USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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 Single : A 641 ASN : amide:sc= 0 X(o=0,f=0.0071) USER MOD Single : A 643 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 644 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 THR OG1 : rot -6:sc= 1.97 USER MOD Single : A 649 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= -0.587 USER MOD Single : A 660 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 661 SER OG : rot 180:sc= 0.037 USER MOD Single : A 664 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 669 TYR OH : rot 180:sc= 0 USER MOD Single : A 676 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 677 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 679 SER OG : rot 28:sc= 0.26 USER MOD Single : A 681 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.54) USER MOD Single : A 686 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 688 THR OG1 : rot -18:sc= -0.6 USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 694 GLN : amide:sc= -0.387 K(o=-0.39,f=0.27) USER MOD Single : A 695 ASN : amide:sc= 0.363 K(o=0.36,f=-3.5!) USER MOD Single : A 696 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.13) USER MOD Single : A 698 TYR OH : rot 180:sc= 0 USER MOD Single : A 699 TYR OH : rot 180:sc= 0 USER MOD Single : A 701 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 703 HIS : no HE2:sc= -0.308 X(o=-0.31,f=-0.37) USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 707 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 641 121.607 -26.443 9.734 1.00 0.00 N ATOM 2 CA ASN A 641 122.693 -25.575 9.208 1.00 0.00 C ATOM 3 C ASN A 641 123.627 -25.121 10.327 1.00 0.00 C ATOM 4 O ASN A 641 124.814 -24.890 10.101 1.00 0.00 O ATOM 5 CB ASN A 641 122.061 -24.362 8.524 1.00 0.00 C ATOM 6 CG ASN A 641 123.075 -23.538 7.756 1.00 0.00 C ATOM 7 OD1 ASN A 641 123.716 -22.645 8.312 1.00 0.00 O ATOM 8 ND2 ASN A 641 123.225 -23.833 6.471 1.00 0.00 N ATOM 0 HA ASN A 641 123.288 -26.142 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 641 121.280 -24.699 7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 641 121.581 -23.734 9.275 1.00 0.00 H new ATOM 0 HD21 ASN A 641 123.893 -23.312 5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 641 122.673 -24.581 6.052 1.00 0.00 H new ATOM 15 N ARG A 642 123.081 -24.997 11.533 1.00 0.00 N ATOM 16 CA ARG A 642 123.866 -24.572 12.686 1.00 0.00 C ATOM 17 C ARG A 642 124.421 -23.165 12.478 1.00 0.00 C ATOM 18 O ARG A 642 124.652 -22.741 11.348 1.00 0.00 O ATOM 19 CB ARG A 642 125.013 -25.553 12.941 1.00 0.00 C ATOM 20 CG ARG A 642 124.545 -26.971 13.237 1.00 0.00 C ATOM 21 CD ARG A 642 124.866 -27.378 14.666 1.00 0.00 C ATOM 22 NE ARG A 642 125.074 -28.819 14.790 1.00 0.00 N ATOM 23 CZ ARG A 642 126.173 -29.448 14.384 1.00 0.00 C ATOM 24 NH1 ARG A 642 127.169 -28.767 13.829 1.00 0.00 N1+ ATOM 25 NH2 ARG A 642 126.281 -30.761 14.532 1.00 0.00 N ATOM 0 H ARG A 642 122.099 -25.185 11.737 1.00 0.00 H new ATOM 0 HA ARG A 642 123.209 -24.560 13.556 1.00 0.00 H new ATOM 0 HB2 ARG A 642 125.667 -25.569 12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 642 125.609 -25.193 13.780 1.00 0.00 H new ATOM 0 HG2 ARG A 642 123.470 -27.043 13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 642 125.022 -27.664 12.544 1.00 0.00 H new ATOM 0 HD2 ARG A 642 125.760 -26.852 15.001 1.00 0.00 H new ATOM 0 HD3 ARG A 642 124.052 -27.071 15.322 1.00 0.00 H new ATOM 0 HE ARG A 642 124.332 -29.376 15.213 1.00 0.00 H new ATOM 0 HH11 ARG A 642 127.093 -27.757 13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 642 128.010 -29.254 13.519 1.00 0.00 H new ATOM 0 HH21 ARG A 642 125.520 -31.290 14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 642 127.125 -31.242 14.220 1.00 0.00 H new ATOM 39 N GLN A 643 124.631 -22.450 13.578 1.00 0.00 N ATOM 40 CA GLN A 643 125.160 -21.092 13.516 1.00 0.00 C ATOM 41 C GLN A 643 125.548 -20.593 14.904 1.00 0.00 C ATOM 42 O GLN A 643 124.695 -20.183 15.688 1.00 0.00 O ATOM 43 CB GLN A 643 124.129 -20.149 12.893 1.00 0.00 C ATOM 44 CG GLN A 643 124.717 -18.830 12.422 1.00 0.00 C ATOM 45 CD GLN A 643 123.655 -17.843 11.977 1.00 0.00 C ATOM 46 OE1 GLN A 643 123.571 -17.493 10.800 1.00 0.00 O ATOM 47 NE2 GLN A 643 122.838 -17.388 12.919 1.00 0.00 N ATOM 0 H GLN A 643 124.443 -22.787 14.522 1.00 0.00 H new ATOM 0 HA GLN A 643 126.054 -21.106 12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 643 123.656 -20.649 12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 643 123.345 -19.948 13.623 1.00 0.00 H new ATOM 0 HG2 GLN A 643 125.302 -18.389 13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 643 125.403 -19.017 11.596 1.00 0.00 H new ATOM 0 HE21 GLN A 643 122.944 -17.705 13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 643 122.104 -16.721 12.679 1.00 0.00 H new ATOM 56 N LYS A 644 126.844 -20.634 15.199 1.00 0.00 N ATOM 57 CA LYS A 644 127.347 -20.185 16.493 1.00 0.00 C ATOM 58 C LYS A 644 128.620 -19.362 16.327 1.00 0.00 C ATOM 59 O LYS A 644 129.727 -19.900 16.356 1.00 0.00 O ATOM 60 CB LYS A 644 127.616 -21.386 17.402 1.00 0.00 C ATOM 61 CG LYS A 644 128.521 -22.435 16.774 1.00 0.00 C ATOM 62 CD LYS A 644 129.610 -22.887 17.736 1.00 0.00 C ATOM 63 CE LYS A 644 129.724 -24.402 17.779 1.00 0.00 C ATOM 64 NZ LYS A 644 129.089 -24.972 18.998 1.00 0.00 N1+ ATOM 0 H LYS A 644 127.564 -20.973 14.561 1.00 0.00 H new ATOM 0 HA LYS A 644 126.586 -19.553 16.952 1.00 0.00 H new ATOM 0 HB2 LYS A 644 128.070 -21.035 18.329 1.00 0.00 H new ATOM 0 HB3 LYS A 644 126.666 -21.850 17.668 1.00 0.00 H new ATOM 0 HG2 LYS A 644 127.925 -23.295 16.469 1.00 0.00 H new ATOM 0 HG3 LYS A 644 128.978 -22.028 15.872 1.00 0.00 H new ATOM 0 HD2 LYS A 644 130.565 -22.458 17.433 1.00 0.00 H new ATOM 0 HD3 LYS A 644 129.394 -22.509 18.735 1.00 0.00 H new ATOM 0 HE2 LYS A 644 129.254 -24.827 16.892 1.00 0.00 H new ATOM 0 HE3 LYS A 644 130.775 -24.688 17.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 129.188 -26.007 18.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 129.554 -24.587 19.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 128.080 -24.721 19.013 1.00 0.00 H new ATOM 78 N THR A 645 128.454 -18.054 16.150 1.00 0.00 N ATOM 79 CA THR A 645 129.587 -17.152 15.978 1.00 0.00 C ATOM 80 C THR A 645 130.474 -17.592 14.818 1.00 0.00 C ATOM 81 O THR A 645 131.247 -18.543 14.939 1.00 0.00 O ATOM 82 CB THR A 645 130.440 -17.066 17.258 1.00 0.00 C ATOM 83 OG1 THR A 645 131.237 -18.247 17.401 1.00 0.00 O ATOM 84 CG2 THR A 645 129.559 -16.892 18.487 1.00 0.00 C ATOM 0 H THR A 645 127.543 -17.595 16.122 1.00 0.00 H new ATOM 0 HA THR A 645 129.173 -16.168 15.760 1.00 0.00 H new ATOM 0 HB THR A 645 131.093 -16.197 17.171 1.00 0.00 H new ATOM 0 HG1 THR A 645 130.995 -18.891 16.704 1.00 0.00 H new ATOM 0 HG21 THR A 645 130.184 -16.834 19.378 1.00 0.00 H new ATOM 0 HG22 THR A 645 128.978 -15.975 18.391 1.00 0.00 H new ATOM 0 HG23 THR A 645 128.883 -17.743 18.573 1.00 0.00 H new ATOM 92 N ARG A 646 130.358 -16.894 13.693 1.00 0.00 N ATOM 93 CA ARG A 646 131.149 -17.213 12.510 1.00 0.00 C ATOM 94 C ARG A 646 131.790 -15.954 11.927 1.00 0.00 C ATOM 95 O ARG A 646 131.195 -14.877 11.957 1.00 0.00 O ATOM 96 CB ARG A 646 130.274 -17.893 11.455 1.00 0.00 C ATOM 97 CG ARG A 646 130.813 -19.239 10.992 1.00 0.00 C ATOM 98 CD ARG A 646 131.313 -19.184 9.556 1.00 0.00 C ATOM 99 NE ARG A 646 130.606 -20.131 8.695 1.00 0.00 N ATOM 100 CZ ARG A 646 130.590 -20.053 7.366 1.00 0.00 C ATOM 101 NH1 ARG A 646 131.239 -19.077 6.742 1.00 0.00 N1+ ATOM 102 NH2 ARG A 646 129.923 -20.955 6.658 1.00 0.00 N ATOM 0 H ARG A 646 129.724 -16.104 13.576 1.00 0.00 H new ATOM 0 HA ARG A 646 131.944 -17.897 12.807 1.00 0.00 H new ATOM 0 HB2 ARG A 646 129.272 -18.032 11.861 1.00 0.00 H new ATOM 0 HB3 ARG A 646 130.180 -17.233 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 646 131.626 -19.550 11.648 1.00 0.00 H new ATOM 0 HG3 ARG A 646 130.030 -19.992 11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 646 131.186 -18.174 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 646 132.381 -19.402 9.535 1.00 0.00 H new ATOM 0 HE ARG A 646 130.096 -20.895 9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 646 131.754 -18.381 7.281 1.00 0.00 H new ATOM 0 HH12 ARG A 646 131.223 -19.023 5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 646 129.423 -21.707 7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 646 129.910 -20.896 5.640 1.00 0.00 H new ATOM 116 N PRO A 647 133.017 -16.073 11.389 1.00 0.00 N ATOM 117 CA PRO A 647 133.732 -14.936 10.799 1.00 0.00 C ATOM 118 C PRO A 647 132.902 -14.214 9.743 1.00 0.00 C ATOM 119 O PRO A 647 131.873 -14.721 9.295 1.00 0.00 O ATOM 120 CB PRO A 647 134.966 -15.580 10.161 1.00 0.00 C ATOM 121 CG PRO A 647 135.173 -16.843 10.921 1.00 0.00 C ATOM 122 CD PRO A 647 133.801 -17.320 11.311 1.00 0.00 C ATOM 0 HA PRO A 647 133.970 -14.176 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 647 134.805 -15.778 9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 647 135.836 -14.927 10.235 1.00 0.00 H new ATOM 0 HG2 PRO A 647 135.686 -17.586 10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 647 135.792 -16.672 11.802 1.00 0.00 H new ATOM 0 HD2 PRO A 647 133.390 -18.008 10.573 1.00 0.00 H new ATOM 0 HD3 PRO A 647 133.815 -17.847 12.265 1.00 0.00 H new ATOM 130 N ARG A 648 133.358 -13.030 9.347 1.00 0.00 N ATOM 131 CA ARG A 648 132.660 -12.237 8.341 1.00 0.00 C ATOM 132 C ARG A 648 131.264 -11.851 8.825 1.00 0.00 C ATOM 133 O ARG A 648 130.630 -12.589 9.577 1.00 0.00 O ATOM 134 CB ARG A 648 132.564 -13.017 7.026 1.00 0.00 C ATOM 135 CG ARG A 648 133.232 -12.314 5.855 1.00 0.00 C ATOM 136 CD ARG A 648 133.640 -13.300 4.770 1.00 0.00 C ATOM 137 NE ARG A 648 134.701 -14.201 5.217 1.00 0.00 N ATOM 138 CZ ARG A 648 134.487 -15.417 5.721 1.00 0.00 C ATOM 139 NH1 ARG A 648 133.252 -15.886 5.856 1.00 0.00 N1+ ATOM 140 NH2 ARG A 648 135.515 -16.167 6.093 1.00 0.00 N ATOM 0 H ARG A 648 134.209 -12.598 9.708 1.00 0.00 H new ATOM 0 HA ARG A 648 133.229 -11.323 8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 648 133.021 -13.997 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 648 131.514 -13.185 6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 648 132.550 -11.574 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 648 134.111 -11.775 6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 648 132.772 -13.885 4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 648 133.977 -12.752 3.890 1.00 0.00 H new ATOM 0 HE ARG A 648 135.666 -13.879 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 648 132.456 -15.315 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 648 133.100 -16.817 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 648 136.467 -15.814 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 648 135.354 -17.097 6.479 1.00 0.00 H new ATOM 154 N THR A 649 130.795 -10.687 8.389 1.00 0.00 N ATOM 155 CA THR A 649 129.476 -10.202 8.777 1.00 0.00 C ATOM 156 C THR A 649 128.388 -10.806 7.901 1.00 0.00 C ATOM 157 O THR A 649 127.355 -11.257 8.395 1.00 0.00 O ATOM 158 CB THR A 649 129.395 -8.666 8.692 1.00 0.00 C ATOM 159 OG1 THR A 649 129.497 -8.245 7.326 1.00 0.00 O ATOM 160 CG2 THR A 649 130.503 -8.019 9.510 1.00 0.00 C ATOM 0 H THR A 649 131.308 -10.062 7.767 1.00 0.00 H new ATOM 0 HA THR A 649 129.318 -10.510 9.810 1.00 0.00 H new ATOM 0 HB THR A 649 128.434 -8.352 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 649 129.443 -7.268 7.280 1.00 0.00 H new ATOM 0 HG21 THR A 649 130.425 -6.934 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 649 130.407 -8.318 10.554 1.00 0.00 H new ATOM 0 HG23 THR A 649 131.472 -8.341 9.129 1.00 0.00 H new ATOM 168 N LYS A 650 128.630 -10.813 6.596 1.00 0.00 N ATOM 169 CA LYS A 650 127.675 -11.362 5.642 1.00 0.00 C ATOM 170 C LYS A 650 126.338 -10.630 5.727 1.00 0.00 C ATOM 171 O LYS A 650 126.045 -9.965 6.720 1.00 0.00 O ATOM 172 CB LYS A 650 127.470 -12.859 5.897 1.00 0.00 C ATOM 173 CG LYS A 650 128.026 -13.743 4.794 1.00 0.00 C ATOM 174 CD LYS A 650 127.452 -15.150 4.866 1.00 0.00 C ATOM 175 CE LYS A 650 128.501 -16.197 4.536 1.00 0.00 C ATOM 176 NZ LYS A 650 128.121 -17.544 5.044 1.00 0.00 N1+ ATOM 0 H LYS A 650 129.482 -10.444 6.173 1.00 0.00 H new ATOM 0 HA LYS A 650 128.080 -11.224 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 650 127.945 -13.127 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 650 126.404 -13.058 6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 650 127.796 -13.304 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 650 129.112 -13.787 4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 650 127.057 -15.332 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 650 126.617 -15.239 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 650 128.641 -16.243 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 650 129.457 -15.902 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 128.863 -18.230 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 128.012 -17.507 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 127.222 -17.837 4.612 1.00 0.00 H new ATOM 190 N ILE A 651 125.532 -10.756 4.678 1.00 0.00 N ATOM 191 CA ILE A 651 124.226 -10.107 4.633 1.00 0.00 C ATOM 192 C ILE A 651 123.120 -11.118 4.353 1.00 0.00 C ATOM 193 O ILE A 651 123.261 -11.984 3.490 1.00 0.00 O ATOM 194 CB ILE A 651 124.183 -9.004 3.559 1.00 0.00 C ATOM 195 CG1 ILE A 651 125.396 -8.082 3.694 1.00 0.00 C ATOM 196 CG2 ILE A 651 122.890 -8.208 3.668 1.00 0.00 C ATOM 197 CD1 ILE A 651 125.480 -7.030 2.609 1.00 0.00 C ATOM 0 H ILE A 651 125.760 -11.302 3.847 1.00 0.00 H new ATOM 0 HA ILE A 651 124.063 -9.656 5.612 1.00 0.00 H new ATOM 0 HB ILE A 651 124.216 -9.474 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 651 125.361 -7.589 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 651 126.304 -8.685 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 651 122.875 -7.432 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 651 122.039 -8.875 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 651 122.829 -7.746 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 651 126.364 -6.413 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 651 125.547 -7.516 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 651 124.589 -6.403 2.641 1.00 0.00 H new ATOM 209 N SER A 652 122.020 -11.002 5.090 1.00 0.00 N ATOM 210 CA SER A 652 120.888 -11.906 4.922 1.00 0.00 C ATOM 211 C SER A 652 120.342 -11.840 3.500 1.00 0.00 C ATOM 212 O SER A 652 120.442 -10.811 2.833 1.00 0.00 O ATOM 213 CB SER A 652 119.781 -11.561 5.920 1.00 0.00 C ATOM 214 OG SER A 652 119.525 -10.167 5.935 1.00 0.00 O ATOM 0 H SER A 652 121.889 -10.291 5.809 1.00 0.00 H new ATOM 0 HA SER A 652 121.237 -12.921 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 652 118.870 -12.099 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 652 120.070 -11.892 6.918 1.00 0.00 H new ATOM 0 HG SER A 652 118.813 -9.972 6.579 1.00 0.00 H new ATOM 220 N VAL A 653 119.763 -12.945 3.041 1.00 0.00 N ATOM 221 CA VAL A 653 119.200 -13.012 1.697 1.00 0.00 C ATOM 222 C VAL A 653 118.104 -11.967 1.513 1.00 0.00 C ATOM 223 O VAL A 653 118.023 -11.316 0.471 1.00 0.00 O ATOM 224 CB VAL A 653 118.619 -14.406 1.398 1.00 0.00 C ATOM 225 CG1 VAL A 653 118.181 -14.503 -0.055 1.00 0.00 C ATOM 226 CG2 VAL A 653 119.632 -15.493 1.730 1.00 0.00 C ATOM 0 H VAL A 653 119.671 -13.806 3.580 1.00 0.00 H new ATOM 0 HA VAL A 653 120.015 -12.812 1.001 1.00 0.00 H new ATOM 0 HB VAL A 653 117.743 -14.554 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 653 117.773 -15.496 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 653 117.417 -13.752 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 653 119.038 -14.331 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 653 119.202 -16.470 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 653 120.530 -15.349 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 653 119.891 -15.439 2.787 1.00 0.00 H new ATOM 236 N GLU A 654 117.266 -11.810 2.532 1.00 0.00 N ATOM 237 CA GLU A 654 116.176 -10.843 2.483 1.00 0.00 C ATOM 238 C GLU A 654 116.720 -9.420 2.400 1.00 0.00 C ATOM 239 O GLU A 654 116.144 -8.564 1.729 1.00 0.00 O ATOM 240 CB GLU A 654 115.280 -10.993 3.716 1.00 0.00 C ATOM 241 CG GLU A 654 113.881 -11.492 3.393 1.00 0.00 C ATOM 242 CD GLU A 654 113.890 -12.826 2.672 1.00 0.00 C ATOM 243 OE1 GLU A 654 114.274 -12.857 1.484 1.00 0.00 O ATOM 244 OE2 GLU A 654 113.513 -13.840 3.296 1.00 0.00 O1- ATOM 0 H GLU A 654 117.321 -12.340 3.402 1.00 0.00 H new ATOM 0 HA GLU A 654 115.584 -11.039 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 654 115.751 -11.684 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 654 115.206 -10.030 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 654 113.311 -11.586 4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 654 113.369 -10.753 2.776 1.00 0.00 H new ATOM 251 N ALA A 655 117.832 -9.177 3.085 1.00 0.00 N ATOM 252 CA ALA A 655 118.454 -7.857 3.089 1.00 0.00 C ATOM 253 C ALA A 655 118.975 -7.493 1.703 1.00 0.00 C ATOM 254 O ALA A 655 118.868 -6.345 1.271 1.00 0.00 O ATOM 255 CB ALA A 655 119.582 -7.809 4.109 1.00 0.00 C ATOM 0 H ALA A 655 118.321 -9.876 3.644 1.00 0.00 H new ATOM 0 HA ALA A 655 117.696 -7.125 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 655 120.037 -6.819 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 655 119.184 -8.018 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 655 120.334 -8.556 3.855 1.00 0.00 H new ATOM 261 N LEU A 656 119.540 -8.477 1.010 1.00 0.00 N ATOM 262 CA LEU A 656 120.079 -8.259 -0.327 1.00 0.00 C ATOM 263 C LEU A 656 118.973 -7.855 -1.298 1.00 0.00 C ATOM 264 O LEU A 656 119.169 -6.989 -2.151 1.00 0.00 O ATOM 265 CB LEU A 656 120.780 -9.522 -0.830 1.00 0.00 C ATOM 266 CG LEU A 656 121.934 -9.276 -1.803 1.00 0.00 C ATOM 267 CD1 LEU A 656 122.962 -8.340 -1.186 1.00 0.00 C ATOM 268 CD2 LEU A 656 122.584 -10.593 -2.203 1.00 0.00 C ATOM 0 H LEU A 656 119.636 -9.433 1.353 1.00 0.00 H new ATOM 0 HA LEU A 656 120.805 -7.448 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 656 121.160 -10.075 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 656 120.042 -10.159 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 656 121.533 -8.803 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 656 123.776 -8.177 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 656 122.490 -7.386 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 656 123.358 -8.785 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 656 123.403 -10.399 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 656 122.971 -11.093 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 656 121.844 -11.232 -2.686 1.00 0.00 H new ATOM 280 N GLY A 657 117.813 -8.487 -1.162 1.00 0.00 N ATOM 281 CA GLY A 657 116.694 -8.180 -2.035 1.00 0.00 C ATOM 282 C GLY A 657 116.262 -6.731 -1.931 1.00 0.00 C ATOM 283 O GLY A 657 115.980 -6.087 -2.941 1.00 0.00 O ATOM 0 H GLY A 657 117.627 -9.206 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 657 116.970 -8.401 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 657 115.853 -8.826 -1.784 1.00 0.00 H new ATOM 287 N ILE A 658 116.210 -6.217 -0.706 1.00 0.00 N ATOM 288 CA ILE A 658 115.808 -4.836 -0.473 1.00 0.00 C ATOM 289 C ILE A 658 116.884 -3.867 -0.952 1.00 0.00 C ATOM 290 O ILE A 658 116.581 -2.783 -1.451 1.00 0.00 O ATOM 291 CB ILE A 658 115.524 -4.576 1.019 1.00 0.00 C ATOM 292 CG1 ILE A 658 114.562 -5.630 1.571 1.00 0.00 C ATOM 293 CG2 ILE A 658 114.956 -3.179 1.217 1.00 0.00 C ATOM 294 CD1 ILE A 658 114.635 -5.787 3.075 1.00 0.00 C ATOM 0 H ILE A 658 116.442 -6.737 0.140 1.00 0.00 H new ATOM 0 HA ILE A 658 114.892 -4.671 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 658 116.463 -4.646 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 658 113.543 -5.363 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 658 114.780 -6.590 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 658 114.761 -3.012 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 658 115.673 -2.440 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 658 114.026 -3.082 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 658 113.926 -6.550 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 658 115.644 -6.085 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 658 114.388 -4.839 3.552 1.00 0.00 H new ATOM 306 N LEU A 659 118.143 -4.266 -0.798 1.00 0.00 N ATOM 307 CA LEU A 659 119.265 -3.434 -1.218 1.00 0.00 C ATOM 308 C LEU A 659 119.363 -3.382 -2.739 1.00 0.00 C ATOM 309 O LEU A 659 119.673 -2.340 -3.316 1.00 0.00 O ATOM 310 CB LEU A 659 120.572 -3.967 -0.628 1.00 0.00 C ATOM 311 CG LEU A 659 121.601 -2.895 -0.260 1.00 0.00 C ATOM 312 CD1 LEU A 659 120.985 -1.864 0.672 1.00 0.00 C ATOM 313 CD2 LEU A 659 122.826 -3.532 0.381 1.00 0.00 C ATOM 0 H LEU A 659 118.411 -5.160 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 659 119.094 -2.423 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 659 120.340 -4.548 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 659 121.024 -4.652 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 659 121.915 -2.388 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 659 121.730 -1.109 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 659 120.138 -1.387 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 659 120.644 -2.355 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 659 123.548 -2.756 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 659 122.529 -4.063 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 659 123.280 -4.233 -0.319 1.00 0.00 H new ATOM 325 N GLN A 660 119.095 -4.514 -3.382 1.00 0.00 N ATOM 326 CA GLN A 660 119.151 -4.597 -4.838 1.00 0.00 C ATOM 327 C GLN A 660 118.173 -3.617 -5.477 1.00 0.00 C ATOM 328 O GLN A 660 118.525 -2.890 -6.405 1.00 0.00 O ATOM 329 CB GLN A 660 118.839 -6.022 -5.301 1.00 0.00 C ATOM 330 CG GLN A 660 119.996 -6.990 -5.110 1.00 0.00 C ATOM 331 CD GLN A 660 120.161 -7.938 -6.281 1.00 0.00 C ATOM 332 OE1 GLN A 660 120.480 -7.520 -7.394 1.00 0.00 O ATOM 333 NE2 GLN A 660 119.943 -9.226 -6.036 1.00 0.00 N ATOM 0 H GLN A 660 118.837 -5.386 -2.919 1.00 0.00 H new ATOM 0 HA GLN A 660 120.160 -4.333 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 660 117.972 -6.392 -4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 660 118.564 -6.001 -6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 660 120.918 -6.426 -4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 660 119.836 -7.567 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 660 119.680 -9.529 -5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 660 120.038 -9.911 -6.786 1.00 0.00 H new ATOM 342 N SER A 661 116.942 -3.603 -4.973 1.00 0.00 N ATOM 343 CA SER A 661 115.913 -2.711 -5.494 1.00 0.00 C ATOM 344 C SER A 661 116.357 -1.255 -5.396 1.00 0.00 C ATOM 345 O SER A 661 116.155 -0.470 -6.323 1.00 0.00 O ATOM 346 CB SER A 661 114.602 -2.909 -4.730 1.00 0.00 C ATOM 347 OG SER A 661 114.423 -4.267 -4.367 1.00 0.00 O ATOM 0 H SER A 661 116.634 -4.199 -4.205 1.00 0.00 H new ATOM 0 HA SER A 661 115.753 -2.954 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 661 114.602 -2.287 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 661 113.765 -2.581 -5.346 1.00 0.00 H new ATOM 0 HG SER A 661 113.579 -4.367 -3.879 1.00 0.00 H new ATOM 353 N PHE A 662 116.969 -0.901 -4.270 1.00 0.00 N ATOM 354 CA PHE A 662 117.446 0.459 -4.054 1.00 0.00 C ATOM 355 C PHE A 662 118.455 0.854 -5.128 1.00 0.00 C ATOM 356 O PHE A 662 118.298 1.876 -5.794 1.00 0.00 O ATOM 357 CB PHE A 662 118.084 0.585 -2.667 1.00 0.00 C ATOM 358 CG PHE A 662 118.147 1.999 -2.162 1.00 0.00 C ATOM 359 CD1 PHE A 662 116.987 2.736 -1.983 1.00 0.00 C ATOM 360 CD2 PHE A 662 119.365 2.588 -1.865 1.00 0.00 C ATOM 361 CE1 PHE A 662 117.043 4.036 -1.518 1.00 0.00 C ATOM 362 CE2 PHE A 662 119.426 3.888 -1.400 1.00 0.00 C ATOM 363 CZ PHE A 662 118.262 4.614 -1.226 1.00 0.00 C ATOM 0 H PHE A 662 117.146 -1.538 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 662 116.592 1.133 -4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 662 117.518 -0.020 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 662 119.093 0.175 -2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 662 116.030 2.290 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 662 120.277 2.025 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 662 116.132 4.600 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 662 120.382 4.336 -1.173 1.00 0.00 H new ATOM 0 HZ PHE A 662 118.307 5.630 -0.863 1.00 0.00 H new ATOM 373 N ILE A 663 119.486 0.031 -5.294 1.00 0.00 N ATOM 374 CA ILE A 663 120.521 0.288 -6.292 1.00 0.00 C ATOM 375 C ILE A 663 119.907 0.555 -7.666 1.00 0.00 C ATOM 376 O ILE A 663 120.503 1.234 -8.502 1.00 0.00 O ATOM 377 CB ILE A 663 121.507 -0.896 -6.399 1.00 0.00 C ATOM 378 CG1 ILE A 663 122.146 -1.182 -5.038 1.00 0.00 C ATOM 379 CG2 ILE A 663 122.579 -0.608 -7.440 1.00 0.00 C ATOM 380 CD1 ILE A 663 122.953 -2.461 -5.009 1.00 0.00 C ATOM 0 H ILE A 663 119.628 -0.820 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 663 121.065 1.173 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 663 120.952 -1.779 -6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 663 122.792 -0.347 -4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 663 121.363 -1.238 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 663 123.264 -1.454 -7.501 1.00 0.00 H new ATOM 0 HG22 ILE A 663 122.110 -0.451 -8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 663 123.132 0.287 -7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 663 123.377 -2.601 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 663 122.306 -3.305 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 663 123.758 -2.400 -5.741 1.00 0.00 H new ATOM 392 N GLN A 664 118.715 0.013 -7.891 1.00 0.00 N ATOM 393 CA GLN A 664 118.020 0.189 -9.161 1.00 0.00 C ATOM 394 C GLN A 664 117.251 1.509 -9.196 1.00 0.00 C ATOM 395 O GLN A 664 116.924 2.014 -10.270 1.00 0.00 O ATOM 396 CB GLN A 664 117.062 -0.981 -9.405 1.00 0.00 C ATOM 397 CG GLN A 664 117.417 -1.817 -10.623 1.00 0.00 C ATOM 398 CD GLN A 664 116.389 -2.892 -10.912 1.00 0.00 C ATOM 399 OE1 GLN A 664 116.570 -4.054 -10.551 1.00 0.00 O ATOM 400 NE2 GLN A 664 115.299 -2.509 -11.567 1.00 0.00 N ATOM 0 H GLN A 664 118.209 -0.553 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 664 118.769 0.213 -9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 664 117.055 -1.623 -8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 664 116.051 -0.592 -9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 664 117.510 -1.165 -11.492 1.00 0.00 H new ATOM 0 HG3 GLN A 664 118.390 -2.283 -10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 664 115.189 -1.535 -11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 664 114.572 -3.189 -11.789 1.00 0.00 H new ATOM 409 N ASP A 665 116.955 2.059 -8.021 1.00 0.00 N ATOM 410 CA ASP A 665 116.217 3.314 -7.935 1.00 0.00 C ATOM 411 C ASP A 665 117.120 4.467 -7.497 1.00 0.00 C ATOM 412 O ASP A 665 117.604 5.235 -8.328 1.00 0.00 O ATOM 413 CB ASP A 665 115.041 3.171 -6.964 1.00 0.00 C ATOM 414 CG ASP A 665 113.860 2.452 -7.590 1.00 0.00 C ATOM 415 OD1 ASP A 665 114.085 1.607 -8.481 1.00 0.00 O1- ATOM 416 OD2 ASP A 665 112.713 2.736 -7.187 1.00 0.00 O ATOM 0 H ASP A 665 117.214 1.657 -7.120 1.00 0.00 H new ATOM 0 HA ASP A 665 115.837 3.545 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 665 115.368 2.625 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 665 114.726 4.160 -6.630 1.00 0.00 H new ATOM 421 N VAL A 666 117.336 4.590 -6.190 1.00 0.00 N ATOM 422 CA VAL A 666 118.173 5.657 -5.650 1.00 0.00 C ATOM 423 C VAL A 666 119.535 5.130 -5.211 1.00 0.00 C ATOM 424 O VAL A 666 120.525 5.862 -5.219 1.00 0.00 O ATOM 425 CB VAL A 666 117.499 6.346 -4.448 1.00 0.00 C ATOM 426 CG1 VAL A 666 118.237 7.625 -4.082 1.00 0.00 C ATOM 427 CG2 VAL A 666 116.034 6.635 -4.746 1.00 0.00 C ATOM 0 H VAL A 666 116.943 3.965 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 666 118.308 6.381 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 666 117.545 5.669 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 666 117.746 8.097 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 666 119.268 7.388 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 666 118.226 8.307 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 666 115.577 7.122 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 666 115.962 7.291 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 666 115.514 5.700 -4.953 1.00 0.00 H new ATOM 437 N GLY A 667 119.576 3.860 -4.824 1.00 0.00 N ATOM 438 CA GLY A 667 120.820 3.255 -4.380 1.00 0.00 C ATOM 439 C GLY A 667 121.982 3.536 -5.311 1.00 0.00 C ATOM 440 O GLY A 667 122.073 2.970 -6.400 1.00 0.00 O ATOM 0 H GLY A 667 118.769 3.237 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 667 121.062 3.625 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 667 120.683 2.177 -4.295 1.00 0.00 H new ATOM 444 N LEU A 668 122.880 4.417 -4.879 1.00 0.00 N ATOM 445 CA LEU A 668 124.049 4.773 -5.673 1.00 0.00 C ATOM 446 C LEU A 668 124.838 5.887 -4.988 1.00 0.00 C ATOM 447 O LEU A 668 126.070 5.894 -5.012 1.00 0.00 O ATOM 448 CB LEU A 668 123.632 5.208 -7.083 1.00 0.00 C ATOM 449 CG LEU A 668 124.025 4.240 -8.201 1.00 0.00 C ATOM 450 CD1 LEU A 668 123.670 4.824 -9.560 1.00 0.00 C ATOM 451 CD2 LEU A 668 125.511 3.917 -8.130 1.00 0.00 C ATOM 0 H LEU A 668 122.819 4.898 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 668 124.687 3.893 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 668 122.550 5.340 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 668 124.076 6.181 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 668 123.466 3.314 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 668 123.956 4.122 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 668 122.596 5.004 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 668 124.203 5.764 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 668 125.772 3.227 -8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 668 126.088 4.835 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 668 125.738 3.457 -7.168 1.00 0.00 H new ATOM 463 N TYR A 669 124.118 6.821 -4.373 1.00 0.00 N ATOM 464 CA TYR A 669 124.744 7.937 -3.671 1.00 0.00 C ATOM 465 C TYR A 669 123.990 8.251 -2.380 1.00 0.00 C ATOM 466 O TYR A 669 123.531 9.375 -2.175 1.00 0.00 O ATOM 467 CB TYR A 669 124.784 9.178 -4.565 1.00 0.00 C ATOM 468 CG TYR A 669 125.291 8.909 -5.963 1.00 0.00 C ATOM 469 CD1 TYR A 669 124.417 8.555 -6.981 1.00 0.00 C ATOM 470 CD2 TYR A 669 126.642 9.012 -6.264 1.00 0.00 C ATOM 471 CE1 TYR A 669 124.874 8.310 -8.262 1.00 0.00 C ATOM 472 CE2 TYR A 669 127.109 8.768 -7.543 1.00 0.00 C ATOM 473 CZ TYR A 669 126.221 8.418 -8.538 1.00 0.00 C ATOM 474 OH TYR A 669 126.681 8.176 -9.812 1.00 0.00 O ATOM 0 H TYR A 669 123.098 6.827 -4.347 1.00 0.00 H new ATOM 0 HA TYR A 669 125.765 7.650 -3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 669 123.781 9.601 -4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 669 125.419 9.931 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 669 123.362 8.469 -6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 669 127.340 9.287 -5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 669 124.180 8.035 -9.043 1.00 0.00 H new ATOM 0 HE2 TYR A 669 128.163 8.851 -7.761 1.00 0.00 H new ATOM 0 HH TYR A 669 127.653 8.296 -9.837 1.00 0.00 H new ATOM 484 N PRO A 670 123.849 7.255 -1.488 1.00 0.00 N ATOM 485 CA PRO A 670 123.141 7.430 -0.215 1.00 0.00 C ATOM 486 C PRO A 670 123.879 8.369 0.734 1.00 0.00 C ATOM 487 O PRO A 670 125.104 8.478 0.689 1.00 0.00 O ATOM 488 CB PRO A 670 123.091 6.014 0.366 1.00 0.00 C ATOM 489 CG PRO A 670 124.228 5.297 -0.275 1.00 0.00 C ATOM 490 CD PRO A 670 124.361 5.882 -1.653 1.00 0.00 C ATOM 0 HA PRO A 670 122.159 7.881 -0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 670 123.194 6.028 1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 670 122.141 5.528 0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 670 125.146 5.432 0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 670 124.036 4.225 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 670 125.396 5.877 -1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 670 123.781 5.321 -2.386 1.00 0.00 H new ATOM 498 N ASP A 671 123.122 9.043 1.594 1.00 0.00 N ATOM 499 CA ASP A 671 123.701 9.972 2.558 1.00 0.00 C ATOM 500 C ASP A 671 123.604 9.416 3.973 1.00 0.00 C ATOM 501 O ASP A 671 123.137 8.296 4.180 1.00 0.00 O ATOM 502 CB ASP A 671 122.993 11.326 2.480 1.00 0.00 C ATOM 503 CG ASP A 671 121.509 11.219 2.771 1.00 0.00 C ATOM 504 OD1 ASP A 671 120.926 10.150 2.498 1.00 0.00 O1- ATOM 505 OD2 ASP A 671 120.930 12.206 3.273 1.00 0.00 O ATOM 0 H ASP A 671 122.106 8.963 1.643 1.00 0.00 H new ATOM 0 HA ASP A 671 124.754 10.105 2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 671 123.451 12.014 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 671 123.136 11.751 1.487 1.00 0.00 H new ATOM 510 N GLU A 672 124.047 10.205 4.948 1.00 0.00 N ATOM 511 CA GLU A 672 124.012 9.791 6.346 1.00 0.00 C ATOM 512 C GLU A 672 122.601 9.381 6.761 1.00 0.00 C ATOM 513 O GLU A 672 122.424 8.544 7.647 1.00 0.00 O ATOM 514 CB GLU A 672 124.511 10.923 7.247 1.00 0.00 C ATOM 515 CG GLU A 672 125.890 11.437 6.870 1.00 0.00 C ATOM 516 CD GLU A 672 126.942 10.345 6.880 1.00 0.00 C ATOM 517 OE1 GLU A 672 127.084 9.665 7.918 1.00 0.00 O1- ATOM 518 OE2 GLU A 672 127.625 10.169 5.849 1.00 0.00 O ATOM 0 H GLU A 672 124.435 11.136 4.795 1.00 0.00 H new ATOM 0 HA GLU A 672 124.668 8.928 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 672 123.801 11.749 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 672 124.533 10.572 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 672 125.847 11.886 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 672 126.183 12.225 7.564 1.00 0.00 H new ATOM 525 N GLU A 673 121.603 9.974 6.116 1.00 0.00 N ATOM 526 CA GLU A 673 120.208 9.668 6.420 1.00 0.00 C ATOM 527 C GLU A 673 119.840 8.268 5.939 1.00 0.00 C ATOM 528 O GLU A 673 119.006 7.594 6.543 1.00 0.00 O ATOM 529 CB GLU A 673 119.286 10.704 5.772 1.00 0.00 C ATOM 530 CG GLU A 673 118.852 11.810 6.720 1.00 0.00 C ATOM 531 CD GLU A 673 117.599 11.452 7.496 1.00 0.00 C ATOM 532 OE1 GLU A 673 116.752 10.715 6.949 1.00 0.00 O1- ATOM 533 OE2 GLU A 673 117.466 11.908 8.651 1.00 0.00 O ATOM 0 H GLU A 673 121.732 10.668 5.380 1.00 0.00 H new ATOM 0 HA GLU A 673 120.080 9.704 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 673 119.797 11.149 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 673 118.400 10.199 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 673 119.660 12.022 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 673 118.675 12.723 6.151 1.00 0.00 H new ATOM 540 N ALA A 674 120.464 7.839 4.847 1.00 0.00 N ATOM 541 CA ALA A 674 120.199 6.520 4.285 1.00 0.00 C ATOM 542 C ALA A 674 120.949 5.435 5.051 1.00 0.00 C ATOM 543 O ALA A 674 120.418 4.350 5.290 1.00 0.00 O ATOM 544 CB ALA A 674 120.580 6.488 2.812 1.00 0.00 C ATOM 0 H ALA A 674 121.156 8.385 4.334 1.00 0.00 H new ATOM 0 HA ALA A 674 119.131 6.321 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 674 120.377 5.497 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 674 119.995 7.230 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 674 121.641 6.713 2.706 1.00 0.00 H new ATOM 550 N ILE A 675 122.185 5.733 5.436 1.00 0.00 N ATOM 551 CA ILE A 675 123.006 4.782 6.176 1.00 0.00 C ATOM 552 C ILE A 675 122.403 4.483 7.544 1.00 0.00 C ATOM 553 O ILE A 675 122.331 3.328 7.963 1.00 0.00 O ATOM 554 CB ILE A 675 124.445 5.305 6.365 1.00 0.00 C ATOM 555 CG1 ILE A 675 125.035 5.738 5.021 1.00 0.00 C ATOM 556 CG2 ILE A 675 125.318 4.241 7.013 1.00 0.00 C ATOM 557 CD1 ILE A 675 125.044 4.638 3.982 1.00 0.00 C ATOM 0 H ILE A 675 122.641 6.626 5.248 1.00 0.00 H new ATOM 0 HA ILE A 675 123.036 3.866 5.586 1.00 0.00 H new ATOM 0 HB ILE A 675 124.414 6.172 7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 675 124.464 6.584 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 675 126.056 6.087 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 675 126.330 4.627 7.139 1.00 0.00 H new ATOM 0 HG22 ILE A 675 124.907 3.977 7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 675 125.344 3.355 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 675 125.476 5.016 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 675 125.640 3.800 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 675 124.023 4.304 3.797 1.00 0.00 H new ATOM 569 N GLN A 676 121.972 5.532 8.237 1.00 0.00 N ATOM 570 CA GLN A 676 121.376 5.381 9.559 1.00 0.00 C ATOM 571 C GLN A 676 120.055 4.621 9.481 1.00 0.00 C ATOM 572 O GLN A 676 119.781 3.749 10.306 1.00 0.00 O ATOM 573 CB GLN A 676 121.150 6.752 10.200 1.00 0.00 C ATOM 574 CG GLN A 676 122.434 7.437 10.639 1.00 0.00 C ATOM 575 CD GLN A 676 122.437 7.784 12.116 1.00 0.00 C ATOM 576 OE1 GLN A 676 122.331 6.905 12.971 1.00 0.00 O ATOM 577 NE2 GLN A 676 122.561 9.069 12.422 1.00 0.00 N ATOM 0 H GLN A 676 122.024 6.495 7.905 1.00 0.00 H new ATOM 0 HA GLN A 676 122.068 4.807 10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 676 120.630 7.395 9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 676 120.496 6.637 11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 676 123.281 6.786 10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 676 122.573 8.347 10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 676 122.646 9.764 11.680 1.00 0.00 H new ATOM 0 HE22 GLN A 676 122.571 9.362 13.399 1.00 0.00 H new ATOM 586 N THR A 677 119.243 4.957 8.485 1.00 0.00 N ATOM 587 CA THR A 677 117.951 4.305 8.301 1.00 0.00 C ATOM 588 C THR A 677 118.123 2.865 7.832 1.00 0.00 C ATOM 589 O THR A 677 117.615 1.934 8.456 1.00 0.00 O ATOM 590 CB THR A 677 117.079 5.065 7.283 1.00 0.00 C ATOM 591 OG1 THR A 677 117.027 6.454 7.622 1.00 0.00 O ATOM 592 CG2 THR A 677 115.669 4.493 7.247 1.00 0.00 C ATOM 0 H THR A 677 119.456 5.676 7.793 1.00 0.00 H new ATOM 0 HA THR A 677 117.453 4.310 9.271 1.00 0.00 H new ATOM 0 HB THR A 677 117.527 4.950 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 677 117.914 6.853 7.503 1.00 0.00 H new ATOM 0 HG21 THR A 677 115.071 5.045 6.522 1.00 0.00 H new ATOM 0 HG22 THR A 677 115.710 3.442 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 677 115.215 4.582 8.234 1.00 0.00 H new ATOM 600 N LEU A 678 118.841 2.689 6.727 1.00 0.00 N ATOM 601 CA LEU A 678 119.079 1.360 6.174 1.00 0.00 C ATOM 602 C LEU A 678 119.799 0.470 7.181 1.00 0.00 C ATOM 603 O LEU A 678 119.610 -0.747 7.196 1.00 0.00 O ATOM 604 CB LEU A 678 119.900 1.462 4.886 1.00 0.00 C ATOM 605 CG LEU A 678 119.130 1.968 3.665 1.00 0.00 C ATOM 606 CD1 LEU A 678 120.030 1.994 2.440 1.00 0.00 C ATOM 607 CD2 LEU A 678 117.906 1.100 3.412 1.00 0.00 C ATOM 0 H LEU A 678 119.268 3.449 6.197 1.00 0.00 H new ATOM 0 HA LEU A 678 118.112 0.910 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 678 120.746 2.126 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 678 120.310 0.479 4.656 1.00 0.00 H new ATOM 0 HG LEU A 678 118.795 2.986 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 678 119.465 2.357 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 678 120.876 2.656 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 678 120.395 0.988 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 678 117.369 1.473 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 678 118.220 0.072 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 678 117.251 1.132 4.283 1.00 0.00 H new ATOM 619 N SER A 679 120.626 1.083 8.021 1.00 0.00 N ATOM 620 CA SER A 679 121.374 0.345 9.033 1.00 0.00 C ATOM 621 C SER A 679 120.430 -0.389 9.982 1.00 0.00 C ATOM 622 O SER A 679 120.543 -1.600 10.170 1.00 0.00 O ATOM 623 CB SER A 679 122.275 1.294 9.825 1.00 0.00 C ATOM 624 OG SER A 679 122.782 0.665 10.989 1.00 0.00 O ATOM 0 H SER A 679 120.795 2.089 8.021 1.00 0.00 H new ATOM 0 HA SER A 679 121.994 -0.393 8.523 1.00 0.00 H new ATOM 0 HB2 SER A 679 123.102 1.624 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 679 121.713 2.185 10.105 1.00 0.00 H new ATOM 0 HG SER A 679 122.835 -0.302 10.841 1.00 0.00 H new ATOM 630 N ALA A 680 119.501 0.355 10.576 1.00 0.00 N ATOM 631 CA ALA A 680 118.540 -0.225 11.505 1.00 0.00 C ATOM 632 C ALA A 680 117.438 -0.972 10.759 1.00 0.00 C ATOM 633 O ALA A 680 116.887 -1.949 11.265 1.00 0.00 O ATOM 634 CB ALA A 680 117.939 0.859 12.386 1.00 0.00 C ATOM 0 H ALA A 680 119.395 1.359 10.430 1.00 0.00 H new ATOM 0 HA ALA A 680 119.067 -0.941 12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 680 117.223 0.412 13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 680 118.731 1.348 12.953 1.00 0.00 H new ATOM 0 HB3 ALA A 680 117.432 1.595 11.762 1.00 0.00 H new ATOM 640 N GLN A 681 117.123 -0.505 9.557 1.00 0.00 N ATOM 641 CA GLN A 681 116.086 -1.128 8.742 1.00 0.00 C ATOM 642 C GLN A 681 116.526 -2.508 8.261 1.00 0.00 C ATOM 643 O GLN A 681 115.711 -3.421 8.137 1.00 0.00 O ATOM 644 CB GLN A 681 115.750 -0.242 7.541 1.00 0.00 C ATOM 645 CG GLN A 681 114.518 -0.694 6.776 1.00 0.00 C ATOM 646 CD GLN A 681 114.861 -1.539 5.565 1.00 0.00 C ATOM 647 OE1 GLN A 681 114.350 -2.647 5.400 1.00 0.00 O ATOM 648 NE2 GLN A 681 115.731 -1.018 4.709 1.00 0.00 N ATOM 0 H GLN A 681 117.571 0.303 9.124 1.00 0.00 H new ATOM 0 HA GLN A 681 115.196 -1.245 9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 681 115.598 0.781 7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 681 116.603 -0.226 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 681 113.871 -1.265 7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 681 113.953 0.181 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 681 116.130 -0.096 4.885 1.00 0.00 H new ATOM 0 HE22 GLN A 681 116.001 -1.540 3.875 1.00 0.00 H new ATOM 657 N LEU A 682 117.821 -2.651 7.995 1.00 0.00 N ATOM 658 CA LEU A 682 118.367 -3.920 7.527 1.00 0.00 C ATOM 659 C LEU A 682 119.102 -4.659 8.646 1.00 0.00 C ATOM 660 O LEU A 682 119.654 -5.737 8.428 1.00 0.00 O ATOM 661 CB LEU A 682 119.318 -3.684 6.351 1.00 0.00 C ATOM 662 CG LEU A 682 118.636 -3.326 5.031 1.00 0.00 C ATOM 663 CD1 LEU A 682 119.654 -2.794 4.033 1.00 0.00 C ATOM 664 CD2 LEU A 682 117.910 -4.535 4.461 1.00 0.00 C ATOM 0 H LEU A 682 118.510 -1.906 8.095 1.00 0.00 H new ATOM 0 HA LEU A 682 117.532 -4.541 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 682 120.007 -2.882 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 682 119.917 -4.582 6.201 1.00 0.00 H new ATOM 0 HG LEU A 682 117.902 -2.544 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 682 119.151 -2.544 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 682 120.130 -1.901 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 682 120.411 -3.555 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 682 117.430 -4.262 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 682 118.625 -5.338 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 682 117.154 -4.873 5.170 1.00 0.00 H new ATOM 676 N ASP A 683 119.107 -4.077 9.844 1.00 0.00 N ATOM 677 CA ASP A 683 119.776 -4.690 10.986 1.00 0.00 C ATOM 678 C ASP A 683 121.261 -4.893 10.702 1.00 0.00 C ATOM 679 O ASP A 683 121.876 -5.834 11.204 1.00 0.00 O ATOM 680 CB ASP A 683 119.123 -6.031 11.328 1.00 0.00 C ATOM 681 CG ASP A 683 118.008 -5.887 12.344 1.00 0.00 C ATOM 682 OD1 ASP A 683 118.247 -5.279 13.408 1.00 0.00 O ATOM 683 OD2 ASP A 683 116.892 -6.383 12.076 1.00 0.00 O1- ATOM 0 H ASP A 683 118.656 -3.185 10.047 1.00 0.00 H new ATOM 0 HA ASP A 683 119.675 -4.017 11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 683 118.726 -6.481 10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 683 119.880 -6.712 11.717 1.00 0.00 H new ATOM 688 N LEU A 684 121.832 -4.005 9.892 1.00 0.00 N ATOM 689 CA LEU A 684 123.244 -4.088 9.540 1.00 0.00 C ATOM 690 C LEU A 684 123.992 -2.839 10.001 1.00 0.00 C ATOM 691 O LEU A 684 123.429 -1.746 10.040 1.00 0.00 O ATOM 692 CB LEU A 684 123.404 -4.264 8.029 1.00 0.00 C ATOM 693 CG LEU A 684 123.301 -5.707 7.531 1.00 0.00 C ATOM 694 CD1 LEU A 684 123.167 -5.740 6.017 1.00 0.00 C ATOM 695 CD2 LEU A 684 124.509 -6.512 7.978 1.00 0.00 C ATOM 0 H LEU A 684 121.337 -3.220 9.468 1.00 0.00 H new ATOM 0 HA LEU A 684 123.671 -4.954 10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 684 122.643 -3.667 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 684 124.372 -3.861 7.732 1.00 0.00 H new ATOM 0 HG LEU A 684 122.408 -6.158 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 684 123.095 -6.774 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 684 122.269 -5.198 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 684 124.041 -5.271 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 684 124.419 -7.536 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 684 125.416 -6.062 7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 684 124.561 -6.517 9.067 1.00 0.00 H new ATOM 707 N PRO A 685 125.281 -2.986 10.357 1.00 0.00 N ATOM 708 CA PRO A 685 126.106 -1.864 10.817 1.00 0.00 C ATOM 709 C PRO A 685 126.078 -0.689 9.846 1.00 0.00 C ATOM 710 O PRO A 685 125.369 -0.719 8.839 1.00 0.00 O ATOM 711 CB PRO A 685 127.513 -2.461 10.891 1.00 0.00 C ATOM 712 CG PRO A 685 127.295 -3.922 11.088 1.00 0.00 C ATOM 713 CD PRO A 685 126.033 -4.255 10.341 1.00 0.00 C ATOM 0 HA PRO A 685 125.750 -1.460 11.765 1.00 0.00 H new ATOM 0 HB2 PRO A 685 128.075 -2.264 9.978 1.00 0.00 H new ATOM 0 HB3 PRO A 685 128.083 -2.031 11.715 1.00 0.00 H new ATOM 0 HG2 PRO A 685 128.138 -4.498 10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 685 127.197 -4.163 12.147 1.00 0.00 H new ATOM 0 HD2 PRO A 685 126.243 -4.584 9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 685 125.478 -5.057 10.827 1.00 0.00 H new ATOM 721 N LYS A 686 126.854 0.345 10.154 1.00 0.00 N ATOM 722 CA LYS A 686 126.917 1.532 9.309 1.00 0.00 C ATOM 723 C LYS A 686 127.934 1.348 8.186 1.00 0.00 C ATOM 724 O LYS A 686 127.604 1.479 7.009 1.00 0.00 O ATOM 725 CB LYS A 686 127.282 2.760 10.145 1.00 0.00 C ATOM 726 CG LYS A 686 126.084 3.436 10.789 1.00 0.00 C ATOM 727 CD LYS A 686 125.379 2.509 11.766 1.00 0.00 C ATOM 728 CE LYS A 686 124.930 3.253 13.014 1.00 0.00 C ATOM 729 NZ LYS A 686 125.881 3.062 14.145 1.00 0.00 N1+ ATOM 0 H LYS A 686 127.448 0.385 10.982 1.00 0.00 H new ATOM 0 HA LYS A 686 125.933 1.682 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 686 127.983 2.463 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 686 127.798 3.481 9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 686 126.410 4.336 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 686 125.384 3.752 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 686 124.515 2.056 11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 686 126.049 1.697 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 686 124.840 4.316 12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 686 123.940 2.904 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 125.540 3.584 14.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 125.948 2.050 14.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 126.820 3.418 13.873 1.00 0.00 H new ATOM 743 N TYR A 687 129.173 1.043 8.561 1.00 0.00 N ATOM 744 CA TYR A 687 130.240 0.841 7.586 1.00 0.00 C ATOM 745 C TYR A 687 129.886 -0.274 6.608 1.00 0.00 C ATOM 746 O TYR A 687 130.313 -0.258 5.454 1.00 0.00 O ATOM 747 CB TYR A 687 131.553 0.512 8.298 1.00 0.00 C ATOM 748 CG TYR A 687 131.518 -0.790 9.065 1.00 0.00 C ATOM 749 CD1 TYR A 687 131.679 -2.006 8.413 1.00 0.00 C ATOM 750 CD2 TYR A 687 131.323 -0.805 10.441 1.00 0.00 C ATOM 751 CE1 TYR A 687 131.648 -3.199 9.111 1.00 0.00 C ATOM 752 CE2 TYR A 687 131.292 -1.994 11.145 1.00 0.00 C ATOM 753 CZ TYR A 687 131.453 -3.188 10.475 1.00 0.00 C ATOM 754 OH TYR A 687 131.421 -4.374 11.172 1.00 0.00 O ATOM 0 H TYR A 687 129.463 0.930 9.532 1.00 0.00 H new ATOM 0 HA TYR A 687 130.360 1.766 7.022 1.00 0.00 H new ATOM 0 HB2 TYR A 687 132.355 0.468 7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 687 131.796 1.322 8.985 1.00 0.00 H new ATOM 0 HD1 TYR A 687 131.831 -2.020 7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 687 131.194 0.128 10.969 1.00 0.00 H new ATOM 0 HE1 TYR A 687 131.776 -4.136 8.589 1.00 0.00 H new ATOM 0 HE2 TYR A 687 131.142 -1.988 12.215 1.00 0.00 H new ATOM 0 HH TYR A 687 131.276 -4.190 12.124 1.00 0.00 H new ATOM 764 N THR A 688 129.101 -1.240 7.076 1.00 0.00 N ATOM 765 CA THR A 688 128.692 -2.363 6.240 1.00 0.00 C ATOM 766 C THR A 688 127.935 -1.884 5.006 1.00 0.00 C ATOM 767 O THR A 688 128.074 -2.452 3.922 1.00 0.00 O ATOM 768 CB THR A 688 127.804 -3.350 7.021 1.00 0.00 C ATOM 769 OG1 THR A 688 128.423 -3.686 8.269 1.00 0.00 O ATOM 770 CG2 THR A 688 127.563 -4.616 6.213 1.00 0.00 C ATOM 0 H THR A 688 128.736 -1.267 8.028 1.00 0.00 H new ATOM 0 HA THR A 688 129.604 -2.873 5.928 1.00 0.00 H new ATOM 0 HB THR A 688 126.844 -2.869 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 688 129.377 -3.466 8.231 1.00 0.00 H new ATOM 0 HG21 THR A 688 126.934 -5.298 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 688 127.066 -4.361 5.277 1.00 0.00 H new ATOM 0 HG23 THR A 688 128.517 -5.097 5.997 1.00 0.00 H new ATOM 778 N ILE A 689 127.135 -0.837 5.176 1.00 0.00 N ATOM 779 CA ILE A 689 126.357 -0.282 4.075 1.00 0.00 C ATOM 780 C ILE A 689 127.206 0.650 3.217 1.00 0.00 C ATOM 781 O ILE A 689 126.987 0.771 2.011 1.00 0.00 O ATOM 782 CB ILE A 689 125.128 0.490 4.588 1.00 0.00 C ATOM 783 CG1 ILE A 689 124.366 -0.346 5.617 1.00 0.00 C ATOM 784 CG2 ILE A 689 124.219 0.871 3.428 1.00 0.00 C ATOM 785 CD1 ILE A 689 123.230 0.402 6.282 1.00 0.00 C ATOM 0 H ILE A 689 127.008 -0.356 6.066 1.00 0.00 H new ATOM 0 HA ILE A 689 126.021 -1.124 3.470 1.00 0.00 H new ATOM 0 HB ILE A 689 125.469 1.405 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 689 123.968 -1.235 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 689 125.062 -0.688 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 689 123.355 1.416 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 689 124.767 1.501 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 689 123.883 -0.031 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 689 122.734 -0.252 6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 689 123.624 1.276 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 689 122.513 0.721 5.526 1.00 0.00 H new ATOM 797 N ILE A 690 128.176 1.305 3.845 1.00 0.00 N ATOM 798 CA ILE A 690 129.059 2.226 3.139 1.00 0.00 C ATOM 799 C ILE A 690 129.990 1.473 2.194 1.00 0.00 C ATOM 800 O ILE A 690 130.294 1.947 1.099 1.00 0.00 O ATOM 801 CB ILE A 690 129.903 3.061 4.121 1.00 0.00 C ATOM 802 CG1 ILE A 690 129.002 3.732 5.160 1.00 0.00 C ATOM 803 CG2 ILE A 690 130.718 4.102 3.370 1.00 0.00 C ATOM 804 CD1 ILE A 690 129.758 4.284 6.349 1.00 0.00 C ATOM 0 H ILE A 690 128.371 1.215 4.842 1.00 0.00 H new ATOM 0 HA ILE A 690 128.423 2.897 2.561 1.00 0.00 H new ATOM 0 HB ILE A 690 130.592 2.394 4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 690 128.451 4.542 4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 690 128.266 3.009 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 690 131.308 4.683 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 690 131.384 3.604 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 690 130.047 4.767 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 690 129.056 4.745 7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 690 130.288 3.474 6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 690 130.475 5.031 6.009 1.00 0.00 H new ATOM 816 N LYS A 691 130.437 0.299 2.624 1.00 0.00 N ATOM 817 CA LYS A 691 131.333 -0.520 1.815 1.00 0.00 C ATOM 818 C LYS A 691 130.565 -1.224 0.701 1.00 0.00 C ATOM 819 O LYS A 691 131.100 -1.458 -0.384 1.00 0.00 O ATOM 820 CB LYS A 691 132.048 -1.552 2.693 1.00 0.00 C ATOM 821 CG LYS A 691 133.512 -1.226 2.942 1.00 0.00 C ATOM 822 CD LYS A 691 133.948 -1.655 4.333 1.00 0.00 C ATOM 823 CE LYS A 691 134.627 -3.016 4.310 1.00 0.00 C ATOM 824 NZ LYS A 691 136.105 -2.902 4.458 1.00 0.00 N1+ ATOM 0 H LYS A 691 130.194 -0.107 3.528 1.00 0.00 H new ATOM 0 HA LYS A 691 132.077 0.135 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 691 131.532 -1.623 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 691 131.977 -2.531 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 691 134.129 -1.726 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 691 133.673 -0.154 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 691 134.632 -0.913 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 691 133.081 -1.691 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 691 134.228 -3.634 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 691 134.394 -3.522 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 136.530 -3.851 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 136.489 -2.333 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 136.329 -2.442 5.364 1.00 0.00 H new ATOM 838 N PHE A 692 129.307 -1.556 0.973 1.00 0.00 N ATOM 839 CA PHE A 692 128.465 -2.231 -0.006 1.00 0.00 C ATOM 840 C PHE A 692 128.183 -1.323 -1.199 1.00 0.00 C ATOM 841 O PHE A 692 128.444 -1.687 -2.344 1.00 0.00 O ATOM 842 CB PHE A 692 127.148 -2.669 0.638 1.00 0.00 C ATOM 843 CG PHE A 692 126.324 -3.571 -0.234 1.00 0.00 C ATOM 844 CD1 PHE A 692 125.648 -3.065 -1.334 1.00 0.00 C ATOM 845 CD2 PHE A 692 126.224 -4.924 0.045 1.00 0.00 C ATOM 846 CE1 PHE A 692 124.888 -3.893 -2.138 1.00 0.00 C ATOM 847 CE2 PHE A 692 125.464 -5.757 -0.757 1.00 0.00 C ATOM 848 CZ PHE A 692 124.797 -5.240 -1.849 1.00 0.00 C ATOM 0 H PHE A 692 128.849 -1.368 1.865 1.00 0.00 H new ATOM 0 HA PHE A 692 128.999 -3.113 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 692 127.364 -3.182 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 692 126.563 -1.784 0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 692 125.716 -2.012 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 692 126.745 -5.333 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 692 124.366 -3.487 -2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 692 125.393 -6.810 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 692 124.204 -5.889 -2.477 1.00 0.00 H new ATOM 858 N PHE A 693 127.650 -0.138 -0.920 1.00 0.00 N ATOM 859 CA PHE A 693 127.332 0.824 -1.968 1.00 0.00 C ATOM 860 C PHE A 693 128.585 1.216 -2.746 1.00 0.00 C ATOM 861 O PHE A 693 128.534 1.435 -3.955 1.00 0.00 O ATOM 862 CB PHE A 693 126.681 2.071 -1.366 1.00 0.00 C ATOM 863 CG PHE A 693 125.210 1.913 -1.105 1.00 0.00 C ATOM 864 CD1 PHE A 693 124.318 1.765 -2.156 1.00 0.00 C ATOM 865 CD2 PHE A 693 124.718 1.913 0.190 1.00 0.00 C ATOM 866 CE1 PHE A 693 122.965 1.619 -1.919 1.00 0.00 C ATOM 867 CE2 PHE A 693 123.365 1.769 0.433 1.00 0.00 C ATOM 868 CZ PHE A 693 122.487 1.621 -0.623 1.00 0.00 C ATOM 0 H PHE A 693 127.429 0.179 0.024 1.00 0.00 H new ATOM 0 HA PHE A 693 126.631 0.353 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 693 127.183 2.318 -0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 693 126.834 2.913 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 693 124.685 1.764 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 693 125.400 2.027 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 693 122.281 1.503 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 693 122.995 1.772 1.448 1.00 0.00 H new ATOM 0 HZ PHE A 693 121.429 1.507 -0.436 1.00 0.00 H new ATOM 878 N GLN A 694 129.709 1.304 -2.040 1.00 0.00 N ATOM 879 CA GLN A 694 130.976 1.668 -2.664 1.00 0.00 C ATOM 880 C GLN A 694 131.443 0.580 -3.625 1.00 0.00 C ATOM 881 O GLN A 694 132.084 0.863 -4.637 1.00 0.00 O ATOM 882 CB GLN A 694 132.041 1.919 -1.593 1.00 0.00 C ATOM 883 CG GLN A 694 132.406 3.385 -1.431 1.00 0.00 C ATOM 884 CD GLN A 694 133.872 3.586 -1.097 1.00 0.00 C ATOM 885 OE1 GLN A 694 134.752 3.270 -1.899 1.00 0.00 O ATOM 886 NE2 GLN A 694 134.140 4.113 0.092 1.00 0.00 N ATOM 0 H GLN A 694 129.768 1.128 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 694 130.823 2.584 -3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 694 131.682 1.535 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 694 132.939 1.355 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 694 132.170 3.919 -2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 694 131.794 3.823 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 694 133.378 4.360 0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 694 135.108 4.271 0.373 1.00 0.00 H new ATOM 895 N ASN A 695 131.119 -0.668 -3.299 1.00 0.00 N ATOM 896 CA ASN A 695 131.506 -1.799 -4.134 1.00 0.00 C ATOM 897 C ASN A 695 130.774 -1.763 -5.472 1.00 0.00 C ATOM 898 O ASN A 695 131.342 -2.099 -6.511 1.00 0.00 O ATOM 899 CB ASN A 695 131.213 -3.117 -3.412 1.00 0.00 C ATOM 900 CG ASN A 695 132.421 -3.644 -2.663 1.00 0.00 C ATOM 901 OD1 ASN A 695 132.969 -4.692 -3.005 1.00 0.00 O ATOM 902 ND2 ASN A 695 132.842 -2.920 -1.634 1.00 0.00 N ATOM 0 H ASN A 695 130.590 -0.921 -2.464 1.00 0.00 H new ATOM 0 HA ASN A 695 132.577 -1.729 -4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 695 130.390 -2.970 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 695 130.885 -3.861 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 695 133.650 -3.226 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 695 132.358 -2.057 -1.385 1.00 0.00 H new ATOM 909 N GLN A 696 129.510 -1.352 -5.439 1.00 0.00 N ATOM 910 CA GLN A 696 128.701 -1.271 -6.650 1.00 0.00 C ATOM 911 C GLN A 696 129.288 -0.261 -7.629 1.00 0.00 C ATOM 912 O GLN A 696 129.495 -0.568 -8.803 1.00 0.00 O ATOM 913 CB GLN A 696 127.262 -0.886 -6.301 1.00 0.00 C ATOM 914 CG GLN A 696 126.626 -1.786 -5.255 1.00 0.00 C ATOM 915 CD GLN A 696 126.464 -3.215 -5.736 1.00 0.00 C ATOM 916 OE1 GLN A 696 125.934 -3.460 -6.820 1.00 0.00 O ATOM 917 NE2 GLN A 696 126.919 -4.166 -4.930 1.00 0.00 N ATOM 0 H GLN A 696 129.024 -1.070 -4.587 1.00 0.00 H new ATOM 0 HA GLN A 696 128.702 -2.252 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 696 127.248 0.142 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 696 126.658 -0.914 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 696 127.238 -1.777 -4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 696 125.650 -1.386 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 696 127.351 -3.917 -4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 696 126.836 -5.146 -5.200 1.00 0.00 H new ATOM 926 N ARG A 697 129.555 0.945 -7.139 1.00 0.00 N ATOM 927 CA ARG A 697 130.118 2.001 -7.972 1.00 0.00 C ATOM 928 C ARG A 697 131.520 1.630 -8.447 1.00 0.00 C ATOM 929 O ARG A 697 131.852 1.798 -9.621 1.00 0.00 O ATOM 930 CB ARG A 697 130.165 3.319 -7.198 1.00 0.00 C ATOM 931 CG ARG A 697 128.909 4.161 -7.354 1.00 0.00 C ATOM 932 CD ARG A 697 129.060 5.516 -6.683 1.00 0.00 C ATOM 933 NE ARG A 697 130.110 6.322 -7.303 1.00 0.00 N ATOM 934 CZ ARG A 697 130.388 7.575 -6.952 1.00 0.00 C ATOM 935 NH1 ARG A 697 129.697 8.171 -5.988 1.00 0.00 N1+ ATOM 936 NH2 ARG A 697 131.358 8.236 -7.569 1.00 0.00 N ATOM 0 H ARG A 697 129.391 1.215 -6.169 1.00 0.00 H new ATOM 0 HA ARG A 697 129.476 2.121 -8.845 1.00 0.00 H new ATOM 0 HB2 ARG A 697 130.320 3.104 -6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 697 131.025 3.898 -7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 697 128.692 4.300 -8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 697 128.059 3.632 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 697 128.113 6.053 -6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 697 129.289 5.374 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 697 130.662 5.899 -8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 697 128.948 7.668 -5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 697 129.915 9.132 -5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 697 131.891 7.784 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 697 131.572 9.197 -7.300 1.00 0.00 H new ATOM 950 N TYR A 698 132.336 1.122 -7.529 1.00 0.00 N ATOM 951 CA TYR A 698 133.700 0.727 -7.858 1.00 0.00 C ATOM 952 C TYR A 698 133.706 -0.472 -8.801 1.00 0.00 C ATOM 953 O TYR A 698 134.546 -0.567 -9.695 1.00 0.00 O ATOM 954 CB TYR A 698 134.477 0.392 -6.583 1.00 0.00 C ATOM 955 CG TYR A 698 135.109 1.598 -5.925 1.00 0.00 C ATOM 956 CD1 TYR A 698 134.326 2.634 -5.430 1.00 0.00 C ATOM 957 CD2 TYR A 698 136.488 1.701 -5.800 1.00 0.00 C ATOM 958 CE1 TYR A 698 134.900 3.737 -4.828 1.00 0.00 C ATOM 959 CE2 TYR A 698 137.070 2.800 -5.200 1.00 0.00 C ATOM 960 CZ TYR A 698 136.273 3.816 -4.715 1.00 0.00 C ATOM 961 OH TYR A 698 136.848 4.913 -4.117 1.00 0.00 O ATOM 0 H TYR A 698 132.077 0.975 -6.554 1.00 0.00 H new ATOM 0 HA TYR A 698 134.184 1.564 -8.361 1.00 0.00 H new ATOM 0 HB2 TYR A 698 133.804 -0.088 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 698 135.257 -0.331 -6.822 1.00 0.00 H new ATOM 0 HD1 TYR A 698 133.251 2.576 -5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 698 137.116 0.908 -6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 698 134.277 4.533 -4.448 1.00 0.00 H new ATOM 0 HE2 TYR A 698 138.144 2.864 -5.111 1.00 0.00 H new ATOM 0 HH TYR A 698 137.823 4.812 -4.117 1.00 0.00 H new ATOM 971 N TYR A 699 132.761 -1.384 -8.596 1.00 0.00 N ATOM 972 CA TYR A 699 132.655 -2.577 -9.429 1.00 0.00 C ATOM 973 C TYR A 699 132.043 -2.240 -10.785 1.00 0.00 C ATOM 974 O TYR A 699 132.335 -2.893 -11.786 1.00 0.00 O ATOM 975 CB TYR A 699 131.814 -3.644 -8.726 1.00 0.00 C ATOM 976 CG TYR A 699 131.643 -4.913 -9.531 1.00 0.00 C ATOM 977 CD1 TYR A 699 132.746 -5.605 -10.017 1.00 0.00 C ATOM 978 CD2 TYR A 699 130.378 -5.417 -9.809 1.00 0.00 C ATOM 979 CE1 TYR A 699 132.594 -6.764 -10.752 1.00 0.00 C ATOM 980 CE2 TYR A 699 130.219 -6.578 -10.544 1.00 0.00 C ATOM 981 CZ TYR A 699 131.330 -7.246 -11.013 1.00 0.00 C ATOM 982 OH TYR A 699 131.174 -8.401 -11.745 1.00 0.00 O ATOM 0 H TYR A 699 132.058 -1.320 -7.860 1.00 0.00 H new ATOM 0 HA TYR A 699 133.660 -2.967 -9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 699 132.279 -3.890 -7.772 1.00 0.00 H new ATOM 0 HB3 TYR A 699 130.830 -3.230 -8.504 1.00 0.00 H new ATOM 0 HD1 TYR A 699 133.739 -5.230 -9.816 1.00 0.00 H new ATOM 0 HD2 TYR A 699 129.506 -4.894 -9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 699 133.462 -7.290 -11.121 1.00 0.00 H new ATOM 0 HE2 TYR A 699 129.230 -6.959 -10.749 1.00 0.00 H new ATOM 0 HH TYR A 699 130.220 -8.603 -11.837 1.00 0.00 H new ATOM 992 N LEU A 700 131.194 -1.218 -10.810 1.00 0.00 N ATOM 993 CA LEU A 700 130.543 -0.798 -12.045 1.00 0.00 C ATOM 994 C LEU A 700 131.286 0.372 -12.682 1.00 0.00 C ATOM 995 O LEU A 700 130.672 1.296 -13.214 1.00 0.00 O ATOM 996 CB LEU A 700 129.089 -0.408 -11.772 1.00 0.00 C ATOM 997 CG LEU A 700 128.140 -1.580 -11.522 1.00 0.00 C ATOM 998 CD1 LEU A 700 126.968 -1.144 -10.658 1.00 0.00 C ATOM 999 CD2 LEU A 700 127.646 -2.154 -12.841 1.00 0.00 C ATOM 0 H LEU A 700 130.941 -0.666 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 700 130.562 -1.637 -12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 700 129.063 0.252 -10.905 1.00 0.00 H new ATOM 0 HB3 LEU A 700 128.717 0.166 -12.621 1.00 0.00 H new ATOM 0 HG LEU A 700 128.687 -2.358 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 700 126.304 -1.992 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 700 127.338 -0.779 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 700 126.420 -0.348 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 700 126.971 -2.988 -12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 700 127.116 -1.382 -13.398 1.00 0.00 H new ATOM 0 HD23 LEU A 700 128.496 -2.505 -13.426 1.00 0.00 H new ATOM 1011 N LYS A 701 132.614 0.326 -12.623 1.00 0.00 N ATOM 1012 CA LYS A 701 133.442 1.381 -13.193 1.00 0.00 C ATOM 1013 C LYS A 701 134.777 0.824 -13.678 1.00 0.00 C ATOM 1014 O LYS A 701 135.217 1.118 -14.788 1.00 0.00 O ATOM 1015 CB LYS A 701 133.678 2.487 -12.160 1.00 0.00 C ATOM 1016 CG LYS A 701 132.827 3.725 -12.391 1.00 0.00 C ATOM 1017 CD LYS A 701 133.680 4.984 -12.465 1.00 0.00 C ATOM 1018 CE LYS A 701 134.055 5.486 -11.079 1.00 0.00 C ATOM 1019 NZ LYS A 701 133.283 6.705 -10.704 1.00 0.00 N1+ ATOM 0 H LYS A 701 133.139 -0.432 -12.186 1.00 0.00 H new ATOM 0 HA LYS A 701 132.914 1.801 -14.049 1.00 0.00 H new ATOM 0 HB2 LYS A 701 133.470 2.094 -11.165 1.00 0.00 H new ATOM 0 HB3 LYS A 701 134.730 2.771 -12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 701 132.263 3.612 -13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 701 132.100 3.824 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 701 134.586 4.778 -13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 701 133.136 5.762 -13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 701 133.872 4.700 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 701 135.122 5.708 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 701 133.567 7.017 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 701 133.477 7.463 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 701 132.266 6.487 -10.708 1.00 0.00 H new ATOM 1033 N HIS A 702 135.418 0.019 -12.835 1.00 0.00 N ATOM 1034 CA HIS A 702 136.702 -0.580 -13.178 1.00 0.00 C ATOM 1035 C HIS A 702 136.518 -1.767 -14.117 1.00 0.00 C ATOM 1036 O HIS A 702 137.125 -1.825 -15.187 1.00 0.00 O ATOM 1037 CB HIS A 702 137.433 -1.026 -11.911 1.00 0.00 C ATOM 1038 CG HIS A 702 138.235 0.061 -11.266 1.00 0.00 C ATOM 1039 ND1 HIS A 702 139.603 0.001 -11.114 1.00 0.00 N ATOM 1040 CD2 HIS A 702 137.850 1.245 -10.729 1.00 0.00 C ATOM 1041 CE1 HIS A 702 140.027 1.100 -10.513 1.00 0.00 C ATOM 1042 NE2 HIS A 702 138.984 1.869 -10.270 1.00 0.00 N ATOM 0 H HIS A 702 135.069 -0.233 -11.910 1.00 0.00 H new ATOM 0 HA HIS A 702 137.300 0.174 -13.690 1.00 0.00 H new ATOM 0 HB2 HIS A 702 136.703 -1.401 -11.194 1.00 0.00 H new ATOM 0 HB3 HIS A 702 138.095 -1.857 -12.157 1.00 0.00 H new ATOM 0 HD2 HIS A 702 136.841 1.626 -10.673 1.00 0.00 H new ATOM 0 HE1 HIS A 702 141.053 1.329 -10.264 1.00 0.00 H new ATOM 0 HE2 HIS A 702 139.014 2.781 -9.814 1.00 0.00 H new ATOM 1051 N HIS A 703 135.678 -2.713 -13.711 1.00 0.00 N ATOM 1052 CA HIS A 703 135.413 -3.899 -14.517 1.00 0.00 C ATOM 1053 C HIS A 703 136.685 -4.719 -14.711 1.00 0.00 C ATOM 1054 O HIS A 703 137.440 -4.499 -15.658 1.00 0.00 O ATOM 1055 CB HIS A 703 134.836 -3.503 -15.877 1.00 0.00 C ATOM 1056 CG HIS A 703 133.575 -2.703 -15.780 1.00 0.00 C ATOM 1057 ND1 HIS A 703 133.197 -1.777 -16.729 1.00 0.00 N ATOM 1058 CD2 HIS A 703 132.601 -2.694 -14.840 1.00 0.00 C ATOM 1059 CE1 HIS A 703 132.046 -1.233 -16.376 1.00 0.00 C ATOM 1060 NE2 HIS A 703 131.664 -1.772 -15.234 1.00 0.00 N ATOM 0 H HIS A 703 135.169 -2.681 -12.828 1.00 0.00 H new ATOM 0 HA HIS A 703 134.683 -4.511 -13.987 1.00 0.00 H new ATOM 0 HB2 HIS A 703 135.581 -2.927 -16.425 1.00 0.00 H new ATOM 0 HB3 HIS A 703 134.641 -4.405 -16.457 1.00 0.00 H new ATOM 0 HD1 HIS A 703 133.724 -1.548 -17.572 1.00 0.00 H new ATOM 0 HD2 HIS A 703 132.568 -3.300 -13.946 1.00 0.00 H new ATOM 0 HE1 HIS A 703 131.509 -0.476 -16.928 1.00 0.00 H new ATOM 1069 N GLY A 704 136.917 -5.666 -13.808 1.00 0.00 N ATOM 1070 CA GLY A 704 138.098 -6.503 -13.896 1.00 0.00 C ATOM 1071 C GLY A 704 138.263 -7.405 -12.689 1.00 0.00 C ATOM 1072 O GLY A 704 137.970 -8.599 -12.750 1.00 0.00 O ATOM 0 H GLY A 704 136.307 -5.868 -13.016 1.00 0.00 H new ATOM 0 HA2 GLY A 704 138.040 -7.114 -14.797 1.00 0.00 H new ATOM 0 HA3 GLY A 704 138.980 -5.871 -13.996 1.00 0.00 H new ATOM 1076 N LYS A 705 138.734 -6.831 -11.586 1.00 0.00 N ATOM 1077 CA LYS A 705 138.939 -7.592 -10.358 1.00 0.00 C ATOM 1078 C LYS A 705 138.394 -6.833 -9.151 1.00 0.00 C ATOM 1079 O LYS A 705 138.412 -5.602 -9.119 1.00 0.00 O ATOM 1080 CB LYS A 705 140.425 -7.889 -10.159 1.00 0.00 C ATOM 1081 CG LYS A 705 140.704 -8.868 -9.031 1.00 0.00 C ATOM 1082 CD LYS A 705 142.040 -8.582 -8.362 1.00 0.00 C ATOM 1083 CE LYS A 705 143.169 -9.358 -9.021 1.00 0.00 C ATOM 1084 NZ LYS A 705 144.268 -9.659 -8.062 1.00 0.00 N1+ ATOM 0 H LYS A 705 138.980 -5.844 -11.517 1.00 0.00 H new ATOM 0 HA LYS A 705 138.397 -8.533 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 705 140.834 -8.290 -11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 705 140.950 -6.955 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 705 139.906 -8.809 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 705 140.702 -9.885 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 705 142.253 -7.514 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 705 141.983 -8.846 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 705 142.779 -10.290 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 705 143.565 -8.783 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 705 145.019 -10.189 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 705 144.658 -8.769 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 705 143.896 -10.229 -7.276 1.00 0.00 H new ATOM 1098 N LEU A 706 137.914 -7.575 -8.159 1.00 0.00 N ATOM 1099 CA LEU A 706 137.365 -6.975 -6.949 1.00 0.00 C ATOM 1100 C LEU A 706 138.081 -7.501 -5.709 1.00 0.00 C ATOM 1101 O LEU A 706 138.719 -8.552 -5.749 1.00 0.00 O ATOM 1102 CB LEU A 706 135.865 -7.261 -6.845 1.00 0.00 C ATOM 1103 CG LEU A 706 135.040 -6.163 -6.173 1.00 0.00 C ATOM 1104 CD1 LEU A 706 134.491 -5.197 -7.210 1.00 0.00 C ATOM 1105 CD2 LEU A 706 133.910 -6.770 -5.356 1.00 0.00 C ATOM 0 H LEU A 706 137.894 -8.595 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 706 137.518 -5.897 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 706 135.472 -7.426 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 706 135.726 -8.189 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 706 135.691 -5.607 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 706 133.907 -4.423 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 706 135.317 -4.736 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 706 133.855 -5.738 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 706 133.333 -5.974 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 706 133.260 -7.351 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 706 134.326 -7.421 -4.587 1.00 0.00 H new ATOM 1117 N LYS A 707 137.970 -6.763 -4.609 1.00 0.00 N ATOM 1118 CA LYS A 707 138.607 -7.155 -3.359 1.00 0.00 C ATOM 1119 C LYS A 707 140.121 -7.252 -3.526 1.00 0.00 C ATOM 1120 O LYS A 707 140.597 -8.310 -3.990 1.00 0.00 O ATOM 1121 CB LYS A 707 138.048 -8.495 -2.876 1.00 0.00 C ATOM 1122 CG LYS A 707 136.919 -8.355 -1.869 1.00 0.00 C ATOM 1123 CD LYS A 707 137.427 -8.484 -0.441 1.00 0.00 C ATOM 1124 CE LYS A 707 136.282 -8.624 0.548 1.00 0.00 C ATOM 1125 NZ LYS A 707 136.616 -9.564 1.653 1.00 0.00 N1+ ATOM 1126 OXT LYS A 707 140.816 -6.270 -3.193 1.00 0.00 O ATOM 0 H LYS A 707 137.445 -5.890 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 707 138.391 -6.389 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 707 137.689 -9.061 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 707 138.854 -9.075 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 707 136.433 -7.388 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 707 136.164 -9.118 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 707 138.083 -9.351 -0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 707 138.024 -7.609 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 707 136.040 -7.646 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 707 135.393 -8.978 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 135.810 -9.632 2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 136.823 -10.504 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 137.449 -9.213 2.167 1.00 0.00 H new TER 1140 LYS A 707