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= 0.606 USER MOD Single : A 689 LYS NZ :NH3+ 159:sc= -0.0501 (180deg=-0.59) USER MOD Single : A 699 SER OG : rot 98:sc= 1.28 USER MOD Single : A 701 MET CE :methyl 163:sc= -0.0162 (180deg=-0.396) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 76:sc= 0.699 USER MOD Single : A 722 HIS : no HE2:sc= 0.00241 K(o=0.0024,f=-8.3!) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 22.620 -10.853 -7.763 1.00 1.00 N ATOM 2 CA PRO A 685 22.117 -10.262 -9.031 1.00 1.00 C ATOM 3 C PRO A 685 22.434 -11.204 -10.191 1.00 1.00 C ATOM 4 O PRO A 685 23.600 -11.402 -10.540 1.00 1.00 O ATOM 5 CB PRO A 685 22.799 -8.907 -9.225 1.00 1.00 C ATOM 6 CG PRO A 685 23.867 -8.855 -8.176 1.00 1.00 C ATOM 7 CD PRO A 685 23.471 -9.847 -7.072 1.00 1.00 C ATOM 0 HA PRO A 685 21.037 -10.122 -8.995 1.00 1.00 H new ATOM 0 HB2 PRO A 685 23.224 -8.819 -10.225 1.00 1.00 H new ATOM 0 HB3 PRO A 685 22.090 -8.088 -9.107 1.00 1.00 H new ATOM 0 HG2 PRO A 685 24.836 -9.119 -8.600 1.00 1.00 H new ATOM 0 HG3 PRO A 685 23.960 -7.847 -7.772 1.00 1.00 H new ATOM 0 HD2 PRO A 685 24.349 -10.311 -6.622 1.00 1.00 H new ATOM 0 HD3 PRO A 685 22.926 -9.351 -6.269 1.00 1.00 H new ATOM 17 N GLU A 686 21.392 -11.787 -10.782 1.00 1.00 N ATOM 18 CA GLU A 686 21.582 -12.708 -11.901 1.00 1.00 C ATOM 19 C GLU A 686 21.990 -11.941 -13.153 1.00 1.00 C ATOM 20 O GLU A 686 21.412 -10.901 -13.477 1.00 1.00 O ATOM 21 CB GLU A 686 20.297 -13.508 -12.167 1.00 1.00 C ATOM 22 CG GLU A 686 20.046 -14.471 -11.001 1.00 1.00 C ATOM 23 CD GLU A 686 18.725 -15.212 -11.201 1.00 1.00 C ATOM 24 OE1 GLU A 686 18.044 -14.923 -12.170 1.00 1.00 O ATOM 25 OE2 GLU A 686 18.416 -16.059 -10.376 1.00 1.00 O ATOM 0 H GLU A 686 20.420 -11.641 -10.509 1.00 1.00 H new ATOM 0 HA GLU A 686 22.377 -13.406 -11.640 1.00 1.00 H new ATOM 0 HB2 GLU A 686 19.451 -12.830 -12.282 1.00 1.00 H new ATOM 0 HB3 GLU A 686 20.389 -14.065 -13.100 1.00 1.00 H new ATOM 0 HG2 GLU A 686 20.865 -15.187 -10.929 1.00 1.00 H new ATOM 0 HG3 GLU A 686 20.022 -13.918 -10.062 1.00 1.00 H new ATOM 32 N SER A 687 23.005 -12.451 -13.842 1.00 1.00 N ATOM 33 CA SER A 687 23.501 -11.800 -15.046 1.00 1.00 C ATOM 34 C SER A 687 23.910 -12.825 -16.097 1.00 1.00 C ATOM 35 O SER A 687 25.097 -13.032 -16.351 1.00 1.00 O ATOM 36 CB SER A 687 24.709 -10.934 -14.692 1.00 1.00 C ATOM 37 OG SER A 687 24.993 -10.058 -15.772 1.00 1.00 O ATOM 0 H SER A 687 23.497 -13.308 -13.589 1.00 1.00 H new ATOM 0 HA SER A 687 22.701 -11.184 -15.457 1.00 1.00 H new ATOM 0 HB2 SER A 687 24.507 -10.360 -13.787 1.00 1.00 H new ATOM 0 HB3 SER A 687 25.574 -11.564 -14.483 1.00 1.00 H new ATOM 0 HG SER A 687 25.267 -10.581 -16.554 1.00 1.00 H new ATOM 43 N PRO A 688 22.951 -13.452 -16.715 1.00 1.00 N ATOM 44 CA PRO A 688 23.208 -14.465 -17.775 1.00 1.00 C ATOM 45 C PRO A 688 24.071 -13.897 -18.907 1.00 1.00 C ATOM 46 O PRO A 688 24.808 -14.634 -19.563 1.00 1.00 O ATOM 47 CB PRO A 688 21.811 -14.835 -18.283 1.00 1.00 C ATOM 48 CG PRO A 688 20.872 -14.450 -17.188 1.00 1.00 C ATOM 49 CD PRO A 688 21.516 -13.272 -16.459 1.00 1.00 C ATOM 0 HA PRO A 688 23.761 -15.324 -17.395 1.00 1.00 H new ATOM 0 HB2 PRO A 688 21.576 -14.305 -19.206 1.00 1.00 H new ATOM 0 HB3 PRO A 688 21.743 -15.901 -18.502 1.00 1.00 H new ATOM 0 HG2 PRO A 688 19.899 -14.171 -17.592 1.00 1.00 H new ATOM 0 HG3 PRO A 688 20.707 -15.285 -16.507 1.00 1.00 H new ATOM 0 HD2 PRO A 688 21.157 -12.317 -16.843 1.00 1.00 H new ATOM 0 HD3 PRO A 688 21.293 -13.290 -15.392 1.00 1.00 H new ATOM 57 N LYS A 689 23.977 -12.584 -19.123 1.00 1.00 N ATOM 58 CA LYS A 689 24.760 -11.925 -20.169 1.00 1.00 C ATOM 59 C LYS A 689 25.861 -11.072 -19.544 1.00 1.00 C ATOM 60 O LYS A 689 25.673 -10.486 -18.479 1.00 1.00 O ATOM 61 CB LYS A 689 23.857 -11.040 -21.035 1.00 1.00 C ATOM 62 CG LYS A 689 22.852 -11.922 -21.775 1.00 1.00 C ATOM 63 CD LYS A 689 21.929 -11.054 -22.628 1.00 1.00 C ATOM 64 CE LYS A 689 20.950 -11.955 -23.381 1.00 1.00 C ATOM 65 NZ LYS A 689 20.086 -12.678 -22.403 1.00 1.00 N ATOM 0 H LYS A 689 23.371 -11.960 -18.591 1.00 1.00 H new ATOM 0 HA LYS A 689 25.212 -12.694 -20.796 1.00 1.00 H new ATOM 0 HB2 LYS A 689 23.333 -10.314 -20.413 1.00 1.00 H new ATOM 0 HB3 LYS A 689 24.457 -10.474 -21.748 1.00 1.00 H new ATOM 0 HG2 LYS A 689 23.379 -12.638 -22.406 1.00 1.00 H new ATOM 0 HG3 LYS A 689 22.265 -12.499 -21.060 1.00 1.00 H new ATOM 0 HD2 LYS A 689 21.384 -10.351 -21.997 1.00 1.00 H new ATOM 0 HD3 LYS A 689 22.514 -10.463 -23.332 1.00 1.00 H new ATOM 0 HE2 LYS A 689 20.335 -11.358 -24.055 1.00 1.00 H new ATOM 0 HE3 LYS A 689 21.497 -12.669 -23.997 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 19.218 -12.999 -22.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 20.600 -13.501 -22.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 19.837 -12.039 -21.621 1.00 1.00 H new ATOM 79 N GLY A 690 27.011 -11.019 -20.208 1.00 1.00 N ATOM 80 CA GLY A 690 28.138 -10.245 -19.703 1.00 1.00 C ATOM 81 C GLY A 690 29.452 -10.815 -20.221 1.00 1.00 C ATOM 82 O GLY A 690 30.179 -11.491 -19.491 1.00 1.00 O ATOM 0 H GLY A 690 27.186 -11.499 -21.091 1.00 1.00 H new ATOM 0 HA2 GLY A 690 28.039 -9.204 -20.012 1.00 1.00 H new ATOM 0 HA3 GLY A 690 28.135 -10.256 -18.613 1.00 1.00 H new ATOM 86 N PRO A 691 29.759 -10.565 -21.462 1.00 1.00 N ATOM 87 CA PRO A 691 31.010 -11.070 -22.094 1.00 1.00 C ATOM 88 C PRO A 691 32.261 -10.707 -21.291 1.00 1.00 C ATOM 89 O PRO A 691 33.181 -11.514 -21.170 1.00 1.00 O ATOM 90 CB PRO A 691 31.032 -10.392 -23.466 1.00 1.00 C ATOM 91 CG PRO A 691 29.613 -10.024 -23.752 1.00 1.00 C ATOM 92 CD PRO A 691 28.947 -9.777 -22.400 1.00 1.00 C ATOM 0 HA PRO A 691 31.018 -12.159 -22.150 1.00 1.00 H new ATOM 0 HB2 PRO A 691 31.672 -9.510 -23.458 1.00 1.00 H new ATOM 0 HB3 PRO A 691 31.425 -11.064 -24.229 1.00 1.00 H new ATOM 0 HG2 PRO A 691 29.562 -9.133 -24.378 1.00 1.00 H new ATOM 0 HG3 PRO A 691 29.107 -10.823 -24.293 1.00 1.00 H new ATOM 0 HD2 PRO A 691 28.949 -8.718 -22.140 1.00 1.00 H new ATOM 0 HD3 PRO A 691 27.907 -10.103 -22.401 1.00 1.00 H new ATOM 100 N ASP A 692 32.296 -9.491 -20.748 1.00 1.00 N ATOM 101 CA ASP A 692 33.455 -9.053 -19.971 1.00 1.00 C ATOM 102 C ASP A 692 33.398 -9.587 -18.543 1.00 1.00 C ATOM 103 O ASP A 692 32.798 -8.982 -17.658 1.00 1.00 O ATOM 104 CB ASP A 692 33.529 -7.528 -19.939 1.00 1.00 C ATOM 105 CG ASP A 692 33.963 -6.991 -21.299 1.00 1.00 C ATOM 106 OD1 ASP A 692 34.410 -7.781 -22.113 1.00 1.00 O ATOM 107 OD2 ASP A 692 33.854 -5.792 -21.502 1.00 1.00 O ATOM 0 H ASP A 692 31.549 -8.801 -20.829 1.00 1.00 H new ATOM 0 HA ASP A 692 34.346 -9.451 -20.456 1.00 1.00 H new ATOM 0 HB2 ASP A 692 32.556 -7.115 -19.671 1.00 1.00 H new ATOM 0 HB3 ASP A 692 34.234 -7.207 -19.172 1.00 1.00 H new ATOM 112 N ILE A 693 34.074 -10.708 -18.329 1.00 1.00 N ATOM 113 CA ILE A 693 34.160 -11.310 -17.003 1.00 1.00 C ATOM 114 C ILE A 693 34.920 -10.368 -16.066 1.00 1.00 C ATOM 115 O ILE A 693 34.554 -10.202 -14.902 1.00 1.00 O ATOM 116 CB ILE A 693 34.888 -12.649 -17.093 1.00 1.00 C ATOM 117 CG1 ILE A 693 34.024 -13.626 -17.892 1.00 1.00 C ATOM 118 CG2 ILE A 693 35.129 -13.198 -15.681 1.00 1.00 C ATOM 119 CD1 ILE A 693 34.856 -14.845 -18.285 1.00 1.00 C ATOM 0 H ILE A 693 34.572 -11.220 -19.057 1.00 1.00 H new ATOM 0 HA ILE A 693 33.156 -11.476 -16.612 1.00 1.00 H new ATOM 0 HB ILE A 693 35.849 -12.519 -17.590 1.00 1.00 H new ATOM 0 HG12 ILE A 693 33.164 -13.936 -17.298 1.00 1.00 H new ATOM 0 HG13 ILE A 693 33.634 -13.136 -18.784 1.00 1.00 H new ATOM 0 HG21 ILE A 693 35.649 -14.154 -15.746 1.00 1.00 H new ATOM 0 HG22 ILE A 693 35.737 -12.492 -15.115 1.00 1.00 H new ATOM 0 HG23 ILE A 693 34.173 -13.339 -15.177 1.00 1.00 H new ATOM 0 HD11 ILE A 693 34.238 -15.539 -18.854 1.00 1.00 H new ATOM 0 HD12 ILE A 693 35.701 -14.527 -18.896 1.00 1.00 H new ATOM 0 HD13 ILE A 693 35.224 -15.340 -17.386 1.00 1.00 H new ATOM 131 N LEU A 694 35.997 -9.784 -16.584 1.00 1.00 N ATOM 132 CA LEU A 694 36.836 -8.886 -15.790 1.00 1.00 C ATOM 133 C LEU A 694 36.054 -7.675 -15.294 1.00 1.00 C ATOM 134 O LEU A 694 36.214 -7.261 -14.146 1.00 1.00 O ATOM 135 CB LEU A 694 38.021 -8.391 -16.621 1.00 1.00 C ATOM 136 CG LEU A 694 39.003 -9.536 -16.889 1.00 1.00 C ATOM 137 CD1 LEU A 694 40.057 -9.057 -17.883 1.00 1.00 C ATOM 138 CD2 LEU A 694 39.693 -9.972 -15.586 1.00 1.00 C ATOM 0 H LEU A 694 36.310 -9.915 -17.546 1.00 1.00 H new ATOM 0 HA LEU A 694 37.188 -9.456 -14.930 1.00 1.00 H new ATOM 0 HB2 LEU A 694 37.664 -7.981 -17.566 1.00 1.00 H new ATOM 0 HB3 LEU A 694 38.530 -7.583 -16.095 1.00 1.00 H new ATOM 0 HG LEU A 694 38.457 -10.388 -17.295 1.00 1.00 H new ATOM 0 HD11 LEU A 694 40.763 -9.864 -18.082 1.00 1.00 H new ATOM 0 HD12 LEU A 694 39.572 -8.761 -18.813 1.00 1.00 H new ATOM 0 HD13 LEU A 694 40.590 -8.203 -17.465 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.387 -10.786 -15.796 1.00 1.00 H new ATOM 0 HD22 LEU A 694 40.240 -9.129 -15.164 1.00 1.00 H new ATOM 0 HD23 LEU A 694 38.942 -10.311 -14.872 1.00 1.00 H new ATOM 150 N VAL A 695 35.215 -7.105 -16.155 1.00 1.00 N ATOM 151 CA VAL A 695 34.427 -5.941 -15.777 1.00 1.00 C ATOM 152 C VAL A 695 33.492 -6.278 -14.620 1.00 1.00 C ATOM 153 O VAL A 695 33.349 -5.499 -13.678 1.00 1.00 O ATOM 154 CB VAL A 695 33.603 -5.452 -16.968 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.552 -4.455 -16.480 1.00 1.00 C ATOM 156 CG2 VAL A 695 34.517 -4.769 -17.993 1.00 1.00 C ATOM 0 H VAL A 695 35.066 -7.429 -17.111 1.00 1.00 H new ATOM 0 HA VAL A 695 35.113 -5.154 -15.462 1.00 1.00 H new ATOM 0 HB VAL A 695 33.113 -6.304 -17.439 1.00 1.00 H new ATOM 0 HG11 VAL A 695 31.962 -4.104 -17.327 1.00 1.00 H new ATOM 0 HG12 VAL A 695 31.896 -4.942 -15.758 1.00 1.00 H new ATOM 0 HG13 VAL A 695 33.047 -3.607 -16.006 1.00 1.00 H new ATOM 0 HG21 VAL A 695 33.922 -4.424 -18.838 1.00 1.00 H new ATOM 0 HG22 VAL A 695 35.014 -3.918 -17.527 1.00 1.00 H new ATOM 0 HG23 VAL A 695 35.266 -5.479 -18.343 1.00 1.00 H new ATOM 166 N VAL A 696 32.844 -7.435 -14.703 1.00 1.00 N ATOM 167 CA VAL A 696 31.906 -7.859 -13.670 1.00 1.00 C ATOM 168 C VAL A 696 32.609 -8.191 -12.353 1.00 1.00 C ATOM 169 O VAL A 696 32.140 -7.790 -11.288 1.00 1.00 O ATOM 170 CB VAL A 696 31.113 -9.077 -14.151 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.221 -9.578 -13.012 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.239 -8.679 -15.343 1.00 1.00 C ATOM 0 H VAL A 696 32.951 -8.095 -15.473 1.00 1.00 H new ATOM 0 HA VAL A 696 31.230 -7.025 -13.483 1.00 1.00 H new ATOM 0 HB VAL A 696 31.801 -9.866 -14.454 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.654 -10.446 -13.349 1.00 1.00 H new ATOM 0 HG12 VAL A 696 30.841 -9.858 -12.161 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.532 -8.787 -12.715 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.674 -9.546 -15.686 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.548 -7.892 -15.041 1.00 1.00 H new ATOM 0 HG23 VAL A 696 30.872 -8.315 -16.153 1.00 1.00 H new ATOM 182 N LEU A 697 33.726 -8.920 -12.411 1.00 1.00 N ATOM 183 CA LEU A 697 34.431 -9.263 -11.173 1.00 1.00 C ATOM 184 C LEU A 697 34.908 -7.999 -10.463 1.00 1.00 C ATOM 185 O LEU A 697 34.765 -7.882 -9.246 1.00 1.00 O ATOM 186 CB LEU A 697 35.620 -10.188 -11.465 1.00 1.00 C ATOM 187 CG LEU A 697 35.103 -11.579 -11.862 1.00 1.00 C ATOM 188 CD1 LEU A 697 36.265 -12.445 -12.350 1.00 1.00 C ATOM 189 CD2 LEU A 697 34.446 -12.265 -10.657 1.00 1.00 C ATOM 0 H LEU A 697 34.150 -9.274 -13.268 1.00 1.00 H new ATOM 0 HA LEU A 697 33.736 -9.790 -10.519 1.00 1.00 H new ATOM 0 HB2 LEU A 697 36.229 -9.772 -12.268 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.260 -10.264 -10.586 1.00 1.00 H new ATOM 0 HG LEU A 697 34.368 -11.460 -12.659 1.00 1.00 H new ATOM 0 HD11 LEU A 697 35.892 -13.430 -12.630 1.00 1.00 H new ATOM 0 HD12 LEU A 697 36.731 -11.974 -13.215 1.00 1.00 H new ATOM 0 HD13 LEU A 697 37.001 -12.549 -11.553 1.00 1.00 H new ATOM 0 HD21 LEU A 697 34.084 -13.250 -10.952 1.00 1.00 H new ATOM 0 HD22 LEU A 697 35.177 -12.372 -9.856 1.00 1.00 H new ATOM 0 HD23 LEU A 697 33.609 -11.661 -10.306 1.00 1.00 H new ATOM 201 N LEU A 698 35.458 -7.049 -11.212 1.00 1.00 N ATOM 202 CA LEU A 698 35.922 -5.807 -10.604 1.00 1.00 C ATOM 203 C LEU A 698 34.751 -5.039 -10.003 1.00 1.00 C ATOM 204 O LEU A 698 34.854 -4.481 -8.911 1.00 1.00 O ATOM 205 CB LEU A 698 36.650 -4.928 -11.630 1.00 1.00 C ATOM 206 CG LEU A 698 38.159 -5.237 -11.645 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.426 -6.630 -12.224 1.00 1.00 C ATOM 208 CD2 LEU A 698 38.873 -4.196 -12.508 1.00 1.00 C ATOM 0 H LEU A 698 35.592 -7.112 -12.221 1.00 1.00 H new ATOM 0 HA LEU A 698 36.624 -6.065 -9.811 1.00 1.00 H new ATOM 0 HB2 LEU A 698 36.230 -5.096 -12.622 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.492 -3.876 -11.391 1.00 1.00 H new ATOM 0 HG LEU A 698 38.531 -5.206 -10.621 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.498 -6.825 -12.224 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.921 -7.380 -11.615 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.049 -6.678 -13.245 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.942 -4.408 -12.524 1.00 1.00 H new ATOM 0 HD22 LEU A 698 38.480 -4.235 -13.524 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.706 -3.202 -12.092 1.00 1.00 H new ATOM 220 N SER A 699 33.636 -5.008 -10.719 1.00 1.00 N ATOM 221 CA SER A 699 32.468 -4.296 -10.221 1.00 1.00 C ATOM 222 C SER A 699 32.041 -4.868 -8.873 1.00 1.00 C ATOM 223 O SER A 699 31.772 -4.122 -7.931 1.00 1.00 O ATOM 224 CB SER A 699 31.319 -4.429 -11.217 1.00 1.00 C ATOM 225 OG SER A 699 31.731 -3.919 -12.477 1.00 1.00 O ATOM 0 H SER A 699 33.515 -5.457 -11.627 1.00 1.00 H new ATOM 0 HA SER A 699 32.723 -3.243 -10.098 1.00 1.00 H new ATOM 0 HB2 SER A 699 31.024 -5.474 -11.313 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.446 -3.883 -10.858 1.00 1.00 H new ATOM 0 HG SER A 699 32.013 -4.660 -13.053 1.00 1.00 H new ATOM 231 N VAL A 700 32.000 -6.196 -8.781 1.00 1.00 N ATOM 232 CA VAL A 700 31.626 -6.850 -7.533 1.00 1.00 C ATOM 233 C VAL A 700 32.665 -6.547 -6.465 1.00 1.00 C ATOM 234 O VAL A 700 32.322 -6.215 -5.330 1.00 1.00 O ATOM 235 CB VAL A 700 31.525 -8.361 -7.734 1.00 1.00 C ATOM 236 CG1 VAL A 700 31.350 -9.045 -6.373 1.00 1.00 C ATOM 237 CG2 VAL A 700 30.322 -8.669 -8.628 1.00 1.00 C ATOM 0 H VAL A 700 32.219 -6.832 -9.548 1.00 1.00 H new ATOM 0 HA VAL A 700 30.655 -6.471 -7.216 1.00 1.00 H new ATOM 0 HB VAL A 700 32.433 -8.733 -8.208 1.00 1.00 H new ATOM 0 HG11 VAL A 700 31.278 -10.123 -6.514 1.00 1.00 H new ATOM 0 HG12 VAL A 700 32.207 -8.819 -5.739 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.440 -8.680 -5.897 1.00 1.00 H new ATOM 0 HG21 VAL A 700 30.244 -9.746 -8.775 1.00 1.00 H new ATOM 0 HG22 VAL A 700 29.412 -8.301 -8.153 1.00 1.00 H new ATOM 0 HG23 VAL A 700 30.451 -8.179 -9.593 1.00 1.00 H new ATOM 247 N MET A 701 33.936 -6.666 -6.824 1.00 1.00 N ATOM 248 CA MET A 701 35.004 -6.406 -5.871 1.00 1.00 C ATOM 249 C MET A 701 34.937 -4.960 -5.392 1.00 1.00 C ATOM 250 O MET A 701 35.149 -4.680 -4.213 1.00 1.00 O ATOM 251 CB MET A 701 36.364 -6.661 -6.528 1.00 1.00 C ATOM 252 CG MET A 701 36.608 -8.170 -6.636 1.00 1.00 C ATOM 253 SD MET A 701 38.096 -8.488 -7.626 1.00 1.00 S ATOM 254 CE MET A 701 39.335 -7.911 -6.436 1.00 1.00 C ATOM 0 H MET A 701 34.249 -6.937 -7.756 1.00 1.00 H new ATOM 0 HA MET A 701 34.882 -7.074 -5.018 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.392 -6.206 -7.518 1.00 1.00 H new ATOM 0 HB3 MET A 701 37.156 -6.195 -5.941 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.724 -8.600 -5.641 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.746 -8.654 -7.094 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.316 -8.292 -6.719 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.356 -6.821 -6.432 1.00 1.00 H new ATOM 0 HE3 MET A 701 39.079 -8.272 -5.440 1.00 1.00 H new ATOM 264 N GLY A 702 34.624 -4.048 -6.310 1.00 1.00 N ATOM 265 CA GLY A 702 34.518 -2.641 -5.955 1.00 1.00 C ATOM 266 C GLY A 702 33.407 -2.426 -4.931 1.00 1.00 C ATOM 267 O GLY A 702 33.582 -1.693 -3.957 1.00 1.00 O ATOM 0 H GLY A 702 34.442 -4.257 -7.292 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.467 -2.291 -5.549 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.316 -2.050 -6.848 1.00 1.00 H new ATOM 271 N ALA A 703 32.258 -3.058 -5.171 1.00 1.00 N ATOM 272 CA ALA A 703 31.122 -2.914 -4.266 1.00 1.00 C ATOM 273 C ALA A 703 31.487 -3.391 -2.868 1.00 1.00 C ATOM 274 O ALA A 703 31.089 -2.782 -1.875 1.00 1.00 O ATOM 275 CB ALA A 703 29.916 -3.706 -4.778 1.00 1.00 C ATOM 0 H ALA A 703 32.092 -3.666 -5.973 1.00 1.00 H new ATOM 0 HA ALA A 703 30.860 -1.857 -4.225 1.00 1.00 H new ATOM 0 HB1 ALA A 703 29.081 -3.584 -4.088 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.630 -3.337 -5.763 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.177 -4.762 -4.848 1.00 1.00 H new ATOM 281 N ILE A 704 32.243 -4.483 -2.786 1.00 1.00 N ATOM 282 CA ILE A 704 32.637 -5.007 -1.486 1.00 1.00 C ATOM 283 C ILE A 704 33.545 -4.014 -0.768 1.00 1.00 C ATOM 284 O ILE A 704 33.389 -3.773 0.423 1.00 1.00 O ATOM 285 CB ILE A 704 33.364 -6.340 -1.652 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.381 -7.397 -2.162 1.00 1.00 C ATOM 287 CG2 ILE A 704 33.922 -6.782 -0.298 1.00 1.00 C ATOM 288 CD1 ILE A 704 33.154 -8.639 -2.608 1.00 1.00 C ATOM 0 H ILE A 704 32.588 -5.011 -3.587 1.00 1.00 H new ATOM 0 HA ILE A 704 31.738 -5.162 -0.890 1.00 1.00 H new ATOM 0 HB ILE A 704 34.179 -6.225 -2.367 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.672 -7.659 -1.376 1.00 1.00 H new ATOM 0 HG13 ILE A 704 31.801 -6.998 -2.994 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.442 -7.733 -0.412 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.619 -6.030 0.072 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.104 -6.899 0.412 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.455 -9.392 -2.971 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.845 -8.370 -3.407 1.00 1.00 H new ATOM 0 HD13 ILE A 704 33.714 -9.041 -1.764 1.00 1.00 H new ATOM 300 N LEU A 705 34.508 -3.453 -1.486 1.00 1.00 N ATOM 301 CA LEU A 705 35.437 -2.510 -0.869 1.00 1.00 C ATOM 302 C LEU A 705 34.706 -1.268 -0.357 1.00 1.00 C ATOM 303 O LEU A 705 34.984 -0.784 0.740 1.00 1.00 O ATOM 304 CB LEU A 705 36.498 -2.086 -1.886 1.00 1.00 C ATOM 305 CG LEU A 705 37.441 -3.257 -2.192 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.345 -2.871 -3.362 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.312 -3.588 -0.972 1.00 1.00 C ATOM 0 H LEU A 705 34.667 -3.628 -2.478 1.00 1.00 H new ATOM 0 HA LEU A 705 35.910 -3.009 -0.023 1.00 1.00 H new ATOM 0 HB2 LEU A 705 36.017 -1.748 -2.804 1.00 1.00 H new ATOM 0 HB3 LEU A 705 37.069 -1.243 -1.496 1.00 1.00 H new ATOM 0 HG LEU A 705 36.844 -4.134 -2.442 1.00 1.00 H new ATOM 0 HD11 LEU A 705 39.020 -3.697 -3.588 1.00 1.00 H new ATOM 0 HD12 LEU A 705 37.734 -2.652 -4.237 1.00 1.00 H new ATOM 0 HD13 LEU A 705 38.927 -1.989 -3.096 1.00 1.00 H new ATOM 0 HD21 LEU A 705 38.973 -4.421 -1.212 1.00 1.00 H new ATOM 0 HD22 LEU A 705 38.909 -2.717 -0.704 1.00 1.00 H new ATOM 0 HD23 LEU A 705 37.673 -3.862 -0.132 1.00 1.00 H new ATOM 319 N LEU A 706 33.790 -0.751 -1.168 1.00 1.00 N ATOM 320 CA LEU A 706 33.040 0.453 -0.808 1.00 1.00 C ATOM 321 C LEU A 706 32.168 0.266 0.439 1.00 1.00 C ATOM 322 O LEU A 706 32.112 1.150 1.295 1.00 1.00 O ATOM 323 CB LEU A 706 32.138 0.852 -1.980 1.00 1.00 C ATOM 324 CG LEU A 706 32.997 1.346 -3.153 1.00 1.00 C ATOM 325 CD1 LEU A 706 32.120 1.535 -4.394 1.00 1.00 C ATOM 326 CD2 LEU A 706 33.662 2.681 -2.802 1.00 1.00 C ATOM 0 H LEU A 706 33.547 -1.143 -2.078 1.00 1.00 H new ATOM 0 HA LEU A 706 33.772 1.229 -0.584 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.535 -0.000 -2.293 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.447 1.635 -1.669 1.00 1.00 H new ATOM 0 HG LEU A 706 33.768 0.603 -3.355 1.00 1.00 H new ATOM 0 HD11 LEU A 706 32.734 1.886 -5.224 1.00 1.00 H new ATOM 0 HD12 LEU A 706 31.658 0.585 -4.661 1.00 1.00 H new ATOM 0 HD13 LEU A 706 31.343 2.269 -4.182 1.00 1.00 H new ATOM 0 HD21 LEU A 706 34.267 3.018 -3.643 1.00 1.00 H new ATOM 0 HD22 LEU A 706 32.894 3.424 -2.586 1.00 1.00 H new ATOM 0 HD23 LEU A 706 34.298 2.552 -1.926 1.00 1.00 H new ATOM 338 N ILE A 707 31.494 -0.879 0.549 1.00 1.00 N ATOM 339 CA ILE A 707 30.641 -1.131 1.711 1.00 1.00 C ATOM 340 C ILE A 707 31.499 -1.358 2.954 1.00 1.00 C ATOM 341 O ILE A 707 31.148 -0.922 4.051 1.00 1.00 O ATOM 342 CB ILE A 707 29.716 -2.339 1.466 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.411 -2.152 2.241 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.379 -3.637 1.932 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.428 -1.347 1.392 1.00 1.00 C ATOM 0 H ILE A 707 31.520 -1.633 -0.137 1.00 1.00 H new ATOM 0 HA ILE A 707 30.013 -0.254 1.872 1.00 1.00 H new ATOM 0 HB ILE A 707 29.517 -2.403 0.396 1.00 1.00 H new ATOM 0 HG12 ILE A 707 27.982 -3.122 2.492 1.00 1.00 H new ATOM 0 HG13 ILE A 707 28.604 -1.636 3.181 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.707 -4.475 1.749 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.307 -3.789 1.382 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.596 -3.572 2.998 1.00 1.00 H new ATOM 0 HD11 ILE A 707 26.497 -1.213 1.943 1.00 1.00 H new ATOM 0 HD12 ILE A 707 27.858 -0.372 1.163 1.00 1.00 H new ATOM 0 HD13 ILE A 707 27.227 -1.881 0.464 1.00 1.00 H new ATOM 357 N GLY A 708 32.623 -2.046 2.771 1.00 1.00 N ATOM 358 CA GLY A 708 33.512 -2.325 3.892 1.00 1.00 C ATOM 359 C GLY A 708 34.030 -1.023 4.490 1.00 1.00 C ATOM 360 O GLY A 708 34.057 -0.859 5.708 1.00 1.00 O ATOM 0 H GLY A 708 32.935 -2.415 1.873 1.00 1.00 H new ATOM 0 HA2 GLY A 708 32.981 -2.897 4.653 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.349 -2.938 3.558 1.00 1.00 H new ATOM 364 N LEU A 709 34.437 -0.094 3.631 1.00 1.00 N ATOM 365 CA LEU A 709 34.941 1.184 4.113 1.00 1.00 C ATOM 366 C LEU A 709 33.830 1.928 4.851 1.00 1.00 C ATOM 367 O LEU A 709 34.061 2.510 5.912 1.00 1.00 O ATOM 368 CB LEU A 709 35.462 2.033 2.943 1.00 1.00 C ATOM 369 CG LEU A 709 36.749 1.404 2.381 1.00 1.00 C ATOM 370 CD1 LEU A 709 37.178 2.137 1.109 1.00 1.00 C ATOM 371 CD2 LEU A 709 37.883 1.494 3.410 1.00 1.00 C ATOM 0 H LEU A 709 34.428 -0.199 2.616 1.00 1.00 H new ATOM 0 HA LEU A 709 35.768 1.002 4.799 1.00 1.00 H new ATOM 0 HB2 LEU A 709 34.705 2.096 2.161 1.00 1.00 H new ATOM 0 HB3 LEU A 709 35.659 3.051 3.279 1.00 1.00 H new ATOM 0 HG LEU A 709 36.546 0.357 2.155 1.00 1.00 H new ATOM 0 HD11 LEU A 709 38.090 1.685 0.718 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.387 2.063 0.362 1.00 1.00 H new ATOM 0 HD13 LEU A 709 37.363 3.186 1.339 1.00 1.00 H new ATOM 0 HD21 LEU A 709 38.786 1.045 2.997 1.00 1.00 H new ATOM 0 HD22 LEU A 709 38.075 2.540 3.649 1.00 1.00 H new ATOM 0 HD23 LEU A 709 37.595 0.961 4.316 1.00 1.00 H new ATOM 383 N ALA A 710 32.621 1.902 4.293 1.00 1.00 N ATOM 384 CA ALA A 710 31.492 2.582 4.928 1.00 1.00 C ATOM 385 C ALA A 710 31.254 2.028 6.332 1.00 1.00 C ATOM 386 O ALA A 710 30.967 2.776 7.264 1.00 1.00 O ATOM 387 CB ALA A 710 30.227 2.396 4.084 1.00 1.00 C ATOM 0 H ALA A 710 32.399 1.427 3.418 1.00 1.00 H new ATOM 0 HA ALA A 710 31.727 3.644 5.002 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.391 2.905 4.564 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.387 2.817 3.091 1.00 1.00 H new ATOM 0 HB3 ALA A 710 30.002 1.333 3.995 1.00 1.00 H new ATOM 393 N ALA A 711 31.374 0.712 6.468 1.00 1.00 N ATOM 394 CA ALA A 711 31.164 0.066 7.764 1.00 1.00 C ATOM 395 C ALA A 711 32.216 0.518 8.767 1.00 1.00 C ATOM 396 O ALA A 711 31.916 0.740 9.940 1.00 1.00 O ATOM 397 CB ALA A 711 31.241 -1.451 7.603 1.00 1.00 C ATOM 0 H ALA A 711 31.613 0.075 5.708 1.00 1.00 H new ATOM 0 HA ALA A 711 30.179 0.350 8.134 1.00 1.00 H new ATOM 0 HB1 ALA A 711 31.084 -1.928 8.570 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.471 -1.782 6.906 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.223 -1.727 7.218 1.00 1.00 H new ATOM 403 N LEU A 712 33.452 0.632 8.303 1.00 1.00 N ATOM 404 CA LEU A 712 34.550 1.039 9.165 1.00 1.00 C ATOM 405 C LEU A 712 34.339 2.459 9.698 1.00 1.00 C ATOM 406 O LEU A 712 34.574 2.727 10.877 1.00 1.00 O ATOM 407 CB LEU A 712 35.871 0.944 8.388 1.00 1.00 C ATOM 408 CG LEU A 712 36.209 -0.533 8.124 1.00 1.00 C ATOM 409 CD1 LEU A 712 37.408 -0.630 7.172 1.00 1.00 C ATOM 410 CD2 LEU A 712 36.547 -1.247 9.444 1.00 1.00 C ATOM 0 H LEU A 712 33.719 0.449 7.336 1.00 1.00 H new ATOM 0 HA LEU A 712 34.587 0.369 10.024 1.00 1.00 H new ATOM 0 HB2 LEU A 712 35.789 1.483 7.444 1.00 1.00 H new ATOM 0 HB3 LEU A 712 36.673 1.415 8.956 1.00 1.00 H new ATOM 0 HG LEU A 712 35.342 -1.013 7.670 1.00 1.00 H new ATOM 0 HD11 LEU A 712 37.643 -1.678 6.989 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.164 -0.142 6.228 1.00 1.00 H new ATOM 0 HD13 LEU A 712 38.270 -0.138 7.622 1.00 1.00 H new ATOM 0 HD21 LEU A 712 36.784 -2.292 9.242 1.00 1.00 H new ATOM 0 HD22 LEU A 712 37.406 -0.763 9.910 1.00 1.00 H new ATOM 0 HD23 LEU A 712 35.691 -1.193 10.117 1.00 1.00 H new ATOM 422 N LEU A 713 33.875 3.358 8.836 1.00 1.00 N ATOM 423 CA LEU A 713 33.614 4.734 9.248 1.00 1.00 C ATOM 424 C LEU A 713 32.433 4.807 10.211 1.00 1.00 C ATOM 425 O LEU A 713 32.458 5.557 11.188 1.00 1.00 O ATOM 426 CB LEU A 713 33.317 5.598 8.022 1.00 1.00 C ATOM 427 CG LEU A 713 34.591 5.794 7.198 1.00 1.00 C ATOM 428 CD1 LEU A 713 34.227 6.472 5.879 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.593 6.675 7.960 1.00 1.00 C ATOM 0 H LEU A 713 33.673 3.162 7.856 1.00 1.00 H new ATOM 0 HA LEU A 713 34.503 5.105 9.758 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.548 5.125 7.411 1.00 1.00 H new ATOM 0 HB3 LEU A 713 32.924 6.565 8.335 1.00 1.00 H new ATOM 0 HG LEU A 713 35.049 4.823 7.011 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.128 6.617 5.283 1.00 1.00 H new ATOM 0 HD12 LEU A 713 33.525 5.845 5.329 1.00 1.00 H new ATOM 0 HD13 LEU A 713 33.767 7.439 6.082 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.494 6.804 7.360 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.145 7.649 8.157 1.00 1.00 H new ATOM 0 HD23 LEU A 713 35.852 6.197 8.905 1.00 1.00 H new ATOM 441 N ILE A 714 31.401 4.018 9.928 1.00 1.00 N ATOM 442 CA ILE A 714 30.219 3.999 10.783 1.00 1.00 C ATOM 443 C ILE A 714 30.593 3.478 12.169 1.00 1.00 C ATOM 444 O ILE A 714 30.179 4.039 13.184 1.00 1.00 O ATOM 445 CB ILE A 714 29.116 3.118 10.177 1.00 1.00 C ATOM 446 CG1 ILE A 714 28.571 3.760 8.887 1.00 1.00 C ATOM 447 CG2 ILE A 714 27.975 2.973 11.188 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.445 4.751 9.213 1.00 1.00 C ATOM 0 H ILE A 714 31.358 3.391 9.124 1.00 1.00 H new ATOM 0 HA ILE A 714 29.838 5.017 10.865 1.00 1.00 H new ATOM 0 HB ILE A 714 29.532 2.139 9.939 1.00 1.00 H new ATOM 0 HG12 ILE A 714 29.376 4.275 8.362 1.00 1.00 H new ATOM 0 HG13 ILE A 714 28.198 2.985 8.217 1.00 1.00 H new ATOM 0 HG21 ILE A 714 27.189 2.349 10.763 1.00 1.00 H new ATOM 0 HG22 ILE A 714 28.353 2.510 12.099 1.00 1.00 H new ATOM 0 HG23 ILE A 714 27.569 3.957 11.422 1.00 1.00 H new ATOM 0 HD11 ILE A 714 27.072 5.195 8.290 1.00 1.00 H new ATOM 0 HD12 ILE A 714 26.633 4.226 9.717 1.00 1.00 H new ATOM 0 HD13 ILE A 714 27.829 5.537 9.864 1.00 1.00 H new ATOM 460 N TRP A 715 31.393 2.410 12.209 1.00 1.00 N ATOM 461 CA TRP A 715 31.818 1.856 13.491 1.00 1.00 C ATOM 462 C TRP A 715 32.508 2.955 14.292 1.00 1.00 C ATOM 463 O TRP A 715 32.251 3.127 15.481 1.00 1.00 O ATOM 464 CB TRP A 715 32.789 0.687 13.262 1.00 1.00 C ATOM 465 CG TRP A 715 33.178 0.028 14.559 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.608 0.234 15.779 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.238 -0.951 14.777 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.246 -0.563 16.711 1.00 1.00 N ATOM 469 CE2 TRP A 715 34.254 -1.312 16.143 1.00 1.00 C ATOM 470 CE3 TRP A 715 35.170 -1.563 13.920 1.00 1.00 C ATOM 471 CZ2 TRP A 715 35.170 -2.233 16.648 1.00 1.00 C ATOM 472 CZ3 TRP A 715 36.094 -2.493 14.424 1.00 1.00 C ATOM 473 CH2 TRP A 715 36.089 -2.832 15.783 1.00 1.00 C ATOM 0 H TRP A 715 31.751 1.923 11.388 1.00 1.00 H new ATOM 0 HA TRP A 715 30.952 1.485 14.039 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.326 -0.048 12.604 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.683 1.050 12.755 1.00 1.00 H new ATOM 0 HD1 TRP A 715 31.791 0.910 15.985 1.00 1.00 H new ATOM 0 HE1 TRP A 715 33.000 -0.593 17.700 1.00 1.00 H new ATOM 0 HE3 TRP A 715 35.175 -1.317 12.869 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 35.169 -2.481 17.699 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 36.813 -2.950 13.760 1.00 1.00 H new ATOM 0 HH2 TRP A 715 36.795 -3.556 16.162 1.00 1.00 H new ATOM 484 N LYS A 716 33.399 3.695 13.635 1.00 1.00 N ATOM 485 CA LYS A 716 34.139 4.767 14.307 1.00 1.00 C ATOM 486 C LYS A 716 33.183 5.815 14.875 1.00 1.00 C ATOM 487 O LYS A 716 33.362 6.274 16.004 1.00 1.00 O ATOM 488 CB LYS A 716 35.123 5.407 13.303 1.00 1.00 C ATOM 489 CG LYS A 716 35.848 6.690 13.816 1.00 1.00 C ATOM 490 CD LYS A 716 36.974 6.423 14.847 1.00 1.00 C ATOM 491 CE LYS A 716 36.439 6.149 16.256 1.00 1.00 C ATOM 492 NZ LYS A 716 37.566 6.255 17.226 1.00 1.00 N ATOM 0 H LYS A 716 33.626 3.576 12.648 1.00 1.00 H new ATOM 0 HA LYS A 716 34.699 4.348 15.143 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.876 4.666 13.033 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.579 5.655 12.392 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.272 7.218 12.962 1.00 1.00 H new ATOM 0 HG3 LYS A 716 35.110 7.354 14.267 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.567 5.570 14.517 1.00 1.00 H new ATOM 0 HD3 LYS A 716 37.642 7.283 14.879 1.00 1.00 H new ATOM 0 HE2 LYS A 716 35.656 6.864 16.508 1.00 1.00 H new ATOM 0 HE3 LYS A 716 35.992 5.156 16.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 37.215 6.071 18.187 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 38.298 5.557 16.985 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 37.972 7.211 17.183 1.00 1.00 H new ATOM 506 N LEU A 717 32.174 6.201 14.098 1.00 1.00 N ATOM 507 CA LEU A 717 31.227 7.209 14.569 1.00 1.00 C ATOM 508 C LEU A 717 30.490 6.731 15.817 1.00 1.00 C ATOM 509 O LEU A 717 30.314 7.490 16.765 1.00 1.00 O ATOM 510 CB LEU A 717 30.214 7.544 13.469 1.00 1.00 C ATOM 511 CG LEU A 717 30.919 8.291 12.329 1.00 1.00 C ATOM 512 CD1 LEU A 717 29.962 8.417 11.145 1.00 1.00 C ATOM 513 CD2 LEU A 717 31.349 9.694 12.787 1.00 1.00 C ATOM 0 H LEU A 717 31.993 5.841 13.161 1.00 1.00 H new ATOM 0 HA LEU A 717 31.793 8.105 14.823 1.00 1.00 H new ATOM 0 HB2 LEU A 717 29.758 6.629 13.090 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.410 8.157 13.876 1.00 1.00 H new ATOM 0 HG LEU A 717 31.807 7.731 12.036 1.00 1.00 H new ATOM 0 HD11 LEU A 717 30.457 8.947 10.332 1.00 1.00 H new ATOM 0 HD12 LEU A 717 29.670 7.423 10.806 1.00 1.00 H new ATOM 0 HD13 LEU A 717 29.075 8.971 11.452 1.00 1.00 H new ATOM 0 HD21 LEU A 717 31.847 10.208 11.965 1.00 1.00 H new ATOM 0 HD22 LEU A 717 30.470 10.263 13.091 1.00 1.00 H new ATOM 0 HD23 LEU A 717 32.035 9.607 13.630 1.00 1.00 H new ATOM 525 N LEU A 718 30.076 5.472 15.827 1.00 1.00 N ATOM 526 CA LEU A 718 29.381 4.930 16.989 1.00 1.00 C ATOM 527 C LEU A 718 30.309 4.935 18.202 1.00 1.00 C ATOM 528 O LEU A 718 29.892 5.273 19.307 1.00 1.00 O ATOM 529 CB LEU A 718 28.933 3.496 16.710 1.00 1.00 C ATOM 530 CG LEU A 718 27.873 3.481 15.607 1.00 1.00 C ATOM 531 CD1 LEU A 718 27.530 2.033 15.266 1.00 1.00 C ATOM 532 CD2 LEU A 718 26.605 4.206 16.072 1.00 1.00 C ATOM 0 H LEU A 718 30.205 4.815 15.058 1.00 1.00 H new ATOM 0 HA LEU A 718 28.509 5.551 17.193 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.789 2.891 16.411 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.530 3.050 17.619 1.00 1.00 H new ATOM 0 HG LEU A 718 28.267 3.992 14.728 1.00 1.00 H new ATOM 0 HD11 LEU A 718 26.775 2.013 14.480 1.00 1.00 H new ATOM 0 HD12 LEU A 718 28.427 1.518 14.921 1.00 1.00 H new ATOM 0 HD13 LEU A 718 27.143 1.532 16.153 1.00 1.00 H new ATOM 0 HD21 LEU A 718 25.861 4.186 15.275 1.00 1.00 H new ATOM 0 HD22 LEU A 718 26.204 3.708 16.955 1.00 1.00 H new ATOM 0 HD23 LEU A 718 26.846 5.240 16.317 1.00 1.00 H new ATOM 544 N ILE A 719 31.561 4.554 17.988 1.00 1.00 N ATOM 545 CA ILE A 719 32.530 4.506 19.078 1.00 1.00 C ATOM 546 C ILE A 719 32.756 5.889 19.686 1.00 1.00 C ATOM 547 O ILE A 719 32.830 6.043 20.905 1.00 1.00 O ATOM 548 CB ILE A 719 33.869 3.966 18.572 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.727 2.490 18.197 1.00 1.00 C ATOM 550 CG2 ILE A 719 34.916 4.102 19.681 1.00 1.00 C ATOM 551 CD1 ILE A 719 34.957 2.046 17.402 1.00 1.00 C ATOM 0 H ILE A 719 31.929 4.276 17.078 1.00 1.00 H new ATOM 0 HA ILE A 719 32.125 3.846 19.845 1.00 1.00 H new ATOM 0 HB ILE A 719 34.177 4.533 17.694 1.00 1.00 H new ATOM 0 HG12 ILE A 719 33.624 1.883 19.097 1.00 1.00 H new ATOM 0 HG13 ILE A 719 32.824 2.339 17.605 1.00 1.00 H new ATOM 0 HG21 ILE A 719 35.873 3.719 19.327 1.00 1.00 H new ATOM 0 HG22 ILE A 719 35.024 5.152 19.953 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.598 3.532 20.554 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.857 0.994 17.134 1.00 1.00 H new ATOM 0 HD12 ILE A 719 35.040 2.645 16.495 1.00 1.00 H new ATOM 0 HD13 ILE A 719 35.852 2.182 18.010 1.00 1.00 H new ATOM 563 N THR A 720 32.858 6.893 18.822 1.00 1.00 N ATOM 564 CA THR A 720 33.070 8.266 19.269 1.00 1.00 C ATOM 565 C THR A 720 31.896 8.761 20.117 1.00 1.00 C ATOM 566 O THR A 720 32.090 9.458 21.110 1.00 1.00 O ATOM 567 CB THR A 720 33.258 9.190 18.061 1.00 1.00 C ATOM 568 OG1 THR A 720 34.214 8.622 17.173 1.00 1.00 O ATOM 569 CG2 THR A 720 33.750 10.561 18.534 1.00 1.00 C ATOM 0 H THR A 720 32.798 6.783 17.810 1.00 1.00 H new ATOM 0 HA THR A 720 33.969 8.282 19.885 1.00 1.00 H new ATOM 0 HB THR A 720 32.306 9.307 17.543 1.00 1.00 H new ATOM 0 HG1 THR A 720 33.801 7.887 16.674 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.883 11.217 17.673 1.00 1.00 H new ATOM 0 HG22 THR A 720 33.016 10.997 19.212 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.701 10.447 19.054 1.00 1.00 H new ATOM 577 N ILE A 721 30.684 8.413 19.706 1.00 1.00 N ATOM 578 CA ILE A 721 29.477 8.836 20.410 1.00 1.00 C ATOM 579 C ILE A 721 29.417 8.294 21.837 1.00 1.00 C ATOM 580 O ILE A 721 28.978 8.995 22.746 1.00 1.00 O ATOM 581 CB ILE A 721 28.238 8.366 19.653 1.00 1.00 C ATOM 582 CG1 ILE A 721 28.129 9.125 18.331 1.00 1.00 C ATOM 583 CG2 ILE A 721 26.993 8.640 20.502 1.00 1.00 C ATOM 584 CD1 ILE A 721 27.106 8.427 17.435 1.00 1.00 C ATOM 0 H ILE A 721 30.508 7.835 18.884 1.00 1.00 H new ATOM 0 HA ILE A 721 29.505 9.924 20.460 1.00 1.00 H new ATOM 0 HB ILE A 721 28.317 7.298 19.452 1.00 1.00 H new ATOM 0 HG12 ILE A 721 27.827 10.156 18.514 1.00 1.00 H new ATOM 0 HG13 ILE A 721 29.100 9.160 17.837 1.00 1.00 H new ATOM 0 HG21 ILE A 721 26.105 8.306 19.965 1.00 1.00 H new ATOM 0 HG22 ILE A 721 27.070 8.101 21.446 1.00 1.00 H new ATOM 0 HG23 ILE A 721 26.916 9.709 20.700 1.00 1.00 H new ATOM 0 HD11 ILE A 721 27.024 8.964 16.490 1.00 1.00 H new ATOM 0 HD12 ILE A 721 27.428 7.403 17.244 1.00 1.00 H new ATOM 0 HD13 ILE A 721 26.136 8.415 17.931 1.00 1.00 H new ATOM 596 N HIS A 722 29.853 7.053 22.036 1.00 1.00 N ATOM 597 CA HIS A 722 29.823 6.461 23.374 1.00 1.00 C ATOM 598 C HIS A 722 30.511 7.375 24.384 1.00 1.00 C ATOM 599 O HIS A 722 29.993 7.580 25.480 1.00 1.00 O ATOM 600 CB HIS A 722 30.530 5.101 23.356 1.00 1.00 C ATOM 601 CG HIS A 722 29.649 4.083 22.689 1.00 1.00 C ATOM 602 ND1 HIS A 722 29.421 4.092 21.327 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.941 3.012 23.180 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.608 3.062 21.040 1.00 1.00 C ATOM 605 NE2 HIS A 722 28.284 2.369 22.135 1.00 1.00 N ATOM 0 H HIS A 722 30.225 6.446 21.305 1.00 1.00 H new ATOM 0 HA HIS A 722 28.782 6.331 23.669 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.478 5.180 22.824 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.760 4.786 24.374 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.802 4.761 20.658 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.901 2.715 24.218 1.00 1.00 H new ATOM 0 HE1 HIS A 722 28.259 2.823 20.046 1.00 1.00 H new ATOM 613 N ASP A 723 31.684 7.897 24.006 1.00 1.00 N ATOM 614 CA ASP A 723 32.472 8.782 24.874 1.00 1.00 C ATOM 615 C ASP A 723 31.632 9.400 25.991 1.00 1.00 C ATOM 616 O ASP A 723 30.964 10.418 25.795 1.00 1.00 O ATOM 617 CB ASP A 723 33.111 9.891 24.037 1.00 1.00 C ATOM 618 CG ASP A 723 34.255 9.323 23.199 1.00 1.00 C ATOM 619 OD1 ASP A 723 34.590 8.165 23.393 1.00 1.00 O ATOM 620 OD2 ASP A 723 34.783 10.057 22.380 1.00 1.00 O ATOM 0 H ASP A 723 32.112 7.720 23.097 1.00 1.00 H new ATOM 0 HA ASP A 723 33.244 8.173 25.344 1.00 1.00 H new ATOM 0 HB2 ASP A 723 32.363 10.343 23.386 1.00 1.00 H new ATOM 0 HB3 ASP A 723 33.485 10.680 24.689 1.00 1.00 H new ATOM 625 N ARG A 724 31.669 8.766 27.160 1.00 1.00 N ATOM 626 CA ARG A 724 30.912 9.238 28.314 1.00 1.00 C ATOM 627 C ARG A 724 31.447 10.582 28.794 1.00 1.00 C ATOM 628 O ARG A 724 30.688 11.460 29.200 1.00 1.00 O ATOM 629 CB ARG A 724 31.021 8.229 29.454 1.00 1.00 C ATOM 630 CG ARG A 724 30.290 6.942 29.079 1.00 1.00 C ATOM 631 CD ARG A 724 30.418 5.949 30.230 1.00 1.00 C ATOM 632 NE ARG A 724 31.815 5.576 30.424 1.00 1.00 N ATOM 633 CZ ARG A 724 32.167 4.758 31.408 1.00 1.00 C ATOM 634 NH1 ARG A 724 31.260 4.299 32.224 1.00 1.00 N ATOM 635 NH2 ARG A 724 33.418 4.422 31.567 1.00 1.00 N ATOM 0 H ARG A 724 32.216 7.923 27.332 1.00 1.00 H new ATOM 0 HA ARG A 724 29.870 9.352 28.014 1.00 1.00 H new ATOM 0 HB2 ARG A 724 32.069 8.015 29.663 1.00 1.00 H new ATOM 0 HB3 ARG A 724 30.594 8.648 30.365 1.00 1.00 H new ATOM 0 HG2 ARG A 724 29.240 7.150 28.876 1.00 1.00 H new ATOM 0 HG3 ARG A 724 30.713 6.520 28.168 1.00 1.00 H new ATOM 0 HD2 ARG A 724 30.022 6.389 31.145 1.00 1.00 H new ATOM 0 HD3 ARG A 724 29.823 5.060 30.020 1.00 1.00 H new ATOM 0 HE ARG A 724 32.528 5.948 29.797 1.00 1.00 H new ATOM 0 HH11 ARG A 724 30.284 4.569 32.105 1.00 1.00 H new ATOM 0 HH12 ARG A 724 31.527 3.670 32.981 1.00 1.00 H new ATOM 0 HH21 ARG A 724 34.129 4.788 30.934 1.00 1.00 H new ATOM 0 HH22 ARG A 724 33.685 3.793 32.324 1.00 1.00 H new ATOM 649 N LYS A 725 32.767 10.717 28.755 1.00 1.00 N ATOM 650 CA LYS A 725 33.420 11.940 29.196 1.00 1.00 C ATOM 651 C LYS A 725 32.974 13.120 28.351 1.00 1.00 C ATOM 652 O LYS A 725 32.640 14.183 28.878 1.00 1.00 O ATOM 653 CB LYS A 725 34.934 11.776 29.089 1.00 1.00 C ATOM 654 CG LYS A 725 35.630 13.006 29.674 1.00 1.00 C ATOM 655 CD LYS A 725 37.140 12.767 29.703 1.00 1.00 C ATOM 656 CE LYS A 725 37.834 13.977 30.325 1.00 1.00 C ATOM 657 NZ LYS A 725 39.303 13.734 30.371 1.00 1.00 N ATOM 0 H LYS A 725 33.405 9.994 28.422 1.00 1.00 H new ATOM 0 HA LYS A 725 33.142 12.131 30.233 1.00 1.00 H new ATOM 0 HB2 LYS A 725 35.251 10.880 29.622 1.00 1.00 H new ATOM 0 HB3 LYS A 725 35.222 11.645 28.046 1.00 1.00 H new ATOM 0 HG2 LYS A 725 35.401 13.887 29.074 1.00 1.00 H new ATOM 0 HG3 LYS A 725 35.262 13.202 30.681 1.00 1.00 H new ATOM 0 HD2 LYS A 725 37.366 11.869 30.278 1.00 1.00 H new ATOM 0 HD3 LYS A 725 37.512 12.600 28.692 1.00 1.00 H new ATOM 0 HE2 LYS A 725 37.620 14.873 29.742 1.00 1.00 H new ATOM 0 HE3 LYS A 725 37.451 14.153 31.330 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 39.778 14.557 30.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 39.497 12.889 30.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 39.661 13.586 29.406 1.00 1.00 H new ATOM 671 N GLU A 726 32.966 12.933 27.039 1.00 1.00 N ATOM 672 CA GLU A 726 32.553 14.002 26.145 1.00 1.00 C ATOM 673 C GLU A 726 31.087 14.351 26.391 1.00 1.00 C ATOM 674 O GLU A 726 30.715 15.523 26.395 1.00 1.00 O ATOM 675 CB GLU A 726 32.749 13.581 24.688 1.00 1.00 C ATOM 676 CG GLU A 726 34.243 13.434 24.381 1.00 1.00 C ATOM 677 CD GLU A 726 34.921 14.803 24.376 1.00 1.00 C ATOM 678 OE1 GLU A 726 34.227 15.789 24.185 1.00 1.00 O ATOM 679 OE2 GLU A 726 36.128 14.843 24.552 1.00 1.00 O ATOM 0 H GLU A 726 33.236 12.065 26.577 1.00 1.00 H new ATOM 0 HA GLU A 726 33.168 14.880 26.343 1.00 1.00 H new ATOM 0 HB2 GLU A 726 32.237 12.637 24.502 1.00 1.00 H new ATOM 0 HB3 GLU A 726 32.304 14.322 24.024 1.00 1.00 H new ATOM 0 HG2 GLU A 726 34.713 12.791 25.125 1.00 1.00 H new ATOM 0 HG3 GLU A 726 34.376 12.951 23.413 1.00 1.00 H new ATOM 686 N PHE A 727 30.266 13.326 26.601 1.00 1.00 N ATOM 687 CA PHE A 727 28.844 13.542 26.851 1.00 1.00 C ATOM 688 C PHE A 727 28.597 13.835 28.328 1.00 1.00 C ATOM 689 O PHE A 727 28.302 14.977 28.643 1.00 1.00 O ATOM 690 CB PHE A 727 28.041 12.309 26.428 1.00 1.00 C ATOM 691 CG PHE A 727 26.578 12.511 26.763 1.00 1.00 C ATOM 692 CD1 PHE A 727 25.846 13.518 26.124 1.00 1.00 C ATOM 693 CD2 PHE A 727 25.954 11.690 27.714 1.00 1.00 C ATOM 694 CE1 PHE A 727 24.493 13.708 26.433 1.00 1.00 C ATOM 695 CE2 PHE A 727 24.600 11.882 28.021 1.00 1.00 C ATOM 696 CZ PHE A 727 23.870 12.890 27.381 1.00 1.00 C ATOM 697 OXT PHE A 727 28.707 12.916 29.123 1.00 1.00 O ATOM 0 H PHE A 727 30.556 12.348 26.603 1.00 1.00 H new ATOM 0 HA PHE A 727 28.519 14.401 26.264 1.00 1.00 H new ATOM 0 HB2 PHE A 727 28.158 12.137 25.358 1.00 1.00 H new ATOM 0 HB3 PHE A 727 28.421 11.423 26.937 1.00 1.00 H new ATOM 0 HD1 PHE A 727 26.325 14.150 25.391 1.00 1.00 H new ATOM 0 HD2 PHE A 727 26.516 10.911 28.209 1.00 1.00 H new ATOM 0 HE1 PHE A 727 23.931 14.487 25.939 1.00 1.00 H new ATOM 0 HE2 PHE A 727 24.119 11.251 28.753 1.00 1.00 H new ATOM 0 HZ PHE A 727 22.827 13.036 27.619 1.00 1.00 H new TER 707 PHE A 727