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= -0.391! USER MOD Set 1.2: A 683 ASN : amide:sc= -1.2 X(o=-1.6,f=-1.9) USER MOD Single : A 617 ASN : amide:sc= -2.25 K(o=-2.3,f=-4.4!) USER MOD Single : A 618 LYS NZ :NH3+ -142:sc= 1.21 (180deg=0.111) USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 THR OG1 : rot -130:sc= -1.92 USER MOD Single : A 651 LYS NZ :NH3+ -143:sc= -0.142 (180deg=-0.674) 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 -170:sc= -1.03 USER MOD Single : A 663 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.0088) USER MOD Single : A 674 ASN :FLIP amide:sc= -0.619 F(o=-1.4,f=-0.62) USER MOD Single : A 676 LYS NZ :NH3+ -151:sc= -1.05 (180deg=-2.11) USER MOD Single : A 687 TYR OH : rot -65:sc= 0.595 USER MOD Single : A 688 ASN : amide:sc= 0.332 X(o=0.33,f=0) USER MOD Single : A 693 SER OG : rot 74:sc= 1.2 USER MOD Single : A 694 LYS NZ :NH3+ -155:sc= -1.76! (180deg=-2.61!) USER MOD Single : A 695 SER OG : rot 180:sc= 0 USER MOD Single : A 698 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 704 SER OG : rot 180:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.147 9.542 -2.751 1.00 0.00 N ATOM 248 CA GLY A 612 174.780 9.134 -2.487 1.00 0.00 C ATOM 249 C GLY A 612 174.665 8.231 -1.275 1.00 0.00 C ATOM 250 O GLY A 612 175.656 7.657 -0.825 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.163 10.020 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.384 8.616 -3.360 1.00 0.00 H new ATOM 254 N ARG A 613 173.450 8.096 -0.755 1.00 0.00 N ATOM 255 CA ARG A 613 173.204 7.247 0.404 1.00 0.00 C ATOM 256 C ARG A 613 172.431 6.001 -0.008 1.00 0.00 C ATOM 257 O ARG A 613 171.353 6.099 -0.596 1.00 0.00 O ATOM 258 CB ARG A 613 172.429 8.015 1.476 1.00 0.00 C ATOM 259 CG ARG A 613 171.158 8.668 0.957 1.00 0.00 C ATOM 260 CD ARG A 613 170.007 8.510 1.939 1.00 0.00 C ATOM 261 NE ARG A 613 169.177 9.710 2.009 1.00 0.00 N ATOM 262 CZ ARG A 613 168.322 9.964 2.996 1.00 0.00 C ATOM 263 NH1 ARG A 613 168.180 9.104 3.998 1.00 0.00 N ATOM 264 NH2 ARG A 613 167.606 11.080 2.983 1.00 0.00 N ATOM 0 H ARG A 613 172.620 8.564 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 613 174.165 6.944 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 613 172.172 7.332 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 613 173.076 8.783 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 613 171.340 9.727 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 613 170.884 8.224 0.000 1.00 0.00 H new ATOM 0 HD2 ARG A 613 169.392 7.661 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 613 170.404 8.286 2.929 1.00 0.00 H new ATOM 0 HE ARG A 613 169.258 10.394 1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 613 168.728 8.244 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 613 167.523 9.304 4.752 1.00 0.00 H new ATOM 0 HH21 ARG A 613 167.711 11.744 2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 613 166.951 11.274 3.740 1.00 0.00 H new ATOM 278 N VAL A 614 172.988 4.829 0.283 1.00 0.00 N ATOM 279 CA VAL A 614 172.342 3.578 -0.083 1.00 0.00 C ATOM 280 C VAL A 614 171.888 2.801 1.146 1.00 0.00 C ATOM 281 O VAL A 614 172.685 2.496 2.030 1.00 0.00 O ATOM 282 CB VAL A 614 173.282 2.693 -0.925 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.590 1.400 -1.331 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.770 3.451 -2.151 1.00 0.00 C ATOM 0 H VAL A 614 173.879 4.722 0.768 1.00 0.00 H new ATOM 0 HA VAL A 614 171.466 3.838 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 614 174.146 2.434 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.273 0.792 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.296 0.849 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.704 1.632 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.433 2.812 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.916 3.742 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.312 4.343 -1.836 1.00 0.00 H new ATOM 294 N ILE A 615 170.603 2.472 1.184 1.00 0.00 N ATOM 295 CA ILE A 615 170.041 1.715 2.294 1.00 0.00 C ATOM 296 C ILE A 615 169.682 0.305 1.843 1.00 0.00 C ATOM 297 O ILE A 615 168.872 0.124 0.934 1.00 0.00 O ATOM 298 CB ILE A 615 168.784 2.394 2.875 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.971 3.912 2.933 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.479 1.841 4.258 1.00 0.00 C ATOM 301 CD1 ILE A 615 170.182 4.343 3.731 1.00 0.00 C ATOM 0 H ILE A 615 169.930 2.718 0.458 1.00 0.00 H new ATOM 0 HA ILE A 615 170.802 1.676 3.074 1.00 0.00 H new ATOM 0 HB ILE A 615 167.939 2.179 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 615 169.059 4.298 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 615 168.080 4.363 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.589 2.329 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.305 0.767 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.324 2.030 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 615 170.251 5.431 3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 615 170.087 3.988 4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 615 171.082 3.921 3.283 1.00 0.00 H new ATOM 313 N LEU A 616 170.291 -0.691 2.476 1.00 0.00 N ATOM 314 CA LEU A 616 170.033 -2.081 2.124 1.00 0.00 C ATOM 315 C LEU A 616 169.481 -2.856 3.315 1.00 0.00 C ATOM 316 O LEU A 616 169.834 -2.588 4.462 1.00 0.00 O ATOM 317 CB LEU A 616 171.313 -2.744 1.609 1.00 0.00 C ATOM 318 CG LEU A 616 171.427 -2.817 0.085 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.763 -3.413 -0.331 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.280 -3.631 -0.491 1.00 0.00 C ATOM 0 H LEU A 616 170.964 -0.562 3.232 1.00 0.00 H new ATOM 0 HA LEU A 616 169.283 -2.095 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.171 -2.196 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.370 -3.755 2.013 1.00 0.00 H new ATOM 0 HG LEU A 616 171.370 -1.803 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.820 -3.454 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.573 -2.792 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.855 -4.420 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.374 -3.675 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.310 -4.641 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.332 -3.162 -0.227 1.00 0.00 H new ATOM 332 N ASN A 617 168.611 -3.818 3.030 1.00 0.00 N ATOM 333 CA ASN A 617 168.003 -4.636 4.072 1.00 0.00 C ATOM 334 C ASN A 617 168.281 -6.114 3.829 1.00 0.00 C ATOM 335 O ASN A 617 168.019 -6.633 2.744 1.00 0.00 O ATOM 336 CB ASN A 617 166.495 -4.391 4.121 1.00 0.00 C ATOM 337 CG ASN A 617 166.135 -3.170 4.944 1.00 0.00 C ATOM 338 OD1 ASN A 617 166.532 -2.050 4.622 1.00 0.00 O ATOM 339 ND2 ASN A 617 165.378 -3.380 6.015 1.00 0.00 N ATOM 0 H ASN A 617 168.310 -4.051 2.084 1.00 0.00 H new ATOM 0 HA ASN A 617 168.442 -4.354 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.117 -4.267 3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 617 166.001 -5.267 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 617 165.104 -2.596 6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 617 165.071 -4.325 6.245 1.00 0.00 H new ATOM 346 N LYS A 618 168.814 -6.789 4.842 1.00 0.00 N ATOM 347 CA LYS A 618 169.129 -8.209 4.734 1.00 0.00 C ATOM 348 C LYS A 618 167.898 -9.067 5.017 1.00 0.00 C ATOM 349 O LYS A 618 167.921 -9.937 5.887 1.00 0.00 O ATOM 350 CB LYS A 618 170.257 -8.581 5.704 1.00 0.00 C ATOM 351 CG LYS A 618 171.261 -7.462 5.940 1.00 0.00 C ATOM 352 CD LYS A 618 172.471 -7.951 6.720 1.00 0.00 C ATOM 353 CE LYS A 618 173.236 -9.023 5.958 1.00 0.00 C ATOM 354 NZ LYS A 618 173.335 -10.291 6.732 1.00 0.00 N ATOM 0 H LYS A 618 169.037 -6.375 5.747 1.00 0.00 H new ATOM 0 HA LYS A 618 169.457 -8.403 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 618 169.820 -8.872 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 618 170.784 -9.453 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.585 -7.055 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 618 170.780 -6.650 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 618 173.133 -7.111 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 618 172.147 -8.349 7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 618 172.740 -9.216 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 618 174.237 -8.660 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 174.272 -10.717 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 173.203 -10.091 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 172.599 -10.952 6.411 1.00 0.00 H new ATOM 516 N LEU A 629 172.703 -12.234 1.855 1.00 0.00 N ATOM 517 CA LEU A 629 172.911 -11.086 2.735 1.00 0.00 C ATOM 518 C LEU A 629 172.041 -9.900 2.303 1.00 0.00 C ATOM 519 O LEU A 629 170.906 -9.767 2.758 1.00 0.00 O ATOM 520 CB LEU A 629 174.394 -10.682 2.787 1.00 0.00 C ATOM 521 CG LEU A 629 175.415 -11.790 2.500 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.217 -12.976 3.424 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.363 -12.223 1.042 1.00 0.00 C ATOM 0 HA LEU A 629 172.610 -11.382 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.554 -9.877 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.602 -10.274 3.776 1.00 0.00 H new ATOM 0 HG LEU A 629 176.406 -11.379 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 629 175.956 -13.743 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.336 -12.655 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.216 -13.383 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.098 -13.009 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.367 -12.600 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.587 -11.370 0.401 1.00 0.00 H new ATOM 535 N LEU A 630 172.562 -9.043 1.420 1.00 0.00 N ATOM 536 CA LEU A 630 171.799 -7.890 0.944 1.00 0.00 C ATOM 537 C LEU A 630 171.760 -7.845 -0.585 1.00 0.00 C ATOM 538 O LEU A 630 170.706 -7.597 -1.170 1.00 0.00 O ATOM 539 CB LEU A 630 172.350 -6.565 1.502 1.00 0.00 C ATOM 540 CG LEU A 630 173.723 -6.627 2.176 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.244 -5.225 2.450 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.660 -7.434 3.463 1.00 0.00 C ATOM 0 H LEU A 630 173.499 -9.126 1.025 1.00 0.00 H new ATOM 0 HA LEU A 630 170.781 -8.011 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 630 172.403 -5.846 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.633 -6.174 2.224 1.00 0.00 H new ATOM 0 HG LEU A 630 174.413 -7.127 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.221 -5.287 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 630 174.335 -4.680 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.550 -4.701 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.648 -7.463 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 630 172.953 -6.968 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.333 -8.450 3.240 1.00 0.00 H new ATOM 554 N GLY A 631 172.899 -8.098 -1.239 1.00 0.00 N ATOM 555 CA GLY A 631 172.913 -8.085 -2.696 1.00 0.00 C ATOM 556 C GLY A 631 174.264 -7.759 -3.328 1.00 0.00 C ATOM 557 O GLY A 631 174.343 -7.588 -4.545 1.00 0.00 O ATOM 0 H GLY A 631 173.793 -8.307 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.587 -9.061 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.181 -7.356 -3.044 1.00 0.00 H new ATOM 561 N LEU A 632 175.327 -7.671 -2.531 1.00 0.00 N ATOM 562 CA LEU A 632 176.649 -7.365 -3.078 1.00 0.00 C ATOM 563 C LEU A 632 177.771 -7.772 -2.122 1.00 0.00 C ATOM 564 O LEU A 632 177.627 -7.697 -0.906 1.00 0.00 O ATOM 565 CB LEU A 632 176.756 -5.870 -3.423 1.00 0.00 C ATOM 566 CG LEU A 632 176.752 -4.889 -2.240 1.00 0.00 C ATOM 567 CD1 LEU A 632 175.537 -5.103 -1.353 1.00 0.00 C ATOM 568 CD2 LEU A 632 178.031 -5.010 -1.427 1.00 0.00 C ATOM 0 H LEU A 632 175.302 -7.805 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 632 176.767 -7.950 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.674 -5.716 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.927 -5.612 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 632 176.700 -3.880 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 632 175.562 -4.395 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 632 174.629 -4.948 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 632 175.547 -6.120 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 632 178.002 -4.305 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 632 178.121 -6.025 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 632 178.888 -4.787 -2.062 1.00 0.00 H new ATOM 580 N LYS A 633 178.904 -8.177 -2.686 1.00 0.00 N ATOM 581 CA LYS A 633 180.061 -8.567 -1.886 1.00 0.00 C ATOM 582 C LYS A 633 181.018 -7.389 -1.764 1.00 0.00 C ATOM 583 O LYS A 633 181.335 -6.738 -2.757 1.00 0.00 O ATOM 584 CB LYS A 633 180.774 -9.761 -2.527 1.00 0.00 C ATOM 585 CG LYS A 633 181.838 -10.385 -1.637 1.00 0.00 C ATOM 586 CD LYS A 633 181.516 -11.835 -1.309 1.00 0.00 C ATOM 587 CE LYS A 633 182.773 -12.688 -1.266 1.00 0.00 C ATOM 588 NZ LYS A 633 183.249 -12.906 0.128 1.00 0.00 N ATOM 0 H LYS A 633 179.046 -8.244 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 633 179.723 -8.860 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 633 180.035 -10.520 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.236 -9.439 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 633 182.806 -10.331 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 633 181.921 -9.813 -0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 633 181.006 -11.887 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 633 180.829 -12.234 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 633 182.574 -13.651 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 633 183.559 -12.206 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 184.108 -13.492 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 183.463 -11.989 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 182.509 -13.389 0.676 1.00 0.00 H new ATOM 602 N VAL A 634 181.463 -7.104 -0.547 1.00 0.00 N ATOM 603 CA VAL A 634 182.368 -5.984 -0.322 1.00 0.00 C ATOM 604 C VAL A 634 183.715 -6.442 0.212 1.00 0.00 C ATOM 605 O VAL A 634 183.827 -7.484 0.850 1.00 0.00 O ATOM 606 CB VAL A 634 181.764 -4.959 0.662 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.858 -4.172 1.379 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.824 -4.019 -0.071 1.00 0.00 C ATOM 0 H VAL A 634 181.215 -7.627 0.293 1.00 0.00 H new ATOM 0 HA VAL A 634 182.514 -5.511 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 634 181.197 -5.505 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.402 -3.458 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.493 -4.859 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.461 -3.636 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.405 -3.301 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.374 -3.487 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.018 -4.593 -0.527 1.00 0.00 H new ATOM 618 N VAL A 635 184.730 -5.633 -0.051 1.00 0.00 N ATOM 619 CA VAL A 635 186.075 -5.921 0.404 1.00 0.00 C ATOM 620 C VAL A 635 186.545 -4.852 1.389 1.00 0.00 C ATOM 621 O VAL A 635 185.979 -3.763 1.449 1.00 0.00 O ATOM 622 CB VAL A 635 187.038 -6.032 -0.798 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.354 -5.310 -0.550 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.270 -7.493 -1.125 1.00 0.00 C ATOM 0 H VAL A 635 184.643 -4.766 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 635 186.072 -6.879 0.923 1.00 0.00 H new ATOM 0 HB VAL A 635 186.573 -5.540 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 635 188.998 -5.417 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.160 -4.253 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.848 -5.743 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.950 -7.572 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.707 -7.994 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.320 -7.965 -1.376 1.00 0.00 H new ATOM 634 N GLY A 636 187.578 -5.173 2.161 1.00 0.00 N ATOM 635 CA GLY A 636 188.096 -4.227 3.132 1.00 0.00 C ATOM 636 C GLY A 636 189.610 -4.211 3.178 1.00 0.00 C ATOM 637 O GLY A 636 190.258 -5.212 2.873 1.00 0.00 O ATOM 0 H GLY A 636 188.065 -6.069 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.733 -3.228 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.709 -4.477 4.120 1.00 0.00 H new ATOM 641 N GLY A 637 190.175 -3.071 3.560 1.00 0.00 N ATOM 642 CA GLY A 637 191.619 -2.949 3.640 1.00 0.00 C ATOM 643 C GLY A 637 192.257 -2.709 2.286 1.00 0.00 C ATOM 644 O GLY A 637 193.359 -3.188 2.018 1.00 0.00 O ATOM 0 H GLY A 637 189.659 -2.229 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.874 -2.127 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 637 192.033 -3.857 4.078 1.00 0.00 H new ATOM 648 N LYS A 638 191.563 -1.966 1.430 1.00 0.00 N ATOM 649 CA LYS A 638 192.069 -1.663 0.097 1.00 0.00 C ATOM 650 C LYS A 638 192.850 -0.354 0.098 1.00 0.00 C ATOM 651 O LYS A 638 192.301 0.708 -0.197 1.00 0.00 O ATOM 652 CB LYS A 638 190.914 -1.582 -0.903 1.00 0.00 C ATOM 653 CG LYS A 638 190.497 -2.934 -1.461 1.00 0.00 C ATOM 654 CD LYS A 638 191.041 -3.151 -2.863 1.00 0.00 C ATOM 655 CE LYS A 638 190.962 -4.614 -3.271 1.00 0.00 C ATOM 656 NZ LYS A 638 191.344 -4.814 -4.696 1.00 0.00 N ATOM 0 H LYS A 638 190.649 -1.563 1.636 1.00 0.00 H new ATOM 0 HA LYS A 638 192.742 -2.467 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.056 -1.118 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.204 -0.931 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.856 -3.726 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.409 -3.002 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 638 190.477 -2.544 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 638 192.077 -2.815 -2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 638 191.619 -5.205 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 638 189.948 -4.981 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 191.277 -5.824 -4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 190.702 -4.270 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 192.320 -4.487 -4.843 1.00 0.00 H new ATOM 763 N LEU A 645 192.725 3.250 3.912 1.00 0.00 N ATOM 764 CA LEU A 645 192.017 2.024 3.566 1.00 0.00 C ATOM 765 C LEU A 645 190.520 2.277 3.426 1.00 0.00 C ATOM 766 O LEU A 645 189.979 3.211 4.018 1.00 0.00 O ATOM 767 CB LEU A 645 192.263 0.950 4.627 1.00 0.00 C ATOM 768 CG LEU A 645 193.732 0.605 4.875 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.852 -0.439 5.974 1.00 0.00 C ATOM 770 CD2 LEU A 645 194.391 0.113 3.593 1.00 0.00 C ATOM 0 HA LEU A 645 192.400 1.675 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.821 1.282 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.738 0.042 4.331 1.00 0.00 H new ATOM 0 HG LEU A 645 194.249 1.508 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.903 -0.674 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.418 -0.049 6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 645 193.320 -1.343 5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 645 195.436 -0.127 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.874 -0.778 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 645 194.335 0.892 2.833 1.00 0.00 H new ATOM 782 N GLY A 646 189.857 1.438 2.638 1.00 0.00 N ATOM 783 CA GLY A 646 188.428 1.585 2.433 1.00 0.00 C ATOM 784 C GLY A 646 187.758 0.279 2.054 1.00 0.00 C ATOM 785 O GLY A 646 188.325 -0.797 2.251 1.00 0.00 O ATOM 0 H GLY A 646 190.284 0.658 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.972 1.973 3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 646 188.251 2.321 1.649 1.00 0.00 H new ATOM 789 N ALA A 647 186.549 0.373 1.510 1.00 0.00 N ATOM 790 CA ALA A 647 185.801 -0.811 1.104 1.00 0.00 C ATOM 791 C ALA A 647 185.387 -0.728 -0.361 1.00 0.00 C ATOM 792 O ALA A 647 185.022 0.339 -0.852 1.00 0.00 O ATOM 793 CB ALA A 647 184.576 -0.995 1.988 1.00 0.00 C ATOM 0 H ALA A 647 186.067 1.256 1.340 1.00 0.00 H new ATOM 0 HA ALA A 647 186.454 -1.675 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.029 -1.883 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.890 -1.113 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.930 -0.121 1.901 1.00 0.00 H new ATOM 799 N PHE A 648 185.444 -1.862 -1.051 1.00 0.00 N ATOM 800 CA PHE A 648 185.073 -1.920 -2.460 1.00 0.00 C ATOM 801 C PHE A 648 184.179 -3.125 -2.733 1.00 0.00 C ATOM 802 O PHE A 648 184.383 -4.200 -2.171 1.00 0.00 O ATOM 803 CB PHE A 648 186.325 -1.990 -3.337 1.00 0.00 C ATOM 804 CG PHE A 648 187.097 -0.703 -3.384 1.00 0.00 C ATOM 805 CD1 PHE A 648 186.744 0.300 -4.273 1.00 0.00 C ATOM 806 CD2 PHE A 648 188.177 -0.496 -2.541 1.00 0.00 C ATOM 807 CE1 PHE A 648 187.452 1.485 -4.320 1.00 0.00 C ATOM 808 CE2 PHE A 648 188.890 0.688 -2.583 1.00 0.00 C ATOM 809 CZ PHE A 648 188.527 1.679 -3.474 1.00 0.00 C ATOM 0 H PHE A 648 185.744 -2.754 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 648 184.519 -1.013 -2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 648 186.976 -2.781 -2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.034 -2.267 -4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 648 185.905 0.153 -4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 648 188.465 -1.268 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 648 187.166 2.259 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 648 189.729 0.838 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 648 189.083 2.604 -3.509 1.00 0.00 H new ATOM 819 N ILE A 649 183.187 -2.941 -3.600 1.00 0.00 N ATOM 820 CA ILE A 649 182.267 -4.018 -3.942 1.00 0.00 C ATOM 821 C ILE A 649 182.900 -4.978 -4.948 1.00 0.00 C ATOM 822 O ILE A 649 183.241 -4.588 -6.064 1.00 0.00 O ATOM 823 CB ILE A 649 180.944 -3.470 -4.524 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.195 -2.646 -3.474 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.065 -4.605 -5.031 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.324 -1.560 -4.070 1.00 0.00 C ATOM 0 H ILE A 649 183.001 -2.058 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 649 182.048 -4.555 -3.019 1.00 0.00 H new ATOM 0 HB ILE A 649 181.187 -2.822 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.573 -3.312 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 649 180.918 -2.191 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.140 -4.195 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.592 -5.152 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.833 -5.281 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.823 -1.015 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.943 -0.871 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.578 -2.010 -4.725 1.00 0.00 H new ATOM 838 N THR A 650 183.056 -6.232 -4.539 1.00 0.00 N ATOM 839 CA THR A 650 183.651 -7.249 -5.398 1.00 0.00 C ATOM 840 C THR A 650 182.666 -7.721 -6.464 1.00 0.00 C ATOM 841 O THR A 650 183.065 -8.062 -7.578 1.00 0.00 O ATOM 842 CB THR A 650 184.125 -8.440 -4.563 1.00 0.00 C ATOM 843 OG1 THR A 650 183.342 -8.575 -3.388 1.00 0.00 O ATOM 844 CG2 THR A 650 185.576 -8.337 -4.143 1.00 0.00 C ATOM 0 H THR A 650 182.778 -6.569 -3.617 1.00 0.00 H new ATOM 0 HA THR A 650 184.507 -6.799 -5.901 1.00 0.00 H new ATOM 0 HB THR A 650 184.013 -9.309 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.932 -8.658 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.847 -9.213 -3.554 1.00 0.00 H new ATOM 0 HG22 THR A 650 186.208 -8.285 -5.029 1.00 0.00 H new ATOM 0 HG23 THR A 650 185.718 -7.438 -3.543 1.00 0.00 H new ATOM 852 N LYS A 651 181.381 -7.746 -6.121 1.00 0.00 N ATOM 853 CA LYS A 651 180.358 -8.187 -7.064 1.00 0.00 C ATOM 854 C LYS A 651 178.954 -7.831 -6.582 1.00 0.00 C ATOM 855 O LYS A 651 178.731 -7.593 -5.395 1.00 0.00 O ATOM 856 CB LYS A 651 180.463 -9.697 -7.290 1.00 0.00 C ATOM 857 CG LYS A 651 180.128 -10.526 -6.060 1.00 0.00 C ATOM 858 CD LYS A 651 179.900 -11.986 -6.419 1.00 0.00 C ATOM 859 CE LYS A 651 178.603 -12.174 -7.190 1.00 0.00 C ATOM 860 NZ LYS A 651 177.432 -11.628 -6.450 1.00 0.00 N ATOM 0 H LYS A 651 181.026 -7.469 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 651 180.532 -7.665 -8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.793 -9.981 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.476 -9.937 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.940 -10.450 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.235 -10.124 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 651 180.736 -12.350 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 651 179.874 -12.586 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 651 178.682 -11.681 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 651 178.447 -13.235 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 176.608 -12.244 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 177.652 -11.587 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 177.217 -10.671 -6.797 1.00 0.00 H new ATOM 874 N VAL A 652 178.013 -7.805 -7.521 1.00 0.00 N ATOM 875 CA VAL A 652 176.620 -7.487 -7.216 1.00 0.00 C ATOM 876 C VAL A 652 175.680 -8.479 -7.892 1.00 0.00 C ATOM 877 O VAL A 652 175.743 -8.675 -9.105 1.00 0.00 O ATOM 878 CB VAL A 652 176.232 -6.057 -7.670 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.020 -5.147 -6.473 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.278 -5.473 -8.607 1.00 0.00 C ATOM 0 H VAL A 652 178.191 -8.002 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 652 176.521 -7.549 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 652 175.292 -6.128 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.749 -4.149 -6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.219 -5.546 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 652 176.940 -5.092 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.977 -4.469 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.239 -5.426 -8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.368 -6.105 -9.491 1.00 0.00 H new ATOM 890 N LYS A 653 174.802 -9.094 -7.107 1.00 0.00 N ATOM 891 CA LYS A 653 173.847 -10.052 -7.649 1.00 0.00 C ATOM 892 C LYS A 653 172.694 -9.324 -8.335 1.00 0.00 C ATOM 893 O LYS A 653 171.835 -8.740 -7.675 1.00 0.00 O ATOM 894 CB LYS A 653 173.313 -10.961 -6.538 1.00 0.00 C ATOM 895 CG LYS A 653 173.483 -12.442 -6.832 1.00 0.00 C ATOM 896 CD LYS A 653 172.929 -13.301 -5.706 1.00 0.00 C ATOM 897 CE LYS A 653 173.905 -13.395 -4.545 1.00 0.00 C ATOM 898 NZ LYS A 653 174.922 -14.461 -4.759 1.00 0.00 N ATOM 0 H LYS A 653 174.732 -8.947 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 653 174.359 -10.669 -8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 653 173.826 -10.722 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.255 -10.749 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 653 172.975 -12.690 -7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 653 174.540 -12.666 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 653 171.986 -12.881 -5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 653 172.712 -14.301 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 653 174.406 -12.436 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 653 173.356 -13.596 -3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 175.568 -14.493 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 174.446 -15.380 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 175.463 -14.256 -5.623 1.00 0.00 H new ATOM 912 N LYS A 654 172.687 -9.355 -9.665 1.00 0.00 N ATOM 913 CA LYS A 654 171.646 -8.692 -10.445 1.00 0.00 C ATOM 914 C LYS A 654 170.257 -9.161 -10.022 1.00 0.00 C ATOM 915 O LYS A 654 169.860 -10.292 -10.303 1.00 0.00 O ATOM 916 CB LYS A 654 171.853 -8.953 -11.937 1.00 0.00 C ATOM 917 CG LYS A 654 172.911 -8.063 -12.570 1.00 0.00 C ATOM 918 CD LYS A 654 172.455 -6.612 -12.638 1.00 0.00 C ATOM 919 CE LYS A 654 172.470 -6.088 -14.066 1.00 0.00 C ATOM 920 NZ LYS A 654 172.986 -4.693 -14.140 1.00 0.00 N ATOM 0 H LYS A 654 173.392 -9.833 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 654 171.717 -7.621 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 654 172.135 -9.996 -12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 654 170.907 -8.805 -12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 654 173.834 -8.128 -11.994 1.00 0.00 H new ATOM 0 HG3 LYS A 654 173.136 -8.422 -13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 654 171.448 -6.527 -12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 654 173.105 -5.996 -12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 654 173.089 -6.737 -14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 654 171.461 -6.124 -14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 172.980 -4.373 -15.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 172.380 -4.068 -13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 173.958 -4.662 -13.772 1.00 0.00 H new ATOM 934 N GLY A 655 169.523 -8.283 -9.344 1.00 0.00 N ATOM 935 CA GLY A 655 168.188 -8.623 -8.891 1.00 0.00 C ATOM 936 C GLY A 655 168.045 -8.503 -7.387 1.00 0.00 C ATOM 937 O GLY A 655 166.943 -8.302 -6.875 1.00 0.00 O ATOM 0 H GLY A 655 169.831 -7.341 -9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.464 -7.968 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 655 167.951 -9.642 -9.196 1.00 0.00 H new ATOM 941 N SER A 656 169.163 -8.622 -6.677 1.00 0.00 N ATOM 942 CA SER A 656 169.159 -8.522 -5.224 1.00 0.00 C ATOM 943 C SER A 656 168.796 -7.110 -4.782 1.00 0.00 C ATOM 944 O SER A 656 168.700 -6.197 -5.602 1.00 0.00 O ATOM 945 CB SER A 656 170.528 -8.909 -4.661 1.00 0.00 C ATOM 946 OG SER A 656 170.762 -10.301 -4.795 1.00 0.00 O ATOM 0 H SER A 656 170.083 -8.788 -7.086 1.00 0.00 H new ATOM 0 HA SER A 656 168.408 -9.211 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 656 171.308 -8.354 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.585 -8.627 -3.610 1.00 0.00 H new ATOM 0 HG SER A 656 171.566 -10.548 -4.291 1.00 0.00 H new ATOM 952 N LEU A 657 168.593 -6.938 -3.481 1.00 0.00 N ATOM 953 CA LEU A 657 168.238 -5.637 -2.927 1.00 0.00 C ATOM 954 C LEU A 657 169.263 -4.576 -3.310 1.00 0.00 C ATOM 955 O LEU A 657 168.916 -3.520 -3.836 1.00 0.00 O ATOM 956 CB LEU A 657 168.126 -5.725 -1.405 1.00 0.00 C ATOM 957 CG LEU A 657 167.021 -6.651 -0.891 1.00 0.00 C ATOM 958 CD1 LEU A 657 167.550 -7.560 0.210 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.836 -5.837 -0.393 1.00 0.00 C ATOM 0 H LEU A 657 168.668 -7.684 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 657 167.274 -5.347 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 657 169.081 -6.066 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.954 -4.724 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 657 166.685 -7.278 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 657 166.749 -8.210 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 657 168.366 -8.168 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 657 167.915 -6.953 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.059 -6.510 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.158 -5.185 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.441 -5.233 -1.209 1.00 0.00 H new ATOM 971 N ALA A 658 170.527 -4.868 -3.037 1.00 0.00 N ATOM 972 CA ALA A 658 171.617 -3.945 -3.342 1.00 0.00 C ATOM 973 C ALA A 658 171.538 -3.436 -4.778 1.00 0.00 C ATOM 974 O ALA A 658 171.990 -2.334 -5.081 1.00 0.00 O ATOM 975 CB ALA A 658 172.957 -4.620 -3.102 1.00 0.00 C ATOM 0 H ALA A 658 170.826 -5.741 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 658 171.520 -3.086 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.762 -3.923 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 658 173.029 -4.925 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 658 173.042 -5.497 -3.743 1.00 0.00 H new ATOM 981 N ASP A 659 170.976 -4.250 -5.659 1.00 0.00 N ATOM 982 CA ASP A 659 170.855 -3.883 -7.066 1.00 0.00 C ATOM 983 C ASP A 659 169.607 -3.046 -7.324 1.00 0.00 C ATOM 984 O ASP A 659 169.668 -2.007 -7.981 1.00 0.00 O ATOM 985 CB ASP A 659 170.828 -5.139 -7.939 1.00 0.00 C ATOM 986 CG ASP A 659 171.378 -4.888 -9.329 1.00 0.00 C ATOM 987 OD1 ASP A 659 172.490 -4.329 -9.436 1.00 0.00 O ATOM 988 OD2 ASP A 659 170.697 -5.251 -10.311 1.00 0.00 O ATOM 0 H ASP A 659 170.596 -5.168 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 659 171.724 -3.279 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.409 -5.925 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.803 -5.502 -8.017 1.00 0.00 H new ATOM 993 N VAL A 660 168.474 -3.514 -6.819 1.00 0.00 N ATOM 994 CA VAL A 660 167.204 -2.816 -7.012 1.00 0.00 C ATOM 995 C VAL A 660 167.097 -1.557 -6.151 1.00 0.00 C ATOM 996 O VAL A 660 166.698 -0.500 -6.641 1.00 0.00 O ATOM 997 CB VAL A 660 165.989 -3.727 -6.724 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.588 -4.489 -7.977 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.276 -4.689 -5.580 1.00 0.00 C ATOM 0 H VAL A 660 168.405 -4.373 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 660 167.189 -2.526 -8.063 1.00 0.00 H new ATOM 0 HB VAL A 660 165.157 -3.091 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.731 -5.126 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.323 -3.782 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.422 -5.106 -8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.402 -5.315 -5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 660 167.127 -5.319 -5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.505 -4.123 -4.677 1.00 0.00 H new ATOM 1009 N VAL A 661 167.439 -1.668 -4.871 1.00 0.00 N ATOM 1010 CA VAL A 661 167.359 -0.524 -3.966 1.00 0.00 C ATOM 1011 C VAL A 661 168.696 0.205 -3.858 1.00 0.00 C ATOM 1012 O VAL A 661 168.734 1.413 -3.624 1.00 0.00 O ATOM 1013 CB VAL A 661 166.887 -0.944 -2.559 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.868 -1.916 -1.922 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.688 0.278 -1.674 1.00 0.00 C ATOM 0 H VAL A 661 167.772 -2.530 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 661 166.623 0.157 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 661 165.929 -1.453 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.511 -2.196 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 661 167.951 -2.808 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.846 -1.442 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.355 -0.039 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.630 0.819 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.936 0.930 -2.118 1.00 0.00 H new ATOM 1025 N GLY A 662 169.791 -0.528 -4.033 1.00 0.00 N ATOM 1026 CA GLY A 662 171.107 0.082 -3.954 1.00 0.00 C ATOM 1027 C GLY A 662 171.534 0.691 -5.273 1.00 0.00 C ATOM 1028 O GLY A 662 171.831 1.883 -5.349 1.00 0.00 O ATOM 0 H GLY A 662 169.792 -1.529 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 662 171.103 0.853 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.836 -0.669 -3.649 1.00 0.00 H new ATOM 1032 N HIS A 663 171.551 -0.130 -6.318 1.00 0.00 N ATOM 1033 CA HIS A 663 171.926 0.325 -7.653 1.00 0.00 C ATOM 1034 C HIS A 663 173.413 0.668 -7.745 1.00 0.00 C ATOM 1035 O HIS A 663 173.778 1.793 -8.088 1.00 0.00 O ATOM 1036 CB HIS A 663 171.082 1.538 -8.055 1.00 0.00 C ATOM 1037 CG HIS A 663 170.627 1.503 -9.481 1.00 0.00 C ATOM 1038 ND1 HIS A 663 170.623 2.614 -10.298 1.00 0.00 N ATOM 1039 CD2 HIS A 663 170.157 0.482 -10.237 1.00 0.00 C ATOM 1040 CE1 HIS A 663 170.171 2.278 -11.493 1.00 0.00 C ATOM 1041 NE2 HIS A 663 169.883 0.990 -11.482 1.00 0.00 N ATOM 0 H HIS A 663 171.308 -1.119 -6.266 1.00 0.00 H new ATOM 0 HA HIS A 663 171.734 -0.496 -8.343 1.00 0.00 H new ATOM 0 HB2 HIS A 663 170.209 1.595 -7.405 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.663 2.446 -7.889 1.00 0.00 H new ATOM 0 HD2 HIS A 663 170.023 -0.541 -9.919 1.00 0.00 H new ATOM 0 HE1 HIS A 663 170.057 2.944 -12.336 1.00 0.00 H new ATOM 0 HE2 HIS A 663 169.516 0.458 -12.271 1.00 0.00 H new ATOM 1050 N LEU A 664 174.271 -0.312 -7.470 1.00 0.00 N ATOM 1051 CA LEU A 664 175.712 -0.105 -7.561 1.00 0.00 C ATOM 1052 C LEU A 664 176.357 -1.267 -8.304 1.00 0.00 C ATOM 1053 O LEU A 664 175.685 -2.236 -8.657 1.00 0.00 O ATOM 1054 CB LEU A 664 176.352 0.076 -6.176 1.00 0.00 C ATOM 1055 CG LEU A 664 175.697 -0.689 -5.025 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.339 -0.094 -4.683 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.574 -2.163 -5.369 1.00 0.00 C ATOM 0 H LEU A 664 173.995 -1.251 -7.184 1.00 0.00 H new ATOM 0 HA LEU A 664 175.885 0.816 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.397 -0.228 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.343 1.138 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 664 176.333 -0.596 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.893 -0.655 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.462 0.948 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.688 -0.148 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 664 175.106 -2.692 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.962 -2.278 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.565 -2.578 -5.551 1.00 0.00 H new ATOM 1069 N ARG A 665 177.655 -1.165 -8.553 1.00 0.00 N ATOM 1070 CA ARG A 665 178.371 -2.212 -9.271 1.00 0.00 C ATOM 1071 C ARG A 665 179.725 -2.491 -8.635 1.00 0.00 C ATOM 1072 O ARG A 665 180.275 -1.652 -7.922 1.00 0.00 O ATOM 1073 CB ARG A 665 178.562 -1.814 -10.736 1.00 0.00 C ATOM 1074 CG ARG A 665 177.262 -1.721 -11.519 1.00 0.00 C ATOM 1075 CD ARG A 665 177.491 -1.139 -12.905 1.00 0.00 C ATOM 1076 NE ARG A 665 177.473 0.322 -12.896 1.00 0.00 N ATOM 1077 CZ ARG A 665 176.390 1.058 -13.144 1.00 0.00 C ATOM 1078 NH1 ARG A 665 175.226 0.478 -13.412 1.00 0.00 N ATOM 1079 NH2 ARG A 665 176.471 2.381 -13.120 1.00 0.00 N ATOM 0 H ARG A 665 178.232 -0.373 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 665 177.772 -3.121 -9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 665 179.071 -0.851 -10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 665 179.215 -2.541 -11.219 1.00 0.00 H new ATOM 0 HG2 ARG A 665 176.817 -2.712 -11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.551 -1.100 -10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 665 178.449 -1.487 -13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 665 176.722 -1.507 -13.584 1.00 0.00 H new ATOM 0 HE ARG A 665 178.344 0.809 -12.687 1.00 0.00 H new ATOM 0 HH11 ARG A 665 175.155 -0.539 -13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 665 174.403 1.050 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 665 177.361 2.834 -12.912 1.00 0.00 H new ATOM 0 HH22 ARG A 665 175.643 2.946 -13.310 1.00 0.00 H new ATOM 1093 N ALA A 666 180.261 -3.678 -8.903 1.00 0.00 N ATOM 1094 CA ALA A 666 181.555 -4.069 -8.364 1.00 0.00 C ATOM 1095 C ALA A 666 182.622 -3.048 -8.729 1.00 0.00 C ATOM 1096 O ALA A 666 182.841 -2.756 -9.905 1.00 0.00 O ATOM 1097 CB ALA A 666 181.944 -5.447 -8.871 1.00 0.00 C ATOM 0 H ALA A 666 179.818 -4.384 -9.490 1.00 0.00 H new ATOM 0 HA ALA A 666 181.476 -4.107 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 666 182.914 -5.726 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.195 -6.174 -8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 666 182.003 -5.431 -9.959 1.00 0.00 H new ATOM 1103 N GLY A 667 183.275 -2.497 -7.715 1.00 0.00 N ATOM 1104 CA GLY A 667 184.301 -1.501 -7.947 1.00 0.00 C ATOM 1105 C GLY A 667 184.031 -0.223 -7.181 1.00 0.00 C ATOM 1106 O GLY A 667 184.947 0.553 -6.909 1.00 0.00 O ATOM 0 H GLY A 667 183.112 -2.723 -6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.270 -1.903 -7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.358 -1.280 -9.013 1.00 0.00 H new ATOM 1110 N ASP A 668 182.767 -0.009 -6.824 1.00 0.00 N ATOM 1111 CA ASP A 668 182.375 1.178 -6.075 1.00 0.00 C ATOM 1112 C ASP A 668 183.018 1.169 -4.693 1.00 0.00 C ATOM 1113 O ASP A 668 183.180 0.114 -4.082 1.00 0.00 O ATOM 1114 CB ASP A 668 180.852 1.247 -5.944 1.00 0.00 C ATOM 1115 CG ASP A 668 180.211 2.046 -7.061 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.923 2.847 -7.702 1.00 0.00 O ATOM 1117 OD2 ASP A 668 178.996 1.871 -7.295 1.00 0.00 O ATOM 0 H ASP A 668 181.998 -0.643 -7.042 1.00 0.00 H new ATOM 0 HA ASP A 668 182.721 2.058 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.444 0.236 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.593 1.696 -4.985 1.00 0.00 H new ATOM 1122 N GLU A 669 183.390 2.348 -4.209 1.00 0.00 N ATOM 1123 CA GLU A 669 184.023 2.464 -2.901 1.00 0.00 C ATOM 1124 C GLU A 669 183.031 2.943 -1.847 1.00 0.00 C ATOM 1125 O GLU A 669 182.548 4.073 -1.905 1.00 0.00 O ATOM 1126 CB GLU A 669 185.211 3.425 -2.973 1.00 0.00 C ATOM 1127 CG GLU A 669 186.194 3.262 -1.825 1.00 0.00 C ATOM 1128 CD GLU A 669 187.262 4.339 -1.816 1.00 0.00 C ATOM 1129 OE1 GLU A 669 187.578 4.871 -2.901 1.00 0.00 O ATOM 1130 OE2 GLU A 669 187.782 4.651 -0.724 1.00 0.00 O ATOM 0 H GLU A 669 183.265 3.233 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 669 184.377 1.475 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.736 3.270 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.839 4.450 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.651 3.286 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.670 2.284 -1.895 1.00 0.00 H new ATOM 1137 N VAL A 670 182.738 2.079 -0.879 1.00 0.00 N ATOM 1138 CA VAL A 670 181.812 2.424 0.193 1.00 0.00 C ATOM 1139 C VAL A 670 182.571 2.957 1.404 1.00 0.00 C ATOM 1140 O VAL A 670 183.158 2.191 2.168 1.00 0.00 O ATOM 1141 CB VAL A 670 180.953 1.212 0.621 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.175 1.515 1.898 1.00 0.00 C ATOM 1143 CG2 VAL A 670 180.004 0.810 -0.496 1.00 0.00 C ATOM 0 H VAL A 670 183.127 1.138 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 670 181.148 3.197 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 670 181.625 0.378 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.579 0.646 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.873 1.749 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.516 2.367 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.408 -0.045 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.344 1.645 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.579 0.541 -1.382 1.00 0.00 H new ATOM 1153 N LEU A 671 182.553 4.274 1.573 1.00 0.00 N ATOM 1154 CA LEU A 671 183.240 4.906 2.694 1.00 0.00 C ATOM 1155 C LEU A 671 182.383 4.875 3.959 1.00 0.00 C ATOM 1156 O LEU A 671 182.794 5.375 5.006 1.00 0.00 O ATOM 1157 CB LEU A 671 183.605 6.354 2.349 1.00 0.00 C ATOM 1158 CG LEU A 671 184.313 6.559 1.004 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.272 5.414 0.710 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.294 6.704 -0.116 1.00 0.00 C ATOM 0 H LEU A 671 182.072 4.923 0.951 1.00 0.00 H new ATOM 0 HA LEU A 671 184.152 4.341 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.692 6.950 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.245 6.746 3.139 1.00 0.00 H new ATOM 0 HG LEU A 671 184.896 7.478 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.760 5.585 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 671 186.025 5.360 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.718 4.476 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.813 6.849 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.683 5.803 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.655 7.564 0.083 1.00 0.00 H new ATOM 1172 N GLU A 672 181.188 4.297 3.859 1.00 0.00 N ATOM 1173 CA GLU A 672 180.284 4.220 5.001 1.00 0.00 C ATOM 1174 C GLU A 672 179.496 2.914 5.003 1.00 0.00 C ATOM 1175 O GLU A 672 178.849 2.568 4.017 1.00 0.00 O ATOM 1176 CB GLU A 672 179.315 5.399 4.975 1.00 0.00 C ATOM 1177 CG GLU A 672 179.921 6.697 5.482 1.00 0.00 C ATOM 1178 CD GLU A 672 179.547 7.890 4.624 1.00 0.00 C ATOM 1179 OE1 GLU A 672 180.210 8.107 3.588 1.00 0.00 O ATOM 1180 OE2 GLU A 672 178.592 8.608 4.988 1.00 0.00 O ATOM 0 H GLU A 672 180.826 3.877 3.003 1.00 0.00 H new ATOM 0 HA GLU A 672 180.888 4.255 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.963 5.547 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.442 5.154 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 672 179.590 6.873 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 672 181.006 6.600 5.510 1.00 0.00 H new ATOM 1187 N TRP A 673 179.545 2.202 6.124 1.00 0.00 N ATOM 1188 CA TRP A 673 178.825 0.942 6.268 1.00 0.00 C ATOM 1189 C TRP A 673 178.032 0.930 7.570 1.00 0.00 C ATOM 1190 O TRP A 673 178.609 0.970 8.657 1.00 0.00 O ATOM 1191 CB TRP A 673 179.800 -0.234 6.245 1.00 0.00 C ATOM 1192 CG TRP A 673 179.126 -1.559 6.062 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.484 -2.292 7.018 1.00 0.00 C ATOM 1194 CD2 TRP A 673 179.030 -2.308 4.848 1.00 0.00 C ATOM 1195 NE1 TRP A 673 177.998 -3.456 6.471 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.321 -3.488 5.140 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.475 -2.096 3.541 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 178.049 -4.452 4.171 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.204 -3.053 2.583 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.496 -4.219 2.903 1.00 0.00 C ATOM 0 H TRP A 673 180.078 2.478 6.949 1.00 0.00 H new ATOM 0 HA TRP A 673 178.133 0.844 5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.519 -0.085 5.439 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.365 -0.247 7.177 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.374 -2.000 8.052 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.481 -4.178 6.974 1.00 0.00 H new ATOM 0 HE3 TRP A 673 180.021 -1.200 3.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.504 -5.352 4.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.544 -2.900 1.569 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.300 -4.948 2.131 1.00 0.00 H new ATOM 1211 N ASN A 674 176.710 0.879 7.459 1.00 0.00 N ATOM 1212 CA ASN A 674 175.848 0.866 8.636 1.00 0.00 C ATOM 1213 C ASN A 674 176.002 2.157 9.435 1.00 0.00 C ATOM 1214 O ASN A 674 175.993 2.144 10.666 1.00 0.00 O ATOM 1215 CB ASN A 674 176.171 -0.339 9.522 1.00 0.00 C ATOM 1216 CG ASN A 674 175.042 -0.674 10.477 1.00 0.00 C ATOM 1217 OD1 ASN A 674 173.979 -1.269 9.950 1.00 0.00 O flip ATOM 1218 ND2 ASN A 674 175.125 -0.401 11.674 1.00 0.00 N flip ATOM 0 H ASN A 674 176.212 0.846 6.569 1.00 0.00 H new ATOM 0 HA ASN A 674 174.815 0.789 8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.379 -1.204 8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.077 -0.135 10.092 1.00 0.00 H new ATOM 0 HD21 ASN A 674 175.962 0.057 12.036 1.00 0.00 H new ATOM 0 HD22 ASN A 674 174.357 -0.633 12.304 1.00 0.00 H new ATOM 1225 N GLY A 675 176.136 3.271 8.723 1.00 0.00 N ATOM 1226 CA GLY A 675 176.281 4.561 9.374 1.00 0.00 C ATOM 1227 C GLY A 675 177.598 4.714 10.117 1.00 0.00 C ATOM 1228 O GLY A 675 177.750 5.627 10.929 1.00 0.00 O ATOM 0 H GLY A 675 176.147 3.304 7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 675 176.200 5.349 8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.458 4.701 10.075 1.00 0.00 H new ATOM 1232 N LYS A 676 178.552 3.829 9.844 1.00 0.00 N ATOM 1233 CA LYS A 676 179.854 3.889 10.500 1.00 0.00 C ATOM 1234 C LYS A 676 180.925 4.358 9.530 1.00 0.00 C ATOM 1235 O LYS A 676 180.887 4.023 8.346 1.00 0.00 O ATOM 1236 CB LYS A 676 180.230 2.507 11.066 1.00 0.00 C ATOM 1237 CG LYS A 676 181.608 1.982 10.639 1.00 0.00 C ATOM 1238 CD LYS A 676 182.561 1.893 11.822 1.00 0.00 C ATOM 1239 CE LYS A 676 182.019 0.976 12.906 1.00 0.00 C ATOM 1240 NZ LYS A 676 183.107 0.400 13.743 1.00 0.00 N ATOM 0 H LYS A 676 178.449 3.065 9.176 1.00 0.00 H new ATOM 0 HA LYS A 676 179.789 4.605 11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.198 2.556 12.154 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.472 1.787 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.499 0.998 10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 676 182.030 2.640 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.530 1.525 11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 676 182.725 2.889 12.234 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.329 1.533 13.540 1.00 0.00 H new ATOM 0 HE3 LYS A 676 181.449 0.169 12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 182.811 -0.528 14.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 183.966 0.288 13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 183.305 1.037 14.541 1.00 0.00 H new ATOM 1254 N PRO A 677 181.920 5.113 10.017 1.00 0.00 N ATOM 1255 CA PRO A 677 183.004 5.572 9.170 1.00 0.00 C ATOM 1256 C PRO A 677 184.058 4.484 8.997 1.00 0.00 C ATOM 1257 O PRO A 677 184.668 4.029 9.964 1.00 0.00 O ATOM 1258 CB PRO A 677 183.568 6.752 9.957 1.00 0.00 C ATOM 1259 CG PRO A 677 183.328 6.399 11.387 1.00 0.00 C ATOM 1260 CD PRO A 677 182.081 5.549 11.417 1.00 0.00 C ATOM 0 HA PRO A 677 182.684 5.835 8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.630 6.891 9.756 1.00 0.00 H new ATOM 0 HB3 PRO A 677 183.068 7.683 9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 677 184.178 5.855 11.800 1.00 0.00 H new ATOM 0 HG3 PRO A 677 183.200 7.297 11.992 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.192 4.699 12.091 1.00 0.00 H new ATOM 0 HD3 PRO A 677 181.217 6.118 11.761 1.00 0.00 H new ATOM 1268 N LEU A 678 184.255 4.073 7.756 1.00 0.00 N ATOM 1269 CA LEU A 678 185.222 3.034 7.425 1.00 0.00 C ATOM 1270 C LEU A 678 186.613 3.605 7.122 1.00 0.00 C ATOM 1271 O LEU A 678 187.619 2.981 7.459 1.00 0.00 O ATOM 1272 CB LEU A 678 184.725 2.214 6.233 1.00 0.00 C ATOM 1273 CG LEU A 678 183.294 1.686 6.366 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.788 1.162 5.029 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.224 0.602 7.434 1.00 0.00 C ATOM 0 H LEU A 678 183.753 4.447 6.951 1.00 0.00 H new ATOM 0 HA LEU A 678 185.317 2.392 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.788 2.830 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.397 1.368 6.087 1.00 0.00 H new ATOM 0 HG LEU A 678 182.649 2.510 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.770 0.791 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.799 1.967 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.432 0.351 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.200 0.237 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 678 183.882 -0.223 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.540 1.014 8.392 1.00 0.00 H new ATOM 1287 N PRO A 679 186.707 4.789 6.476 1.00 0.00 N ATOM 1288 CA PRO A 679 187.999 5.399 6.143 1.00 0.00 C ATOM 1289 C PRO A 679 189.018 5.270 7.271 1.00 0.00 C ATOM 1290 O PRO A 679 188.859 5.858 8.341 1.00 0.00 O ATOM 1291 CB PRO A 679 187.631 6.859 5.904 1.00 0.00 C ATOM 1292 CG PRO A 679 186.253 6.798 5.343 1.00 0.00 C ATOM 1293 CD PRO A 679 185.580 5.626 6.014 1.00 0.00 C ATOM 0 HA PRO A 679 188.477 4.917 5.290 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.660 7.434 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.323 7.336 5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.711 7.723 5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.278 6.666 4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.953 5.947 6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.937 5.084 5.321 1.00 0.00 H new ATOM 1301 N GLY A 680 190.063 4.488 7.020 1.00 0.00 N ATOM 1302 CA GLY A 680 191.096 4.281 8.017 1.00 0.00 C ATOM 1303 C GLY A 680 191.085 2.871 8.581 1.00 0.00 C ATOM 1304 O GLY A 680 192.036 2.455 9.243 1.00 0.00 O ATOM 0 H GLY A 680 190.213 3.993 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 680 192.071 4.484 7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.961 4.995 8.829 1.00 0.00 H new ATOM 1308 N ALA A 681 190.007 2.134 8.320 1.00 0.00 N ATOM 1309 CA ALA A 681 189.882 0.766 8.807 1.00 0.00 C ATOM 1310 C ALA A 681 190.378 -0.234 7.768 1.00 0.00 C ATOM 1311 O ALA A 681 190.117 -0.087 6.574 1.00 0.00 O ATOM 1312 CB ALA A 681 188.436 0.472 9.180 1.00 0.00 C ATOM 0 H ALA A 681 189.210 2.463 7.775 1.00 0.00 H new ATOM 0 HA ALA A 681 190.504 0.662 9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.355 -0.553 9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 681 188.115 1.160 9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.801 0.598 8.303 1.00 0.00 H new ATOM 1318 N THR A 682 191.096 -1.251 8.233 1.00 0.00 N ATOM 1319 CA THR A 682 191.631 -2.279 7.347 1.00 0.00 C ATOM 1320 C THR A 682 190.624 -3.411 7.156 1.00 0.00 C ATOM 1321 O THR A 682 189.508 -3.357 7.673 1.00 0.00 O ATOM 1322 CB THR A 682 192.948 -2.826 7.908 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.351 -3.993 7.214 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.875 -3.167 9.379 1.00 0.00 C ATOM 0 H THR A 682 191.321 -1.386 9.219 1.00 0.00 H new ATOM 0 HA THR A 682 191.822 -1.827 6.374 1.00 0.00 H new ATOM 0 HB THR A 682 193.671 -2.022 7.772 1.00 0.00 H new ATOM 0 HG1 THR A 682 194.194 -4.322 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.840 -3.549 9.712 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.623 -2.272 9.948 1.00 0.00 H new ATOM 0 HG23 THR A 682 192.110 -3.926 9.539 1.00 0.00 H new ATOM 1332 N ASN A 683 191.024 -4.432 6.404 1.00 0.00 N ATOM 1333 CA ASN A 683 190.161 -5.579 6.131 1.00 0.00 C ATOM 1334 C ASN A 683 189.530 -6.124 7.411 1.00 0.00 C ATOM 1335 O ASN A 683 188.326 -6.377 7.459 1.00 0.00 O ATOM 1336 CB ASN A 683 190.958 -6.685 5.437 1.00 0.00 C ATOM 1337 CG ASN A 683 192.159 -7.129 6.248 1.00 0.00 C ATOM 1338 OD1 ASN A 683 193.240 -6.549 6.146 1.00 0.00 O ATOM 1339 ND2 ASN A 683 191.976 -8.164 7.060 1.00 0.00 N ATOM 0 H ASN A 683 191.945 -4.489 5.970 1.00 0.00 H new ATOM 0 HA ASN A 683 189.359 -5.241 5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 683 190.307 -7.541 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 683 191.293 -6.331 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 683 192.749 -8.508 7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 683 191.063 -8.615 7.113 1.00 0.00 H new ATOM 1346 N GLU A 684 190.348 -6.310 8.441 1.00 0.00 N ATOM 1347 CA GLU A 684 189.863 -6.835 9.713 1.00 0.00 C ATOM 1348 C GLU A 684 188.887 -5.871 10.374 1.00 0.00 C ATOM 1349 O GLU A 684 187.941 -6.293 11.039 1.00 0.00 O ATOM 1350 CB GLU A 684 191.034 -7.123 10.654 1.00 0.00 C ATOM 1351 CG GLU A 684 191.901 -5.908 10.937 1.00 0.00 C ATOM 1352 CD GLU A 684 193.169 -6.258 11.692 1.00 0.00 C ATOM 1353 OE1 GLU A 684 193.134 -6.265 12.940 1.00 0.00 O ATOM 1354 OE2 GLU A 684 194.196 -6.526 11.034 1.00 0.00 O ATOM 0 H GLU A 684 191.347 -6.106 8.421 1.00 0.00 H new ATOM 0 HA GLU A 684 189.334 -7.766 9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 684 190.645 -7.509 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 684 191.654 -7.908 10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 684 192.165 -5.427 9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 684 191.327 -5.184 11.515 1.00 0.00 H new ATOM 1361 N GLU A 685 189.108 -4.576 10.181 1.00 0.00 N ATOM 1362 CA GLU A 685 188.226 -3.572 10.756 1.00 0.00 C ATOM 1363 C GLU A 685 186.840 -3.693 10.141 1.00 0.00 C ATOM 1364 O GLU A 685 185.862 -3.971 10.835 1.00 0.00 O ATOM 1365 CB GLU A 685 188.784 -2.167 10.528 1.00 0.00 C ATOM 1366 CG GLU A 685 189.878 -1.780 11.510 1.00 0.00 C ATOM 1367 CD GLU A 685 189.332 -1.116 12.759 1.00 0.00 C ATOM 1368 OE1 GLU A 685 188.294 -0.429 12.660 1.00 0.00 O ATOM 1369 OE2 GLU A 685 189.943 -1.282 13.835 1.00 0.00 O ATOM 0 H GLU A 685 189.884 -4.200 9.635 1.00 0.00 H new ATOM 0 HA GLU A 685 188.158 -3.741 11.831 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.178 -2.102 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 685 187.970 -1.446 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 685 190.439 -2.671 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 685 190.578 -1.104 11.020 1.00 0.00 H new ATOM 1376 N VAL A 686 186.767 -3.507 8.826 1.00 0.00 N ATOM 1377 CA VAL A 686 185.507 -3.617 8.103 1.00 0.00 C ATOM 1378 C VAL A 686 184.780 -4.904 8.483 1.00 0.00 C ATOM 1379 O VAL A 686 183.562 -4.914 8.661 1.00 0.00 O ATOM 1380 CB VAL A 686 185.736 -3.589 6.578 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.442 -3.868 5.828 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.330 -2.254 6.152 1.00 0.00 C ATOM 0 H VAL A 686 187.569 -3.279 8.239 1.00 0.00 H new ATOM 0 HA VAL A 686 184.893 -2.760 8.381 1.00 0.00 H new ATOM 0 HB VAL A 686 186.446 -4.377 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.631 -3.843 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 686 184.065 -4.852 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.702 -3.110 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.485 -2.252 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.646 -1.449 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.285 -2.103 6.656 1.00 0.00 H new ATOM 1392 N TYR A 687 185.543 -5.986 8.611 1.00 0.00 N ATOM 1393 CA TYR A 687 184.981 -7.282 8.977 1.00 0.00 C ATOM 1394 C TYR A 687 184.063 -7.152 10.186 1.00 0.00 C ATOM 1395 O TYR A 687 182.919 -7.601 10.163 1.00 0.00 O ATOM 1396 CB TYR A 687 186.101 -8.281 9.284 1.00 0.00 C ATOM 1397 CG TYR A 687 186.555 -9.088 8.087 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.607 -8.523 6.819 1.00 0.00 C ATOM 1399 CD2 TYR A 687 186.936 -10.417 8.228 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.024 -9.259 5.725 1.00 0.00 C ATOM 1401 CE2 TYR A 687 187.356 -11.158 7.140 1.00 0.00 C ATOM 1402 CZ TYR A 687 187.399 -10.575 5.891 1.00 0.00 C ATOM 1403 OH TYR A 687 187.816 -11.311 4.806 1.00 0.00 O ATOM 0 H TYR A 687 186.553 -5.991 8.467 1.00 0.00 H new ATOM 0 HA TYR A 687 184.397 -7.647 8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 687 186.956 -7.739 9.688 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.760 -8.965 10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 687 186.317 -7.491 6.685 1.00 0.00 H new ATOM 0 HD2 TYR A 687 186.903 -10.878 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 687 187.056 -8.805 4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 687 187.649 -12.190 7.267 1.00 0.00 H new ATOM 0 HH TYR A 687 187.072 -11.417 4.177 1.00 0.00 H new ATOM 1413 N ASN A 688 184.576 -6.527 11.237 1.00 0.00 N ATOM 1414 CA ASN A 688 183.809 -6.328 12.462 1.00 0.00 C ATOM 1415 C ASN A 688 182.611 -5.417 12.215 1.00 0.00 C ATOM 1416 O ASN A 688 181.506 -5.687 12.685 1.00 0.00 O ATOM 1417 CB ASN A 688 184.699 -5.732 13.555 1.00 0.00 C ATOM 1418 CG ASN A 688 185.543 -6.783 14.250 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.279 -7.149 15.396 1.00 0.00 O ATOM 1420 ND2 ASN A 688 186.565 -7.273 13.559 1.00 0.00 N ATOM 0 H ASN A 688 185.522 -6.148 11.267 1.00 0.00 H new ATOM 0 HA ASN A 688 183.441 -7.300 12.791 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.352 -4.977 13.117 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.075 -5.225 14.292 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.169 -7.982 13.975 1.00 0.00 H new ATOM 0 HD22 ASN A 688 186.747 -6.940 12.612 1.00 0.00 H new ATOM 1427 N ILE A 689 182.839 -4.338 11.473 1.00 0.00 N ATOM 1428 CA ILE A 689 181.780 -3.385 11.162 1.00 0.00 C ATOM 1429 C ILE A 689 180.616 -4.070 10.450 1.00 0.00 C ATOM 1430 O ILE A 689 179.499 -4.112 10.966 1.00 0.00 O ATOM 1431 CB ILE A 689 182.313 -2.226 10.285 1.00 0.00 C ATOM 1432 CG1 ILE A 689 183.151 -1.266 11.130 1.00 0.00 C ATOM 1433 CG2 ILE A 689 181.170 -1.473 9.612 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.627 -1.596 11.143 1.00 0.00 C ATOM 0 H ILE A 689 183.748 -4.102 11.076 1.00 0.00 H new ATOM 0 HA ILE A 689 181.424 -2.977 12.108 1.00 0.00 H new ATOM 0 HB ILE A 689 182.941 -2.655 9.504 1.00 0.00 H new ATOM 0 HG12 ILE A 689 183.018 -0.252 10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.777 -1.276 12.154 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.575 -0.665 9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.607 -2.158 8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.510 -1.057 10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 689 185.156 -0.872 11.763 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.773 -2.597 11.550 1.00 0.00 H new ATOM 0 HD13 ILE A 689 185.017 -1.557 10.126 1.00 0.00 H new ATOM 1446 N ILE A 690 180.883 -4.597 9.261 1.00 0.00 N ATOM 1447 CA ILE A 690 179.855 -5.268 8.476 1.00 0.00 C ATOM 1448 C ILE A 690 179.227 -6.426 9.248 1.00 0.00 C ATOM 1449 O ILE A 690 178.012 -6.461 9.437 1.00 0.00 O ATOM 1450 CB ILE A 690 180.414 -5.779 7.135 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.043 -4.609 6.362 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.309 -6.450 6.327 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.219 -4.855 4.876 1.00 0.00 C ATOM 0 H ILE A 690 181.802 -4.573 8.820 1.00 0.00 H new ATOM 0 HA ILE A 690 179.082 -4.527 8.272 1.00 0.00 H new ATOM 0 HB ILE A 690 181.188 -6.524 7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.421 -3.724 6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 690 182.017 -4.385 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.716 -6.807 5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 690 178.907 -7.292 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.513 -5.731 6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.669 -3.977 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 690 181.867 -5.718 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.247 -5.047 4.421 1.00 0.00 H new ATOM 1465 N LEU A 691 180.053 -7.372 9.693 1.00 0.00 N ATOM 1466 CA LEU A 691 179.556 -8.524 10.446 1.00 0.00 C ATOM 1467 C LEU A 691 178.570 -8.089 11.524 1.00 0.00 C ATOM 1468 O LEU A 691 177.470 -8.629 11.634 1.00 0.00 O ATOM 1469 CB LEU A 691 180.717 -9.287 11.086 1.00 0.00 C ATOM 1470 CG LEU A 691 181.400 -10.320 10.184 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.407 -9.859 8.733 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.817 -10.586 10.664 1.00 0.00 C ATOM 0 H LEU A 691 181.062 -7.365 9.547 1.00 0.00 H new ATOM 0 HA LEU A 691 179.039 -9.181 9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.465 -8.566 11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.349 -9.795 11.977 1.00 0.00 H new ATOM 0 HG LEU A 691 180.831 -11.248 10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.898 -10.611 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.382 -9.720 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.947 -8.915 8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.289 -11.322 10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.390 -9.659 10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.790 -10.968 11.684 1.00 0.00 H new ATOM 1484 N GLU A 692 178.974 -7.104 12.312 1.00 0.00 N ATOM 1485 CA GLU A 692 178.130 -6.583 13.381 1.00 0.00 C ATOM 1486 C GLU A 692 176.816 -6.048 12.818 1.00 0.00 C ATOM 1487 O GLU A 692 175.787 -6.066 13.493 1.00 0.00 O ATOM 1488 CB GLU A 692 178.860 -5.475 14.142 1.00 0.00 C ATOM 1489 CG GLU A 692 179.767 -5.992 15.247 1.00 0.00 C ATOM 1490 CD GLU A 692 179.382 -5.463 16.616 1.00 0.00 C ATOM 1491 OE1 GLU A 692 178.179 -5.212 16.838 1.00 0.00 O ATOM 1492 OE2 GLU A 692 180.284 -5.301 17.465 1.00 0.00 O ATOM 0 H GLU A 692 179.883 -6.647 12.232 1.00 0.00 H new ATOM 0 HA GLU A 692 177.908 -7.399 14.068 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.455 -4.893 13.438 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.124 -4.797 14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 692 179.732 -7.081 15.260 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.797 -5.708 15.029 1.00 0.00 H new ATOM 1499 N SER A 693 176.861 -5.573 11.577 1.00 0.00 N ATOM 1500 CA SER A 693 175.677 -5.032 10.919 1.00 0.00 C ATOM 1501 C SER A 693 174.936 -6.113 10.131 1.00 0.00 C ATOM 1502 O SER A 693 173.789 -5.919 9.729 1.00 0.00 O ATOM 1503 CB SER A 693 176.069 -3.886 9.985 1.00 0.00 C ATOM 1504 OG SER A 693 177.049 -3.054 10.581 1.00 0.00 O ATOM 0 H SER A 693 177.706 -5.552 11.006 1.00 0.00 H new ATOM 0 HA SER A 693 175.008 -4.655 11.693 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.452 -4.291 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 693 175.187 -3.295 9.739 1.00 0.00 H new ATOM 0 HG SER A 693 177.914 -3.515 10.581 1.00 0.00 H new ATOM 1510 N LYS A 694 175.592 -7.251 9.915 1.00 0.00 N ATOM 1511 CA LYS A 694 174.982 -8.352 9.178 1.00 0.00 C ATOM 1512 C LYS A 694 173.782 -8.921 9.934 1.00 0.00 C ATOM 1513 O LYS A 694 172.928 -9.586 9.349 1.00 0.00 O ATOM 1514 CB LYS A 694 176.010 -9.456 8.921 1.00 0.00 C ATOM 1515 CG LYS A 694 176.709 -9.333 7.577 1.00 0.00 C ATOM 1516 CD LYS A 694 176.981 -10.697 6.963 1.00 0.00 C ATOM 1517 CE LYS A 694 178.387 -11.180 7.279 1.00 0.00 C ATOM 1518 NZ LYS A 694 179.371 -10.732 6.255 1.00 0.00 N ATOM 0 H LYS A 694 176.542 -7.433 10.239 1.00 0.00 H new ATOM 0 HA LYS A 694 174.632 -7.963 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 694 176.758 -9.437 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 694 175.513 -10.424 8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 694 176.093 -8.744 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 694 177.649 -8.795 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 694 176.255 -11.418 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 694 176.848 -10.644 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 694 178.687 -10.808 8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 694 178.393 -12.268 7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 180.181 -11.385 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 178.918 -10.724 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 179.702 -9.774 6.488 1.00 0.00 H new ATOM 1532 N SER A 695 173.722 -8.655 11.236 1.00 0.00 N ATOM 1533 CA SER A 695 172.626 -9.141 12.066 1.00 0.00 C ATOM 1534 C SER A 695 171.442 -8.178 12.030 1.00 0.00 C ATOM 1535 O SER A 695 170.299 -8.577 12.252 1.00 0.00 O ATOM 1536 CB SER A 695 173.097 -9.333 13.508 1.00 0.00 C ATOM 1537 OG SER A 695 172.266 -10.251 14.198 1.00 0.00 O ATOM 0 H SER A 695 174.420 -8.106 11.738 1.00 0.00 H new ATOM 0 HA SER A 695 172.301 -10.101 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 695 174.126 -9.694 13.513 1.00 0.00 H new ATOM 0 HB3 SER A 695 173.093 -8.374 14.026 1.00 0.00 H new ATOM 0 HG SER A 695 172.589 -10.358 15.117 1.00 0.00 H new ATOM 1543 N GLU A 696 171.721 -6.908 11.750 1.00 0.00 N ATOM 1544 CA GLU A 696 170.677 -5.893 11.687 1.00 0.00 C ATOM 1545 C GLU A 696 169.793 -6.095 10.458 1.00 0.00 C ATOM 1546 O GLU A 696 170.277 -6.483 9.394 1.00 0.00 O ATOM 1547 CB GLU A 696 171.296 -4.494 11.658 1.00 0.00 C ATOM 1548 CG GLU A 696 172.198 -4.203 12.847 1.00 0.00 C ATOM 1549 CD GLU A 696 171.527 -3.328 13.887 1.00 0.00 C ATOM 1550 OE1 GLU A 696 170.725 -3.861 14.684 1.00 0.00 O ATOM 1551 OE2 GLU A 696 171.803 -2.110 13.906 1.00 0.00 O ATOM 0 H GLU A 696 172.661 -6.559 11.563 1.00 0.00 H new ATOM 0 HA GLU A 696 170.058 -5.991 12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 696 171.871 -4.379 10.739 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.497 -3.753 11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 696 172.499 -5.143 13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 696 173.107 -3.714 12.498 1.00 0.00 H new ATOM 1558 N PRO A 697 168.480 -5.835 10.587 1.00 0.00 N ATOM 1559 CA PRO A 697 167.533 -5.993 9.481 1.00 0.00 C ATOM 1560 C PRO A 697 167.625 -4.861 8.460 1.00 0.00 C ATOM 1561 O PRO A 697 166.950 -4.888 7.431 1.00 0.00 O ATOM 1562 CB PRO A 697 166.176 -5.967 10.182 1.00 0.00 C ATOM 1563 CG PRO A 697 166.395 -5.122 11.389 1.00 0.00 C ATOM 1564 CD PRO A 697 167.816 -5.369 11.821 1.00 0.00 C ATOM 0 HA PRO A 697 167.723 -6.901 8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.404 -5.546 9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.851 -6.971 10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.235 -4.068 11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 697 165.695 -5.387 12.182 1.00 0.00 H new ATOM 0 HD2 PRO A 697 168.281 -4.462 12.208 1.00 0.00 H new ATOM 0 HD3 PRO A 697 167.870 -6.117 12.612 1.00 0.00 H new ATOM 1572 N GLN A 698 168.462 -3.866 8.746 1.00 0.00 N ATOM 1573 CA GLN A 698 168.630 -2.732 7.845 1.00 0.00 C ATOM 1574 C GLN A 698 170.067 -2.220 7.873 1.00 0.00 C ATOM 1575 O GLN A 698 170.754 -2.321 8.890 1.00 0.00 O ATOM 1576 CB GLN A 698 167.668 -1.605 8.226 1.00 0.00 C ATOM 1577 CG GLN A 698 167.611 -0.481 7.204 1.00 0.00 C ATOM 1578 CD GLN A 698 167.133 0.827 7.803 1.00 0.00 C ATOM 1579 OE1 GLN A 698 165.959 1.181 7.694 1.00 0.00 O ATOM 1580 NE2 GLN A 698 168.043 1.554 8.441 1.00 0.00 N ATOM 0 H GLN A 698 169.031 -3.823 9.591 1.00 0.00 H new ATOM 0 HA GLN A 698 168.404 -3.069 6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.668 -2.020 8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 698 167.968 -1.193 9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.601 -0.338 6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 698 166.946 -0.768 6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 698 169.005 1.223 8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 698 167.780 2.444 8.864 1.00 0.00 H new ATOM 1589 N VAL A 699 170.516 -1.674 6.748 1.00 0.00 N ATOM 1590 CA VAL A 699 171.872 -1.149 6.639 1.00 0.00 C ATOM 1591 C VAL A 699 171.905 0.126 5.801 1.00 0.00 C ATOM 1592 O VAL A 699 171.078 0.321 4.911 1.00 0.00 O ATOM 1593 CB VAL A 699 172.827 -2.189 6.014 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.196 -1.580 5.738 1.00 0.00 C ATOM 1595 CG2 VAL A 699 172.953 -3.407 6.917 1.00 0.00 C ATOM 0 H VAL A 699 169.960 -1.583 5.898 1.00 0.00 H new ATOM 0 HA VAL A 699 172.206 -0.921 7.651 1.00 0.00 H new ATOM 0 HB VAL A 699 172.404 -2.507 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.848 -2.335 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 699 174.090 -0.744 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.631 -1.225 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.630 -4.130 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.347 -3.102 7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 699 171.972 -3.863 7.052 1.00 0.00 H new ATOM 1605 N GLU A 700 172.879 0.981 6.089 1.00 0.00 N ATOM 1606 CA GLU A 700 173.045 2.234 5.363 1.00 0.00 C ATOM 1607 C GLU A 700 174.481 2.368 4.871 1.00 0.00 C ATOM 1608 O GLU A 700 175.397 2.595 5.661 1.00 0.00 O ATOM 1609 CB GLU A 700 172.683 3.422 6.258 1.00 0.00 C ATOM 1610 CG GLU A 700 172.842 4.771 5.575 1.00 0.00 C ATOM 1611 CD GLU A 700 173.643 5.755 6.404 1.00 0.00 C ATOM 1612 OE1 GLU A 700 173.748 5.550 7.632 1.00 0.00 O ATOM 1613 OE2 GLU A 700 174.166 6.731 5.826 1.00 0.00 O ATOM 0 H GLU A 700 173.569 0.828 6.824 1.00 0.00 H new ATOM 0 HA GLU A 700 172.375 2.229 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.651 3.313 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.311 3.399 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.332 4.630 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 700 171.856 5.190 5.373 1.00 0.00 H new ATOM 1620 N ILE A 701 174.676 2.216 3.565 1.00 0.00 N ATOM 1621 CA ILE A 701 176.007 2.310 2.981 1.00 0.00 C ATOM 1622 C ILE A 701 176.112 3.479 2.013 1.00 0.00 C ATOM 1623 O ILE A 701 175.200 3.739 1.228 1.00 0.00 O ATOM 1624 CB ILE A 701 176.404 1.014 2.244 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.178 0.359 1.597 1.00 0.00 C ATOM 1626 CG2 ILE A 701 177.089 0.054 3.205 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.469 -0.984 0.960 1.00 0.00 C ATOM 0 H ILE A 701 173.931 2.028 2.894 1.00 0.00 H new ATOM 0 HA ILE A 701 176.693 2.469 3.813 1.00 0.00 H new ATOM 0 HB ILE A 701 177.106 1.266 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.404 0.232 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.776 1.031 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.365 -0.857 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.985 0.523 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.408 -0.193 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.554 -1.385 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.220 -0.861 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.842 -1.673 1.718 1.00 0.00 H new ATOM 1639 N ILE A 702 177.239 4.177 2.076 1.00 0.00 N ATOM 1640 CA ILE A 702 177.486 5.321 1.208 1.00 0.00 C ATOM 1641 C ILE A 702 178.699 5.065 0.324 1.00 0.00 C ATOM 1642 O ILE A 702 179.633 4.377 0.730 1.00 0.00 O ATOM 1643 CB ILE A 702 177.714 6.610 2.026 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.780 6.649 3.241 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.507 7.839 1.155 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.315 6.488 2.891 1.00 0.00 C ATOM 0 H ILE A 702 178.000 3.969 2.723 1.00 0.00 H new ATOM 0 HA ILE A 702 176.601 5.456 0.586 1.00 0.00 H new ATOM 0 HB ILE A 702 178.744 6.612 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 702 177.067 5.858 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.917 7.596 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.672 8.738 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.212 7.819 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.488 7.843 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.717 6.526 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 702 175.010 7.293 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.162 5.529 2.397 1.00 0.00 H new ATOM 1658 N VAL A 703 178.682 5.614 -0.885 1.00 0.00 N ATOM 1659 CA VAL A 703 179.788 5.427 -1.816 1.00 0.00 C ATOM 1660 C VAL A 703 180.234 6.745 -2.436 1.00 0.00 C ATOM 1661 O VAL A 703 179.665 7.801 -2.158 1.00 0.00 O ATOM 1662 CB VAL A 703 179.413 4.448 -2.943 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.364 3.024 -2.417 1.00 0.00 C ATOM 1664 CG2 VAL A 703 178.084 4.840 -3.571 1.00 0.00 C ATOM 0 H VAL A 703 177.919 6.189 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 703 180.612 5.012 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 703 180.181 4.499 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 703 179.097 2.346 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.341 2.749 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.618 2.954 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.835 4.136 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.303 4.820 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.160 5.845 -3.987 1.00 0.00 H new ATOM 1674 N SER A 704 181.258 6.669 -3.280 1.00 0.00 N ATOM 1675 CA SER A 704 181.790 7.851 -3.948 1.00 0.00 C ATOM 1676 C SER A 704 182.184 7.531 -5.386 1.00 0.00 C ATOM 1677 O SER A 704 183.139 6.792 -5.628 1.00 0.00 O ATOM 1678 CB SER A 704 183.000 8.393 -3.184 1.00 0.00 C ATOM 1679 OG SER A 704 182.607 8.979 -1.955 1.00 0.00 O ATOM 0 H SER A 704 181.736 5.800 -3.518 1.00 0.00 H new ATOM 0 HA SER A 704 181.009 8.611 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 704 183.707 7.585 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 704 183.518 9.133 -3.794 1.00 0.00 H new ATOM 0 HG SER A 704 183.398 9.316 -1.485 1.00 0.00 H new ATOM 1741 N GLY B 945 186.255 -9.909 0.977 1.00 0.00 N ATOM 1742 CA GLY B 945 186.292 -9.418 2.342 1.00 0.00 C ATOM 1743 C GLY B 945 185.107 -9.887 3.165 1.00 0.00 C ATOM 1744 O GLY B 945 185.270 -10.639 4.125 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.214 -9.750 2.818 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.313 -8.328 2.331 1.00 0.00 H new ATOM 1748 N ILE B 946 183.912 -9.442 2.789 1.00 0.00 N ATOM 1749 CA ILE B 946 182.696 -9.818 3.499 1.00 0.00 C ATOM 1750 C ILE B 946 181.558 -10.063 2.522 1.00 0.00 C ATOM 1751 O ILE B 946 181.504 -9.463 1.450 1.00 0.00 O ATOM 1752 CB ILE B 946 182.244 -8.736 4.511 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.127 -7.489 4.415 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.255 -9.294 5.929 1.00 0.00 C ATOM 1755 CD1 ILE B 946 184.484 -7.658 5.052 1.00 0.00 C ATOM 0 H ILE B 946 183.761 -8.820 1.995 1.00 0.00 H new ATOM 0 HA ILE B 946 182.933 -10.731 4.046 1.00 0.00 H new ATOM 0 HB ILE B 946 181.224 -8.445 4.261 1.00 0.00 H new ATOM 0 HG12 ILE B 946 183.258 -7.227 3.365 1.00 0.00 H new ATOM 0 HG13 ILE B 946 182.614 -6.653 4.890 1.00 0.00 H new ATOM 0 HG21 ILE B 946 181.935 -8.520 6.627 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.574 -10.143 5.991 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.264 -9.618 6.185 1.00 0.00 H new ATOM 0 HD11 ILE B 946 185.054 -6.735 4.945 1.00 0.00 H new ATOM 0 HD12 ILE B 946 184.363 -7.889 6.110 1.00 0.00 H new ATOM 0 HD13 ILE B 946 185.017 -8.472 4.561 1.00 0.00 H new ATOM 1767 N TRP B 947 180.642 -10.936 2.909 1.00 0.00 N ATOM 1768 CA TRP B 947 179.494 -11.244 2.075 1.00 0.00 C ATOM 1769 C TRP B 947 178.339 -10.312 2.408 1.00 0.00 C ATOM 1770 O TRP B 947 177.898 -10.239 3.555 1.00 0.00 O ATOM 1771 CB TRP B 947 179.071 -12.705 2.254 1.00 0.00 C ATOM 1772 CG TRP B 947 179.331 -13.546 1.039 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.990 -14.742 0.996 1.00 0.00 C ATOM 1774 CD2 TRP B 947 178.942 -13.254 -0.310 1.00 0.00 C ATOM 1775 NE1 TRP B 947 180.033 -15.211 -0.295 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.397 -14.316 -1.115 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.252 -12.199 -0.916 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 179.185 -14.351 -2.492 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.042 -12.236 -2.283 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.507 -13.306 -3.057 1.00 0.00 C ATOM 0 H TRP B 947 180.672 -11.443 3.794 1.00 0.00 H new ATOM 0 HA TRP B 947 179.775 -11.096 1.032 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.605 -13.130 3.104 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.008 -12.743 2.494 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.415 -15.245 1.852 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.468 -16.084 -0.594 1.00 0.00 H new ATOM 0 HE3 TRP B 947 177.889 -11.370 -0.327 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.543 -15.174 -3.092 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.511 -11.426 -2.761 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.327 -13.306 -4.122 1.00 0.00 H new ATOM 1791 N ALA B 948 177.854 -9.599 1.399 1.00 0.00 N ATOM 1792 CA ALA B 948 176.748 -8.674 1.582 1.00 0.00 C ATOM 1793 C ALA B 948 175.787 -8.753 0.401 1.00 0.00 C ATOM 1794 O ALA B 948 175.216 -7.709 0.031 1.00 0.00 O ATOM 1795 CB ALA B 948 177.268 -7.254 1.764 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.621 -9.854 -0.156 1.00 0.00 O ATOM 0 H ALA B 948 178.211 -9.645 0.445 1.00 0.00 H new ATOM 0 HA ALA B 948 176.203 -8.956 2.483 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.428 -6.573 1.900 1.00 0.00 H new ATOM 0 HB2 ALA B 948 177.914 -7.213 2.641 1.00 0.00 H new ATOM 0 HB3 ALA B 948 177.835 -6.958 0.881 1.00 0.00 H new