326 6.916 1.00 0.00 O ATOM 0 H GLU A 672 180.733 3.843 2.984 1.00 0.00 H new ATOM 0 HA GLU A 672 180.779 4.170 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.714 5.360 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.414 5.123 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 672 180.912 6.590 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 672 179.443 7.404 4.588 1.00 0.00 H new ATOM 1187 N TRP A 673 179.460 2.094 6.062 1.00 0.00 N ATOM 1188 CA TRP A 673 178.747 0.827 6.176 1.00 0.00 C ATOM 1189 C TRP A 673 177.953 0.784 7.476 1.00 0.00 C ATOM 1190 O TRP A 673 178.529 0.807 8.564 1.00 0.00 O ATOM 1191 CB TRP A 673 179.722 -0.347 6.126 1.00 0.00 C ATOM 1192 CG TRP A 673 179.046 -1.661 5.883 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.381 -2.425 6.798 1.00 0.00 C ATOM 1194 CD2 TRP A 673 178.962 -2.359 4.638 1.00 0.00 C ATOM 1195 NE1 TRP A 673 177.893 -3.561 6.198 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.237 -3.544 4.871 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.431 -2.099 3.349 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 177.974 -4.464 3.861 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.168 -3.013 2.348 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.444 -4.184 2.609 1.00 0.00 C ATOM 0 H TRP A 673 179.993 2.353 6.892 1.00 0.00 H new ATOM 0 HA TRP A 673 178.059 0.746 5.334 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.454 -0.170 5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.271 -0.396 7.066 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.257 -2.174 7.841 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.362 -4.297 6.664 1.00 0.00 H new ATOM 0 HE3 TRP A 673 179.990 -1.199 3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.418 -5.368 4.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.526 -2.822 1.347 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.254 -4.879 1.805 1.00 0.00 H new ATOM 1211 N ASN A 674 176.632 0.729 7.361 1.00 0.00 N ATOM 1212 CA ASN A 674 175.768 0.691 8.535 1.00 0.00 C ATOM 1213 C ASN A 674 175.880 1.992 9.325 1.00 0.00 C ATOM 1214 O ASN A 674 175.933 1.983 10.555 1.00 0.00 O ATOM 1215 CB ASN A 674 176.130 -0.498 9.429 1.00 0.00 C ATOM 1216 CG ASN A 674 175.033 -0.828 10.422 1.00 0.00 C ATOM 1217 OD1 ASN A 674 175.089 -0.422 11.583 1.00 0.00 O ATOM 1218 ND2 ASN A 674 174.028 -1.568 9.970 1.00 0.00 N ATOM 0 H ASN A 674 176.136 0.710 6.470 1.00 0.00 H new ATOM 0 HA ASN A 674 174.738 0.575 8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.328 -1.371 8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.051 -0.276 9.969 1.00 0.00 H new ATOM 0 HD21 ASN A 674 173.261 -1.822 10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 674 174.023 -1.883 9.000 1.00 0.00 H new ATOM 1225 N GLY A 675 175.908 3.109 8.605 1.00 0.00 N ATOM 1226 CA GLY A 675 176.004 4.408 9.245 1.00 0.00 C ATOM 1227 C GLY A 675 177.298 4.604 10.015 1.00 0.00 C ATOM 1228 O GLY A 675 177.395 5.504 10.849 1.00 0.00 O ATOM 0 H GLY A 675 175.866 3.137 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 675 175.919 5.186 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.162 4.533 9.926 1.00 0.00 H new ATOM 1232 N LYS A 676 178.296 3.766 9.744 1.00 0.00 N ATOM 1233 CA LYS A 676 179.580 3.870 10.428 1.00 0.00 C ATOM 1234 C LYS A 676 180.653 4.396 9.489 1.00 0.00 C ATOM 1235 O LYS A 676 180.645 4.093 8.296 1.00 0.00 O ATOM 1236 CB LYS A 676 179.999 2.498 10.986 1.00 0.00 C ATOM 1237 CG LYS A 676 181.368 1.992 10.509 1.00 0.00 C ATOM 1238 CD LYS A 676 182.364 1.910 11.656 1.00 0.00 C ATOM 1239 CE LYS A 676 181.851 1.025 12.781 1.00 0.00 C ATOM 1240 NZ LYS A 676 182.960 0.489 13.619 1.00 0.00 N ATOM 0 H LYS A 676 178.240 3.012 9.059 1.00 0.00 H new ATOM 0 HA LYS A 676 179.468 4.573 11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.008 2.553 12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.241 1.764 10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.255 1.008 10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 676 181.754 2.658 9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.312 1.518 11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 676 182.560 2.911 12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.166 1.596 13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 676 181.282 0.196 12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 182.715 -0.466 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 183.832 0.446 13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 183.108 1.112 14.438 1.00 0.00 H new ATOM 1254 N PRO A 677 181.618 5.165 10.014 1.00 0.00 N ATOM 1255 CA PRO A 677 182.703 5.679 9.203 1.00 0.00 C ATOM 1256 C PRO A 677 183.797 4.631 9.029 1.00 0.00 C ATOM 1257 O PRO A 677 184.398 4.172 10.001 1.00 0.00 O ATOM 1258 CB PRO A 677 183.211 6.859 10.026 1.00 0.00 C ATOM 1259 CG PRO A 677 182.953 6.467 11.443 1.00 0.00 C ATOM 1260 CD PRO A 677 181.740 5.566 11.429 1.00 0.00 C ATOM 0 HA PRO A 677 182.394 5.954 8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.272 7.037 9.851 1.00 0.00 H new ATOM 0 HB3 PRO A 677 182.686 7.779 9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 677 183.815 5.950 11.865 1.00 0.00 H new ATOM 0 HG3 PRO A 677 182.775 7.346 12.062 1.00 0.00 H new ATOM 0 HD2 PRO A 677 181.875 4.702 12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 677 180.849 6.089 11.775 1.00 0.00 H new ATOM 1268 N LEU A 678 184.038 4.255 7.785 1.00 0.00 N ATOM 1269 CA LEU A 678 185.048 3.255 7.456 1.00 0.00 C ATOM 1270 C LEU A 678 186.434 3.873 7.231 1.00 0.00 C ATOM 1271 O LEU A 678 187.442 3.256 7.572 1.00 0.00 O ATOM 1272 CB LEU A 678 184.621 2.468 6.217 1.00 0.00 C ATOM 1273 CG LEU A 678 183.249 1.798 6.320 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.848 1.196 4.982 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.251 0.734 7.411 1.00 0.00 C ATOM 0 H LEU A 678 183.544 4.630 6.976 1.00 0.00 H new ATOM 0 HA LEU A 678 185.128 2.584 8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.617 3.142 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.369 1.701 6.016 1.00 0.00 H new ATOM 0 HG LEU A 678 182.515 2.558 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.870 0.724 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.802 1.982 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.584 0.450 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.267 0.270 7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 678 183.997 -0.025 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.491 1.196 8.369 1.00 0.00 H new ATOM 1287 N PRO A 679 186.521 5.092 6.649 1.00 0.00 N ATOM 1288 CA PRO A 679 187.809 5.747 6.393 1.00 0.00 C ATOM 1289 C PRO A 679 188.802 5.565 7.537 1.00 0.00 C ATOM 1290 O PRO A 679 188.634 6.128 8.619 1.00 0.00 O ATOM 1291 CB PRO A 679 187.415 7.212 6.242 1.00 0.00 C ATOM 1292 CG PRO A 679 186.059 7.159 5.629 1.00 0.00 C ATOM 1293 CD PRO A 679 185.392 5.926 6.189 1.00 0.00 C ATOM 0 HA PRO A 679 188.320 5.331 5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.398 7.722 7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.119 7.751 5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.487 8.055 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.125 7.107 4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.718 6.174 7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.799 5.413 5.432 1.00 0.00 H new ATOM 1301 N GLY A 680 189.833 4.766 7.286 1.00 0.00 N ATOM 1302 CA GLY A 680 190.840 4.508 8.297 1.00 0.00 C ATOM 1303 C GLY A 680 190.761 3.095 8.849 1.00 0.00 C ATOM 1304 O GLY A 680 191.644 2.663 9.590 1.00 0.00 O ATOM 0 H GLY A 680 189.989 4.291 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 680 191.829 4.673 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.722 5.221 9.113 1.00 0.00 H new ATOM 1308 N ALA A 681 189.702 2.372 8.488 1.00 0.00 N ATOM 1309 CA ALA A 681 189.517 1.004 8.953 1.00 0.00 C ATOM 1310 C ALA A 681 190.037 0.004 7.925 1.00 0.00 C ATOM 1311 O ALA A 681 189.708 0.086 6.742 1.00 0.00 O ATOM 1312 CB ALA A 681 188.047 0.751 9.255 1.00 0.00 C ATOM 0 H ALA A 681 188.961 2.713 7.875 1.00 0.00 H new ATOM 0 HA ALA A 681 190.091 0.869 9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 681 187.918 -0.274 9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 681 187.711 1.441 10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.458 0.905 8.351 1.00 0.00 H new ATOM 1318 N THR A 682 190.852 -0.939 8.385 1.00 0.00 N ATOM 1319 CA THR A 682 191.421 -1.953 7.506 1.00 0.00 C ATOM 1320 C THR A 682 190.458 -3.124 7.330 1.00 0.00 C ATOM 1321 O THR A 682 189.355 -3.121 7.875 1.00 0.00 O ATOM 1322 CB THR A 682 192.759 -2.446 8.062 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.220 -3.577 7.345 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.696 -2.824 9.523 1.00 0.00 C ATOM 0 H THR A 682 191.133 -1.022 9.362 1.00 0.00 H new ATOM 0 HA THR A 682 191.590 -1.501 6.529 1.00 0.00 H new ATOM 0 HB THR A 682 193.443 -1.605 7.949 1.00 0.00 H new ATOM 0 HG1 THR A 682 194.077 -3.873 7.717 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.677 -3.165 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.396 -1.956 10.111 1.00 0.00 H new ATOM 0 HG23 THR A 682 191.969 -3.624 9.661 1.00 0.00 H new ATOM 1332 N ASN A 683 190.883 -4.122 6.560 1.00 0.00 N ATOM 1333 CA ASN A 683 190.064 -5.302 6.302 1.00 0.00 C ATOM 1334 C ASN A 683 189.457 -5.857 7.589 1.00 0.00 C ATOM 1335 O ASN A 683 188.245 -6.048 7.681 1.00 0.00 O ATOM 1336 CB ASN A 683 190.896 -6.387 5.613 1.00 0.00 C ATOM 1337 CG ASN A 683 192.249 -6.585 6.270 1.00 0.00 C ATOM 1338 OD1 ASN A 683 193.198 -5.848 6.001 1.00 0.00 O ATOM 1339 ND2 ASN A 683 192.344 -7.588 7.137 1.00 0.00 N ATOM 0 H ASN A 683 191.794 -4.136 6.102 1.00 0.00 H new ATOM 0 HA ASN A 683 189.249 -4.998 5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 683 190.346 -7.328 5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 683 191.039 -6.121 4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 683 193.229 -7.772 7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 683 191.532 -8.174 7.330 1.00 0.00 H new ATOM 1346 N GLU A 684 190.306 -6.119 8.577 1.00 0.00 N ATOM 1347 CA GLU A 684 189.849 -6.659 9.851 1.00 0.00 C ATOM 1348 C GLU A 684 188.840 -5.731 10.515 1.00 0.00 C ATOM 1349 O GLU A 684 187.904 -6.188 11.170 1.00 0.00 O ATOM 1350 CB GLU A 684 191.034 -6.898 10.787 1.00 0.00 C ATOM 1351 CG GLU A 684 191.927 -5.679 10.962 1.00 0.00 C ATOM 1352 CD GLU A 684 191.998 -5.208 12.402 1.00 0.00 C ATOM 1353 OE1 GLU A 684 192.620 -5.911 13.226 1.00 0.00 O ATOM 1354 OE2 GLU A 684 191.432 -4.137 12.704 1.00 0.00 O ATOM 0 H GLU A 684 191.313 -5.966 8.520 1.00 0.00 H new ATOM 0 HA GLU A 684 189.357 -7.610 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 684 190.659 -7.206 11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 684 191.632 -7.723 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 684 192.932 -5.916 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 684 191.554 -4.868 10.337 1.00 0.00 H new ATOM 1361 N GLU A 685 189.022 -4.429 10.333 1.00 0.00 N ATOM 1362 CA GLU A 685 188.109 -3.457 10.910 1.00 0.00 C ATOM 1363 C GLU A 685 186.725 -3.630 10.301 1.00 0.00 C ATOM 1364 O GLU A 685 185.762 -3.950 10.997 1.00 0.00 O ATOM 1365 CB GLU A 685 188.617 -2.035 10.670 1.00 0.00 C ATOM 1366 CG GLU A 685 188.910 -1.270 11.951 1.00 0.00 C ATOM 1367 CD GLU A 685 190.312 -0.692 11.977 1.00 0.00 C ATOM 1368 OE1 GLU A 685 191.264 -1.427 11.638 1.00 0.00 O ATOM 1369 OE2 GLU A 685 190.458 0.494 12.338 1.00 0.00 O ATOM 0 H GLU A 685 189.789 -4.026 9.794 1.00 0.00 H new ATOM 0 HA GLU A 685 188.051 -3.623 11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.524 -2.079 10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 685 187.875 -1.486 10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 685 188.186 -0.463 12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 685 188.779 -1.935 12.805 1.00 0.00 H new ATOM 1376 N VAL A 686 186.643 -3.438 8.988 1.00 0.00 N ATOM 1377 CA VAL A 686 185.388 -3.590 8.266 1.00 0.00 C ATOM 1378 C VAL A 686 184.731 -4.928 8.602 1.00 0.00 C ATOM 1379 O VAL A 686 183.521 -5.000 8.815 1.00 0.00 O ATOM 1380 CB VAL A 686 185.610 -3.490 6.744 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.319 -3.769 5.989 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.167 -2.120 6.377 1.00 0.00 C ATOM 0 H VAL A 686 187.435 -3.176 8.402 1.00 0.00 H new ATOM 0 HA VAL A 686 184.728 -2.780 8.577 1.00 0.00 H new ATOM 0 HB VAL A 686 186.339 -4.246 6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.501 -3.693 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 686 183.968 -4.773 6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.562 -3.041 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.318 -2.066 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.463 -1.347 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.119 -1.966 6.885 1.00 0.00 H new ATOM 1392 N TYR A 687 185.543 -5.982 8.656 1.00 0.00 N ATOM 1393 CA TYR A 687 185.048 -7.320 8.977 1.00 0.00 C ATOM 1394 C TYR A 687 184.111 -7.278 10.177 1.00 0.00 C ATOM 1395 O TYR A 687 183.032 -7.866 10.157 1.00 0.00 O ATOM 1396 CB TYR A 687 186.219 -8.266 9.274 1.00 0.00 C ATOM 1397 CG TYR A 687 186.912 -8.808 8.041 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.790 -8.174 6.812 1.00 0.00 C ATOM 1399 CD2 TYR A 687 187.690 -9.958 8.110 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.422 -8.668 5.686 1.00 0.00 C ATOM 1401 CE2 TYR A 687 188.326 -10.458 6.990 1.00 0.00 C ATOM 1402 CZ TYR A 687 188.189 -9.809 5.781 1.00 0.00 C ATOM 1403 OH TYR A 687 188.820 -10.304 4.663 1.00 0.00 O ATOM 0 H TYR A 687 186.547 -5.936 8.482 1.00 0.00 H new ATOM 0 HA TYR A 687 184.496 -7.690 8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 687 186.951 -7.738 9.885 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.853 -9.103 9.868 1.00 0.00 H new ATOM 0 HD1 TYR A 687 186.191 -7.279 6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 687 187.799 -10.469 9.055 1.00 0.00 H new ATOM 0 HE1 TYR A 687 187.315 -8.163 4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 687 188.927 -11.352 7.061 1.00 0.00 H new ATOM 0 HH TYR A 687 189.321 -11.112 4.901 1.00 0.00 H new ATOM 1413 N ASN A 688 184.535 -6.573 11.218 1.00 0.00 N ATOM 1414 CA ASN A 688 183.739 -6.443 12.433 1.00 0.00 C ATOM 1415 C ASN A 688 182.513 -5.571 12.187 1.00 0.00 C ATOM 1416 O ASN A 688 181.409 -5.896 12.625 1.00 0.00 O ATOM 1417 CB ASN A 688 184.585 -5.847 13.560 1.00 0.00 C ATOM 1418 CG ASN A 688 185.604 -6.831 14.100 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.249 -7.839 14.709 1.00 0.00 O ATOM 1420 ND2 ASN A 688 186.882 -6.541 13.877 1.00 0.00 N ATOM 0 H ASN A 688 185.428 -6.081 11.246 1.00 0.00 H new ATOM 0 HA ASN A 688 183.403 -7.437 12.727 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.100 -4.959 13.193 1.00 0.00 H new ATOM 0 HB3 ASN A 688 183.931 -5.524 14.370 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.613 -7.166 14.216 1.00 0.00 H new ATOM 0 HD22 ASN A 688 187.131 -5.694 13.367 1.00 0.00 H new ATOM 1427 N ILE A 689 182.715 -4.462 11.481 1.00 0.00 N ATOM 1428 CA ILE A 689 181.627 -3.541 11.174 1.00 0.00 C ATOM 1429 C ILE A 689 180.503 -4.254 10.426 1.00 0.00 C ATOM 1430 O ILE A 689 179.378 -4.347 10.920 1.00 0.00 O ATOM 1431 CB ILE A 689 182.132 -2.340 10.338 1.00 0.00 C ATOM 1432 CG1 ILE A 689 182.900 -1.363 11.228 1.00 0.00 C ATOM 1433 CG2 ILE A 689 180.975 -1.624 9.649 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.380 -1.660 11.325 1.00 0.00 C ATOM 0 H ILE A 689 183.623 -4.180 11.111 1.00 0.00 H new ATOM 0 HA ILE A 689 181.238 -3.168 12.121 1.00 0.00 H new ATOM 0 HB ILE A 689 182.801 -2.722 9.567 1.00 0.00 H new ATOM 0 HG12 ILE A 689 182.766 -0.352 10.842 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.469 -1.382 12.229 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.360 -0.785 9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.461 -2.319 8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.276 -1.256 10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 689 184.857 -0.925 11.973 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.524 -2.657 11.740 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.827 -1.612 10.332 1.00 0.00 H new ATOM 1446 N ILE A 690 180.810 -4.752 9.233 1.00 0.00 N ATOM 1447 CA ILE A 690 179.822 -5.450 8.420 1.00 0.00 C ATOM 1448 C ILE A 690 179.211 -6.623 9.183 1.00 0.00 C ATOM 1449 O ILE A 690 177.997 -6.682 9.374 1.00 0.00 O ATOM 1450 CB ILE A 690 180.433 -5.951 7.096 1.00 0.00 C ATOM 1451 CG1 ILE A 690 180.989 -4.762 6.300 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.390 -6.714 6.285 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.184 -5.035 4.823 1.00 0.00 C ATOM 0 H ILE A 690 181.735 -4.685 8.808 1.00 0.00 H new ATOM 0 HA ILE A 690 179.035 -4.733 8.188 1.00 0.00 H new ATOM 0 HB ILE A 690 181.253 -6.636 7.315 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.312 -3.915 6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 690 181.945 -4.466 6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.836 -7.061 5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 690 179.037 -7.570 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.550 -6.056 6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.579 -4.143 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 690 181.886 -5.859 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.227 -5.300 4.372 1.00 0.00 H new ATOM 1465 N LEU A 691 180.055 -7.556 9.620 1.00 0.00 N ATOM 1466 CA LEU A 691 179.583 -8.722 10.366 1.00 0.00 C ATOM 1467 C LEU A 691 178.624 -8.310 11.476 1.00 0.00 C ATOM 1468 O LEU A 691 177.525 -8.851 11.598 1.00 0.00 O ATOM 1469 CB LEU A 691 180.767 -9.487 10.963 1.00 0.00 C ATOM 1470 CG LEU A 691 181.498 -10.426 9.996 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.444 -9.894 8.570 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.940 -10.623 10.439 1.00 0.00 C ATOM 0 H LEU A 691 181.064 -7.528 9.472 1.00 0.00 H new ATOM 0 HA LEU A 691 179.050 -9.371 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.484 -8.765 11.354 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.410 -10.072 11.810 1.00 0.00 H new ATOM 0 HG LEU A 691 180.993 -11.392 10.013 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.970 -10.580 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.405 -9.808 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.919 -8.914 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.446 -11.292 9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.451 -9.660 10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.957 -11.058 11.438 1.00 0.00 H new ATOM 1484 N GLU A 692 179.049 -7.348 12.280 1.00 0.00 N ATOM 1485 CA GLU A 692 178.231 -6.852 13.380 1.00 0.00 C ATOM 1486 C GLU A 692 176.892 -6.326 12.867 1.00 0.00 C ATOM 1487 O GLU A 692 175.889 -6.353 13.579 1.00 0.00 O ATOM 1488 CB GLU A 692 178.969 -5.746 14.136 1.00 0.00 C ATOM 1489 CG GLU A 692 180.002 -6.268 15.122 1.00 0.00 C ATOM 1490 CD GLU A 692 179.421 -6.512 16.501 1.00 0.00 C ATOM 1491 OE1 GLU A 692 178.649 -7.481 16.657 1.00 0.00 O ATOM 1492 OE2 GLU A 692 179.738 -5.734 17.425 1.00 0.00 O ATOM 0 H GLU A 692 179.958 -6.893 12.193 1.00 0.00 H new ATOM 0 HA GLU A 692 178.040 -7.682 14.060 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.463 -5.093 13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.242 -5.137 14.673 1.00 0.00 H new ATOM 0 HG2 GLU A 692 180.426 -7.197 14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.820 -5.552 15.198 1.00 0.00 H new ATOM 1499 N SER A 693 176.887 -5.847 11.626 1.00 0.00 N ATOM 1500 CA SER A 693 175.673 -5.313 11.017 1.00 0.00 C ATOM 1501 C SER A 693 174.924 -6.388 10.229 1.00 0.00 C ATOM 1502 O SER A 693 173.773 -6.189 9.840 1.00 0.00 O ATOM 1503 CB SER A 693 176.013 -4.137 10.099 1.00 0.00 C ATOM 1504 OG SER A 693 177.281 -4.309 9.495 1.00 0.00 O ATOM 0 H SER A 693 177.709 -5.818 11.023 1.00 0.00 H new ATOM 0 HA SER A 693 175.023 -4.967 11.821 1.00 0.00 H new ATOM 0 HB2 SER A 693 175.249 -4.042 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 693 176.003 -3.210 10.672 1.00 0.00 H new ATOM 0 HG SER A 693 177.984 -4.078 10.138 1.00 0.00 H new ATOM 1510 N LYS A 694 175.573 -7.527 9.998 1.00 0.00 N ATOM 1511 CA LYS A 694 174.948 -8.620 9.259 1.00 0.00 C ATOM 1512 C LYS A 694 173.663 -9.079 9.946 1.00 0.00 C ATOM 1513 O LYS A 694 172.798 -9.689 9.317 1.00 0.00 O ATOM 1514 CB LYS A 694 175.914 -9.798 9.128 1.00 0.00 C ATOM 1515 CG LYS A 694 176.986 -9.591 8.071 1.00 0.00 C ATOM 1516 CD LYS A 694 177.786 -10.862 7.836 1.00 0.00 C ATOM 1517 CE LYS A 694 178.383 -10.895 6.438 1.00 0.00 C ATOM 1518 NZ LYS A 694 177.735 -11.926 5.584 1.00 0.00 N ATOM 0 H LYS A 694 176.526 -7.716 10.310 1.00 0.00 H new ATOM 0 HA LYS A 694 174.698 -8.252 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 694 176.394 -9.972 10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 694 175.347 -10.697 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 694 176.522 -9.274 7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 694 177.656 -8.790 8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 694 178.584 -10.933 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 694 177.142 -11.730 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 694 178.272 -9.916 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 694 179.452 -11.097 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 177.776 -11.628 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 178.233 -12.832 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 176.742 -12.040 5.870 1.00 0.00 H new ATOM 1532 N SER A 695 173.546 -8.786 11.237 1.00 0.00 N ATOM 1533 CA SER A 695 172.366 -9.172 12.003 1.00 0.00 C ATOM 1534 C SER A 695 171.362 -8.024 12.106 1.00 0.00 C ATOM 1535 O SER A 695 170.334 -8.149 12.772 1.00 0.00 O ATOM 1536 CB SER A 695 172.774 -9.631 13.405 1.00 0.00 C ATOM 1537 OG SER A 695 174.123 -10.064 13.427 1.00 0.00 O ATOM 0 H SER A 695 174.253 -8.283 11.774 1.00 0.00 H new ATOM 0 HA SER A 695 171.884 -9.995 11.476 1.00 0.00 H new ATOM 0 HB2 SER A 695 172.640 -8.813 14.112 1.00 0.00 H new ATOM 0 HB3 SER A 695 172.123 -10.443 13.729 1.00 0.00 H new ATOM 0 HG SER A 695 174.360 -10.350 14.334 1.00 0.00 H new ATOM 1543 N GLU A 696 171.660 -6.905 11.446 1.00 0.00 N ATOM 1544 CA GLU A 696 170.773 -5.749 11.474 1.00 0.00 C ATOM 1545 C GLU A 696 169.740 -5.835 10.351 1.00 0.00 C ATOM 1546 O GLU A 696 170.096 -5.982 9.183 1.00 0.00 O ATOM 1547 CB GLU A 696 171.581 -4.456 11.340 1.00 0.00 C ATOM 1548 CG GLU A 696 172.117 -3.933 12.662 1.00 0.00 C ATOM 1549 CD GLU A 696 171.235 -2.856 13.263 1.00 0.00 C ATOM 1550 OE1 GLU A 696 170.014 -3.087 13.385 1.00 0.00 O ATOM 1551 OE2 GLU A 696 171.766 -1.782 13.613 1.00 0.00 O ATOM 0 H GLU A 696 172.505 -6.777 10.889 1.00 0.00 H new ATOM 0 HA GLU A 696 170.250 -5.744 12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.417 -4.628 10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.953 -3.691 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 696 172.206 -4.760 13.367 1.00 0.00 H new ATOM 0 HG3 GLU A 696 173.120 -3.534 12.511 1.00 0.00 H new ATOM 1558 N PRO A 697 168.439 -5.746 10.688 1.00 0.00 N ATOM 1559 CA PRO A 697 167.362 -5.818 9.695 1.00 0.00 C ATOM 1560 C PRO A 697 167.499 -4.759 8.604 1.00 0.00 C ATOM 1561 O PRO A 697 166.880 -4.867 7.545 1.00 0.00 O ATOM 1562 CB PRO A 697 166.092 -5.571 10.516 1.00 0.00 C ATOM 1563 CG PRO A 697 166.463 -5.926 11.914 1.00 0.00 C ATOM 1564 CD PRO A 697 167.915 -5.573 12.057 1.00 0.00 C ATOM 0 HA PRO A 697 167.367 -6.773 9.169 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.771 -4.532 10.444 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.265 -6.185 10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 697 165.855 -5.375 12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 697 166.298 -6.987 12.104 1.00 0.00 H new ATOM 0 HD2 PRO A 697 168.048 -4.552 12.413 1.00 0.00 H new ATOM 0 HD3 PRO A 697 168.421 -6.227 12.768 1.00 0.00 H new ATOM 1572 N GLN A 698 168.307 -3.734 8.864 1.00 0.00 N ATOM 1573 CA GLN A 698 168.509 -2.662 7.895 1.00 0.00 C ATOM 1574 C GLN A 698 169.966 -2.211 7.866 1.00 0.00 C ATOM 1575 O GLN A 698 170.674 -2.294 8.869 1.00 0.00 O ATOM 1576 CB GLN A 698 167.603 -1.474 8.221 1.00 0.00 C ATOM 1577 CG GLN A 698 167.409 -0.518 7.053 1.00 0.00 C ATOM 1578 CD GLN A 698 167.899 0.884 7.359 1.00 0.00 C ATOM 1579 OE1 GLN A 698 169.088 1.101 7.599 1.00 0.00 O ATOM 1580 NE2 GLN A 698 166.984 1.846 7.351 1.00 0.00 N ATOM 0 H GLN A 698 168.830 -3.624 9.733 1.00 0.00 H new ATOM 0 HA GLN A 698 168.252 -3.050 6.909 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.630 -1.847 8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 698 168.026 -0.925 9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 698 167.940 -0.902 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 698 166.352 -0.480 6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 698 166.010 1.622 7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 698 167.255 2.809 7.549 1.00 0.00 H new ATOM 1589 N VAL A 699 170.405 -1.737 6.704 1.00 0.00 N ATOM 1590 CA VAL A 699 171.775 -1.273 6.530 1.00 0.00 C ATOM 1591 C VAL A 699 171.816 0.009 5.702 1.00 0.00 C ATOM 1592 O VAL A 699 170.983 0.220 4.820 1.00 0.00 O ATOM 1593 CB VAL A 699 172.648 -2.346 5.841 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.018 -1.786 5.471 1.00 0.00 C ATOM 1595 CG2 VAL A 699 172.790 -3.570 6.732 1.00 0.00 C ATOM 0 H VAL A 699 169.828 -1.664 5.866 1.00 0.00 H new ATOM 0 HA VAL A 699 172.174 -1.075 7.525 1.00 0.00 H new ATOM 0 HB VAL A 699 172.150 -2.646 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.610 -2.563 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 699 173.895 -0.946 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.529 -1.448 6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.408 -4.315 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.260 -3.283 7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 699 171.805 -3.991 6.932 1.00 0.00 H new ATOM 1605 N GLU A 700 172.801 0.852 5.987 1.00 0.00 N ATOM 1606 CA GLU A 700 172.971 2.107 5.267 1.00 0.00 C ATOM 1607 C GLU A 700 174.408 2.240 4.780 1.00 0.00 C ATOM 1608 O GLU A 700 175.325 2.441 5.576 1.00 0.00 O ATOM 1609 CB GLU A 700 172.611 3.295 6.161 1.00 0.00 C ATOM 1610 CG GLU A 700 173.333 3.296 7.497 1.00 0.00 C ATOM 1611 CD GLU A 700 172.404 3.576 8.663 1.00 0.00 C ATOM 1612 OE1 GLU A 700 172.006 4.746 8.836 1.00 0.00 O ATOM 1613 OE2 GLU A 700 172.077 2.624 9.403 1.00 0.00 O ATOM 0 H GLU A 700 173.497 0.688 6.715 1.00 0.00 H new ATOM 0 HA GLU A 700 172.301 2.104 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 700 172.843 4.219 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 700 171.536 3.291 6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.815 2.330 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 700 174.123 4.047 7.478 1.00 0.00 H new ATOM 1620 N ILE A 701 174.603 2.122 3.471 1.00 0.00 N ATOM 1621 CA ILE A 701 175.937 2.223 2.895 1.00 0.00 C ATOM 1622 C ILE A 701 176.044 3.414 1.955 1.00 0.00 C ATOM 1623 O ILE A 701 175.156 3.664 1.142 1.00 0.00 O ATOM 1624 CB ILE A 701 176.339 0.942 2.135 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.112 0.274 1.506 1.00 0.00 C ATOM 1626 CG2 ILE A 701 177.057 -0.017 3.072 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.413 -1.055 0.848 1.00 0.00 C ATOM 0 H ILE A 701 173.859 1.957 2.793 1.00 0.00 H new ATOM 0 HA ILE A 701 176.622 2.360 3.732 1.00 0.00 H new ATOM 0 HB ILE A 701 177.020 1.215 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.356 0.125 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.683 0.948 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.337 -0.918 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.954 0.462 3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.396 -0.283 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.497 -1.467 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.146 -0.910 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.813 -1.746 1.590 1.00 0.00 H new ATOM 1639 N ILE A 702 177.146 4.143 2.075 1.00 0.00 N ATOM 1640 CA ILE A 702 177.388 5.311 1.241 1.00 0.00 C ATOM 1641 C ILE A 702 178.606 5.089 0.355 1.00 0.00 C ATOM 1642 O ILE A 702 179.560 4.426 0.760 1.00 0.00 O ATOM 1643 CB ILE A 702 177.595 6.577 2.096 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.604 6.603 3.267 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.447 7.828 1.243 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.156 6.448 2.848 1.00 0.00 C ATOM 0 H ILE A 702 177.889 3.944 2.745 1.00 0.00 H new ATOM 0 HA ILE A 702 176.507 5.457 0.615 1.00 0.00 H new ATOM 0 HB ILE A 702 178.606 6.556 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.858 5.804 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.718 7.544 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.596 8.711 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.190 7.815 0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.448 7.855 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.517 6.476 3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.883 7.261 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.025 5.495 2.336 1.00 0.00 H new ATOM 1658 N VAL A 703 178.568 5.635 -0.855 1.00 0.00 N ATOM 1659 CA VAL A 703 179.675 5.477 -1.790 1.00 0.00 C ATOM 1660 C VAL A 703 180.112 6.811 -2.382 1.00 0.00 C ATOM 1661 O VAL A 703 179.549 7.860 -2.066 1.00 0.00 O ATOM 1662 CB VAL A 703 179.303 4.525 -2.940 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.240 3.090 -2.443 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.983 4.938 -3.573 1.00 0.00 C ATOM 0 H VAL A 703 177.788 6.188 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 703 180.501 5.055 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 703 180.078 4.587 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.976 2.430 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.212 2.800 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.487 3.009 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.738 4.252 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.194 4.908 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.070 5.950 -3.968 1.00 0.00 H new ATOM 1674 N SER A 704 181.122 6.757 -3.243 1.00 0.00 N ATOM 1675 CA SER A 704 181.646 7.957 -3.887 1.00 0.00 C ATOM 1676 C SER A 704 182.125 7.648 -5.302 1.00 0.00 C ATOM 1677 O SER A 704 183.052 6.862 -5.496 1.00 0.00 O ATOM 1678 CB SER A 704 182.795 8.543 -3.064 1.00 0.00 C ATOM 1679 OG SER A 704 183.863 7.621 -2.949 1.00 0.00 O ATOM 0 H SER A 704 181.595 5.894 -3.512 1.00 0.00 H new ATOM 0 HA SER A 704 180.841 8.689 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 704 183.151 9.460 -3.533 1.00 0.00 H new ATOM 0 HB3 SER A 704 182.435 8.812 -2.071 1.00 0.00 H new ATOM 0 HG SER A 704 183.950 7.115 -3.784 1.00 0.00 H new ATOM 1741 N GLY B 945 186.061 -9.944 0.544 1.00 0.00 N ATOM 1742 CA GLY B 945 186.317 -9.776 1.963 1.00 0.00 C ATOM 1743 C GLY B 945 185.114 -10.087 2.836 1.00 0.00 C ATOM 1744 O GLY B 945 185.236 -10.801 3.831 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.144 -10.423 2.254 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.635 -8.750 2.148 1.00 0.00 H new ATOM 1748 N ILE B 946 183.954 -9.544 2.479 1.00 0.00 N ATOM 1749 CA ILE B 946 182.740 -9.766 3.260 1.00 0.00 C ATOM 1750 C ILE B 946 181.539 -10.026 2.363 1.00 0.00 C ATOM 1751 O ILE B 946 181.459 -9.517 1.245 1.00 0.00 O ATOM 1752 CB ILE B 946 182.404 -8.563 4.181 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.447 -7.446 4.042 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.293 -9.019 5.633 1.00 0.00 C ATOM 1755 CD1 ILE B 946 184.665 -7.641 4.910 1.00 0.00 C ATOM 0 H ILE B 946 183.828 -8.950 1.659 1.00 0.00 H new ATOM 0 HA ILE B 946 182.942 -10.643 3.875 1.00 0.00 H new ATOM 0 HB ILE B 946 181.441 -8.158 3.868 1.00 0.00 H new ATOM 0 HG12 ILE B 946 183.761 -7.382 3.000 1.00 0.00 H new ATOM 0 HG13 ILE B 946 182.981 -6.493 4.294 1.00 0.00 H new ATOM 0 HG21 ILE B 946 182.057 -8.164 6.266 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.503 -9.764 5.721 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.240 -9.455 5.951 1.00 0.00 H new ATOM 0 HD11 ILE B 946 185.357 -6.813 4.758 1.00 0.00 H new ATOM 0 HD12 ILE B 946 184.364 -7.674 5.957 1.00 0.00 H new ATOM 0 HD13 ILE B 946 185.156 -8.577 4.643 1.00 0.00 H new ATOM 1767 N TRP B 947 180.594 -10.799 2.880 1.00 0.00 N ATOM 1768 CA TRP B 947 179.374 -11.110 2.151 1.00 0.00 C ATOM 1769 C TRP B 947 178.266 -10.161 2.579 1.00 0.00 C ATOM 1770 O TRP B 947 177.910 -10.102 3.757 1.00 0.00 O ATOM 1771 CB TRP B 947 178.949 -12.562 2.390 1.00 0.00 C ATOM 1772 CG TRP B 947 179.111 -13.439 1.183 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.625 -14.705 1.156 1.00 0.00 C ATOM 1774 CD2 TRP B 947 178.755 -13.124 -0.172 1.00 0.00 C ATOM 1775 NE1 TRP B 947 179.612 -15.193 -0.128 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.083 -14.243 -0.960 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.191 -12.005 -0.795 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 178.866 -14.275 -2.337 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 177.977 -12.039 -2.161 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.313 -13.168 -2.918 1.00 0.00 C ATOM 0 H TRP B 947 180.650 -11.224 3.806 1.00 0.00 H new ATOM 0 HA TRP B 947 179.564 -10.985 1.085 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.537 -12.974 3.210 1.00 0.00 H new ATOM 0 HB3 TRP B 947 177.906 -12.580 2.705 1.00 0.00 H new ATOM 0 HD1 TRP B 947 179.989 -15.243 2.019 1.00 0.00 H new ATOM 0 HE1 TRP B 947 179.943 -16.114 -0.415 1.00 0.00 H new ATOM 0 HE3 TRP B 947 177.927 -11.130 -0.219 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.126 -15.144 -2.924 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.543 -11.180 -2.652 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.132 -13.164 -3.983 1.00 0.00 H new ATOM 1791 N ALA B 948 177.728 -9.416 1.625 1.00 0.00 N ATOM 1792 CA ALA B 948 176.661 -8.471 1.909 1.00 0.00 C ATOM 1793 C ALA B 948 175.709 -8.364 0.725 1.00 0.00 C ATOM 1794 O ALA B 948 175.237 -9.416 0.247 1.00 0.00 O ATOM 1795 CB ALA B 948 177.243 -7.109 2.257 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.447 -7.229 0.276 1.00 0.00 O ATOM 0 H ALA B 948 178.014 -9.448 0.646 1.00 0.00 H new ATOM 0 HA ALA B 948 176.094 -8.834 2.766 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.433 -6.410 2.468 1.00 0.00 H new ATOM 0 HB2 ALA B 948 177.882 -7.200 3.136 1.00 0.00 H new ATOM 0 HB3 ALA B 948 177.832 -6.740 1.417 1.00 0.00 H new