USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 368 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 180:sc= 0 USER MOD Single : A 689 LYS NZ :NH3+ 159:sc= -0.103 (180deg=-0.57) USER MOD Single : A 699 SER OG : rot -1:sc= -0.352 USER MOD Single : A 701 MET CE :methyl -178:sc= 0 (180deg=-0.00366) USER MOD Single : A 720 THR OG1 : rot 62:sc= 1.15 USER MOD Single : A 722 HIS : no HE2:sc= 0.901 K(o=0.9,f=-4.8!) USER MOD Single : A 725 LYS NZ :NH3+ -163:sc= -0.0328 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 46.994 -34.406 -9.494 1.00 1.00 N ATOM 2 CA PRO A 685 46.662 -33.279 -8.587 1.00 1.00 C ATOM 3 C PRO A 685 47.736 -32.201 -8.699 1.00 1.00 C ATOM 4 O PRO A 685 48.874 -32.398 -8.273 1.00 1.00 O ATOM 5 CB PRO A 685 46.601 -33.816 -7.161 1.00 1.00 C ATOM 6 CG PRO A 685 46.628 -35.305 -7.305 1.00 1.00 C ATOM 7 CD PRO A 685 47.254 -35.620 -8.674 1.00 1.00 C ATOM 0 HA PRO A 685 45.702 -32.841 -8.858 1.00 1.00 H new ATOM 0 HB2 PRO A 685 47.445 -33.462 -6.570 1.00 1.00 H new ATOM 0 HB3 PRO A 685 45.695 -33.485 -6.653 1.00 1.00 H new ATOM 0 HG2 PRO A 685 47.210 -35.758 -6.503 1.00 1.00 H new ATOM 0 HG3 PRO A 685 45.621 -35.716 -7.239 1.00 1.00 H new ATOM 0 HD2 PRO A 685 48.322 -35.817 -8.585 1.00 1.00 H new ATOM 0 HD3 PRO A 685 46.803 -36.505 -9.122 1.00 1.00 H new ATOM 17 N GLU A 686 47.364 -31.061 -9.273 1.00 1.00 N ATOM 18 CA GLU A 686 48.303 -29.958 -9.434 1.00 1.00 C ATOM 19 C GLU A 686 48.710 -29.397 -8.074 1.00 1.00 C ATOM 20 O GLU A 686 49.869 -29.046 -7.860 1.00 1.00 O ATOM 21 CB GLU A 686 47.668 -28.853 -10.280 1.00 1.00 C ATOM 22 CG GLU A 686 47.484 -29.350 -11.716 1.00 1.00 C ATOM 23 CD GLU A 686 46.771 -28.289 -12.548 1.00 1.00 C ATOM 24 OE1 GLU A 686 46.475 -27.238 -12.005 1.00 1.00 O ATOM 25 OE2 GLU A 686 46.531 -28.544 -13.717 1.00 1.00 O ATOM 0 H GLU A 686 46.427 -30.878 -9.632 1.00 1.00 H new ATOM 0 HA GLU A 686 49.194 -30.332 -9.938 1.00 1.00 H new ATOM 0 HB2 GLU A 686 46.705 -28.565 -9.858 1.00 1.00 H new ATOM 0 HB3 GLU A 686 48.299 -27.964 -10.270 1.00 1.00 H new ATOM 0 HG2 GLU A 686 48.454 -29.579 -12.157 1.00 1.00 H new ATOM 0 HG3 GLU A 686 46.907 -30.274 -11.718 1.00 1.00 H new ATOM 32 N SER A 687 47.751 -29.319 -7.157 1.00 1.00 N ATOM 33 CA SER A 687 48.029 -28.803 -5.822 1.00 1.00 C ATOM 34 C SER A 687 48.892 -27.545 -5.896 1.00 1.00 C ATOM 35 O SER A 687 49.993 -27.505 -5.349 1.00 1.00 O ATOM 36 CB SER A 687 48.753 -29.866 -4.995 1.00 1.00 C ATOM 37 OG SER A 687 47.881 -30.968 -4.780 1.00 1.00 O ATOM 0 H SER A 687 46.784 -29.604 -7.312 1.00 1.00 H new ATOM 0 HA SER A 687 47.080 -28.551 -5.348 1.00 1.00 H new ATOM 0 HB2 SER A 687 49.653 -30.196 -5.513 1.00 1.00 H new ATOM 0 HB3 SER A 687 49.070 -29.447 -4.040 1.00 1.00 H new ATOM 0 HG SER A 687 48.343 -31.652 -4.252 1.00 1.00 H new ATOM 43 N PRO A 688 48.412 -26.525 -6.560 1.00 1.00 N ATOM 44 CA PRO A 688 49.149 -25.235 -6.711 1.00 1.00 C ATOM 45 C PRO A 688 49.187 -24.430 -5.412 1.00 1.00 C ATOM 46 O PRO A 688 48.305 -24.563 -4.564 1.00 1.00 O ATOM 47 CB PRO A 688 48.362 -24.512 -7.803 1.00 1.00 C ATOM 48 CG PRO A 688 46.969 -25.005 -7.641 1.00 1.00 C ATOM 49 CD PRO A 688 47.101 -26.474 -7.232 1.00 1.00 C ATOM 0 HA PRO A 688 50.199 -25.380 -6.963 1.00 1.00 H new ATOM 0 HB2 PRO A 688 48.417 -23.430 -7.683 1.00 1.00 H new ATOM 0 HB3 PRO A 688 48.753 -24.743 -8.794 1.00 1.00 H new ATOM 0 HG2 PRO A 688 46.436 -24.433 -6.882 1.00 1.00 H new ATOM 0 HG3 PRO A 688 46.407 -24.905 -8.569 1.00 1.00 H new ATOM 0 HD2 PRO A 688 46.295 -26.779 -6.564 1.00 1.00 H new ATOM 0 HD3 PRO A 688 47.067 -27.137 -8.097 1.00 1.00 H new ATOM 57 N LYS A 689 50.213 -23.595 -5.272 1.00 1.00 N ATOM 58 CA LYS A 689 50.362 -22.768 -4.078 1.00 1.00 C ATOM 59 C LYS A 689 50.132 -21.297 -4.419 1.00 1.00 C ATOM 60 O LYS A 689 50.712 -20.774 -5.369 1.00 1.00 O ATOM 61 CB LYS A 689 51.765 -22.949 -3.494 1.00 1.00 C ATOM 62 CG LYS A 689 51.894 -22.149 -2.195 1.00 1.00 C ATOM 63 CD LYS A 689 53.284 -22.371 -1.596 1.00 1.00 C ATOM 64 CE LYS A 689 53.411 -21.580 -0.293 1.00 1.00 C ATOM 65 NZ LYS A 689 52.425 -22.093 0.700 1.00 1.00 N ATOM 0 H LYS A 689 50.950 -23.473 -5.967 1.00 1.00 H new ATOM 0 HA LYS A 689 49.621 -23.079 -3.342 1.00 1.00 H new ATOM 0 HB2 LYS A 689 51.955 -24.005 -3.302 1.00 1.00 H new ATOM 0 HB3 LYS A 689 52.514 -22.616 -4.213 1.00 1.00 H new ATOM 0 HG2 LYS A 689 51.736 -21.089 -2.391 1.00 1.00 H new ATOM 0 HG3 LYS A 689 51.127 -22.460 -1.486 1.00 1.00 H new ATOM 0 HD2 LYS A 689 53.445 -23.432 -1.407 1.00 1.00 H new ATOM 0 HD3 LYS A 689 54.051 -22.054 -2.303 1.00 1.00 H new ATOM 0 HE2 LYS A 689 54.422 -21.671 0.103 1.00 1.00 H new ATOM 0 HE3 LYS A 689 53.236 -20.520 -0.480 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 52.729 -21.829 1.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 51.490 -21.680 0.507 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 52.367 -23.129 0.628 1.00 1.00 H new ATOM 79 N GLY A 690 49.282 -20.640 -3.637 1.00 1.00 N ATOM 80 CA GLY A 690 48.980 -19.232 -3.867 1.00 1.00 C ATOM 81 C GLY A 690 47.614 -19.071 -4.524 1.00 1.00 C ATOM 82 O GLY A 690 47.518 -18.798 -5.722 1.00 1.00 O ATOM 0 H GLY A 690 48.793 -21.056 -2.844 1.00 1.00 H new ATOM 0 HA2 GLY A 690 48.999 -18.692 -2.920 1.00 1.00 H new ATOM 0 HA3 GLY A 690 49.748 -18.790 -4.502 1.00 1.00 H new ATOM 86 N PRO A 691 46.564 -19.234 -3.763 1.00 1.00 N ATOM 87 CA PRO A 691 45.166 -19.107 -4.273 1.00 1.00 C ATOM 88 C PRO A 691 44.887 -17.706 -4.802 1.00 1.00 C ATOM 89 O PRO A 691 45.391 -16.719 -4.265 1.00 1.00 O ATOM 90 CB PRO A 691 44.289 -19.402 -3.050 1.00 1.00 C ATOM 91 CG PRO A 691 45.181 -20.060 -2.051 1.00 1.00 C ATOM 92 CD PRO A 691 46.595 -19.559 -2.333 1.00 1.00 C ATOM 0 HA PRO A 691 44.975 -19.783 -5.106 1.00 1.00 H new ATOM 0 HB2 PRO A 691 43.862 -18.484 -2.646 1.00 1.00 H new ATOM 0 HB3 PRO A 691 43.455 -20.052 -3.316 1.00 1.00 H new ATOM 0 HG2 PRO A 691 44.876 -19.809 -1.035 1.00 1.00 H new ATOM 0 HG3 PRO A 691 45.129 -21.145 -2.141 1.00 1.00 H new ATOM 0 HD2 PRO A 691 46.840 -18.686 -1.728 1.00 1.00 H new ATOM 0 HD3 PRO A 691 47.343 -20.320 -2.110 1.00 1.00 H new ATOM 100 N ASP A 692 44.069 -17.624 -5.845 1.00 1.00 N ATOM 101 CA ASP A 692 43.718 -16.333 -6.424 1.00 1.00 C ATOM 102 C ASP A 692 42.404 -15.827 -5.833 1.00 1.00 C ATOM 103 O ASP A 692 42.005 -14.684 -6.060 1.00 1.00 O ATOM 104 CB ASP A 692 43.583 -16.468 -7.942 1.00 1.00 C ATOM 105 CG ASP A 692 44.947 -16.737 -8.572 1.00 1.00 C ATOM 106 OD1 ASP A 692 45.942 -16.540 -7.897 1.00 1.00 O ATOM 107 OD2 ASP A 692 44.973 -17.139 -9.724 1.00 1.00 O ATOM 0 H ASP A 692 43.640 -18.428 -6.303 1.00 1.00 H new ATOM 0 HA ASP A 692 44.507 -15.617 -6.192 1.00 1.00 H new ATOM 0 HB2 ASP A 692 42.897 -17.280 -8.182 1.00 1.00 H new ATOM 0 HB3 ASP A 692 43.156 -15.556 -8.359 1.00 1.00 H new ATOM 112 N ILE A 693 41.739 -16.688 -5.069 1.00 1.00 N ATOM 113 CA ILE A 693 40.471 -16.346 -4.426 1.00 1.00 C ATOM 114 C ILE A 693 40.689 -15.258 -3.390 1.00 1.00 C ATOM 115 O ILE A 693 39.904 -14.312 -3.269 1.00 1.00 O ATOM 116 CB ILE A 693 39.883 -17.583 -3.745 1.00 1.00 C ATOM 117 CG1 ILE A 693 39.475 -18.603 -4.813 1.00 1.00 C ATOM 118 CG2 ILE A 693 38.655 -17.181 -2.917 1.00 1.00 C ATOM 119 CD1 ILE A 693 39.141 -19.940 -4.149 1.00 1.00 C ATOM 0 H ILE A 693 42.060 -17.637 -4.878 1.00 1.00 H new ATOM 0 HA ILE A 693 39.778 -15.986 -5.187 1.00 1.00 H new ATOM 0 HB ILE A 693 40.629 -18.026 -3.086 1.00 1.00 H new ATOM 0 HG12 ILE A 693 38.612 -18.236 -5.369 1.00 1.00 H new ATOM 0 HG13 ILE A 693 40.284 -18.735 -5.531 1.00 1.00 H new ATOM 0 HG21 ILE A 693 38.238 -18.064 -2.433 1.00 1.00 H new ATOM 0 HG22 ILE A 693 38.949 -16.456 -2.158 1.00 1.00 H new ATOM 0 HG23 ILE A 693 37.905 -16.737 -3.571 1.00 1.00 H new ATOM 0 HD11 ILE A 693 38.851 -20.663 -4.912 1.00 1.00 H new ATOM 0 HD12 ILE A 693 40.016 -20.309 -3.613 1.00 1.00 H new ATOM 0 HD13 ILE A 693 38.318 -19.803 -3.448 1.00 1.00 H new ATOM 131 N LEU A 694 41.763 -15.423 -2.627 1.00 1.00 N ATOM 132 CA LEU A 694 42.105 -14.474 -1.588 1.00 1.00 C ATOM 133 C LEU A 694 42.448 -13.136 -2.210 1.00 1.00 C ATOM 134 O LEU A 694 42.154 -12.082 -1.649 1.00 1.00 O ATOM 135 CB LEU A 694 43.280 -14.976 -0.736 1.00 1.00 C ATOM 136 CG LEU A 694 42.829 -16.147 0.152 1.00 1.00 C ATOM 137 CD1 LEU A 694 44.049 -16.793 0.811 1.00 1.00 C ATOM 138 CD2 LEU A 694 41.878 -15.649 1.253 1.00 1.00 C ATOM 0 H LEU A 694 42.409 -16.208 -2.713 1.00 1.00 H new ATOM 0 HA LEU A 694 41.241 -14.361 -0.933 1.00 1.00 H new ATOM 0 HB2 LEU A 694 44.098 -15.294 -1.383 1.00 1.00 H new ATOM 0 HB3 LEU A 694 43.661 -14.165 -0.115 1.00 1.00 H new ATOM 0 HG LEU A 694 42.311 -16.875 -0.472 1.00 1.00 H new ATOM 0 HD11 LEU A 694 43.726 -17.623 1.440 1.00 1.00 H new ATOM 0 HD12 LEU A 694 44.725 -17.163 0.041 1.00 1.00 H new ATOM 0 HD13 LEU A 694 44.566 -16.054 1.423 1.00 1.00 H new ATOM 0 HD21 LEU A 694 41.568 -16.490 1.873 1.00 1.00 H new ATOM 0 HD22 LEU A 694 42.391 -14.912 1.871 1.00 1.00 H new ATOM 0 HD23 LEU A 694 41.000 -15.192 0.796 1.00 1.00 H new ATOM 150 N VAL A 695 43.113 -13.187 -3.365 1.00 1.00 N ATOM 151 CA VAL A 695 43.529 -11.966 -4.053 1.00 1.00 C ATOM 152 C VAL A 695 42.301 -11.201 -4.520 1.00 1.00 C ATOM 153 O VAL A 695 42.210 -9.974 -4.393 1.00 1.00 O ATOM 154 CB VAL A 695 44.432 -12.303 -5.248 1.00 1.00 C ATOM 155 CG1 VAL A 695 44.661 -11.034 -6.067 1.00 1.00 C ATOM 156 CG2 VAL A 695 45.783 -12.837 -4.745 1.00 1.00 C ATOM 0 H VAL A 695 43.373 -14.052 -3.839 1.00 1.00 H new ATOM 0 HA VAL A 695 44.097 -11.345 -3.360 1.00 1.00 H new ATOM 0 HB VAL A 695 43.955 -13.064 -5.865 1.00 1.00 H new ATOM 0 HG11 VAL A 695 45.302 -11.262 -6.919 1.00 1.00 H new ATOM 0 HG12 VAL A 695 43.704 -10.654 -6.424 1.00 1.00 H new ATOM 0 HG13 VAL A 695 45.141 -10.280 -5.443 1.00 1.00 H new ATOM 0 HG21 VAL A 695 46.420 -13.075 -5.597 1.00 1.00 H new ATOM 0 HG22 VAL A 695 46.268 -12.079 -4.130 1.00 1.00 H new ATOM 0 HG23 VAL A 695 45.620 -13.737 -4.151 1.00 1.00 H new ATOM 166 N VAL A 696 41.359 -11.955 -5.063 1.00 1.00 N ATOM 167 CA VAL A 696 40.112 -11.394 -5.556 1.00 1.00 C ATOM 168 C VAL A 696 39.303 -10.834 -4.389 1.00 1.00 C ATOM 169 O VAL A 696 38.629 -9.807 -4.510 1.00 1.00 O ATOM 170 CB VAL A 696 39.298 -12.456 -6.298 1.00 1.00 C ATOM 171 CG1 VAL A 696 37.914 -11.890 -6.622 1.00 1.00 C ATOM 172 CG2 VAL A 696 40.016 -12.842 -7.597 1.00 1.00 C ATOM 0 H VAL A 696 41.436 -12.966 -5.174 1.00 1.00 H new ATOM 0 HA VAL A 696 40.342 -10.589 -6.254 1.00 1.00 H new ATOM 0 HB VAL A 696 39.194 -13.342 -5.672 1.00 1.00 H new ATOM 0 HG11 VAL A 696 37.328 -12.642 -7.151 1.00 1.00 H new ATOM 0 HG12 VAL A 696 37.406 -11.619 -5.696 1.00 1.00 H new ATOM 0 HG13 VAL A 696 38.021 -11.005 -7.250 1.00 1.00 H new ATOM 0 HG21 VAL A 696 39.434 -13.599 -8.123 1.00 1.00 H new ATOM 0 HG22 VAL A 696 40.122 -11.961 -8.230 1.00 1.00 H new ATOM 0 HG23 VAL A 696 41.003 -13.241 -7.362 1.00 1.00 H new ATOM 182 N LEU A 697 39.319 -11.559 -3.270 1.00 1.00 N ATOM 183 CA LEU A 697 38.540 -11.148 -2.100 1.00 1.00 C ATOM 184 C LEU A 697 39.029 -9.813 -1.536 1.00 1.00 C ATOM 185 O LEU A 697 38.224 -8.948 -1.176 1.00 1.00 O ATOM 186 CB LEU A 697 38.620 -12.236 -1.012 1.00 1.00 C ATOM 187 CG LEU A 697 37.812 -11.818 0.225 1.00 1.00 C ATOM 188 CD1 LEU A 697 36.348 -11.573 -0.158 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.893 -12.932 1.269 1.00 1.00 C ATOM 0 H LEU A 697 39.853 -12.420 -3.148 1.00 1.00 H new ATOM 0 HA LEU A 697 37.505 -11.017 -2.416 1.00 1.00 H new ATOM 0 HB2 LEU A 697 38.237 -13.179 -1.403 1.00 1.00 H new ATOM 0 HB3 LEU A 697 39.660 -12.405 -0.734 1.00 1.00 H new ATOM 0 HG LEU A 697 38.224 -10.895 0.634 1.00 1.00 H new ATOM 0 HD11 LEU A 697 35.785 -11.277 0.727 1.00 1.00 H new ATOM 0 HD12 LEU A 697 36.295 -10.780 -0.904 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.922 -12.488 -0.570 1.00 1.00 H new ATOM 0 HD21 LEU A 697 37.322 -12.645 2.152 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.480 -13.851 0.853 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.934 -13.095 1.547 1.00 1.00 H new ATOM 201 N LEU A 698 40.347 -9.646 -1.451 1.00 1.00 N ATOM 202 CA LEU A 698 40.913 -8.403 -0.926 1.00 1.00 C ATOM 203 C LEU A 698 40.571 -7.261 -1.863 1.00 1.00 C ATOM 204 O LEU A 698 40.209 -6.162 -1.431 1.00 1.00 O ATOM 205 CB LEU A 698 42.441 -8.518 -0.756 1.00 1.00 C ATOM 206 CG LEU A 698 42.818 -9.105 0.625 1.00 1.00 C ATOM 207 CD1 LEU A 698 42.768 -8.000 1.681 1.00 1.00 C ATOM 208 CD2 LEU A 698 41.866 -10.238 1.042 1.00 1.00 C ATOM 0 H LEU A 698 41.035 -10.344 -1.734 1.00 1.00 H new ATOM 0 HA LEU A 698 40.483 -8.209 0.057 1.00 1.00 H new ATOM 0 HB2 LEU A 698 42.849 -9.151 -1.544 1.00 1.00 H new ATOM 0 HB3 LEU A 698 42.895 -7.534 -0.870 1.00 1.00 H new ATOM 0 HG LEU A 698 43.825 -9.515 0.547 1.00 1.00 H new ATOM 0 HD11 LEU A 698 43.034 -8.414 2.654 1.00 1.00 H new ATOM 0 HD12 LEU A 698 43.474 -7.212 1.417 1.00 1.00 H new ATOM 0 HD13 LEU A 698 41.761 -7.585 1.726 1.00 1.00 H new ATOM 0 HD21 LEU A 698 42.164 -10.624 2.017 1.00 1.00 H new ATOM 0 HD22 LEU A 698 40.847 -9.855 1.100 1.00 1.00 H new ATOM 0 HD23 LEU A 698 41.911 -11.040 0.305 1.00 1.00 H new ATOM 220 N SER A 699 40.688 -7.533 -3.160 1.00 1.00 N ATOM 221 CA SER A 699 40.392 -6.530 -4.166 1.00 1.00 C ATOM 222 C SER A 699 38.927 -6.137 -4.081 1.00 1.00 C ATOM 223 O SER A 699 38.563 -4.977 -4.295 1.00 1.00 O ATOM 224 CB SER A 699 40.725 -7.082 -5.557 1.00 1.00 C ATOM 225 OG SER A 699 40.011 -8.295 -5.758 1.00 1.00 O ATOM 0 H SER A 699 40.984 -8.435 -3.533 1.00 1.00 H new ATOM 0 HA SER A 699 41.000 -5.643 -3.989 1.00 1.00 H new ATOM 0 HB2 SER A 699 40.456 -6.356 -6.324 1.00 1.00 H new ATOM 0 HB3 SER A 699 41.797 -7.257 -5.645 1.00 1.00 H new ATOM 0 HG SER A 699 39.493 -8.507 -4.954 1.00 1.00 H new ATOM 231 N VAL A 700 38.087 -7.117 -3.755 1.00 1.00 N ATOM 232 CA VAL A 700 36.653 -6.870 -3.630 1.00 1.00 C ATOM 233 C VAL A 700 36.403 -5.950 -2.451 1.00 1.00 C ATOM 234 O VAL A 700 35.621 -5.000 -2.533 1.00 1.00 O ATOM 235 CB VAL A 700 35.901 -8.191 -3.438 1.00 1.00 C ATOM 236 CG1 VAL A 700 34.433 -7.904 -3.115 1.00 1.00 C ATOM 237 CG2 VAL A 700 35.981 -9.018 -4.726 1.00 1.00 C ATOM 0 H VAL A 700 38.371 -8.080 -3.574 1.00 1.00 H new ATOM 0 HA VAL A 700 36.289 -6.396 -4.542 1.00 1.00 H new ATOM 0 HB VAL A 700 36.354 -8.746 -2.617 1.00 1.00 H new ATOM 0 HG11 VAL A 700 33.900 -8.845 -2.979 1.00 1.00 H new ATOM 0 HG12 VAL A 700 34.370 -7.315 -2.200 1.00 1.00 H new ATOM 0 HG13 VAL A 700 33.982 -7.347 -3.936 1.00 1.00 H new ATOM 0 HG21 VAL A 700 35.446 -9.958 -4.589 1.00 1.00 H new ATOM 0 HG22 VAL A 700 35.529 -8.459 -5.546 1.00 1.00 H new ATOM 0 HG23 VAL A 700 37.025 -9.226 -4.961 1.00 1.00 H new ATOM 247 N MET A 701 37.078 -6.245 -1.350 1.00 1.00 N ATOM 248 CA MET A 701 36.935 -5.447 -0.147 1.00 1.00 C ATOM 249 C MET A 701 37.391 -4.027 -0.430 1.00 1.00 C ATOM 250 O MET A 701 36.784 -3.060 0.039 1.00 1.00 O ATOM 251 CB MET A 701 37.769 -6.050 0.991 1.00 1.00 C ATOM 252 CG MET A 701 37.585 -5.221 2.266 1.00 1.00 C ATOM 253 SD MET A 701 38.501 -5.995 3.622 1.00 1.00 S ATOM 254 CE MET A 701 39.610 -4.608 3.964 1.00 1.00 C ATOM 0 H MET A 701 37.727 -7.028 -1.267 1.00 1.00 H new ATOM 0 HA MET A 701 35.888 -5.438 0.157 1.00 1.00 H new ATOM 0 HB2 MET A 701 37.465 -7.081 1.170 1.00 1.00 H new ATOM 0 HB3 MET A 701 38.822 -6.073 0.710 1.00 1.00 H new ATOM 0 HG2 MET A 701 37.941 -4.203 2.106 1.00 1.00 H new ATOM 0 HG3 MET A 701 36.527 -5.153 2.519 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.302 -4.883 4.760 1.00 1.00 H new ATOM 0 HE2 MET A 701 40.173 -4.361 3.064 1.00 1.00 H new ATOM 0 HE3 MET A 701 39.025 -3.742 4.275 1.00 1.00 H new ATOM 264 N GLY A 702 38.464 -3.908 -1.206 1.00 1.00 N ATOM 265 CA GLY A 702 38.993 -2.595 -1.552 1.00 1.00 C ATOM 266 C GLY A 702 37.979 -1.813 -2.378 1.00 1.00 C ATOM 267 O GLY A 702 37.787 -0.613 -2.175 1.00 1.00 O ATOM 0 H GLY A 702 38.978 -4.695 -1.602 1.00 1.00 H new ATOM 0 HA2 GLY A 702 39.235 -2.043 -0.644 1.00 1.00 H new ATOM 0 HA3 GLY A 702 39.920 -2.706 -2.114 1.00 1.00 H new ATOM 271 N ALA A 703 37.335 -2.505 -3.315 1.00 1.00 N ATOM 272 CA ALA A 703 36.343 -1.869 -4.175 1.00 1.00 C ATOM 273 C ALA A 703 35.164 -1.355 -3.355 1.00 1.00 C ATOM 274 O ALA A 703 34.644 -0.271 -3.612 1.00 1.00 O ATOM 275 CB ALA A 703 35.838 -2.872 -5.215 1.00 1.00 C ATOM 0 H ALA A 703 37.481 -3.498 -3.497 1.00 1.00 H new ATOM 0 HA ALA A 703 36.816 -1.025 -4.676 1.00 1.00 H new ATOM 0 HB1 ALA A 703 35.097 -2.391 -5.854 1.00 1.00 H new ATOM 0 HB2 ALA A 703 36.674 -3.217 -5.824 1.00 1.00 H new ATOM 0 HB3 ALA A 703 35.383 -3.723 -4.709 1.00 1.00 H new ATOM 281 N ILE A 704 34.749 -2.141 -2.366 1.00 1.00 N ATOM 282 CA ILE A 704 33.625 -1.748 -1.523 1.00 1.00 C ATOM 283 C ILE A 704 33.960 -0.473 -0.757 1.00 1.00 C ATOM 284 O ILE A 704 33.132 0.433 -0.655 1.00 1.00 O ATOM 285 CB ILE A 704 33.295 -2.872 -0.538 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.728 -4.071 -1.308 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.258 -2.379 0.472 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.659 -5.289 -0.385 1.00 1.00 C ATOM 0 H ILE A 704 35.167 -3.041 -2.131 1.00 1.00 H new ATOM 0 HA ILE A 704 32.759 -1.561 -2.158 1.00 1.00 H new ATOM 0 HB ILE A 704 34.200 -3.171 -0.010 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.735 -3.834 -1.689 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.356 -4.292 -2.171 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.023 -3.180 1.173 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.659 -1.525 1.018 1.00 1.00 H new ATOM 0 HG23 ILE A 704 31.351 -2.080 -0.054 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.256 -6.140 -0.935 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.659 -5.530 -0.026 1.00 1.00 H new ATOM 0 HD13 ILE A 704 32.013 -5.066 0.464 1.00 1.00 H new ATOM 300 N LEU A 705 35.170 -0.409 -0.213 1.00 1.00 N ATOM 301 CA LEU A 705 35.586 0.760 0.551 1.00 1.00 C ATOM 302 C LEU A 705 35.598 2.005 -0.333 1.00 1.00 C ATOM 303 O LEU A 705 35.157 3.074 0.088 1.00 1.00 O ATOM 304 CB LEU A 705 36.985 0.534 1.132 1.00 1.00 C ATOM 305 CG LEU A 705 36.926 -0.537 2.228 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.348 -0.913 2.652 1.00 1.00 C ATOM 307 CD2 LEU A 705 36.155 -0.013 3.449 1.00 1.00 C ATOM 0 H LEU A 705 35.873 -1.144 -0.286 1.00 1.00 H new ATOM 0 HA LEU A 705 34.874 0.911 1.362 1.00 1.00 H new ATOM 0 HB2 LEU A 705 37.670 0.223 0.343 1.00 1.00 H new ATOM 0 HB3 LEU A 705 37.373 1.466 1.542 1.00 1.00 H new ATOM 0 HG LEU A 705 36.412 -1.414 1.834 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.306 -1.674 3.431 1.00 1.00 H new ATOM 0 HD12 LEU A 705 38.893 -1.303 1.792 1.00 1.00 H new ATOM 0 HD13 LEU A 705 38.859 -0.030 3.035 1.00 1.00 H new ATOM 0 HD21 LEU A 705 36.122 -0.785 4.218 1.00 1.00 H new ATOM 0 HD22 LEU A 705 36.656 0.871 3.844 1.00 1.00 H new ATOM 0 HD23 LEU A 705 35.139 0.248 3.153 1.00 1.00 H new ATOM 319 N LEU A 706 36.100 1.863 -1.556 1.00 1.00 N ATOM 320 CA LEU A 706 36.157 2.990 -2.480 1.00 1.00 C ATOM 321 C LEU A 706 34.750 3.489 -2.800 1.00 1.00 C ATOM 322 O LEU A 706 34.505 4.692 -2.849 1.00 1.00 O ATOM 323 CB LEU A 706 36.868 2.565 -3.773 1.00 1.00 C ATOM 324 CG LEU A 706 36.921 3.732 -4.769 1.00 1.00 C ATOM 325 CD1 LEU A 706 37.630 4.931 -4.135 1.00 1.00 C ATOM 326 CD2 LEU A 706 37.689 3.295 -6.018 1.00 1.00 C ATOM 0 H LEU A 706 36.470 0.988 -1.927 1.00 1.00 H new ATOM 0 HA LEU A 706 36.715 3.800 -2.011 1.00 1.00 H new ATOM 0 HB2 LEU A 706 37.879 2.229 -3.545 1.00 1.00 H new ATOM 0 HB3 LEU A 706 36.345 1.720 -4.221 1.00 1.00 H new ATOM 0 HG LEU A 706 35.904 4.019 -5.038 1.00 1.00 H new ATOM 0 HD11 LEU A 706 37.663 5.754 -4.849 1.00 1.00 H new ATOM 0 HD12 LEU A 706 37.087 5.245 -3.244 1.00 1.00 H new ATOM 0 HD13 LEU A 706 38.646 4.649 -3.860 1.00 1.00 H new ATOM 0 HD21 LEU A 706 37.729 4.121 -6.728 1.00 1.00 H new ATOM 0 HD22 LEU A 706 38.703 3.006 -5.740 1.00 1.00 H new ATOM 0 HD23 LEU A 706 37.183 2.446 -6.477 1.00 1.00 H new ATOM 338 N ILE A 707 33.831 2.555 -3.018 1.00 1.00 N ATOM 339 CA ILE A 707 32.452 2.913 -3.336 1.00 1.00 C ATOM 340 C ILE A 707 31.798 3.663 -2.179 1.00 1.00 C ATOM 341 O ILE A 707 31.101 4.652 -2.389 1.00 1.00 O ATOM 342 CB ILE A 707 31.641 1.656 -3.656 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.134 1.055 -4.976 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.161 2.021 -3.786 1.00 1.00 C ATOM 345 CD1 ILE A 707 31.538 -0.342 -5.156 1.00 1.00 C ATOM 0 H ILE A 707 34.013 1.552 -2.981 1.00 1.00 H new ATOM 0 HA ILE A 707 32.468 3.567 -4.208 1.00 1.00 H new ATOM 0 HB ILE A 707 31.767 0.929 -2.853 1.00 1.00 H new ATOM 0 HG12 ILE A 707 31.845 1.695 -5.809 1.00 1.00 H new ATOM 0 HG13 ILE A 707 33.223 1.000 -4.979 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.584 1.125 -4.014 1.00 1.00 H new ATOM 0 HG22 ILE A 707 29.809 2.451 -2.848 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.035 2.748 -4.588 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.889 -0.769 -6.095 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.849 -0.980 -4.329 1.00 1.00 H new ATOM 0 HD13 ILE A 707 30.450 -0.274 -5.172 1.00 1.00 H new ATOM 357 N GLY A 708 32.020 3.183 -0.962 1.00 1.00 N ATOM 358 CA GLY A 708 31.445 3.823 0.219 1.00 1.00 C ATOM 359 C GLY A 708 32.088 5.183 0.452 1.00 1.00 C ATOM 360 O GLY A 708 31.403 6.172 0.715 1.00 1.00 O ATOM 0 H GLY A 708 32.589 2.360 -0.765 1.00 1.00 H new ATOM 0 HA2 GLY A 708 30.369 3.940 0.090 1.00 1.00 H new ATOM 0 HA3 GLY A 708 31.594 3.189 1.093 1.00 1.00 H new ATOM 364 N LEU A 709 33.410 5.218 0.340 1.00 1.00 N ATOM 365 CA LEU A 709 34.181 6.437 0.508 1.00 1.00 C ATOM 366 C LEU A 709 33.907 7.416 -0.625 1.00 1.00 C ATOM 367 O LEU A 709 33.870 8.627 -0.423 1.00 1.00 O ATOM 368 CB LEU A 709 35.675 6.103 0.552 1.00 1.00 C ATOM 369 CG LEU A 709 35.997 5.343 1.846 1.00 1.00 C ATOM 370 CD1 LEU A 709 37.433 4.819 1.784 1.00 1.00 C ATOM 371 CD2 LEU A 709 35.846 6.269 3.062 1.00 1.00 C ATOM 0 H LEU A 709 33.977 4.397 0.129 1.00 1.00 H new ATOM 0 HA LEU A 709 33.882 6.905 1.446 1.00 1.00 H new ATOM 0 HB2 LEU A 709 35.948 5.499 -0.313 1.00 1.00 H new ATOM 0 HB3 LEU A 709 36.264 7.019 0.500 1.00 1.00 H new ATOM 0 HG LEU A 709 35.302 4.510 1.947 1.00 1.00 H new ATOM 0 HD11 LEU A 709 37.663 4.279 2.702 1.00 1.00 H new ATOM 0 HD12 LEU A 709 37.539 4.147 0.932 1.00 1.00 H new ATOM 0 HD13 LEU A 709 38.122 5.657 1.673 1.00 1.00 H new ATOM 0 HD21 LEU A 709 36.078 5.715 3.972 1.00 1.00 H new ATOM 0 HD22 LEU A 709 36.531 7.111 2.965 1.00 1.00 H new ATOM 0 HD23 LEU A 709 34.822 6.638 3.113 1.00 1.00 H new ATOM 383 N ALA A 710 33.754 6.875 -1.832 1.00 1.00 N ATOM 384 CA ALA A 710 33.537 7.705 -3.016 1.00 1.00 C ATOM 385 C ALA A 710 32.657 8.920 -2.720 1.00 1.00 C ATOM 386 O ALA A 710 33.101 10.057 -2.879 1.00 1.00 O ATOM 387 CB ALA A 710 32.911 6.873 -4.137 1.00 1.00 C ATOM 0 H ALA A 710 33.776 5.872 -2.016 1.00 1.00 H new ATOM 0 HA ALA A 710 34.513 8.075 -3.332 1.00 1.00 H new ATOM 0 HB1 ALA A 710 32.754 7.502 -5.013 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.578 6.051 -4.396 1.00 1.00 H new ATOM 0 HB3 ALA A 710 31.954 6.473 -3.802 1.00 1.00 H new ATOM 393 N PRO A 711 31.433 8.721 -2.309 1.00 1.00 N ATOM 394 CA PRO A 711 30.512 9.854 -2.009 1.00 1.00 C ATOM 395 C PRO A 711 30.999 10.738 -0.860 1.00 1.00 C ATOM 396 O PRO A 711 30.758 11.942 -0.867 1.00 1.00 O ATOM 397 CB PRO A 711 29.188 9.171 -1.647 1.00 1.00 C ATOM 398 CG PRO A 711 29.550 7.776 -1.266 1.00 1.00 C ATOM 399 CD PRO A 711 30.789 7.421 -2.082 1.00 1.00 C ATOM 0 HA PRO A 711 30.433 10.532 -2.859 1.00 1.00 H new ATOM 0 HB2 PRO A 711 28.693 9.686 -0.824 1.00 1.00 H new ATOM 0 HB3 PRO A 711 28.498 9.181 -2.491 1.00 1.00 H new ATOM 0 HG2 PRO A 711 29.754 7.704 -0.198 1.00 1.00 H new ATOM 0 HG3 PRO A 711 28.732 7.089 -1.481 1.00 1.00 H new ATOM 0 HD2 PRO A 711 31.444 6.738 -1.541 1.00 1.00 H new ATOM 0 HD3 PRO A 711 30.525 6.934 -3.021 1.00 1.00 H new ATOM 407 N LEU A 712 31.709 10.152 0.105 1.00 1.00 N ATOM 408 CA LEU A 712 32.229 10.937 1.213 1.00 1.00 C ATOM 409 C LEU A 712 33.263 11.922 0.696 1.00 1.00 C ATOM 410 O LEU A 712 33.241 13.098 1.053 1.00 1.00 O ATOM 411 CB LEU A 712 32.865 10.022 2.265 1.00 1.00 C ATOM 412 CG LEU A 712 31.775 9.197 2.959 1.00 1.00 C ATOM 413 CD1 LEU A 712 32.426 8.137 3.848 1.00 1.00 C ATOM 414 CD2 LEU A 712 30.882 10.104 3.817 1.00 1.00 C ATOM 0 H LEU A 712 31.931 9.157 0.139 1.00 1.00 H new ATOM 0 HA LEU A 712 31.406 11.481 1.677 1.00 1.00 H new ATOM 0 HB2 LEU A 712 33.591 9.360 1.794 1.00 1.00 H new ATOM 0 HB3 LEU A 712 33.407 10.618 3.000 1.00 1.00 H new ATOM 0 HG LEU A 712 31.161 8.715 2.198 1.00 1.00 H new ATOM 0 HD11 LEU A 712 31.651 7.550 4.342 1.00 1.00 H new ATOM 0 HD12 LEU A 712 33.045 7.480 3.237 1.00 1.00 H new ATOM 0 HD13 LEU A 712 33.047 8.624 4.600 1.00 1.00 H new ATOM 0 HD21 LEU A 712 30.113 9.503 4.303 1.00 1.00 H new ATOM 0 HD22 LEU A 712 31.488 10.600 4.575 1.00 1.00 H new ATOM 0 HD23 LEU A 712 30.409 10.854 3.183 1.00 1.00 H new ATOM 426 N LEU A 713 34.151 11.449 -0.177 1.00 1.00 N ATOM 427 CA LEU A 713 35.154 12.328 -0.752 1.00 1.00 C ATOM 428 C LEU A 713 34.487 13.396 -1.601 1.00 1.00 C ATOM 429 O LEU A 713 34.846 14.567 -1.536 1.00 1.00 O ATOM 430 CB LEU A 713 36.159 11.543 -1.603 1.00 1.00 C ATOM 431 CG LEU A 713 37.260 10.951 -0.714 1.00 1.00 C ATOM 432 CD1 LEU A 713 36.663 9.947 0.270 1.00 1.00 C ATOM 433 CD2 LEU A 713 38.292 10.243 -1.595 1.00 1.00 C ATOM 0 H LEU A 713 34.193 10.480 -0.494 1.00 1.00 H new ATOM 0 HA LEU A 713 35.695 12.800 0.068 1.00 1.00 H new ATOM 0 HB2 LEU A 713 35.646 10.744 -2.139 1.00 1.00 H new ATOM 0 HB3 LEU A 713 36.601 12.198 -2.353 1.00 1.00 H new ATOM 0 HG LEU A 713 37.736 11.756 -0.154 1.00 1.00 H new ATOM 0 HD11 LEU A 713 37.455 9.535 0.895 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.928 10.448 0.900 1.00 1.00 H new ATOM 0 HD13 LEU A 713 36.179 9.141 -0.281 1.00 1.00 H new ATOM 0 HD21 LEU A 713 39.077 9.820 -0.968 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.806 9.444 -2.155 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.729 10.959 -2.290 1.00 1.00 H new ATOM 445 N ILE A 714 33.495 12.985 -2.390 1.00 1.00 N ATOM 446 CA ILE A 714 32.787 13.934 -3.232 1.00 1.00 C ATOM 447 C ILE A 714 32.050 14.944 -2.366 1.00 1.00 C ATOM 448 O ILE A 714 32.117 16.146 -2.613 1.00 1.00 O ATOM 449 CB ILE A 714 31.788 13.200 -4.128 1.00 1.00 C ATOM 450 CG1 ILE A 714 32.551 12.349 -5.149 1.00 1.00 C ATOM 451 CG2 ILE A 714 30.918 14.220 -4.865 1.00 1.00 C ATOM 452 CD1 ILE A 714 31.577 11.408 -5.859 1.00 1.00 C ATOM 0 H ILE A 714 33.172 12.020 -2.460 1.00 1.00 H new ATOM 0 HA ILE A 714 33.511 14.456 -3.858 1.00 1.00 H new ATOM 0 HB ILE A 714 31.155 12.557 -3.517 1.00 1.00 H new ATOM 0 HG12 ILE A 714 33.047 12.992 -5.876 1.00 1.00 H new ATOM 0 HG13 ILE A 714 33.330 11.773 -4.649 1.00 1.00 H new ATOM 0 HG21 ILE A 714 30.206 13.697 -5.504 1.00 1.00 H new ATOM 0 HG22 ILE A 714 30.377 14.828 -4.140 1.00 1.00 H new ATOM 0 HG23 ILE A 714 31.550 14.863 -5.477 1.00 1.00 H new ATOM 0 HD11 ILE A 714 32.120 10.803 -6.585 1.00 1.00 H new ATOM 0 HD12 ILE A 714 31.102 10.756 -5.126 1.00 1.00 H new ATOM 0 HD13 ILE A 714 30.814 11.994 -6.372 1.00 1.00 H new ATOM 464 N TRP A 715 31.371 14.456 -1.329 1.00 1.00 N ATOM 465 CA TRP A 715 30.657 15.342 -0.425 1.00 1.00 C ATOM 466 C TRP A 715 31.658 16.208 0.322 1.00 1.00 C ATOM 467 O TRP A 715 31.489 17.421 0.435 1.00 1.00 O ATOM 468 CB TRP A 715 29.823 14.514 0.562 1.00 1.00 C ATOM 469 CG TRP A 715 28.663 15.317 1.066 1.00 1.00 C ATOM 470 CD1 TRP A 715 27.727 15.913 0.289 1.00 1.00 C ATOM 471 CD2 TRP A 715 28.286 15.598 2.447 1.00 1.00 C ATOM 472 NE1 TRP A 715 26.811 16.555 1.104 1.00 1.00 N ATOM 473 CE2 TRP A 715 27.112 16.387 2.441 1.00 1.00 C ATOM 474 CE3 TRP A 715 28.847 15.252 3.689 1.00 1.00 C ATOM 475 CZ2 TRP A 715 26.516 16.818 3.627 1.00 1.00 C ATOM 476 CZ3 TRP A 715 28.248 15.683 4.884 1.00 1.00 C ATOM 477 CH2 TRP A 715 27.086 16.466 4.852 1.00 1.00 C ATOM 0 H TRP A 715 31.303 13.464 -1.100 1.00 1.00 H new ATOM 0 HA TRP A 715 29.984 15.984 -0.993 1.00 1.00 H new ATOM 0 HB2 TRP A 715 29.462 13.609 0.073 1.00 1.00 H new ATOM 0 HB3 TRP A 715 30.446 14.198 1.399 1.00 1.00 H new ATOM 0 HD1 TRP A 715 27.700 15.891 -0.790 1.00 1.00 H new ATOM 0 HE1 TRP A 715 26.012 17.087 0.759 1.00 1.00 H new ATOM 0 HE3 TRP A 715 29.744 14.651 3.724 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 25.620 17.420 3.597 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 28.685 15.410 5.833 1.00 1.00 H new ATOM 0 HH2 TRP A 715 26.632 16.797 5.774 1.00 1.00 H new ATOM 488 N ALA A 716 32.708 15.568 0.832 1.00 1.00 N ATOM 489 CA ALA A 716 33.735 16.286 1.569 1.00 1.00 C ATOM 490 C ALA A 716 34.381 17.342 0.684 1.00 1.00 C ATOM 491 O ALA A 716 34.600 18.472 1.117 1.00 1.00 O ATOM 492 CB ALA A 716 34.803 15.308 2.064 1.00 1.00 C ATOM 0 H ALA A 716 32.866 14.564 0.748 1.00 1.00 H new ATOM 0 HA ALA A 716 33.270 16.777 2.424 1.00 1.00 H new ATOM 0 HB1 ALA A 716 35.569 15.854 2.615 1.00 1.00 H new ATOM 0 HB2 ALA A 716 34.343 14.568 2.719 1.00 1.00 H new ATOM 0 HB3 ALA A 716 35.259 14.805 1.211 1.00 1.00 H new ATOM 498 N LEU A 717 34.676 16.977 -0.561 1.00 1.00 N ATOM 499 CA LEU A 717 35.281 17.914 -1.487 1.00 1.00 C ATOM 500 C LEU A 717 34.338 19.074 -1.754 1.00 1.00 C ATOM 501 O LEU A 717 34.750 20.229 -1.740 1.00 1.00 O ATOM 502 CB LEU A 717 35.618 17.210 -2.806 1.00 1.00 C ATOM 503 CG LEU A 717 36.906 16.392 -2.645 1.00 1.00 C ATOM 504 CD1 LEU A 717 37.093 15.494 -3.869 1.00 1.00 C ATOM 505 CD2 LEU A 717 38.119 17.325 -2.516 1.00 1.00 C ATOM 0 H LEU A 717 34.506 16.047 -0.944 1.00 1.00 H new ATOM 0 HA LEU A 717 36.199 18.297 -1.041 1.00 1.00 H new ATOM 0 HB2 LEU A 717 34.796 16.557 -3.101 1.00 1.00 H new ATOM 0 HB3 LEU A 717 35.741 17.946 -3.601 1.00 1.00 H new ATOM 0 HG LEU A 717 36.826 15.784 -1.744 1.00 1.00 H new ATOM 0 HD11 LEU A 717 38.008 14.912 -3.757 1.00 1.00 H new ATOM 0 HD12 LEU A 717 36.242 14.819 -3.958 1.00 1.00 H new ATOM 0 HD13 LEU A 717 37.163 16.110 -4.765 1.00 1.00 H new ATOM 0 HD21 LEU A 717 39.025 16.730 -2.402 1.00 1.00 H new ATOM 0 HD22 LEU A 717 38.200 17.942 -3.411 1.00 1.00 H new ATOM 0 HD23 LEU A 717 37.994 17.966 -1.643 1.00 1.00 H new ATOM 517 N LEU A 718 33.059 18.775 -1.966 1.00 1.00 N ATOM 518 CA LEU A 718 32.099 19.840 -2.201 1.00 1.00 C ATOM 519 C LEU A 718 31.981 20.706 -0.958 1.00 1.00 C ATOM 520 O LEU A 718 32.001 21.931 -1.040 1.00 1.00 O ATOM 521 CB LEU A 718 30.731 19.257 -2.563 1.00 1.00 C ATOM 522 CG LEU A 718 30.792 18.626 -3.960 1.00 1.00 C ATOM 523 CD1 LEU A 718 29.507 17.839 -4.218 1.00 1.00 C ATOM 524 CD2 LEU A 718 30.943 19.717 -5.031 1.00 1.00 C ATOM 0 H LEU A 718 32.674 17.830 -1.979 1.00 1.00 H new ATOM 0 HA LEU A 718 32.447 20.450 -3.034 1.00 1.00 H new ATOM 0 HB2 LEU A 718 30.438 18.508 -1.827 1.00 1.00 H new ATOM 0 HB3 LEU A 718 29.973 20.040 -2.540 1.00 1.00 H new ATOM 0 HG LEU A 718 31.652 17.959 -4.009 1.00 1.00 H new ATOM 0 HD11 LEU A 718 29.548 17.390 -5.210 1.00 1.00 H new ATOM 0 HD12 LEU A 718 29.404 17.054 -3.468 1.00 1.00 H new ATOM 0 HD13 LEU A 718 28.651 18.511 -4.159 1.00 1.00 H new ATOM 0 HD21 LEU A 718 30.985 19.255 -6.017 1.00 1.00 H new ATOM 0 HD22 LEU A 718 30.090 20.394 -4.983 1.00 1.00 H new ATOM 0 HD23 LEU A 718 31.861 20.277 -4.853 1.00 1.00 H new ATOM 536 N ILE A 719 31.893 20.057 0.203 1.00 1.00 N ATOM 537 CA ILE A 719 31.809 20.779 1.462 1.00 1.00 C ATOM 538 C ILE A 719 33.101 21.517 1.714 1.00 1.00 C ATOM 539 O ILE A 719 33.101 22.694 2.074 1.00 1.00 O ATOM 540 CB ILE A 719 31.543 19.813 2.618 1.00 1.00 C ATOM 541 CG1 ILE A 719 30.134 19.232 2.486 1.00 1.00 C ATOM 542 CG2 ILE A 719 31.662 20.567 3.944 1.00 1.00 C ATOM 543 CD1 ILE A 719 29.972 18.066 3.461 1.00 1.00 C ATOM 0 H ILE A 719 31.878 19.041 0.293 1.00 1.00 H new ATOM 0 HA ILE A 719 30.985 21.490 1.399 1.00 1.00 H new ATOM 0 HB ILE A 719 32.272 19.003 2.591 1.00 1.00 H new ATOM 0 HG12 ILE A 719 29.391 20.001 2.695 1.00 1.00 H new ATOM 0 HG13 ILE A 719 29.963 18.893 1.464 1.00 1.00 H new ATOM 0 HG21 ILE A 719 31.473 19.882 4.770 1.00 1.00 H new ATOM 0 HG22 ILE A 719 32.666 20.981 4.038 1.00 1.00 H new ATOM 0 HG23 ILE A 719 30.932 21.376 3.969 1.00 1.00 H new ATOM 0 HD11 ILE A 719 28.968 17.651 3.368 1.00 1.00 H new ATOM 0 HD12 ILE A 719 30.707 17.294 3.231 1.00 1.00 H new ATOM 0 HD13 ILE A 719 30.125 18.420 4.480 1.00 1.00 H new ATOM 555 N THR A 720 34.209 20.819 1.488 1.00 1.00 N ATOM 556 CA THR A 720 35.514 21.435 1.664 1.00 1.00 C ATOM 557 C THR A 720 35.656 22.562 0.659 1.00 1.00 C ATOM 558 O THR A 720 36.094 23.662 0.995 1.00 1.00 O ATOM 559 CB THR A 720 36.630 20.409 1.464 1.00 1.00 C ATOM 560 OG1 THR A 720 36.508 19.382 2.439 1.00 1.00 O ATOM 561 CG2 THR A 720 37.990 21.095 1.611 1.00 1.00 C ATOM 0 H THR A 720 34.229 19.844 1.188 1.00 1.00 H new ATOM 0 HA THR A 720 35.596 21.825 2.678 1.00 1.00 H new ATOM 0 HB THR A 720 36.550 19.976 0.467 1.00 1.00 H new ATOM 0 HG1 THR A 720 35.649 18.925 2.327 1.00 1.00 H new ATOM 0 HG21 THR A 720 38.784 20.362 1.468 1.00 1.00 H new ATOM 0 HG22 THR A 720 38.083 21.882 0.863 1.00 1.00 H new ATOM 0 HG23 THR A 720 38.072 21.530 2.607 1.00 1.00 H new ATOM 569 N ILE A 721 35.260 22.282 -0.580 1.00 1.00 N ATOM 570 CA ILE A 721 35.332 23.301 -1.629 1.00 1.00 C ATOM 571 C ILE A 721 34.401 24.474 -1.318 1.00 1.00 C ATOM 572 O ILE A 721 34.769 25.637 -1.473 1.00 1.00 O ATOM 573 CB ILE A 721 34.989 22.699 -2.994 1.00 1.00 C ATOM 574 CG1 ILE A 721 36.120 21.754 -3.439 1.00 1.00 C ATOM 575 CG2 ILE A 721 34.809 23.823 -4.020 1.00 1.00 C ATOM 576 CD1 ILE A 721 37.180 22.531 -4.227 1.00 1.00 C ATOM 0 H ILE A 721 34.893 21.379 -0.881 1.00 1.00 H new ATOM 0 HA ILE A 721 36.355 23.675 -1.662 1.00 1.00 H new ATOM 0 HB ILE A 721 34.060 22.133 -2.920 1.00 1.00 H new ATOM 0 HG12 ILE A 721 36.576 21.285 -2.567 1.00 1.00 H new ATOM 0 HG13 ILE A 721 35.713 20.953 -4.056 1.00 1.00 H new ATOM 0 HG21 ILE A 721 34.565 23.393 -4.991 1.00 1.00 H new ATOM 0 HG22 ILE A 721 34.001 24.481 -3.701 1.00 1.00 H new ATOM 0 HG23 ILE A 721 35.733 24.395 -4.098 1.00 1.00 H new ATOM 0 HD11 ILE A 721 37.974 21.852 -4.536 1.00 1.00 H new ATOM 0 HD12 ILE A 721 36.722 22.979 -5.109 1.00 1.00 H new ATOM 0 HD13 ILE A 721 37.599 23.316 -3.597 1.00 1.00 H new ATOM 588 N HIS A 722 33.192 24.149 -0.876 1.00 1.00 N ATOM 589 CA HIS A 722 32.216 25.184 -0.544 1.00 1.00 C ATOM 590 C HIS A 722 32.749 26.087 0.568 1.00 1.00 C ATOM 591 O HIS A 722 32.573 27.305 0.526 1.00 1.00 O ATOM 592 CB HIS A 722 30.900 24.546 -0.094 1.00 1.00 C ATOM 593 CG HIS A 722 29.994 24.369 -1.281 1.00 1.00 C ATOM 594 ND1 HIS A 722 30.082 23.267 -2.120 1.00 1.00 N ATOM 595 CD2 HIS A 722 28.977 25.140 -1.781 1.00 1.00 C ATOM 596 CE1 HIS A 722 29.140 23.407 -3.071 1.00 1.00 C ATOM 597 NE2 HIS A 722 28.439 24.532 -2.911 1.00 1.00 N ATOM 0 H HIS A 722 32.866 23.192 -0.740 1.00 1.00 H new ATOM 0 HA HIS A 722 32.040 25.785 -1.436 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.094 23.582 0.376 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.417 25.174 0.655 1.00 1.00 H new ATOM 0 HD1 HIS A 722 30.740 22.493 -2.032 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.644 26.078 -1.361 1.00 1.00 H new ATOM 0 HE1 HIS A 722 28.972 22.696 -3.866 1.00 1.00 H new ATOM 605 N ASP A 723 33.413 25.487 1.553 1.00 1.00 N ATOM 606 CA ASP A 723 33.984 26.249 2.660 1.00 1.00 C ATOM 607 C ASP A 723 35.186 27.067 2.192 1.00 1.00 C ATOM 608 O ASP A 723 35.332 28.231 2.567 1.00 1.00 O ATOM 609 CB ASP A 723 34.417 25.298 3.779 1.00 1.00 C ATOM 610 CG ASP A 723 34.998 26.091 4.947 1.00 1.00 C ATOM 611 OD1 ASP A 723 35.155 27.292 4.803 1.00 1.00 O ATOM 612 OD2 ASP A 723 35.278 25.483 5.967 1.00 1.00 O ATOM 0 H ASP A 723 33.568 24.480 1.607 1.00 1.00 H new ATOM 0 HA ASP A 723 33.221 26.932 3.035 1.00 1.00 H new ATOM 0 HB2 ASP A 723 33.564 24.710 4.117 1.00 1.00 H new ATOM 0 HB3 ASP A 723 35.159 24.595 3.402 1.00 1.00 H new ATOM 617 N ARG A 724 36.044 26.456 1.376 1.00 1.00 N ATOM 618 CA ARG A 724 37.229 27.148 0.870 1.00 1.00 C ATOM 619 C ARG A 724 37.346 26.996 -0.642 1.00 1.00 C ATOM 620 O ARG A 724 37.081 25.927 -1.191 1.00 1.00 O ATOM 621 CB ARG A 724 38.484 26.583 1.539 1.00 1.00 C ATOM 622 CG ARG A 724 38.491 26.965 3.020 1.00 1.00 C ATOM 623 CD ARG A 724 39.719 26.357 3.697 1.00 1.00 C ATOM 624 NE ARG A 724 39.745 26.715 5.111 1.00 1.00 N ATOM 625 CZ ARG A 724 40.668 26.219 5.929 1.00 1.00 C ATOM 626 NH1 ARG A 724 41.571 25.395 5.472 1.00 1.00 N ATOM 627 NH2 ARG A 724 40.670 26.556 7.190 1.00 1.00 N ATOM 0 H ARG A 724 35.943 25.494 1.054 1.00 1.00 H new ATOM 0 HA ARG A 724 37.132 28.208 1.105 1.00 1.00 H new ATOM 0 HB2 ARG A 724 38.508 25.498 1.433 1.00 1.00 H new ATOM 0 HB3 ARG A 724 39.376 26.972 1.048 1.00 1.00 H new ATOM 0 HG2 ARG A 724 38.503 28.050 3.127 1.00 1.00 H new ATOM 0 HG3 ARG A 724 37.582 26.607 3.503 1.00 1.00 H new ATOM 0 HD2 ARG A 724 39.703 25.272 3.589 1.00 1.00 H new ATOM 0 HD3 ARG A 724 40.626 26.712 3.208 1.00 1.00 H new ATOM 0 HE ARG A 724 39.043 27.357 5.478 1.00 1.00 H new ATOM 0 HH11 ARG A 724 41.569 25.131 4.487 1.00 1.00 H new ATOM 0 HH12 ARG A 724 42.279 25.015 6.100 1.00 1.00 H new ATOM 0 HH21 ARG A 724 39.964 27.199 7.547 1.00 1.00 H new ATOM 0 HH22 ARG A 724 41.378 26.176 7.818 1.00 1.00 H new ATOM 641 N LYS A 725 37.755 28.070 -1.309 1.00 1.00 N ATOM 642 CA LYS A 725 37.912 28.047 -2.759 1.00 1.00 C ATOM 643 C LYS A 725 38.992 27.050 -3.167 1.00 1.00 C ATOM 644 O LYS A 725 38.832 26.308 -4.135 1.00 1.00 O ATOM 645 CB LYS A 725 38.283 29.441 -3.268 1.00 1.00 C ATOM 646 CG LYS A 725 37.099 30.388 -3.070 1.00 1.00 C ATOM 647 CD LYS A 725 37.479 31.791 -3.549 1.00 1.00 C ATOM 648 CE LYS A 725 36.320 32.752 -3.285 1.00 1.00 C ATOM 649 NZ LYS A 725 35.159 32.378 -4.143 1.00 1.00 N ATOM 0 H LYS A 725 37.983 28.963 -0.872 1.00 1.00 H new ATOM 0 HA LYS A 725 36.965 27.740 -3.202 1.00 1.00 H new ATOM 0 HB2 LYS A 725 39.155 29.815 -2.732 1.00 1.00 H new ATOM 0 HB3 LYS A 725 38.553 29.395 -4.323 1.00 1.00 H new ATOM 0 HG2 LYS A 725 36.233 30.025 -3.624 1.00 1.00 H new ATOM 0 HG3 LYS A 725 36.815 30.416 -2.018 1.00 1.00 H new ATOM 0 HD2 LYS A 725 38.375 32.134 -3.031 1.00 1.00 H new ATOM 0 HD3 LYS A 725 37.714 31.772 -4.613 1.00 1.00 H new ATOM 0 HE2 LYS A 725 36.035 32.715 -2.233 1.00 1.00 H new ATOM 0 HE3 LYS A 725 36.627 33.776 -3.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 34.490 33.173 -4.187 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 35.494 32.154 -5.102 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 34.683 31.546 -3.739 1.00 1.00 H new ATOM 663 N GLU A 726 40.093 27.041 -2.421 1.00 1.00 N ATOM 664 CA GLU A 726 41.197 26.133 -2.713 1.00 1.00 C ATOM 665 C GLU A 726 41.716 25.485 -1.432 1.00 1.00 C ATOM 666 O GLU A 726 41.678 26.090 -0.360 1.00 1.00 O ATOM 667 CB GLU A 726 42.329 26.895 -3.413 1.00 1.00 C ATOM 668 CG GLU A 726 42.905 27.962 -2.475 1.00 1.00 C ATOM 669 CD GLU A 726 43.994 28.750 -3.194 1.00 1.00 C ATOM 670 OE1 GLU A 726 44.671 28.165 -4.024 1.00 1.00 O ATOM 671 OE2 GLU A 726 44.139 29.924 -2.901 1.00 1.00 O ATOM 0 H GLU A 726 40.244 27.648 -1.615 1.00 1.00 H new ATOM 0 HA GLU A 726 40.833 25.346 -3.373 1.00 1.00 H new ATOM 0 HB2 GLU A 726 43.114 26.201 -3.712 1.00 1.00 H new ATOM 0 HB3 GLU A 726 41.954 27.364 -4.323 1.00 1.00 H new ATOM 0 HG2 GLU A 726 42.113 28.635 -2.146 1.00 1.00 H new ATOM 0 HG3 GLU A 726 43.314 27.491 -1.581 1.00 1.00 H new ATOM 678 N PHE A 727 42.198 24.252 -1.553 1.00 1.00 N ATOM 679 CA PHE A 727 42.721 23.528 -0.400 1.00 1.00 C ATOM 680 C PHE A 727 43.544 24.456 0.489 1.00 1.00 C ATOM 681 O PHE A 727 44.676 24.735 0.132 1.00 1.00 O ATOM 682 CB PHE A 727 43.596 22.363 -0.869 1.00 1.00 C ATOM 683 CG PHE A 727 42.735 21.335 -1.563 1.00 1.00 C ATOM 684 CD1 PHE A 727 42.077 20.352 -0.814 1.00 1.00 C ATOM 685 CD2 PHE A 727 42.596 21.364 -2.955 1.00 1.00 C ATOM 686 CE1 PHE A 727 41.278 19.399 -1.459 1.00 1.00 C ATOM 687 CE2 PHE A 727 41.799 20.412 -3.600 1.00 1.00 C ATOM 688 CZ PHE A 727 41.140 19.429 -2.851 1.00 1.00 C ATOM 689 OXT PHE A 727 43.028 24.873 1.514 1.00 1.00 O ATOM 0 H PHE A 727 42.237 23.736 -2.432 1.00 1.00 H new ATOM 0 HA PHE A 727 41.879 23.144 0.176 1.00 1.00 H new ATOM 0 HB2 PHE A 727 44.368 22.724 -1.548 1.00 1.00 H new ATOM 0 HB3 PHE A 727 44.106 21.911 -0.018 1.00 1.00 H new ATOM 0 HD1 PHE A 727 42.185 20.328 0.260 1.00 1.00 H new ATOM 0 HD2 PHE A 727 43.104 22.122 -3.532 1.00 1.00 H new ATOM 0 HE1 PHE A 727 40.769 18.641 -0.882 1.00 1.00 H new ATOM 0 HE2 PHE A 727 41.692 20.435 -4.674 1.00 1.00 H new ATOM 0 HZ PHE A 727 40.525 18.694 -3.348 1.00 1.00 H new TER 699 PHE A 727