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 180:sc= 0 USER MOD Single : A 689 LYS NZ :NH3+ -160:sc= -0.0604 (180deg=-0.46) USER MOD Single : A 699 SER OG : rot 77:sc= 0.403 USER MOD Single : A 701 MET CE :methyl 157:sc= -0.116 (180deg=-1.04) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 722 HIS : no HE2:sc= 0.612 K(o=0.61,f=-8.1!) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 18.297 -3.165 -26.306 1.00 1.00 N ATOM 2 CA PRO A 685 19.654 -2.570 -26.262 1.00 1.00 C ATOM 3 C PRO A 685 20.617 -3.437 -27.070 1.00 1.00 C ATOM 4 O PRO A 685 21.743 -3.031 -27.356 1.00 1.00 O ATOM 5 CB PRO A 685 20.098 -2.498 -24.805 1.00 1.00 C ATOM 6 CG PRO A 685 19.111 -3.335 -24.054 1.00 1.00 C ATOM 7 CD PRO A 685 17.839 -3.431 -24.913 1.00 1.00 C ATOM 0 HA PRO A 685 19.647 -1.569 -26.693 1.00 1.00 H new ATOM 0 HB2 PRO A 685 21.112 -2.879 -24.683 1.00 1.00 H new ATOM 0 HB3 PRO A 685 20.098 -1.470 -24.444 1.00 1.00 H new ATOM 0 HG2 PRO A 685 19.519 -4.327 -23.860 1.00 1.00 H new ATOM 0 HG3 PRO A 685 18.887 -2.888 -23.086 1.00 1.00 H new ATOM 0 HD2 PRO A 685 17.379 -4.416 -24.829 1.00 1.00 H new ATOM 0 HD3 PRO A 685 17.092 -2.703 -24.597 1.00 1.00 H new ATOM 17 N GLU A 686 20.156 -4.630 -27.438 1.00 1.00 N ATOM 18 CA GLU A 686 20.968 -5.560 -28.220 1.00 1.00 C ATOM 19 C GLU A 686 22.284 -5.885 -27.518 1.00 1.00 C ATOM 20 O GLU A 686 23.004 -4.990 -27.072 1.00 1.00 O ATOM 21 CB GLU A 686 21.256 -4.973 -29.605 1.00 1.00 C ATOM 22 CG GLU A 686 19.956 -4.901 -30.409 1.00 1.00 C ATOM 23 CD GLU A 686 20.216 -4.255 -31.764 1.00 1.00 C ATOM 24 OE1 GLU A 686 21.363 -3.943 -32.039 1.00 1.00 O ATOM 25 OE2 GLU A 686 19.264 -4.082 -32.507 1.00 1.00 O ATOM 0 H GLU A 686 19.225 -4.976 -27.207 1.00 1.00 H new ATOM 0 HA GLU A 686 20.401 -6.485 -28.324 1.00 1.00 H new ATOM 0 HB2 GLU A 686 21.691 -3.978 -29.507 1.00 1.00 H new ATOM 0 HB3 GLU A 686 21.986 -5.590 -30.129 1.00 1.00 H new ATOM 0 HG2 GLU A 686 19.548 -5.902 -30.547 1.00 1.00 H new ATOM 0 HG3 GLU A 686 19.211 -4.326 -29.860 1.00 1.00 H new ATOM 32 N SER A 687 22.593 -7.177 -27.435 1.00 1.00 N ATOM 33 CA SER A 687 23.826 -7.624 -26.795 1.00 1.00 C ATOM 34 C SER A 687 24.184 -9.038 -27.252 1.00 1.00 C ATOM 35 O SER A 687 24.063 -9.997 -26.490 1.00 1.00 O ATOM 36 CB SER A 687 23.664 -7.604 -25.274 1.00 1.00 C ATOM 37 OG SER A 687 22.315 -7.901 -24.941 1.00 1.00 O ATOM 0 H SER A 687 22.009 -7.929 -27.801 1.00 1.00 H new ATOM 0 HA SER A 687 24.629 -6.945 -27.083 1.00 1.00 H new ATOM 0 HB2 SER A 687 24.333 -8.333 -24.816 1.00 1.00 H new ATOM 0 HB3 SER A 687 23.941 -6.626 -24.880 1.00 1.00 H new ATOM 0 HG SER A 687 22.209 -7.891 -23.967 1.00 1.00 H new ATOM 43 N PRO A 688 24.621 -9.177 -28.478 1.00 1.00 N ATOM 44 CA PRO A 688 25.008 -10.501 -29.049 1.00 1.00 C ATOM 45 C PRO A 688 26.047 -11.199 -28.177 1.00 1.00 C ATOM 46 O PRO A 688 25.977 -12.408 -27.947 1.00 1.00 O ATOM 47 CB PRO A 688 25.611 -10.160 -30.414 1.00 1.00 C ATOM 48 CG PRO A 688 25.098 -8.801 -30.765 1.00 1.00 C ATOM 49 CD PRO A 688 24.793 -8.086 -29.449 1.00 1.00 C ATOM 0 HA PRO A 688 24.158 -11.180 -29.114 1.00 1.00 H new ATOM 0 HB2 PRO A 688 26.700 -10.167 -30.372 1.00 1.00 H new ATOM 0 HB3 PRO A 688 25.317 -10.894 -31.164 1.00 1.00 H new ATOM 0 HG2 PRO A 688 25.838 -8.247 -31.343 1.00 1.00 H new ATOM 0 HG3 PRO A 688 24.202 -8.874 -31.381 1.00 1.00 H new ATOM 0 HD2 PRO A 688 25.606 -7.420 -29.160 1.00 1.00 H new ATOM 0 HD3 PRO A 688 23.893 -7.476 -29.526 1.00 1.00 H new ATOM 57 N LYS A 689 27.008 -10.416 -27.694 1.00 1.00 N ATOM 58 CA LYS A 689 28.067 -10.944 -26.846 1.00 1.00 C ATOM 59 C LYS A 689 27.887 -10.448 -25.415 1.00 1.00 C ATOM 60 O LYS A 689 27.736 -9.249 -25.180 1.00 1.00 O ATOM 61 CB LYS A 689 29.430 -10.495 -27.376 1.00 1.00 C ATOM 62 CG LYS A 689 30.537 -11.230 -26.618 1.00 1.00 C ATOM 63 CD LYS A 689 31.897 -10.862 -27.212 1.00 1.00 C ATOM 64 CE LYS A 689 32.993 -11.639 -26.482 1.00 1.00 C ATOM 65 NZ LYS A 689 33.042 -11.200 -25.059 1.00 1.00 N ATOM 0 H LYS A 689 27.073 -9.415 -27.877 1.00 1.00 H new ATOM 0 HA LYS A 689 28.017 -12.033 -26.856 1.00 1.00 H new ATOM 0 HB2 LYS A 689 29.504 -10.704 -28.443 1.00 1.00 H new ATOM 0 HB3 LYS A 689 29.543 -9.418 -27.253 1.00 1.00 H new ATOM 0 HG2 LYS A 689 30.506 -10.964 -25.561 1.00 1.00 H new ATOM 0 HG3 LYS A 689 30.381 -12.307 -26.680 1.00 1.00 H new ATOM 0 HD2 LYS A 689 31.917 -11.095 -28.277 1.00 1.00 H new ATOM 0 HD3 LYS A 689 32.070 -9.790 -27.117 1.00 1.00 H new ATOM 0 HE2 LYS A 689 32.795 -12.709 -26.538 1.00 1.00 H new ATOM 0 HE3 LYS A 689 33.957 -11.468 -26.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 33.965 -11.451 -24.650 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 32.910 -10.170 -25.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 32.286 -11.673 -24.524 1.00 1.00 H new ATOM 79 N GLY A 690 27.897 -11.379 -24.468 1.00 1.00 N ATOM 80 CA GLY A 690 27.728 -11.028 -23.065 1.00 1.00 C ATOM 81 C GLY A 690 28.835 -10.094 -22.595 1.00 1.00 C ATOM 82 O GLY A 690 29.811 -9.860 -23.310 1.00 1.00 O ATOM 0 H GLY A 690 28.020 -12.376 -24.645 1.00 1.00 H new ATOM 0 HA2 GLY A 690 26.759 -10.550 -22.921 1.00 1.00 H new ATOM 0 HA3 GLY A 690 27.730 -11.933 -22.458 1.00 1.00 H new ATOM 86 N PRO A 691 28.700 -9.563 -21.409 1.00 1.00 N ATOM 87 CA PRO A 691 29.704 -8.634 -20.816 1.00 1.00 C ATOM 88 C PRO A 691 30.972 -9.370 -20.388 1.00 1.00 C ATOM 89 O PRO A 691 30.939 -10.570 -20.117 1.00 1.00 O ATOM 90 CB PRO A 691 28.963 -8.035 -19.618 1.00 1.00 C ATOM 91 CG PRO A 691 28.006 -9.099 -19.201 1.00 1.00 C ATOM 92 CD PRO A 691 27.571 -9.799 -20.490 1.00 1.00 C ATOM 0 HA PRO A 691 30.051 -7.878 -21.521 1.00 1.00 H new ATOM 0 HB2 PRO A 691 29.651 -7.782 -18.812 1.00 1.00 H new ATOM 0 HB3 PRO A 691 28.442 -7.118 -19.892 1.00 1.00 H new ATOM 0 HG2 PRO A 691 28.478 -9.802 -18.515 1.00 1.00 H new ATOM 0 HG3 PRO A 691 27.149 -8.672 -18.680 1.00 1.00 H new ATOM 0 HD2 PRO A 691 27.400 -10.864 -20.330 1.00 1.00 H new ATOM 0 HD3 PRO A 691 26.643 -9.382 -20.880 1.00 1.00 H new ATOM 100 N ASP A 692 32.088 -8.651 -20.342 1.00 1.00 N ATOM 101 CA ASP A 692 33.358 -9.259 -19.960 1.00 1.00 C ATOM 102 C ASP A 692 33.291 -9.817 -18.541 1.00 1.00 C ATOM 103 O ASP A 692 32.745 -9.182 -17.637 1.00 1.00 O ATOM 104 CB ASP A 692 34.482 -8.227 -20.054 1.00 1.00 C ATOM 105 CG ASP A 692 34.808 -7.936 -21.516 1.00 1.00 C ATOM 106 OD1 ASP A 692 34.367 -8.695 -22.365 1.00 1.00 O ATOM 107 OD2 ASP A 692 35.497 -6.962 -21.766 1.00 1.00 O ATOM 0 H ASP A 692 32.140 -7.656 -20.562 1.00 1.00 H new ATOM 0 HA ASP A 692 33.561 -10.081 -20.646 1.00 1.00 H new ATOM 0 HB2 ASP A 692 34.185 -7.307 -19.550 1.00 1.00 H new ATOM 0 HB3 ASP A 692 35.370 -8.598 -19.542 1.00 1.00 H new ATOM 112 N ILE A 693 33.893 -10.986 -18.347 1.00 1.00 N ATOM 113 CA ILE A 693 33.945 -11.600 -17.026 1.00 1.00 C ATOM 114 C ILE A 693 34.767 -10.702 -16.103 1.00 1.00 C ATOM 115 O ILE A 693 34.420 -10.502 -14.938 1.00 1.00 O ATOM 116 CB ILE A 693 34.581 -12.992 -17.107 1.00 1.00 C ATOM 117 CG1 ILE A 693 33.649 -13.929 -17.884 1.00 1.00 C ATOM 118 CG2 ILE A 693 34.791 -13.535 -15.691 1.00 1.00 C ATOM 119 CD1 ILE A 693 34.373 -15.240 -18.204 1.00 1.00 C ATOM 0 H ILE A 693 34.349 -11.524 -19.084 1.00 1.00 H new ATOM 0 HA ILE A 693 32.934 -11.711 -16.635 1.00 1.00 H new ATOM 0 HB ILE A 693 35.542 -12.930 -17.618 1.00 1.00 H new ATOM 0 HG12 ILE A 693 32.753 -14.132 -17.298 1.00 1.00 H new ATOM 0 HG13 ILE A 693 33.324 -13.449 -18.807 1.00 1.00 H new ATOM 0 HG21 ILE A 693 35.243 -14.525 -15.744 1.00 1.00 H new ATOM 0 HG22 ILE A 693 35.449 -12.865 -15.138 1.00 1.00 H new ATOM 0 HG23 ILE A 693 33.830 -13.602 -15.181 1.00 1.00 H new ATOM 0 HD11 ILE A 693 33.704 -15.900 -18.756 1.00 1.00 H new ATOM 0 HD12 ILE A 693 35.256 -15.030 -18.808 1.00 1.00 H new ATOM 0 HD13 ILE A 693 34.676 -15.724 -17.276 1.00 1.00 H new ATOM 131 N LEU A 694 35.875 -10.192 -16.634 1.00 1.00 N ATOM 132 CA LEU A 694 36.773 -9.339 -15.858 1.00 1.00 C ATOM 133 C LEU A 694 36.076 -8.062 -15.391 1.00 1.00 C ATOM 134 O LEU A 694 36.268 -7.630 -14.252 1.00 1.00 O ATOM 135 CB LEU A 694 38.000 -8.975 -16.697 1.00 1.00 C ATOM 136 CG LEU A 694 39.016 -10.118 -16.640 1.00 1.00 C ATOM 137 CD1 LEU A 694 38.379 -11.397 -17.183 1.00 1.00 C ATOM 138 CD2 LEU A 694 40.234 -9.759 -17.492 1.00 1.00 C ATOM 0 H LEU A 694 36.173 -10.354 -17.596 1.00 1.00 H new ATOM 0 HA LEU A 694 37.080 -9.899 -14.974 1.00 1.00 H new ATOM 0 HB2 LEU A 694 37.705 -8.788 -17.730 1.00 1.00 H new ATOM 0 HB3 LEU A 694 38.450 -8.056 -16.322 1.00 1.00 H new ATOM 0 HG LEU A 694 39.325 -10.276 -15.607 1.00 1.00 H new ATOM 0 HD11 LEU A 694 39.104 -12.210 -17.142 1.00 1.00 H new ATOM 0 HD12 LEU A 694 37.509 -11.655 -16.579 1.00 1.00 H new ATOM 0 HD13 LEU A 694 38.069 -11.239 -18.216 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.958 -10.572 -17.452 1.00 1.00 H new ATOM 0 HD22 LEU A 694 39.922 -9.601 -18.524 1.00 1.00 H new ATOM 0 HD23 LEU A 694 40.691 -8.847 -17.108 1.00 1.00 H new ATOM 150 N VAL A 695 35.273 -7.459 -16.263 1.00 1.00 N ATOM 151 CA VAL A 695 34.562 -6.230 -15.913 1.00 1.00 C ATOM 152 C VAL A 695 33.611 -6.473 -14.743 1.00 1.00 C ATOM 153 O VAL A 695 33.514 -5.657 -13.827 1.00 1.00 O ATOM 154 CB VAL A 695 33.764 -5.714 -17.112 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.803 -4.619 -16.644 1.00 1.00 C ATOM 156 CG2 VAL A 695 34.727 -5.137 -18.152 1.00 1.00 C ATOM 0 H VAL A 695 35.098 -7.796 -17.210 1.00 1.00 H new ATOM 0 HA VAL A 695 35.303 -5.485 -15.624 1.00 1.00 H new ATOM 0 HB VAL A 695 33.197 -6.532 -17.556 1.00 1.00 H new ATOM 0 HG11 VAL A 695 32.232 -4.248 -17.495 1.00 1.00 H new ATOM 0 HG12 VAL A 695 32.120 -5.028 -15.899 1.00 1.00 H new ATOM 0 HG13 VAL A 695 33.371 -3.800 -16.204 1.00 1.00 H new ATOM 0 HG21 VAL A 695 34.161 -4.769 -19.007 1.00 1.00 H new ATOM 0 HG22 VAL A 695 35.291 -4.316 -17.710 1.00 1.00 H new ATOM 0 HG23 VAL A 695 35.416 -5.915 -18.481 1.00 1.00 H new ATOM 166 N VAL A 696 32.899 -7.593 -14.793 1.00 1.00 N ATOM 167 CA VAL A 696 31.940 -7.940 -13.750 1.00 1.00 C ATOM 168 C VAL A 696 32.638 -8.233 -12.428 1.00 1.00 C ATOM 169 O VAL A 696 32.180 -7.796 -11.372 1.00 1.00 O ATOM 170 CB VAL A 696 31.128 -9.163 -14.181 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.227 -9.611 -13.031 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.267 -8.801 -15.395 1.00 1.00 C ATOM 0 H VAL A 696 32.968 -8.278 -15.546 1.00 1.00 H new ATOM 0 HA VAL A 696 31.278 -7.087 -13.604 1.00 1.00 H new ATOM 0 HB VAL A 696 31.806 -9.974 -14.445 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.649 -10.482 -13.340 1.00 1.00 H new ATOM 0 HG12 VAL A 696 30.840 -9.869 -12.168 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.548 -8.801 -12.764 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.688 -9.672 -15.703 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.589 -7.989 -15.131 1.00 1.00 H new ATOM 0 HG23 VAL A 696 30.910 -8.484 -16.216 1.00 1.00 H new ATOM 182 N LEU A 697 33.741 -8.967 -12.478 1.00 1.00 N ATOM 183 CA LEU A 697 34.459 -9.280 -11.250 1.00 1.00 C ATOM 184 C LEU A 697 34.937 -7.997 -10.571 1.00 1.00 C ATOM 185 O LEU A 697 34.820 -7.858 -9.355 1.00 1.00 O ATOM 186 CB LEU A 697 35.660 -10.177 -11.556 1.00 1.00 C ATOM 187 CG LEU A 697 35.175 -11.576 -11.949 1.00 1.00 C ATOM 188 CD1 LEU A 697 36.358 -12.398 -12.460 1.00 1.00 C ATOM 189 CD2 LEU A 697 34.553 -12.284 -10.736 1.00 1.00 C ATOM 0 H LEU A 697 34.150 -9.348 -13.331 1.00 1.00 H new ATOM 0 HA LEU A 697 33.780 -9.805 -10.578 1.00 1.00 H new ATOM 0 HB2 LEU A 697 36.251 -9.746 -12.364 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.311 -10.239 -10.684 1.00 1.00 H new ATOM 0 HG LEU A 697 34.422 -11.482 -12.731 1.00 1.00 H new ATOM 0 HD11 LEU A 697 36.015 -13.394 -12.740 1.00 1.00 H new ATOM 0 HD12 LEU A 697 36.794 -11.906 -13.330 1.00 1.00 H new ATOM 0 HD13 LEU A 697 37.110 -12.481 -11.675 1.00 1.00 H new ATOM 0 HD21 LEU A 697 34.213 -13.277 -11.029 1.00 1.00 H new ATOM 0 HD22 LEU A 697 35.298 -12.375 -9.946 1.00 1.00 H new ATOM 0 HD23 LEU A 697 33.706 -11.703 -10.371 1.00 1.00 H new ATOM 201 N LEU A 698 35.476 -7.058 -11.348 1.00 1.00 N ATOM 202 CA LEU A 698 35.960 -5.801 -10.779 1.00 1.00 C ATOM 203 C LEU A 698 34.813 -5.006 -10.161 1.00 1.00 C ATOM 204 O LEU A 698 34.941 -4.463 -9.064 1.00 1.00 O ATOM 205 CB LEU A 698 36.633 -4.957 -11.863 1.00 1.00 C ATOM 206 CG LEU A 698 37.947 -5.619 -12.296 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.510 -4.886 -13.515 1.00 1.00 C ATOM 208 CD2 LEU A 698 38.976 -5.562 -11.158 1.00 1.00 C ATOM 0 H LEU A 698 35.588 -7.141 -12.358 1.00 1.00 H new ATOM 0 HA LEU A 698 36.683 -6.041 -9.999 1.00 1.00 H new ATOM 0 HB2 LEU A 698 35.968 -4.852 -12.720 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.828 -3.953 -11.486 1.00 1.00 H new ATOM 0 HG LEU A 698 37.747 -6.661 -12.545 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.444 -5.356 -13.823 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.792 -4.936 -14.333 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.696 -3.843 -13.258 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.903 -6.036 -11.481 1.00 1.00 H new ATOM 0 HD22 LEU A 698 39.172 -4.522 -10.897 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.585 -6.087 -10.287 1.00 1.00 H new ATOM 220 N SER A 699 33.693 -4.944 -10.871 1.00 1.00 N ATOM 221 CA SER A 699 32.546 -4.207 -10.356 1.00 1.00 C ATOM 222 C SER A 699 32.122 -4.790 -9.016 1.00 1.00 C ATOM 223 O SER A 699 31.857 -4.054 -8.064 1.00 1.00 O ATOM 224 CB SER A 699 31.377 -4.276 -11.341 1.00 1.00 C ATOM 225 OG SER A 699 31.733 -3.596 -12.538 1.00 1.00 O ATOM 0 H SER A 699 33.555 -5.383 -11.781 1.00 1.00 H new ATOM 0 HA SER A 699 32.832 -3.163 -10.226 1.00 1.00 H new ATOM 0 HB2 SER A 699 31.130 -5.315 -11.559 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.488 -3.823 -10.902 1.00 1.00 H new ATOM 0 HG SER A 699 32.329 -4.163 -13.071 1.00 1.00 H new ATOM 231 N VAL A 700 32.085 -6.114 -8.939 1.00 1.00 N ATOM 232 CA VAL A 700 31.718 -6.779 -7.697 1.00 1.00 C ATOM 233 C VAL A 700 32.743 -6.447 -6.620 1.00 1.00 C ATOM 234 O VAL A 700 32.389 -6.104 -5.492 1.00 1.00 O ATOM 235 CB VAL A 700 31.679 -8.291 -7.904 1.00 1.00 C ATOM 236 CG1 VAL A 700 31.403 -8.980 -6.568 1.00 1.00 C ATOM 237 CG2 VAL A 700 30.579 -8.644 -8.906 1.00 1.00 C ATOM 0 H VAL A 700 32.302 -6.742 -9.713 1.00 1.00 H new ATOM 0 HA VAL A 700 30.732 -6.433 -7.388 1.00 1.00 H new ATOM 0 HB VAL A 700 32.639 -8.630 -8.293 1.00 1.00 H new ATOM 0 HG11 VAL A 700 31.375 -10.060 -6.714 1.00 1.00 H new ATOM 0 HG12 VAL A 700 32.193 -8.730 -5.860 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.444 -8.642 -6.176 1.00 1.00 H new ATOM 0 HG21 VAL A 700 30.553 -9.724 -9.052 1.00 1.00 H new ATOM 0 HG22 VAL A 700 29.616 -8.306 -8.523 1.00 1.00 H new ATOM 0 HG23 VAL A 700 30.783 -8.154 -9.858 1.00 1.00 H new ATOM 247 N MET A 701 34.021 -6.562 -6.973 1.00 1.00 N ATOM 248 CA MET A 701 35.092 -6.281 -6.026 1.00 1.00 C ATOM 249 C MET A 701 35.045 -4.829 -5.571 1.00 1.00 C ATOM 250 O MET A 701 35.261 -4.535 -4.399 1.00 1.00 O ATOM 251 CB MET A 701 36.444 -6.576 -6.677 1.00 1.00 C ATOM 252 CG MET A 701 36.679 -8.088 -6.709 1.00 1.00 C ATOM 253 SD MET A 701 38.180 -8.448 -7.656 1.00 1.00 S ATOM 254 CE MET A 701 39.366 -7.653 -6.541 1.00 1.00 C ATOM 0 H MET A 701 34.337 -6.846 -7.901 1.00 1.00 H new ATOM 0 HA MET A 701 34.959 -6.920 -5.153 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.467 -6.173 -7.689 1.00 1.00 H new ATOM 0 HB3 MET A 701 37.242 -6.085 -6.120 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.776 -8.473 -5.694 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.823 -8.590 -7.160 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.355 -8.084 -6.694 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.400 -6.584 -6.749 1.00 1.00 H new ATOM 0 HE3 MET A 701 39.057 -7.812 -5.508 1.00 1.00 H new ATOM 264 N GLY A 702 34.746 -3.920 -6.495 1.00 1.00 N ATOM 265 CA GLY A 702 34.664 -2.511 -6.138 1.00 1.00 C ATOM 266 C GLY A 702 33.571 -2.304 -5.094 1.00 1.00 C ATOM 267 O GLY A 702 33.744 -1.561 -4.126 1.00 1.00 O ATOM 0 H GLY A 702 34.560 -4.129 -7.476 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.622 -2.169 -5.747 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.450 -1.914 -7.024 1.00 1.00 H new ATOM 271 N ALA A 703 32.436 -2.965 -5.319 1.00 1.00 N ATOM 272 CA ALA A 703 31.295 -2.852 -4.416 1.00 1.00 C ATOM 273 C ALA A 703 31.654 -3.308 -3.001 1.00 1.00 C ATOM 274 O ALA A 703 31.226 -2.699 -2.018 1.00 1.00 O ATOM 275 CB ALA A 703 30.134 -3.695 -4.947 1.00 1.00 C ATOM 0 H ALA A 703 32.284 -3.582 -6.117 1.00 1.00 H new ATOM 0 HA ALA A 703 31.003 -1.803 -4.370 1.00 1.00 H new ATOM 0 HB1 ALA A 703 29.283 -3.609 -4.271 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.849 -3.339 -5.937 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.442 -4.739 -5.012 1.00 1.00 H new ATOM 281 N ILE A 704 32.429 -4.385 -2.900 1.00 1.00 N ATOM 282 CA ILE A 704 32.811 -4.897 -1.587 1.00 1.00 C ATOM 283 C ILE A 704 33.658 -3.873 -0.836 1.00 1.00 C ATOM 284 O ILE A 704 33.463 -3.654 0.359 1.00 1.00 O ATOM 285 CB ILE A 704 33.601 -6.199 -1.726 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.678 -7.300 -2.261 1.00 1.00 C ATOM 287 CG2 ILE A 704 34.136 -6.608 -0.350 1.00 1.00 C ATOM 288 CD1 ILE A 704 33.507 -8.527 -2.646 1.00 1.00 C ATOM 0 H ILE A 704 32.798 -4.910 -3.693 1.00 1.00 H new ATOM 0 HA ILE A 704 31.897 -5.089 -1.025 1.00 1.00 H new ATOM 0 HB ILE A 704 34.432 -6.055 -2.417 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.941 -7.570 -1.504 1.00 1.00 H new ATOM 0 HG13 ILE A 704 32.126 -6.936 -3.127 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.701 -7.536 -0.440 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.787 -5.823 0.035 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.302 -6.756 0.335 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.847 -9.307 -3.026 1.00 1.00 H new ATOM 0 HD12 ILE A 704 34.226 -8.253 -3.418 1.00 1.00 H new ATOM 0 HD13 ILE A 704 34.039 -8.897 -1.769 1.00 1.00 H new ATOM 300 N LEU A 705 34.608 -3.262 -1.529 1.00 1.00 N ATOM 301 CA LEU A 705 35.479 -2.281 -0.888 1.00 1.00 C ATOM 302 C LEU A 705 34.698 -1.060 -0.407 1.00 1.00 C ATOM 303 O LEU A 705 34.957 -0.546 0.682 1.00 1.00 O ATOM 304 CB LEU A 705 36.589 -1.829 -1.848 1.00 1.00 C ATOM 305 CG LEU A 705 37.812 -2.759 -1.740 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.530 -2.538 -0.403 1.00 1.00 C ATOM 307 CD2 LEU A 705 37.376 -4.224 -1.829 1.00 1.00 C ATOM 0 H LEU A 705 34.796 -3.422 -2.519 1.00 1.00 H new ATOM 0 HA LEU A 705 35.925 -2.769 -0.021 1.00 1.00 H new ATOM 0 HB2 LEU A 705 36.214 -1.830 -2.872 1.00 1.00 H new ATOM 0 HB3 LEU A 705 36.883 -0.805 -1.617 1.00 1.00 H new ATOM 0 HG LEU A 705 38.488 -2.528 -2.563 1.00 1.00 H new ATOM 0 HD11 LEU A 705 39.393 -3.201 -0.339 1.00 1.00 H new ATOM 0 HD12 LEU A 705 38.863 -1.502 -0.336 1.00 1.00 H new ATOM 0 HD13 LEU A 705 37.845 -2.753 0.418 1.00 1.00 H new ATOM 0 HD21 LEU A 705 38.251 -4.869 -1.751 1.00 1.00 H new ATOM 0 HD22 LEU A 705 36.686 -4.448 -1.015 1.00 1.00 H new ATOM 0 HD23 LEU A 705 36.880 -4.399 -2.784 1.00 1.00 H new ATOM 319 N LEU A 706 33.762 -0.581 -1.224 1.00 1.00 N ATOM 320 CA LEU A 706 32.979 0.601 -0.873 1.00 1.00 C ATOM 321 C LEU A 706 32.102 0.388 0.363 1.00 1.00 C ATOM 322 O LEU A 706 32.019 1.266 1.224 1.00 1.00 O ATOM 323 CB LEU A 706 32.086 0.984 -2.056 1.00 1.00 C ATOM 324 CG LEU A 706 32.943 1.528 -3.205 1.00 1.00 C ATOM 325 CD1 LEU A 706 32.076 1.689 -4.456 1.00 1.00 C ATOM 326 CD2 LEU A 706 33.548 2.887 -2.824 1.00 1.00 C ATOM 0 H LEU A 706 33.528 -0.991 -2.128 1.00 1.00 H new ATOM 0 HA LEU A 706 33.686 1.397 -0.639 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.521 0.115 -2.393 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.360 1.735 -1.746 1.00 1.00 H new ATOM 0 HG LEU A 706 33.752 0.825 -3.404 1.00 1.00 H new ATOM 0 HD11 LEU A 706 32.685 2.076 -5.273 1.00 1.00 H new ATOM 0 HD12 LEU A 706 31.662 0.721 -4.739 1.00 1.00 H new ATOM 0 HD13 LEU A 706 31.263 2.385 -4.248 1.00 1.00 H new ATOM 0 HD21 LEU A 706 34.154 3.260 -3.650 1.00 1.00 H new ATOM 0 HD22 LEU A 706 32.747 3.595 -2.612 1.00 1.00 H new ATOM 0 HD23 LEU A 706 34.173 2.772 -1.939 1.00 1.00 H new ATOM 338 N ILE A 707 31.453 -0.769 0.465 1.00 1.00 N ATOM 339 CA ILE A 707 30.606 -1.033 1.624 1.00 1.00 C ATOM 340 C ILE A 707 31.457 -1.259 2.869 1.00 1.00 C ATOM 341 O ILE A 707 31.105 -0.825 3.966 1.00 1.00 O ATOM 342 CB ILE A 707 29.683 -2.231 1.379 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.803 -2.447 2.612 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.512 -3.486 1.122 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.641 -3.378 2.258 1.00 1.00 C ATOM 0 H ILE A 707 31.495 -1.522 -0.222 1.00 1.00 H new ATOM 0 HA ILE A 707 29.979 -0.156 1.785 1.00 1.00 H new ATOM 0 HB ILE A 707 29.059 -2.032 0.507 1.00 1.00 H new ATOM 0 HG12 ILE A 707 29.393 -2.877 3.421 1.00 1.00 H new ATOM 0 HG13 ILE A 707 28.420 -1.491 2.970 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.847 -4.332 0.949 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.141 -3.333 0.245 1.00 1.00 H new ATOM 0 HG23 ILE A 707 31.141 -3.690 1.988 1.00 1.00 H new ATOM 0 HD11 ILE A 707 27.016 -3.530 3.138 1.00 1.00 H new ATOM 0 HD12 ILE A 707 27.045 -2.930 1.463 1.00 1.00 H new ATOM 0 HD13 ILE A 707 28.033 -4.338 1.921 1.00 1.00 H new ATOM 357 N GLY A 708 32.585 -1.945 2.692 1.00 1.00 N ATOM 358 CA GLY A 708 33.469 -2.213 3.820 1.00 1.00 C ATOM 359 C GLY A 708 33.945 -0.908 4.453 1.00 1.00 C ATOM 360 O GLY A 708 33.952 -0.773 5.673 1.00 1.00 O ATOM 0 H GLY A 708 32.902 -2.318 1.797 1.00 1.00 H new ATOM 0 HA2 GLY A 708 32.946 -2.814 4.564 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.328 -2.795 3.486 1.00 1.00 H new ATOM 364 N LEU A 709 34.331 0.054 3.623 1.00 1.00 N ATOM 365 CA LEU A 709 34.795 1.337 4.145 1.00 1.00 C ATOM 366 C LEU A 709 33.673 2.021 4.924 1.00 1.00 C ATOM 367 O LEU A 709 33.900 2.559 6.004 1.00 1.00 O ATOM 368 CB LEU A 709 35.252 2.237 2.988 1.00 1.00 C ATOM 369 CG LEU A 709 35.724 3.598 3.519 1.00 1.00 C ATOM 370 CD1 LEU A 709 36.911 3.409 4.468 1.00 1.00 C ATOM 371 CD2 LEU A 709 36.153 4.472 2.342 1.00 1.00 C ATOM 0 H LEU A 709 34.333 -0.024 2.606 1.00 1.00 H new ATOM 0 HA LEU A 709 35.637 1.163 4.815 1.00 1.00 H new ATOM 0 HB2 LEU A 709 36.061 1.753 2.441 1.00 1.00 H new ATOM 0 HB3 LEU A 709 34.432 2.379 2.284 1.00 1.00 H new ATOM 0 HG LEU A 709 34.908 4.075 4.061 1.00 1.00 H new ATOM 0 HD11 LEU A 709 37.238 4.380 4.839 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.610 2.783 5.307 1.00 1.00 H new ATOM 0 HD13 LEU A 709 37.731 2.930 3.934 1.00 1.00 H new ATOM 0 HD21 LEU A 709 36.490 5.441 2.712 1.00 1.00 H new ATOM 0 HD22 LEU A 709 36.967 3.985 1.805 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.308 4.615 1.668 1.00 1.00 H new ATOM 383 N ALA A 710 32.467 1.998 4.370 1.00 1.00 N ATOM 384 CA ALA A 710 31.336 2.627 5.045 1.00 1.00 C ATOM 385 C ALA A 710 31.163 2.041 6.444 1.00 1.00 C ATOM 386 O ALA A 710 30.843 2.756 7.394 1.00 1.00 O ATOM 387 CB ALA A 710 30.055 2.413 4.235 1.00 1.00 C ATOM 0 H ALA A 710 32.248 1.561 3.475 1.00 1.00 H new ATOM 0 HA ALA A 710 31.532 3.696 5.129 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.217 2.886 4.747 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.172 2.855 3.246 1.00 1.00 H new ATOM 0 HB3 ALA A 710 29.862 1.345 4.134 1.00 1.00 H new ATOM 393 N ALA A 711 31.380 0.737 6.559 1.00 1.00 N ATOM 394 CA ALA A 711 31.245 0.067 7.849 1.00 1.00 C ATOM 395 C ALA A 711 32.284 0.584 8.840 1.00 1.00 C ATOM 396 O ALA A 711 31.983 0.773 10.019 1.00 1.00 O ATOM 397 CB ALA A 711 31.414 -1.444 7.678 1.00 1.00 C ATOM 0 H ALA A 711 31.647 0.127 5.786 1.00 1.00 H new ATOM 0 HA ALA A 711 30.250 0.281 8.239 1.00 1.00 H new ATOM 0 HB1 ALA A 711 31.311 -1.933 8.646 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.650 -1.821 6.998 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.401 -1.656 7.267 1.00 1.00 H new ATOM 403 N LEU A 712 33.506 0.799 8.361 1.00 1.00 N ATOM 404 CA LEU A 712 34.578 1.280 9.231 1.00 1.00 C ATOM 405 C LEU A 712 34.252 2.658 9.811 1.00 1.00 C ATOM 406 O LEU A 712 34.471 2.903 10.997 1.00 1.00 O ATOM 407 CB LEU A 712 35.908 1.361 8.460 1.00 1.00 C ATOM 408 CG LEU A 712 36.674 0.026 8.524 1.00 1.00 C ATOM 409 CD1 LEU A 712 35.951 -1.048 7.710 1.00 1.00 C ATOM 410 CD2 LEU A 712 38.075 0.226 7.937 1.00 1.00 C ATOM 0 H LEU A 712 33.778 0.651 7.389 1.00 1.00 H new ATOM 0 HA LEU A 712 34.672 0.567 10.050 1.00 1.00 H new ATOM 0 HB2 LEU A 712 35.713 1.621 7.420 1.00 1.00 H new ATOM 0 HB3 LEU A 712 36.525 2.157 8.877 1.00 1.00 H new ATOM 0 HG LEU A 712 36.734 -0.294 9.564 1.00 1.00 H new ATOM 0 HD11 LEU A 712 36.507 -1.984 7.767 1.00 1.00 H new ATOM 0 HD12 LEU A 712 34.949 -1.196 8.112 1.00 1.00 H new ATOM 0 HD13 LEU A 712 35.881 -0.731 6.670 1.00 1.00 H new ATOM 0 HD21 LEU A 712 38.624 -0.714 7.978 1.00 1.00 H new ATOM 0 HD22 LEU A 712 37.992 0.552 6.900 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.607 0.983 8.514 1.00 1.00 H new ATOM 422 N LEU A 713 33.715 3.547 8.980 1.00 1.00 N ATOM 423 CA LEU A 713 33.354 4.888 9.442 1.00 1.00 C ATOM 424 C LEU A 713 32.178 4.852 10.417 1.00 1.00 C ATOM 425 O LEU A 713 32.161 5.575 11.413 1.00 1.00 O ATOM 426 CB LEU A 713 32.994 5.771 8.248 1.00 1.00 C ATOM 427 CG LEU A 713 34.255 6.436 7.693 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.269 5.366 7.288 1.00 1.00 C ATOM 429 CD2 LEU A 713 33.886 7.276 6.469 1.00 1.00 C ATOM 0 H LEU A 713 33.521 3.369 7.995 1.00 1.00 H new ATOM 0 HA LEU A 713 34.217 5.300 9.964 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.517 5.172 7.472 1.00 1.00 H new ATOM 0 HB3 LEU A 713 32.275 6.532 8.551 1.00 1.00 H new ATOM 0 HG LEU A 713 34.694 7.075 8.459 1.00 1.00 H new ATOM 0 HD11 LEU A 713 36.165 5.845 6.893 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.532 4.766 8.159 1.00 1.00 H new ATOM 0 HD13 LEU A 713 34.834 4.724 6.522 1.00 1.00 H new ATOM 0 HD21 LEU A 713 34.782 7.752 6.071 1.00 1.00 H new ATOM 0 HD22 LEU A 713 33.446 6.634 5.706 1.00 1.00 H new ATOM 0 HD23 LEU A 713 33.166 8.042 6.757 1.00 1.00 H new ATOM 441 N ILE A 714 31.198 4.005 10.116 1.00 1.00 N ATOM 442 CA ILE A 714 30.022 3.887 10.976 1.00 1.00 C ATOM 443 C ILE A 714 30.422 3.383 12.359 1.00 1.00 C ATOM 444 O ILE A 714 29.961 3.904 13.374 1.00 1.00 O ATOM 445 CB ILE A 714 29.001 2.939 10.342 1.00 1.00 C ATOM 446 CG1 ILE A 714 28.403 3.608 9.099 1.00 1.00 C ATOM 447 CG2 ILE A 714 27.889 2.629 11.347 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.624 2.578 8.276 1.00 1.00 C ATOM 0 H ILE A 714 31.192 3.398 9.296 1.00 1.00 H new ATOM 0 HA ILE A 714 29.569 4.872 11.085 1.00 1.00 H new ATOM 0 HB ILE A 714 29.492 2.008 10.058 1.00 1.00 H new ATOM 0 HG12 ILE A 714 27.743 4.423 9.396 1.00 1.00 H new ATOM 0 HG13 ILE A 714 29.197 4.045 8.493 1.00 1.00 H new ATOM 0 HG21 ILE A 714 27.165 1.954 10.891 1.00 1.00 H new ATOM 0 HG22 ILE A 714 28.318 2.157 12.231 1.00 1.00 H new ATOM 0 HG23 ILE A 714 27.391 3.555 11.635 1.00 1.00 H new ATOM 0 HD11 ILE A 714 27.202 3.061 7.394 1.00 1.00 H new ATOM 0 HD12 ILE A 714 28.295 1.778 7.965 1.00 1.00 H new ATOM 0 HD13 ILE A 714 26.819 2.162 8.882 1.00 1.00 H new ATOM 460 N TRP A 715 31.291 2.377 12.394 1.00 1.00 N ATOM 461 CA TRP A 715 31.745 1.837 13.671 1.00 1.00 C ATOM 462 C TRP A 715 32.452 2.933 14.462 1.00 1.00 C ATOM 463 O TRP A 715 32.208 3.116 15.656 1.00 1.00 O ATOM 464 CB TRP A 715 32.716 0.681 13.428 1.00 1.00 C ATOM 465 CG TRP A 715 33.138 0.038 14.720 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.583 0.240 15.948 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.229 -0.905 14.926 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.253 -0.538 16.874 1.00 1.00 N ATOM 469 CE2 TRP A 715 34.278 -1.256 16.295 1.00 1.00 C ATOM 470 CE3 TRP A 715 35.168 -1.489 14.057 1.00 1.00 C ATOM 471 CZ2 TRP A 715 35.225 -2.154 16.787 1.00 1.00 C ATOM 472 CZ3 TRP A 715 36.126 -2.391 14.550 1.00 1.00 C ATOM 473 CH2 TRP A 715 36.153 -2.724 15.911 1.00 1.00 C ATOM 0 H TRP A 715 31.689 1.926 11.570 1.00 1.00 H new ATOM 0 HA TRP A 715 30.885 1.474 14.234 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.244 -0.063 12.786 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.595 1.048 12.898 1.00 1.00 H new ATOM 0 HD1 TRP A 715 31.755 0.900 16.163 1.00 1.00 H new ATOM 0 HE1 TRP A 715 33.017 -0.576 17.866 1.00 1.00 H new ATOM 0 HE3 TRP A 715 35.153 -1.243 13.006 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 35.241 -2.407 17.837 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 36.846 -2.830 13.876 1.00 1.00 H new ATOM 0 HH2 TRP A 715 36.890 -3.420 16.283 1.00 1.00 H new ATOM 484 N LYS A 716 33.353 3.642 13.791 1.00 1.00 N ATOM 485 CA LYS A 716 34.122 4.698 14.436 1.00 1.00 C ATOM 486 C LYS A 716 33.197 5.774 14.998 1.00 1.00 C ATOM 487 O LYS A 716 33.393 6.252 16.116 1.00 1.00 O ATOM 488 CB LYS A 716 35.098 5.298 13.401 1.00 1.00 C ATOM 489 CG LYS A 716 35.814 6.601 13.862 1.00 1.00 C ATOM 490 CD LYS A 716 36.950 6.374 14.893 1.00 1.00 C ATOM 491 CE LYS A 716 36.426 6.072 16.304 1.00 1.00 C ATOM 492 NZ LYS A 716 37.544 6.221 17.278 1.00 1.00 N ATOM 0 H LYS A 716 33.568 3.505 12.803 1.00 1.00 H new ATOM 0 HA LYS A 716 34.685 4.284 15.272 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.854 4.551 13.158 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.549 5.506 12.483 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.228 7.103 12.988 1.00 1.00 H new ATOM 0 HG3 LYS A 716 35.075 7.274 14.296 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.577 5.547 14.559 1.00 1.00 H new ATOM 0 HD3 LYS A 716 37.584 7.260 14.928 1.00 1.00 H new ATOM 0 HE2 LYS A 716 35.613 6.752 16.557 1.00 1.00 H new ATOM 0 HE3 LYS A 716 36.021 5.061 16.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 37.198 6.018 18.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 38.306 5.555 17.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 37.910 7.194 17.240 1.00 1.00 H new ATOM 506 N LEU A 717 32.199 6.161 14.218 1.00 1.00 N ATOM 507 CA LEU A 717 31.270 7.192 14.654 1.00 1.00 C ATOM 508 C LEU A 717 30.520 6.746 15.911 1.00 1.00 C ATOM 509 O LEU A 717 30.355 7.523 16.850 1.00 1.00 O ATOM 510 CB LEU A 717 30.287 7.494 13.516 1.00 1.00 C ATOM 511 CG LEU A 717 29.337 8.631 13.901 1.00 1.00 C ATOM 512 CD1 LEU A 717 30.127 9.915 14.168 1.00 1.00 C ATOM 513 CD2 LEU A 717 28.367 8.873 12.743 1.00 1.00 C ATOM 0 H LEU A 717 32.013 5.782 13.290 1.00 1.00 H new ATOM 0 HA LEU A 717 31.825 8.097 14.902 1.00 1.00 H new ATOM 0 HB2 LEU A 717 30.839 7.765 12.616 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.712 6.599 13.280 1.00 1.00 H new ATOM 0 HG LEU A 717 28.793 8.356 14.804 1.00 1.00 H new ATOM 0 HD11 LEU A 717 29.439 10.715 14.441 1.00 1.00 H new ATOM 0 HD12 LEU A 717 30.830 9.747 14.984 1.00 1.00 H new ATOM 0 HD13 LEU A 717 30.675 10.198 13.270 1.00 1.00 H new ATOM 0 HD21 LEU A 717 27.684 9.681 13.004 1.00 1.00 H new ATOM 0 HD22 LEU A 717 28.928 9.146 11.849 1.00 1.00 H new ATOM 0 HD23 LEU A 717 27.797 7.964 12.550 1.00 1.00 H new ATOM 525 N LEU A 718 30.083 5.488 15.938 1.00 1.00 N ATOM 526 CA LEU A 718 29.369 4.963 17.104 1.00 1.00 C ATOM 527 C LEU A 718 30.286 4.927 18.329 1.00 1.00 C ATOM 528 O LEU A 718 29.864 5.270 19.434 1.00 1.00 O ATOM 529 CB LEU A 718 28.843 3.553 16.814 1.00 1.00 C ATOM 530 CG LEU A 718 27.737 3.613 15.753 1.00 1.00 C ATOM 531 CD1 LEU A 718 27.334 2.192 15.358 1.00 1.00 C ATOM 532 CD2 LEU A 718 26.509 4.350 16.304 1.00 1.00 C ATOM 0 H LEU A 718 30.208 4.820 15.177 1.00 1.00 H new ATOM 0 HA LEU A 718 28.528 5.625 17.313 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.657 2.917 16.467 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.456 3.105 17.729 1.00 1.00 H new ATOM 0 HG LEU A 718 28.114 4.150 14.882 1.00 1.00 H new ATOM 0 HD11 LEU A 718 26.548 2.233 14.604 1.00 1.00 H new ATOM 0 HD12 LEU A 718 28.199 1.668 14.952 1.00 1.00 H new ATOM 0 HD13 LEU A 718 26.967 1.661 16.236 1.00 1.00 H new ATOM 0 HD21 LEU A 718 25.732 4.385 15.540 1.00 1.00 H new ATOM 0 HD22 LEU A 718 26.132 3.824 17.181 1.00 1.00 H new ATOM 0 HD23 LEU A 718 26.789 5.366 16.583 1.00 1.00 H new ATOM 544 N ILE A 719 31.534 4.509 18.132 1.00 1.00 N ATOM 545 CA ILE A 719 32.491 4.431 19.237 1.00 1.00 C ATOM 546 C ILE A 719 32.767 5.804 19.841 1.00 1.00 C ATOM 547 O ILE A 719 32.845 5.954 21.060 1.00 1.00 O ATOM 548 CB ILE A 719 33.811 3.825 18.756 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.613 2.342 18.431 1.00 1.00 C ATOM 550 CG2 ILE A 719 34.864 3.973 19.857 1.00 1.00 C ATOM 551 CD1 ILE A 719 34.842 1.813 17.688 1.00 1.00 C ATOM 0 H ILE A 719 31.906 4.221 17.227 1.00 1.00 H new ATOM 0 HA ILE A 719 32.047 3.796 20.004 1.00 1.00 H new ATOM 0 HB ILE A 719 34.144 4.345 17.858 1.00 1.00 H new ATOM 0 HG12 ILE A 719 33.458 1.775 19.349 1.00 1.00 H new ATOM 0 HG13 ILE A 719 32.720 2.209 17.820 1.00 1.00 H new ATOM 0 HG21 ILE A 719 35.807 3.543 19.519 1.00 1.00 H new ATOM 0 HG22 ILE A 719 35.008 5.030 20.083 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.528 3.452 20.754 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.701 0.757 17.457 1.00 1.00 H new ATOM 0 HD12 ILE A 719 34.976 2.372 16.762 1.00 1.00 H new ATOM 0 HD13 ILE A 719 35.726 1.932 18.315 1.00 1.00 H new ATOM 563 N THR A 720 32.917 6.798 18.975 1.00 1.00 N ATOM 564 CA THR A 720 33.187 8.165 19.412 1.00 1.00 C ATOM 565 C THR A 720 32.031 8.716 20.246 1.00 1.00 C ATOM 566 O THR A 720 32.243 9.404 21.242 1.00 1.00 O ATOM 567 CB THR A 720 33.420 9.063 18.199 1.00 1.00 C ATOM 568 OG1 THR A 720 34.571 8.615 17.499 1.00 1.00 O ATOM 569 CG2 THR A 720 33.635 10.504 18.661 1.00 1.00 C ATOM 0 H THR A 720 32.856 6.684 17.963 1.00 1.00 H new ATOM 0 HA THR A 720 34.082 8.151 20.034 1.00 1.00 H new ATOM 0 HB THR A 720 32.551 9.020 17.542 1.00 1.00 H new ATOM 0 HG1 THR A 720 34.723 9.188 16.719 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.801 11.143 17.794 1.00 1.00 H new ATOM 0 HG22 THR A 720 32.753 10.848 19.202 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.504 10.550 19.317 1.00 1.00 H new ATOM 577 N ILE A 721 30.808 8.425 19.814 1.00 1.00 N ATOM 578 CA ILE A 721 29.607 8.900 20.489 1.00 1.00 C ATOM 579 C ILE A 721 29.479 8.360 21.911 1.00 1.00 C ATOM 580 O ILE A 721 29.091 9.096 22.819 1.00 1.00 O ATOM 581 CB ILE A 721 28.366 8.517 19.682 1.00 1.00 C ATOM 582 CG1 ILE A 721 28.338 9.335 18.387 1.00 1.00 C ATOM 583 CG2 ILE A 721 27.114 8.816 20.507 1.00 1.00 C ATOM 584 CD1 ILE A 721 27.311 8.741 17.421 1.00 1.00 C ATOM 0 H ILE A 721 30.623 7.855 18.989 1.00 1.00 H new ATOM 0 HA ILE A 721 29.690 9.985 20.558 1.00 1.00 H new ATOM 0 HB ILE A 721 28.394 7.454 19.441 1.00 1.00 H new ATOM 0 HG12 ILE A 721 28.086 10.373 18.607 1.00 1.00 H new ATOM 0 HG13 ILE A 721 29.326 9.337 17.926 1.00 1.00 H new ATOM 0 HG21 ILE A 721 26.227 8.544 19.934 1.00 1.00 H new ATOM 0 HG22 ILE A 721 27.141 8.238 21.431 1.00 1.00 H new ATOM 0 HG23 ILE A 721 27.080 9.879 20.745 1.00 1.00 H new ATOM 0 HD11 ILE A 721 27.295 9.326 16.502 1.00 1.00 H new ATOM 0 HD12 ILE A 721 27.582 7.711 17.190 1.00 1.00 H new ATOM 0 HD13 ILE A 721 26.323 8.762 17.882 1.00 1.00 H new ATOM 596 N HIS A 722 29.802 7.088 22.120 1.00 1.00 N ATOM 597 CA HIS A 722 29.699 6.531 23.465 1.00 1.00 C ATOM 598 C HIS A 722 30.498 7.398 24.432 1.00 1.00 C ATOM 599 O HIS A 722 30.011 7.756 25.505 1.00 1.00 O ATOM 600 CB HIS A 722 30.232 5.094 23.492 1.00 1.00 C ATOM 601 CG HIS A 722 29.249 4.179 22.814 1.00 1.00 C ATOM 602 ND1 HIS A 722 29.088 4.158 21.438 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.367 3.248 23.308 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.143 3.243 21.154 1.00 1.00 C ATOM 605 NE2 HIS A 722 27.670 2.660 22.258 1.00 1.00 N ATOM 0 H HIS A 722 30.127 6.441 21.402 1.00 1.00 H new ATOM 0 HA HIS A 722 28.651 6.517 23.765 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.198 5.044 22.989 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.392 4.774 24.522 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.594 4.732 20.763 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.235 3.009 24.353 1.00 1.00 H new ATOM 0 HE1 HIS A 722 27.808 3.009 20.154 1.00 1.00 H new ATOM 613 N ASP A 723 31.724 7.737 24.045 1.00 1.00 N ATOM 614 CA ASP A 723 32.584 8.570 24.883 1.00 1.00 C ATOM 615 C ASP A 723 32.528 10.022 24.415 1.00 1.00 C ATOM 616 O ASP A 723 32.961 10.345 23.307 1.00 1.00 O ATOM 617 CB ASP A 723 34.026 8.066 24.811 1.00 1.00 C ATOM 618 CG ASP A 723 34.137 6.704 25.487 1.00 1.00 C ATOM 619 OD1 ASP A 723 33.195 6.320 26.160 1.00 1.00 O ATOM 620 OD2 ASP A 723 35.162 6.064 25.322 1.00 1.00 O ATOM 0 H ASP A 723 32.144 7.450 23.161 1.00 1.00 H new ATOM 0 HA ASP A 723 32.231 8.513 25.913 1.00 1.00 H new ATOM 0 HB2 ASP A 723 34.342 7.992 23.771 1.00 1.00 H new ATOM 0 HB3 ASP A 723 34.693 8.778 25.297 1.00 1.00 H new ATOM 625 N ARG A 724 31.993 10.895 25.262 1.00 1.00 N ATOM 626 CA ARG A 724 31.886 12.308 24.913 1.00 1.00 C ATOM 627 C ARG A 724 33.268 12.925 24.730 1.00 1.00 C ATOM 628 O ARG A 724 33.473 13.756 23.842 1.00 1.00 O ATOM 629 CB ARG A 724 31.121 13.070 25.998 1.00 1.00 C ATOM 630 CG ARG A 724 29.643 12.677 25.951 1.00 1.00 C ATOM 631 CD ARG A 724 28.867 13.460 27.011 1.00 1.00 C ATOM 632 NE ARG A 724 27.462 13.070 26.998 1.00 1.00 N ATOM 633 CZ ARG A 724 26.598 13.634 26.162 1.00 1.00 C ATOM 634 NH1 ARG A 724 26.997 14.560 25.335 1.00 1.00 N ATOM 635 NH2 ARG A 724 25.346 13.264 26.168 1.00 1.00 N ATOM 0 H ARG A 724 31.631 10.654 26.184 1.00 1.00 H new ATOM 0 HA ARG A 724 31.341 12.383 23.972 1.00 1.00 H new ATOM 0 HB2 ARG A 724 31.538 12.843 26.979 1.00 1.00 H new ATOM 0 HB3 ARG A 724 31.228 14.144 25.847 1.00 1.00 H new ATOM 0 HG2 ARG A 724 29.234 12.882 24.962 1.00 1.00 H new ATOM 0 HG3 ARG A 724 29.536 11.606 26.125 1.00 1.00 H new ATOM 0 HD2 ARG A 724 29.294 13.274 27.996 1.00 1.00 H new ATOM 0 HD3 ARG A 724 28.957 14.530 26.822 1.00 1.00 H new ATOM 0 HE ARG A 724 27.137 12.350 27.643 1.00 1.00 H new ATOM 0 HH11 ARG A 724 27.974 14.852 25.330 1.00 1.00 H new ATOM 0 HH12 ARG A 724 26.332 14.992 24.694 1.00 1.00 H new ATOM 0 HH21 ARG A 724 25.031 12.541 26.815 1.00 1.00 H new ATOM 0 HH22 ARG A 724 24.683 13.698 25.526 1.00 1.00 H new ATOM 649 N LYS A 725 34.215 12.517 25.572 1.00 1.00 N ATOM 650 CA LYS A 725 35.573 13.040 25.490 1.00 1.00 C ATOM 651 C LYS A 725 36.520 11.990 24.913 1.00 1.00 C ATOM 652 O LYS A 725 36.447 10.812 25.263 1.00 1.00 O ATOM 653 CB LYS A 725 36.056 13.463 26.880 1.00 1.00 C ATOM 654 CG LYS A 725 35.242 14.671 27.354 1.00 1.00 C ATOM 655 CD LYS A 725 35.713 15.097 28.748 1.00 1.00 C ATOM 656 CE LYS A 725 34.915 16.320 29.204 1.00 1.00 C ATOM 657 NZ LYS A 725 35.345 16.714 30.577 1.00 1.00 N ATOM 0 H LYS A 725 34.067 11.831 26.313 1.00 1.00 H new ATOM 0 HA LYS A 725 35.569 13.907 24.830 1.00 1.00 H new ATOM 0 HB2 LYS A 725 35.945 12.637 27.583 1.00 1.00 H new ATOM 0 HB3 LYS A 725 37.116 13.714 26.848 1.00 1.00 H new ATOM 0 HG2 LYS A 725 35.357 15.497 26.652 1.00 1.00 H new ATOM 0 HG3 LYS A 725 34.182 14.420 27.379 1.00 1.00 H new ATOM 0 HD2 LYS A 725 35.579 14.278 29.455 1.00 1.00 H new ATOM 0 HD3 LYS A 725 36.777 15.331 28.728 1.00 1.00 H new ATOM 0 HE2 LYS A 725 35.071 17.147 28.512 1.00 1.00 H new ATOM 0 HE3 LYS A 725 33.849 16.095 29.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 34.802 17.545 30.886 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 35.175 15.926 31.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 36.359 16.946 30.570 1.00 1.00 H new ATOM 671 N GLU A 726 37.406 12.431 24.024 1.00 1.00 N ATOM 672 CA GLU A 726 38.365 11.527 23.395 1.00 1.00 C ATOM 673 C GLU A 726 39.346 10.982 24.427 1.00 1.00 C ATOM 674 O GLU A 726 39.748 9.820 24.359 1.00 1.00 O ATOM 675 CB GLU A 726 39.133 12.259 22.292 1.00 1.00 C ATOM 676 CG GLU A 726 38.182 12.589 21.139 1.00 1.00 C ATOM 677 CD GLU A 726 38.911 13.398 20.072 1.00 1.00 C ATOM 678 OE1 GLU A 726 40.112 13.570 20.203 1.00 1.00 O ATOM 679 OE2 GLU A 726 38.257 13.838 19.141 1.00 1.00 O ATOM 0 H GLU A 726 37.480 13.403 23.724 1.00 1.00 H new ATOM 0 HA GLU A 726 37.815 10.693 22.959 1.00 1.00 H new ATOM 0 HB2 GLU A 726 39.574 13.174 22.687 1.00 1.00 H new ATOM 0 HB3 GLU A 726 39.955 11.639 21.933 1.00 1.00 H new ATOM 0 HG2 GLU A 726 37.792 11.669 20.705 1.00 1.00 H new ATOM 0 HG3 GLU A 726 37.327 13.153 21.513 1.00 1.00 H new ATOM 686 N PHE A 727 39.731 11.826 25.378 1.00 1.00 N ATOM 687 CA PHE A 727 40.666 11.414 26.419 1.00 1.00 C ATOM 688 C PHE A 727 40.456 12.238 27.685 1.00 1.00 C ATOM 689 O PHE A 727 40.394 13.451 27.577 1.00 1.00 O ATOM 690 CB PHE A 727 42.105 11.590 25.927 1.00 1.00 C ATOM 691 CG PHE A 727 42.390 13.057 25.713 1.00 1.00 C ATOM 692 CD1 PHE A 727 42.872 13.836 26.772 1.00 1.00 C ATOM 693 CD2 PHE A 727 42.172 13.642 24.458 1.00 1.00 C ATOM 694 CE1 PHE A 727 43.136 15.196 26.577 1.00 1.00 C ATOM 695 CE2 PHE A 727 42.436 15.002 24.264 1.00 1.00 C ATOM 696 CZ PHE A 727 42.918 15.779 25.324 1.00 1.00 C ATOM 697 OXT PHE A 727 40.362 11.641 28.746 1.00 1.00 O ATOM 0 H PHE A 727 39.413 12.793 25.450 1.00 1.00 H new ATOM 0 HA PHE A 727 40.485 10.364 26.648 1.00 1.00 H new ATOM 0 HB2 PHE A 727 42.802 11.176 26.655 1.00 1.00 H new ATOM 0 HB3 PHE A 727 42.252 11.041 24.997 1.00 1.00 H new ATOM 0 HD1 PHE A 727 43.040 13.387 27.740 1.00 1.00 H new ATOM 0 HD2 PHE A 727 41.800 13.042 23.640 1.00 1.00 H new ATOM 0 HE1 PHE A 727 43.508 15.796 27.394 1.00 1.00 H new ATOM 0 HE2 PHE A 727 42.268 15.452 23.297 1.00 1.00 H new ATOM 0 HZ PHE A 727 43.122 16.829 25.174 1.00 1.00 H new TER 707 PHE A 727