USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 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 687 SER OG : rot 65:sc= 1.26 USER MOD Single : A 689 LYS NZ :NH3+ 161:sc= -0.0786 (180deg=-0.605) USER MOD Single : A 699 SER OG : rot 77:sc= 0.738 USER MOD Single : A 701 MET CE :methyl 155:sc= -0.178 (180deg=-0.963) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 73:sc= 0.465 USER MOD Single : A 722 HIS : no HE2:sc=0.000426 X(o=0.00043,f=-0.13) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 22.765 8.634 -18.584 1.00 1.00 N ATOM 2 CA PRO A 685 21.538 8.118 -17.929 1.00 1.00 C ATOM 3 C PRO A 685 20.630 9.287 -17.551 1.00 1.00 C ATOM 4 O PRO A 685 20.945 10.065 -16.648 1.00 1.00 O ATOM 5 CB PRO A 685 21.955 7.347 -16.686 1.00 1.00 C ATOM 6 CG PRO A 685 23.353 7.797 -16.408 1.00 1.00 C ATOM 7 CD PRO A 685 23.947 8.306 -17.734 1.00 1.00 C ATOM 0 HA PRO A 685 20.989 7.461 -18.604 1.00 1.00 H new ATOM 0 HB2 PRO A 685 21.295 7.564 -15.846 1.00 1.00 H new ATOM 0 HB3 PRO A 685 21.912 6.271 -16.855 1.00 1.00 H new ATOM 0 HG2 PRO A 685 23.359 8.587 -15.657 1.00 1.00 H new ATOM 0 HG3 PRO A 685 23.949 6.975 -16.011 1.00 1.00 H new ATOM 0 HD2 PRO A 685 24.575 9.183 -17.575 1.00 1.00 H new ATOM 0 HD3 PRO A 685 24.573 7.547 -18.204 1.00 1.00 H new ATOM 17 N GLU A 686 19.508 9.405 -18.254 1.00 1.00 N ATOM 18 CA GLU A 686 18.561 10.486 -17.996 1.00 1.00 C ATOM 19 C GLU A 686 17.897 10.342 -16.626 1.00 1.00 C ATOM 20 O GLU A 686 17.771 11.320 -15.887 1.00 1.00 O ATOM 21 CB GLU A 686 17.468 10.490 -19.066 1.00 1.00 C ATOM 22 CG GLU A 686 18.058 10.885 -20.420 1.00 1.00 C ATOM 23 CD GLU A 686 16.975 10.813 -21.490 1.00 1.00 C ATOM 24 OE1 GLU A 686 15.845 10.513 -21.141 1.00 1.00 O ATOM 25 OE2 GLU A 686 17.291 11.060 -22.642 1.00 1.00 O ATOM 0 H GLU A 686 19.233 8.770 -19.003 1.00 1.00 H new ATOM 0 HA GLU A 686 19.123 11.420 -18.018 1.00 1.00 H new ATOM 0 HB2 GLU A 686 17.011 9.503 -19.134 1.00 1.00 H new ATOM 0 HB3 GLU A 686 16.678 11.188 -18.787 1.00 1.00 H new ATOM 0 HG2 GLU A 686 18.467 11.894 -20.369 1.00 1.00 H new ATOM 0 HG3 GLU A 686 18.882 10.220 -20.677 1.00 1.00 H new ATOM 32 N SER A 687 17.454 9.128 -16.300 1.00 1.00 N ATOM 33 CA SER A 687 16.784 8.895 -15.022 1.00 1.00 C ATOM 34 C SER A 687 16.471 7.412 -14.814 1.00 1.00 C ATOM 35 O SER A 687 15.350 6.970 -15.072 1.00 1.00 O ATOM 36 CB SER A 687 15.474 9.681 -14.981 1.00 1.00 C ATOM 37 OG SER A 687 15.708 10.960 -14.414 1.00 1.00 O ATOM 0 H SER A 687 17.545 8.303 -16.893 1.00 1.00 H new ATOM 0 HA SER A 687 17.456 9.224 -14.230 1.00 1.00 H new ATOM 0 HB2 SER A 687 15.069 9.786 -15.987 1.00 1.00 H new ATOM 0 HB3 SER A 687 14.732 9.141 -14.393 1.00 1.00 H new ATOM 0 HG SER A 687 16.303 11.473 -14.999 1.00 1.00 H new ATOM 43 N PRO A 688 17.416 6.643 -14.341 1.00 1.00 N ATOM 44 CA PRO A 688 17.203 5.188 -14.082 1.00 1.00 C ATOM 45 C PRO A 688 16.126 4.963 -13.019 1.00 1.00 C ATOM 46 O PRO A 688 15.976 5.768 -12.098 1.00 1.00 O ATOM 47 CB PRO A 688 18.570 4.680 -13.603 1.00 1.00 C ATOM 48 CG PRO A 688 19.557 5.747 -13.959 1.00 1.00 C ATOM 49 CD PRO A 688 18.783 7.061 -14.005 1.00 1.00 C ATOM 0 HA PRO A 688 16.853 4.660 -14.969 1.00 1.00 H new ATOM 0 HB2 PRO A 688 18.563 4.498 -12.528 1.00 1.00 H new ATOM 0 HB3 PRO A 688 18.826 3.736 -14.085 1.00 1.00 H new ATOM 0 HG2 PRO A 688 20.358 5.795 -13.221 1.00 1.00 H new ATOM 0 HG3 PRO A 688 20.023 5.538 -14.922 1.00 1.00 H new ATOM 0 HD2 PRO A 688 18.820 7.582 -13.048 1.00 1.00 H new ATOM 0 HD3 PRO A 688 19.190 7.741 -14.754 1.00 1.00 H new ATOM 57 N LYS A 689 15.372 3.877 -13.160 1.00 1.00 N ATOM 58 CA LYS A 689 14.301 3.566 -12.216 1.00 1.00 C ATOM 59 C LYS A 689 14.849 3.375 -10.804 1.00 1.00 C ATOM 60 O LYS A 689 15.870 2.715 -10.606 1.00 1.00 O ATOM 61 CB LYS A 689 13.570 2.296 -12.660 1.00 1.00 C ATOM 62 CG LYS A 689 12.273 2.140 -11.861 1.00 1.00 C ATOM 63 CD LYS A 689 11.477 0.953 -12.409 1.00 1.00 C ATOM 64 CE LYS A 689 10.194 0.770 -11.595 1.00 1.00 C ATOM 65 NZ LYS A 689 9.370 2.010 -11.672 1.00 1.00 N ATOM 0 H LYS A 689 15.481 3.200 -13.915 1.00 1.00 H new ATOM 0 HA LYS A 689 13.606 4.405 -12.203 1.00 1.00 H new ATOM 0 HB2 LYS A 689 13.348 2.347 -13.726 1.00 1.00 H new ATOM 0 HB3 LYS A 689 14.209 1.426 -12.509 1.00 1.00 H new ATOM 0 HG2 LYS A 689 12.499 1.984 -10.806 1.00 1.00 H new ATOM 0 HG3 LYS A 689 11.680 3.052 -11.928 1.00 1.00 H new ATOM 0 HD2 LYS A 689 11.232 1.120 -13.458 1.00 1.00 H new ATOM 0 HD3 LYS A 689 12.080 0.046 -12.363 1.00 1.00 H new ATOM 0 HE2 LYS A 689 9.627 -0.079 -11.977 1.00 1.00 H new ATOM 0 HE3 LYS A 689 10.439 0.548 -10.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 8.388 1.791 -11.408 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 9.754 2.723 -11.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 9.393 2.382 -12.643 1.00 1.00 H new ATOM 79 N GLY A 690 14.162 3.961 -9.827 1.00 1.00 N ATOM 80 CA GLY A 690 14.585 3.854 -8.436 1.00 1.00 C ATOM 81 C GLY A 690 13.889 4.904 -7.576 1.00 1.00 C ATOM 82 O GLY A 690 14.521 5.842 -7.093 1.00 1.00 O ATOM 0 H GLY A 690 13.316 4.511 -9.972 1.00 1.00 H new ATOM 0 HA2 GLY A 690 14.357 2.858 -8.057 1.00 1.00 H new ATOM 0 HA3 GLY A 690 15.666 3.981 -8.369 1.00 1.00 H new ATOM 86 N PRO A 691 12.603 4.762 -7.381 1.00 1.00 N ATOM 87 CA PRO A 691 11.805 5.720 -6.562 1.00 1.00 C ATOM 88 C PRO A 691 12.429 5.935 -5.189 1.00 1.00 C ATOM 89 O PRO A 691 12.507 7.060 -4.697 1.00 1.00 O ATOM 90 CB PRO A 691 10.435 5.048 -6.430 1.00 1.00 C ATOM 91 CG PRO A 691 10.346 4.065 -7.553 1.00 1.00 C ATOM 92 CD PRO A 691 11.778 3.672 -7.922 1.00 1.00 C ATOM 0 HA PRO A 691 11.752 6.707 -7.022 1.00 1.00 H new ATOM 0 HB2 PRO A 691 10.337 4.549 -5.466 1.00 1.00 H new ATOM 0 HB3 PRO A 691 9.633 5.783 -6.491 1.00 1.00 H new ATOM 0 HG2 PRO A 691 9.771 3.189 -7.253 1.00 1.00 H new ATOM 0 HG3 PRO A 691 9.834 4.504 -8.409 1.00 1.00 H new ATOM 0 HD2 PRO A 691 12.052 2.711 -7.486 1.00 1.00 H new ATOM 0 HD3 PRO A 691 11.900 3.579 -9.001 1.00 1.00 H new ATOM 100 N ASP A 692 12.872 4.842 -4.577 1.00 1.00 N ATOM 101 CA ASP A 692 13.488 4.917 -3.260 1.00 1.00 C ATOM 102 C ASP A 692 14.995 5.113 -3.392 1.00 1.00 C ATOM 103 O ASP A 692 15.740 4.178 -3.688 1.00 1.00 O ATOM 104 CB ASP A 692 13.193 3.638 -2.474 1.00 1.00 C ATOM 105 CG ASP A 692 11.718 3.599 -2.087 1.00 1.00 C ATOM 106 OD1 ASP A 692 11.061 4.618 -2.234 1.00 1.00 O ATOM 107 OD2 ASP A 692 11.268 2.555 -1.649 1.00 1.00 O ATOM 0 H ASP A 692 12.816 3.902 -4.969 1.00 1.00 H new ATOM 0 HA ASP A 692 13.070 5.769 -2.724 1.00 1.00 H new ATOM 0 HB2 ASP A 692 13.444 2.764 -3.076 1.00 1.00 H new ATOM 0 HB3 ASP A 692 13.814 3.598 -1.579 1.00 1.00 H new ATOM 112 N ILE A 693 15.425 6.349 -3.152 1.00 1.00 N ATOM 113 CA ILE A 693 16.842 6.686 -3.230 1.00 1.00 C ATOM 114 C ILE A 693 17.604 6.062 -2.059 1.00 1.00 C ATOM 115 O ILE A 693 18.776 5.710 -2.188 1.00 1.00 O ATOM 116 CB ILE A 693 17.033 8.206 -3.256 1.00 1.00 C ATOM 117 CG1 ILE A 693 16.390 8.840 -2.016 1.00 1.00 C ATOM 118 CG2 ILE A 693 16.377 8.777 -4.518 1.00 1.00 C ATOM 119 CD1 ILE A 693 16.757 10.327 -1.942 1.00 1.00 C ATOM 0 H ILE A 693 14.816 7.129 -2.903 1.00 1.00 H new ATOM 0 HA ILE A 693 17.245 6.278 -4.157 1.00 1.00 H new ATOM 0 HB ILE A 693 18.099 8.432 -3.258 1.00 1.00 H new ATOM 0 HG12 ILE A 693 15.307 8.725 -2.058 1.00 1.00 H new ATOM 0 HG13 ILE A 693 16.730 8.327 -1.116 1.00 1.00 H new ATOM 0 HG21 ILE A 693 16.511 9.859 -4.540 1.00 1.00 H new ATOM 0 HG22 ILE A 693 16.841 8.336 -5.400 1.00 1.00 H new ATOM 0 HG23 ILE A 693 15.312 8.543 -4.512 1.00 1.00 H new ATOM 0 HD11 ILE A 693 16.297 10.772 -1.059 1.00 1.00 H new ATOM 0 HD12 ILE A 693 17.840 10.432 -1.879 1.00 1.00 H new ATOM 0 HD13 ILE A 693 16.395 10.836 -2.835 1.00 1.00 H new ATOM 131 N LEU A 694 16.931 5.935 -0.917 1.00 1.00 N ATOM 132 CA LEU A 694 17.551 5.357 0.274 1.00 1.00 C ATOM 133 C LEU A 694 17.921 3.890 0.064 1.00 1.00 C ATOM 134 O LEU A 694 18.989 3.447 0.485 1.00 1.00 O ATOM 135 CB LEU A 694 16.601 5.479 1.465 1.00 1.00 C ATOM 136 CG LEU A 694 16.660 6.910 2.021 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.492 7.129 2.980 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.981 7.146 2.774 1.00 1.00 C ATOM 0 H LEU A 694 15.961 6.223 -0.791 1.00 1.00 H new ATOM 0 HA LEU A 694 18.469 5.911 0.472 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.583 5.238 1.158 1.00 1.00 H new ATOM 0 HB3 LEU A 694 16.878 4.764 2.240 1.00 1.00 H new ATOM 0 HG LEU A 694 16.599 7.610 1.188 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.532 8.144 3.376 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.552 6.984 2.448 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.557 6.416 3.802 1.00 1.00 H new ATOM 0 HD21 LEU A 694 18.003 8.165 3.160 1.00 1.00 H new ATOM 0 HD22 LEU A 694 18.058 6.442 3.603 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.819 6.998 2.093 1.00 1.00 H new ATOM 150 N VAL A 695 17.035 3.135 -0.580 1.00 1.00 N ATOM 151 CA VAL A 695 17.275 1.717 -0.825 1.00 1.00 C ATOM 152 C VAL A 695 18.490 1.519 -1.723 1.00 1.00 C ATOM 153 O VAL A 695 19.305 0.627 -1.495 1.00 1.00 O ATOM 154 CB VAL A 695 16.049 1.080 -1.482 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.361 -0.372 -1.849 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.871 1.112 -0.505 1.00 1.00 C ATOM 0 H VAL A 695 16.146 3.481 -0.941 1.00 1.00 H new ATOM 0 HA VAL A 695 17.465 1.237 0.135 1.00 1.00 H new ATOM 0 HB VAL A 695 15.792 1.637 -2.383 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.487 -0.825 -2.317 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.200 -0.399 -2.544 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.619 -0.928 -0.947 1.00 1.00 H new ATOM 0 HG21 VAL A 695 13.998 0.658 -0.973 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.130 0.556 0.396 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.645 2.145 -0.241 1.00 1.00 H new ATOM 166 N VAL A 696 18.603 2.357 -2.746 1.00 1.00 N ATOM 167 CA VAL A 696 19.727 2.251 -3.665 1.00 1.00 C ATOM 168 C VAL A 696 21.044 2.498 -2.932 1.00 1.00 C ATOM 169 O VAL A 696 22.002 1.740 -3.074 1.00 1.00 O ATOM 170 CB VAL A 696 19.574 3.262 -4.801 1.00 1.00 C ATOM 171 CG1 VAL A 696 20.828 3.232 -5.677 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.348 2.901 -5.644 1.00 1.00 C ATOM 0 H VAL A 696 17.942 3.105 -2.958 1.00 1.00 H new ATOM 0 HA VAL A 696 19.738 1.243 -4.079 1.00 1.00 H new ATOM 0 HB VAL A 696 19.444 4.262 -4.387 1.00 1.00 H new ATOM 0 HG11 VAL A 696 20.722 3.952 -6.488 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.699 3.490 -5.074 1.00 1.00 H new ATOM 0 HG13 VAL A 696 20.957 2.233 -6.093 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.239 3.622 -6.454 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.475 1.902 -6.062 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.457 2.922 -5.017 1.00 1.00 H new ATOM 182 N LEU A 697 21.079 3.571 -2.147 1.00 1.00 N ATOM 183 CA LEU A 697 22.289 3.905 -1.401 1.00 1.00 C ATOM 184 C LEU A 697 22.616 2.807 -0.391 1.00 1.00 C ATOM 185 O LEU A 697 23.778 2.447 -0.206 1.00 1.00 O ATOM 186 CB LEU A 697 22.117 5.249 -0.680 1.00 1.00 C ATOM 187 CG LEU A 697 22.070 6.387 -1.712 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.732 7.708 -1.015 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.427 6.524 -2.420 1.00 1.00 C ATOM 0 H LEU A 697 20.299 4.214 -2.012 1.00 1.00 H new ATOM 0 HA LEU A 697 23.116 3.987 -2.107 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.200 5.242 -0.090 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.942 5.408 0.015 1.00 1.00 H new ATOM 0 HG LEU A 697 21.302 6.153 -2.450 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.700 8.510 -1.752 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.761 7.624 -0.528 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.494 7.931 -0.268 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.378 7.334 -3.148 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.201 6.744 -1.684 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.667 5.591 -2.931 1.00 1.00 H new ATOM 201 N LEU A 698 21.583 2.287 0.261 1.00 1.00 N ATOM 202 CA LEU A 698 21.762 1.234 1.252 1.00 1.00 C ATOM 203 C LEU A 698 22.348 -0.022 0.609 1.00 1.00 C ATOM 204 O LEU A 698 23.196 -0.696 1.193 1.00 1.00 O ATOM 205 CB LEU A 698 20.425 0.909 1.919 1.00 1.00 C ATOM 206 CG LEU A 698 20.104 1.988 2.961 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.648 1.851 3.410 1.00 1.00 C ATOM 208 CD2 LEU A 698 21.026 1.841 4.183 1.00 1.00 C ATOM 0 H LEU A 698 20.615 2.577 0.122 1.00 1.00 H new ATOM 0 HA LEU A 698 22.461 1.589 2.009 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.634 0.863 1.171 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.471 -0.070 2.395 1.00 1.00 H new ATOM 0 HG LEU A 698 20.262 2.968 2.510 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.422 2.618 4.150 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.989 1.971 2.550 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.494 0.866 3.850 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.787 2.613 4.914 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.881 0.859 4.632 1.00 1.00 H new ATOM 0 HD23 LEU A 698 22.065 1.947 3.870 1.00 1.00 H new ATOM 220 N SER A 699 21.894 -0.314 -0.610 1.00 1.00 N ATOM 221 CA SER A 699 22.373 -1.474 -1.356 1.00 1.00 C ATOM 222 C SER A 699 23.846 -1.309 -1.718 1.00 1.00 C ATOM 223 O SER A 699 24.625 -2.263 -1.656 1.00 1.00 O ATOM 224 CB SER A 699 21.547 -1.643 -2.632 1.00 1.00 C ATOM 225 OG SER A 699 20.214 -1.990 -2.281 1.00 1.00 O ATOM 0 H SER A 699 21.193 0.240 -1.102 1.00 1.00 H new ATOM 0 HA SER A 699 22.264 -2.359 -0.729 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.555 -0.719 -3.210 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.983 -2.418 -3.263 1.00 1.00 H new ATOM 0 HG SER A 699 19.737 -1.190 -1.977 1.00 1.00 H new ATOM 231 N VAL A 700 24.216 -0.092 -2.104 1.00 1.00 N ATOM 232 CA VAL A 700 25.598 0.188 -2.485 1.00 1.00 C ATOM 233 C VAL A 700 26.548 -0.036 -1.311 1.00 1.00 C ATOM 234 O VAL A 700 27.620 -0.623 -1.469 1.00 1.00 O ATOM 235 CB VAL A 700 25.725 1.635 -2.970 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.206 2.014 -3.060 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.078 1.766 -4.352 1.00 1.00 C ATOM 0 H VAL A 700 23.587 0.709 -2.161 1.00 1.00 H new ATOM 0 HA VAL A 700 25.870 -0.496 -3.289 1.00 1.00 H new ATOM 0 HB VAL A 700 25.222 2.301 -2.269 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.298 3.044 -3.405 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.666 1.919 -2.077 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.710 1.350 -3.762 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.167 2.795 -4.699 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.581 1.101 -5.054 1.00 1.00 H new ATOM 0 HG23 VAL A 700 24.024 1.495 -4.288 1.00 1.00 H new ATOM 247 N MET A 701 26.160 0.468 -0.143 1.00 1.00 N ATOM 248 CA MET A 701 26.994 0.358 1.052 1.00 1.00 C ATOM 249 C MET A 701 27.232 -1.091 1.460 1.00 1.00 C ATOM 250 O MET A 701 28.347 -1.454 1.841 1.00 1.00 O ATOM 251 CB MET A 701 26.329 1.093 2.216 1.00 1.00 C ATOM 252 CG MET A 701 26.516 2.601 2.045 1.00 1.00 C ATOM 253 SD MET A 701 25.622 3.476 3.357 1.00 1.00 S ATOM 254 CE MET A 701 26.617 2.910 4.761 1.00 1.00 C ATOM 0 H MET A 701 25.276 0.956 0.002 1.00 1.00 H new ATOM 0 HA MET A 701 27.958 0.806 0.812 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.267 0.850 2.253 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.764 0.767 3.161 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.576 2.853 2.083 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.148 2.915 1.068 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.544 3.633 5.573 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.248 1.943 5.102 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.658 2.813 4.454 1.00 1.00 H new ATOM 264 N GLY A 702 26.192 -1.913 1.400 1.00 1.00 N ATOM 265 CA GLY A 702 26.329 -3.309 1.791 1.00 1.00 C ATOM 266 C GLY A 702 27.254 -4.065 0.848 1.00 1.00 C ATOM 267 O GLY A 702 28.090 -4.854 1.286 1.00 1.00 O ATOM 0 H GLY A 702 25.259 -1.643 1.089 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.718 -3.367 2.808 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.348 -3.784 1.798 1.00 1.00 H new ATOM 271 N ALA A 703 27.081 -3.842 -0.445 1.00 1.00 N ATOM 272 CA ALA A 703 27.887 -4.537 -1.439 1.00 1.00 C ATOM 273 C ALA A 703 29.380 -4.283 -1.248 1.00 1.00 C ATOM 274 O ALA A 703 30.192 -5.205 -1.327 1.00 1.00 O ATOM 275 CB ALA A 703 27.476 -4.086 -2.841 1.00 1.00 C ATOM 0 H ALA A 703 26.396 -3.191 -0.830 1.00 1.00 H new ATOM 0 HA ALA A 703 27.710 -5.605 -1.315 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.081 -4.608 -3.583 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.423 -4.317 -3.004 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.631 -3.011 -2.937 1.00 1.00 H new ATOM 281 N ILE A 704 29.727 -3.022 -1.004 1.00 1.00 N ATOM 282 CA ILE A 704 31.124 -2.645 -0.812 1.00 1.00 C ATOM 283 C ILE A 704 31.704 -3.292 0.441 1.00 1.00 C ATOM 284 O ILE A 704 32.824 -3.803 0.428 1.00 1.00 O ATOM 285 CB ILE A 704 31.230 -1.126 -0.688 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.859 -0.487 -2.027 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.665 -0.742 -0.322 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.679 1.021 -1.847 1.00 1.00 C ATOM 0 H ILE A 704 29.065 -2.249 -0.935 1.00 1.00 H new ATOM 0 HA ILE A 704 31.691 -2.994 -1.675 1.00 1.00 H new ATOM 0 HB ILE A 704 30.552 -0.773 0.089 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.638 -0.685 -2.763 1.00 1.00 H new ATOM 0 HG13 ILE A 704 29.939 -0.930 -2.410 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.740 0.342 -0.234 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.934 -1.203 0.628 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.345 -1.091 -1.100 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.415 1.473 -2.803 1.00 1.00 H new ATOM 0 HD12 ILE A 704 29.884 1.209 -1.125 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.609 1.458 -1.484 1.00 1.00 H new ATOM 300 N LEU A 705 30.939 -3.253 1.526 1.00 1.00 N ATOM 301 CA LEU A 705 31.389 -3.820 2.794 1.00 1.00 C ATOM 302 C LEU A 705 31.581 -5.328 2.701 1.00 1.00 C ATOM 303 O LEU A 705 32.545 -5.868 3.245 1.00 1.00 O ATOM 304 CB LEU A 705 30.379 -3.490 3.899 1.00 1.00 C ATOM 305 CG LEU A 705 30.423 -1.986 4.201 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.286 -1.620 5.157 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.765 -1.610 4.843 1.00 1.00 C ATOM 0 H LEU A 705 30.008 -2.837 1.555 1.00 1.00 H new ATOM 0 HA LEU A 705 32.355 -3.376 3.034 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.376 -3.780 3.587 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.610 -4.059 4.799 1.00 1.00 H new ATOM 0 HG LEU A 705 30.309 -1.438 3.266 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.319 -0.552 5.370 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.330 -1.869 4.697 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.398 -2.179 6.086 1.00 1.00 H new ATOM 0 HD21 LEU A 705 31.782 -0.540 5.051 1.00 1.00 H new ATOM 0 HD22 LEU A 705 31.891 -2.163 5.774 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.577 -1.859 4.160 1.00 1.00 H new ATOM 319 N LEU A 706 30.664 -6.016 2.033 1.00 1.00 N ATOM 320 CA LEU A 706 30.756 -7.467 1.912 1.00 1.00 C ATOM 321 C LEU A 706 31.994 -7.905 1.129 1.00 1.00 C ATOM 322 O LEU A 706 32.688 -8.849 1.510 1.00 1.00 O ATOM 323 CB LEU A 706 29.500 -8.004 1.224 1.00 1.00 C ATOM 324 CG LEU A 706 28.291 -7.845 2.157 1.00 1.00 C ATOM 325 CD1 LEU A 706 27.008 -8.169 1.389 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.414 -8.789 3.362 1.00 1.00 C ATOM 0 H LEU A 706 29.856 -5.599 1.571 1.00 1.00 H new ATOM 0 HA LEU A 706 30.841 -7.876 2.919 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.326 -7.466 0.292 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.636 -9.054 0.965 1.00 1.00 H new ATOM 0 HG LEU A 706 28.259 -6.816 2.516 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.149 -8.056 2.051 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.907 -7.487 0.545 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.052 -9.195 1.023 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.549 -8.663 4.013 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.458 -9.821 3.013 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.322 -8.554 3.917 1.00 1.00 H new ATOM 338 N ILE A 707 32.271 -7.194 0.038 1.00 1.00 N ATOM 339 CA ILE A 707 33.437 -7.501 -0.786 1.00 1.00 C ATOM 340 C ILE A 707 34.715 -7.281 0.016 1.00 1.00 C ATOM 341 O ILE A 707 35.644 -8.085 -0.038 1.00 1.00 O ATOM 342 CB ILE A 707 33.439 -6.619 -2.039 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.270 -7.029 -2.937 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.753 -6.804 -2.809 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.055 -5.972 -4.023 1.00 1.00 C ATOM 0 H ILE A 707 31.710 -6.409 -0.293 1.00 1.00 H new ATOM 0 HA ILE A 707 33.391 -8.546 -1.092 1.00 1.00 H new ATOM 0 HB ILE A 707 33.340 -5.574 -1.745 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.473 -7.997 -3.394 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.364 -7.141 -2.342 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.746 -6.173 -3.698 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.591 -6.523 -2.171 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.857 -7.848 -3.105 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.222 -6.269 -4.660 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.832 -5.012 -3.557 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.958 -5.881 -4.626 1.00 1.00 H new ATOM 357 N GLY A 708 34.747 -6.178 0.759 1.00 1.00 N ATOM 358 CA GLY A 708 35.913 -5.857 1.573 1.00 1.00 C ATOM 359 C GLY A 708 36.198 -6.987 2.554 1.00 1.00 C ATOM 360 O GLY A 708 37.351 -7.370 2.759 1.00 1.00 O ATOM 0 H GLY A 708 33.988 -5.499 0.814 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.780 -5.695 0.932 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.741 -4.928 2.117 1.00 1.00 H new ATOM 364 N LEU A 709 35.139 -7.524 3.150 1.00 1.00 N ATOM 365 CA LEU A 709 35.297 -8.620 4.100 1.00 1.00 C ATOM 366 C LEU A 709 35.882 -9.839 3.393 1.00 1.00 C ATOM 367 O LEU A 709 36.784 -10.496 3.914 1.00 1.00 O ATOM 368 CB LEU A 709 33.947 -8.977 4.730 1.00 1.00 C ATOM 369 CG LEU A 709 33.493 -7.841 5.655 1.00 1.00 C ATOM 370 CD1 LEU A 709 32.060 -8.105 6.118 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.411 -7.750 6.883 1.00 1.00 C ATOM 0 H LEU A 709 34.176 -7.225 2.996 1.00 1.00 H new ATOM 0 HA LEU A 709 35.978 -8.304 4.890 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.204 -9.144 3.951 1.00 1.00 H new ATOM 0 HB3 LEU A 709 34.032 -9.906 5.293 1.00 1.00 H new ATOM 0 HG LEU A 709 33.541 -6.901 5.105 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.736 -7.298 6.776 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.401 -8.154 5.251 1.00 1.00 H new ATOM 0 HD13 LEU A 709 32.020 -9.051 6.658 1.00 1.00 H new ATOM 0 HD21 LEU A 709 34.075 -6.939 7.529 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.377 -8.690 7.433 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.434 -7.556 6.559 1.00 1.00 H new ATOM 383 N ALA A 710 35.373 -10.131 2.200 1.00 1.00 N ATOM 384 CA ALA A 710 35.867 -11.269 1.430 1.00 1.00 C ATOM 385 C ALA A 710 37.337 -11.061 1.084 1.00 1.00 C ATOM 386 O ALA A 710 38.131 -12.003 1.109 1.00 1.00 O ATOM 387 CB ALA A 710 35.057 -11.419 0.142 1.00 1.00 C ATOM 0 H ALA A 710 34.627 -9.602 1.749 1.00 1.00 H new ATOM 0 HA ALA A 710 35.761 -12.173 2.029 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.432 -12.270 -0.427 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.008 -11.581 0.389 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.153 -10.513 -0.456 1.00 1.00 H new ATOM 393 N ALA A 711 37.690 -9.821 0.764 1.00 1.00 N ATOM 394 CA ALA A 711 39.069 -9.506 0.417 1.00 1.00 C ATOM 395 C ALA A 711 39.987 -9.775 1.606 1.00 1.00 C ATOM 396 O ALA A 711 41.058 -10.366 1.458 1.00 1.00 O ATOM 397 CB ALA A 711 39.180 -8.036 0.003 1.00 1.00 C ATOM 0 H ALA A 711 37.049 -9.028 0.738 1.00 1.00 H new ATOM 0 HA ALA A 711 39.373 -10.139 -0.416 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.214 -7.808 -0.255 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.541 -7.852 -0.861 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.864 -7.400 0.830 1.00 1.00 H new ATOM 403 N LEU A 712 39.561 -9.328 2.783 1.00 1.00 N ATOM 404 CA LEU A 712 40.342 -9.506 4.001 1.00 1.00 C ATOM 405 C LEU A 712 40.524 -10.982 4.340 1.00 1.00 C ATOM 406 O LEU A 712 41.592 -11.397 4.793 1.00 1.00 O ATOM 407 CB LEU A 712 39.644 -8.807 5.174 1.00 1.00 C ATOM 408 CG LEU A 712 39.706 -7.284 4.992 1.00 1.00 C ATOM 409 CD1 LEU A 712 38.870 -6.602 6.077 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.156 -6.794 5.097 1.00 1.00 C ATOM 0 H LEU A 712 38.676 -8.838 2.919 1.00 1.00 H new ATOM 0 HA LEU A 712 41.325 -9.067 3.830 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.605 -9.132 5.235 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.122 -9.089 6.112 1.00 1.00 H new ATOM 0 HG LEU A 712 39.312 -7.034 4.007 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.916 -5.521 5.946 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.834 -6.933 6.001 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.264 -6.865 7.059 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.185 -5.712 4.966 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.557 -7.052 6.077 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.758 -7.269 4.322 1.00 1.00 H new ATOM 422 N LEU A 713 39.465 -11.762 4.156 1.00 1.00 N ATOM 423 CA LEU A 713 39.503 -13.181 4.484 1.00 1.00 C ATOM 424 C LEU A 713 40.521 -13.959 3.651 1.00 1.00 C ATOM 425 O LEU A 713 41.278 -14.770 4.182 1.00 1.00 O ATOM 426 CB LEU A 713 38.109 -13.785 4.293 1.00 1.00 C ATOM 427 CG LEU A 713 37.180 -13.287 5.409 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.735 -13.663 5.075 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.570 -13.924 6.752 1.00 1.00 C ATOM 0 H LEU A 713 38.573 -11.437 3.783 1.00 1.00 H new ATOM 0 HA LEU A 713 39.817 -13.263 5.524 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.709 -13.503 3.319 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.167 -14.873 4.311 1.00 1.00 H new ATOM 0 HG LEU A 713 37.274 -12.204 5.487 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.075 -13.310 5.867 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.448 -13.201 4.130 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.651 -14.746 4.989 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.903 -13.562 7.534 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.487 -15.008 6.678 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.597 -13.654 6.998 1.00 1.00 H new ATOM 441 N ILE A 714 40.564 -13.686 2.350 1.00 1.00 N ATOM 442 CA ILE A 714 41.525 -14.356 1.481 1.00 1.00 C ATOM 443 C ILE A 714 42.939 -13.973 1.901 1.00 1.00 C ATOM 444 O ILE A 714 43.835 -14.815 1.967 1.00 1.00 O ATOM 445 CB ILE A 714 41.297 -13.950 0.025 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.964 -14.524 -0.460 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.434 -14.502 -0.835 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.595 -13.892 -1.803 1.00 1.00 C ATOM 0 H ILE A 714 39.955 -13.016 1.880 1.00 1.00 H new ATOM 0 HA ILE A 714 41.393 -15.434 1.571 1.00 1.00 H new ATOM 0 HB ILE A 714 41.273 -12.863 -0.054 1.00 1.00 H new ATOM 0 HG12 ILE A 714 40.038 -15.607 -0.564 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.182 -14.327 0.274 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.276 -14.215 -1.875 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.384 -14.096 -0.487 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.454 -15.589 -0.758 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.646 -14.301 -2.149 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.504 -12.812 -1.684 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.373 -14.112 -2.535 1.00 1.00 H new ATOM 460 N TRP A 715 43.120 -12.692 2.187 1.00 1.00 N ATOM 461 CA TRP A 715 44.437 -12.229 2.606 1.00 1.00 C ATOM 462 C TRP A 715 44.910 -13.084 3.783 1.00 1.00 C ATOM 463 O TRP A 715 46.016 -13.626 3.777 1.00 1.00 O ATOM 464 CB TRP A 715 44.335 -10.755 3.024 1.00 1.00 C ATOM 465 CG TRP A 715 45.660 -10.208 3.474 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.869 -10.812 3.333 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.919 -8.939 4.143 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.842 -9.992 3.876 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.307 -8.829 4.387 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.088 -7.881 4.559 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.853 -7.715 5.022 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.636 -6.756 5.198 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.016 -6.674 5.427 1.00 1.00 C ATOM 0 H TRP A 715 42.398 -11.973 2.140 1.00 1.00 H new ATOM 0 HA TRP A 715 45.153 -12.319 1.789 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.964 -10.165 2.186 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.608 -10.656 3.830 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.042 -11.774 2.873 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.836 -10.221 3.896 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.023 -7.935 4.386 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.917 -7.658 5.200 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 44.990 -5.950 5.514 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.432 -5.806 5.917 1.00 1.00 H new ATOM 484 N LYS A 716 44.042 -13.211 4.782 1.00 1.00 N ATOM 485 CA LYS A 716 44.342 -14.009 5.970 1.00 1.00 C ATOM 486 C LYS A 716 44.588 -15.466 5.582 1.00 1.00 C ATOM 487 O LYS A 716 45.478 -16.121 6.126 1.00 1.00 O ATOM 488 CB LYS A 716 43.146 -13.936 6.935 1.00 1.00 C ATOM 489 CG LYS A 716 43.387 -14.669 8.279 1.00 1.00 C ATOM 490 CD LYS A 716 44.200 -13.855 9.322 1.00 1.00 C ATOM 491 CE LYS A 716 45.688 -13.719 8.986 1.00 1.00 C ATOM 492 NZ LYS A 716 46.411 -13.284 10.216 1.00 1.00 N ATOM 0 H LYS A 716 43.122 -12.771 4.794 1.00 1.00 H new ATOM 0 HA LYS A 716 45.238 -13.616 6.449 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.917 -12.890 7.137 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.271 -14.366 6.448 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.422 -14.930 8.713 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.910 -15.604 8.079 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.765 -12.859 9.409 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.101 -14.332 10.297 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.085 -14.670 8.629 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.831 -12.993 8.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.425 -13.186 10.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.034 -12.369 10.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.279 -13.993 10.965 1.00 1.00 H new ATOM 506 N LEU A 717 43.789 -15.970 4.645 1.00 1.00 N ATOM 507 CA LEU A 717 43.924 -17.354 4.204 1.00 1.00 C ATOM 508 C LEU A 717 45.317 -17.572 3.624 1.00 1.00 C ATOM 509 O LEU A 717 45.941 -18.603 3.881 1.00 1.00 O ATOM 510 CB LEU A 717 42.852 -17.669 3.150 1.00 1.00 C ATOM 511 CG LEU A 717 42.912 -19.151 2.759 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.619 -20.024 3.983 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.864 -19.431 1.679 1.00 1.00 C ATOM 0 H LEU A 717 43.048 -15.446 4.180 1.00 1.00 H new ATOM 0 HA LEU A 717 43.787 -18.022 5.054 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.864 -17.429 3.543 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.005 -17.046 2.268 1.00 1.00 H new ATOM 0 HG LEU A 717 43.907 -19.383 2.380 1.00 1.00 H new ATOM 0 HD11 LEU A 717 42.663 -21.075 3.699 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.360 -19.826 4.757 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.625 -19.793 4.365 1.00 1.00 H new ATOM 0 HD21 LEU A 717 41.903 -20.483 1.398 1.00 1.00 H new ATOM 0 HD22 LEU A 717 40.872 -19.195 2.065 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.069 -18.814 0.804 1.00 1.00 H new ATOM 525 N LEU A 718 45.800 -16.631 2.826 1.00 1.00 N ATOM 526 CA LEU A 718 47.113 -16.797 2.215 1.00 1.00 C ATOM 527 C LEU A 718 48.204 -16.886 3.278 1.00 1.00 C ATOM 528 O LEU A 718 49.057 -17.771 3.238 1.00 1.00 O ATOM 529 CB LEU A 718 47.401 -15.620 1.277 1.00 1.00 C ATOM 530 CG LEU A 718 46.438 -15.668 0.080 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.597 -14.407 -0.770 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.735 -16.894 -0.792 1.00 1.00 C ATOM 0 H LEU A 718 45.317 -15.764 2.590 1.00 1.00 H new ATOM 0 HA LEU A 718 47.110 -17.727 1.646 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.285 -14.678 1.813 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.433 -15.663 0.929 1.00 1.00 H new ATOM 0 HG LEU A 718 45.419 -15.730 0.461 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.911 -14.450 -1.616 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.372 -13.529 -0.164 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.621 -14.342 -1.137 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.046 -16.916 -1.636 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.759 -16.838 -1.161 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.612 -17.800 -0.199 1.00 1.00 H new ATOM 544 N ILE A 719 48.177 -15.943 4.214 1.00 1.00 N ATOM 545 CA ILE A 719 49.167 -15.871 5.284 1.00 1.00 C ATOM 546 C ILE A 719 49.070 -17.030 6.276 1.00 1.00 C ATOM 547 O ILE A 719 50.094 -17.593 6.662 1.00 1.00 O ATOM 548 CB ILE A 719 48.995 -14.544 6.028 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.404 -13.395 5.099 1.00 1.00 C ATOM 550 CG2 ILE A 719 49.867 -14.528 7.287 1.00 1.00 C ATOM 551 CD1 ILE A 719 48.981 -12.057 5.711 1.00 1.00 C ATOM 0 H ILE A 719 47.470 -15.209 4.253 1.00 1.00 H new ATOM 0 HA ILE A 719 50.151 -15.939 4.821 1.00 1.00 H new ATOM 0 HB ILE A 719 47.953 -14.427 6.325 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.483 -13.409 4.942 1.00 1.00 H new ATOM 0 HG13 ILE A 719 48.938 -13.522 4.122 1.00 1.00 H new ATOM 0 HG21 ILE A 719 49.737 -13.579 7.808 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.572 -15.346 7.944 1.00 1.00 H new ATOM 0 HG23 ILE A 719 50.914 -14.647 7.006 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.274 -11.244 5.047 1.00 1.00 H new ATOM 0 HD12 ILE A 719 47.899 -12.044 5.845 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.468 -11.929 6.678 1.00 1.00 H new ATOM 563 N THR A 720 47.861 -17.404 6.685 1.00 1.00 N ATOM 564 CA THR A 720 47.704 -18.515 7.623 1.00 1.00 C ATOM 565 C THR A 720 48.255 -19.806 7.027 1.00 1.00 C ATOM 566 O THR A 720 48.965 -20.555 7.700 1.00 1.00 O ATOM 567 CB THR A 720 46.220 -18.705 7.970 1.00 1.00 C ATOM 568 OG1 THR A 720 45.741 -17.554 8.651 1.00 1.00 O ATOM 569 CG2 THR A 720 46.041 -19.948 8.849 1.00 1.00 C ATOM 0 H THR A 720 46.989 -16.965 6.389 1.00 1.00 H new ATOM 0 HA THR A 720 48.263 -18.278 8.528 1.00 1.00 H new ATOM 0 HB THR A 720 45.650 -18.842 7.051 1.00 1.00 H new ATOM 0 HG1 THR A 720 45.644 -16.814 8.015 1.00 1.00 H new ATOM 0 HG21 THR A 720 44.985 -20.074 9.090 1.00 1.00 H new ATOM 0 HG22 THR A 720 46.399 -20.827 8.313 1.00 1.00 H new ATOM 0 HG23 THR A 720 46.611 -19.828 9.770 1.00 1.00 H new ATOM 577 N ILE A 721 47.927 -20.065 5.767 1.00 1.00 N ATOM 578 CA ILE A 721 48.401 -21.275 5.103 1.00 1.00 C ATOM 579 C ILE A 721 49.748 -21.031 4.428 1.00 1.00 C ATOM 580 O ILE A 721 50.332 -21.942 3.842 1.00 1.00 O ATOM 581 CB ILE A 721 47.368 -21.746 4.076 1.00 1.00 C ATOM 582 CG1 ILE A 721 46.098 -22.196 4.812 1.00 1.00 C ATOM 583 CG2 ILE A 721 47.940 -22.918 3.272 1.00 1.00 C ATOM 584 CD1 ILE A 721 44.967 -22.437 3.806 1.00 1.00 C ATOM 0 H ILE A 721 47.342 -19.462 5.189 1.00 1.00 H new ATOM 0 HA ILE A 721 48.535 -22.053 5.855 1.00 1.00 H new ATOM 0 HB ILE A 721 47.128 -20.929 3.395 1.00 1.00 H new ATOM 0 HG12 ILE A 721 46.297 -23.109 5.373 1.00 1.00 H new ATOM 0 HG13 ILE A 721 45.798 -21.437 5.534 1.00 1.00 H new ATOM 0 HG21 ILE A 721 47.203 -23.252 2.541 1.00 1.00 H new ATOM 0 HG22 ILE A 721 48.844 -22.597 2.755 1.00 1.00 H new ATOM 0 HG23 ILE A 721 48.180 -23.740 3.947 1.00 1.00 H new ATOM 0 HD11 ILE A 721 44.070 -22.756 4.337 1.00 1.00 H new ATOM 0 HD12 ILE A 721 44.759 -21.514 3.264 1.00 1.00 H new ATOM 0 HD13 ILE A 721 45.266 -23.212 3.101 1.00 1.00 H new ATOM 596 N HIS A 722 50.246 -19.802 4.550 1.00 1.00 N ATOM 597 CA HIS A 722 51.539 -19.428 3.982 1.00 1.00 C ATOM 598 C HIS A 722 51.646 -19.769 2.495 1.00 1.00 C ATOM 599 O HIS A 722 51.029 -20.715 2.007 1.00 1.00 O ATOM 600 CB HIS A 722 52.659 -20.128 4.746 1.00 1.00 C ATOM 601 CG HIS A 722 52.793 -19.497 6.100 1.00 1.00 C ATOM 602 ND1 HIS A 722 52.012 -19.888 7.173 1.00 1.00 N ATOM 603 CD2 HIS A 722 53.604 -18.494 6.570 1.00 1.00 C ATOM 604 CE1 HIS A 722 52.365 -19.134 8.228 1.00 1.00 C ATOM 605 NE2 HIS A 722 53.330 -18.265 7.915 1.00 1.00 N ATOM 0 H HIS A 722 49.770 -19.045 5.040 1.00 1.00 H new ATOM 0 HA HIS A 722 51.632 -18.346 4.078 1.00 1.00 H new ATOM 0 HB2 HIS A 722 52.440 -21.191 4.846 1.00 1.00 H new ATOM 0 HB3 HIS A 722 53.597 -20.046 4.198 1.00 1.00 H new ATOM 0 HD1 HIS A 722 51.298 -20.616 7.165 1.00 1.00 H new ATOM 0 HD2 HIS A 722 54.342 -17.964 5.986 1.00 1.00 H new ATOM 0 HE1 HIS A 722 51.922 -19.220 9.209 1.00 1.00 H new ATOM 613 N ASP A 723 52.445 -18.978 1.787 1.00 1.00 N ATOM 614 CA ASP A 723 52.653 -19.185 0.360 1.00 1.00 C ATOM 615 C ASP A 723 53.353 -20.519 0.112 1.00 1.00 C ATOM 616 O ASP A 723 53.041 -21.224 -0.847 1.00 1.00 O ATOM 617 CB ASP A 723 53.495 -18.043 -0.217 1.00 1.00 C ATOM 618 CG ASP A 723 52.676 -16.757 -0.257 1.00 1.00 C ATOM 619 OD1 ASP A 723 51.467 -16.841 -0.125 1.00 1.00 O ATOM 620 OD2 ASP A 723 53.271 -15.704 -0.418 1.00 1.00 O ATOM 0 H ASP A 723 52.959 -18.188 2.178 1.00 1.00 H new ATOM 0 HA ASP A 723 51.682 -19.201 -0.134 1.00 1.00 H new ATOM 0 HB2 ASP A 723 54.388 -17.896 0.391 1.00 1.00 H new ATOM 0 HB3 ASP A 723 53.832 -18.300 -1.221 1.00 1.00 H new ATOM 625 N ARG A 724 54.306 -20.854 0.981 1.00 1.00 N ATOM 626 CA ARG A 724 55.047 -22.105 0.845 1.00 1.00 C ATOM 627 C ARG A 724 55.168 -22.815 2.189 1.00 1.00 C ATOM 628 O ARG A 724 55.212 -22.173 3.240 1.00 1.00 O ATOM 629 CB ARG A 724 56.447 -21.827 0.292 1.00 1.00 C ATOM 630 CG ARG A 724 56.333 -21.334 -1.151 1.00 1.00 C ATOM 631 CD ARG A 724 57.729 -21.040 -1.702 1.00 1.00 C ATOM 632 NE ARG A 724 57.639 -20.603 -3.089 1.00 1.00 N ATOM 633 CZ ARG A 724 57.480 -19.321 -3.404 1.00 1.00 C ATOM 634 NH1 ARG A 724 57.437 -18.409 -2.469 1.00 1.00 N ATOM 635 NH2 ARG A 724 57.375 -18.970 -4.655 1.00 1.00 N ATOM 0 H ARG A 724 54.581 -20.282 1.779 1.00 1.00 H new ATOM 0 HA ARG A 724 54.500 -22.749 0.156 1.00 1.00 H new ATOM 0 HB2 ARG A 724 56.951 -21.079 0.905 1.00 1.00 H new ATOM 0 HB3 ARG A 724 57.053 -22.732 0.332 1.00 1.00 H new ATOM 0 HG2 ARG A 724 55.839 -22.087 -1.766 1.00 1.00 H new ATOM 0 HG3 ARG A 724 55.718 -20.435 -1.192 1.00 1.00 H new ATOM 0 HD2 ARG A 724 58.211 -20.269 -1.100 1.00 1.00 H new ATOM 0 HD3 ARG A 724 58.351 -21.933 -1.634 1.00 1.00 H new ATOM 0 HE ARG A 724 57.699 -21.296 -3.835 1.00 1.00 H new ATOM 0 HH11 ARG A 724 57.526 -18.678 -1.489 1.00 1.00 H new ATOM 0 HH12 ARG A 724 57.315 -17.428 -2.719 1.00 1.00 H new ATOM 0 HH21 ARG A 724 57.415 -19.678 -5.388 1.00 1.00 H new ATOM 0 HH22 ARG A 724 57.253 -17.988 -4.901 1.00 1.00 H new ATOM 649 N LYS A 725 55.227 -24.142 2.145 1.00 1.00 N ATOM 650 CA LYS A 725 55.350 -24.935 3.364 1.00 1.00 C ATOM 651 C LYS A 725 56.692 -24.675 4.051 1.00 1.00 C ATOM 652 O LYS A 725 56.764 -24.588 5.277 1.00 1.00 O ATOM 653 CB LYS A 725 55.208 -26.426 3.031 1.00 1.00 C ATOM 654 CG LYS A 725 56.201 -26.811 1.930 1.00 1.00 C ATOM 655 CD LYS A 725 56.023 -28.290 1.580 1.00 1.00 C ATOM 656 CE LYS A 725 57.035 -28.686 0.503 1.00 1.00 C ATOM 657 NZ LYS A 725 56.844 -30.122 0.151 1.00 1.00 N ATOM 0 H LYS A 725 55.192 -24.689 1.285 1.00 1.00 H new ATOM 0 HA LYS A 725 54.555 -24.641 4.049 1.00 1.00 H new ATOM 0 HB2 LYS A 725 55.390 -27.026 3.923 1.00 1.00 H new ATOM 0 HB3 LYS A 725 54.190 -26.640 2.706 1.00 1.00 H new ATOM 0 HG2 LYS A 725 56.038 -26.195 1.046 1.00 1.00 H new ATOM 0 HG3 LYS A 725 57.222 -26.625 2.264 1.00 1.00 H new ATOM 0 HD2 LYS A 725 56.164 -28.904 2.469 1.00 1.00 H new ATOM 0 HD3 LYS A 725 55.009 -28.471 1.225 1.00 1.00 H new ATOM 0 HE2 LYS A 725 56.905 -28.063 -0.382 1.00 1.00 H new ATOM 0 HE3 LYS A 725 58.050 -28.520 0.863 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 57.531 -30.394 -0.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 56.989 -30.709 0.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 55.879 -30.266 -0.209 1.00 1.00 H new ATOM 671 N GLU A 726 57.751 -24.551 3.252 1.00 1.00 N ATOM 672 CA GLU A 726 59.087 -24.298 3.789 1.00 1.00 C ATOM 673 C GLU A 726 59.744 -23.139 3.047 1.00 1.00 C ATOM 674 O GLU A 726 59.664 -23.049 1.822 1.00 1.00 O ATOM 675 CB GLU A 726 59.963 -25.548 3.645 1.00 1.00 C ATOM 676 CG GLU A 726 59.419 -26.677 4.524 1.00 1.00 C ATOM 677 CD GLU A 726 59.544 -26.308 5.999 1.00 1.00 C ATOM 678 OE1 GLU A 726 60.348 -25.446 6.309 1.00 1.00 O ATOM 679 OE2 GLU A 726 58.833 -26.896 6.798 1.00 1.00 O ATOM 0 H GLU A 726 57.710 -24.621 2.235 1.00 1.00 H new ATOM 0 HA GLU A 726 58.989 -24.044 4.844 1.00 1.00 H new ATOM 0 HB2 GLU A 726 59.986 -25.867 2.603 1.00 1.00 H new ATOM 0 HB3 GLU A 726 60.989 -25.317 3.930 1.00 1.00 H new ATOM 0 HG2 GLU A 726 58.375 -26.868 4.277 1.00 1.00 H new ATOM 0 HG3 GLU A 726 59.967 -27.598 4.325 1.00 1.00 H new ATOM 686 N PHE A 727 60.396 -22.259 3.797 1.00 1.00 N ATOM 687 CA PHE A 727 61.066 -21.112 3.195 1.00 1.00 C ATOM 688 C PHE A 727 62.206 -20.625 4.084 1.00 1.00 C ATOM 689 O PHE A 727 63.155 -20.079 3.546 1.00 1.00 O ATOM 690 CB PHE A 727 60.068 -19.974 2.986 1.00 1.00 C ATOM 691 CG PHE A 727 59.497 -19.558 4.322 1.00 1.00 C ATOM 692 CD1 PHE A 727 58.352 -20.191 4.822 1.00 1.00 C ATOM 693 CD2 PHE A 727 60.118 -18.548 5.066 1.00 1.00 C ATOM 694 CE1 PHE A 727 57.829 -19.812 6.064 1.00 1.00 C ATOM 695 CE2 PHE A 727 59.594 -18.168 6.308 1.00 1.00 C ATOM 696 CZ PHE A 727 58.451 -18.801 6.808 1.00 1.00 C ATOM 697 OXT PHE A 727 62.112 -20.805 5.288 1.00 1.00 O ATOM 0 H PHE A 727 60.475 -22.315 4.812 1.00 1.00 H new ATOM 0 HA PHE A 727 61.475 -21.423 2.234 1.00 1.00 H new ATOM 0 HB2 PHE A 727 60.560 -19.127 2.508 1.00 1.00 H new ATOM 0 HB3 PHE A 727 59.267 -20.295 2.320 1.00 1.00 H new ATOM 0 HD1 PHE A 727 57.873 -20.971 4.249 1.00 1.00 H new ATOM 0 HD2 PHE A 727 61.002 -18.061 4.682 1.00 1.00 H new ATOM 0 HE1 PHE A 727 56.945 -20.299 6.449 1.00 1.00 H new ATOM 0 HE2 PHE A 727 60.072 -17.386 6.880 1.00 1.00 H new ATOM 0 HZ PHE A 727 58.048 -18.510 7.767 1.00 1.00 H new TER 707 PHE A 727