USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=4 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 -72:sc= 1.07 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 79:sc= 1.19 USER MOD Single : A 701 MET CE :methyl 152:sc= -0.226 (180deg=-0.993) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot -150:sc= -0.923 USER MOD Single : A 722 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=-0.43) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 12.334 -2.164 -16.530 1.00 1.00 N ATOM 2 CA PRO A 685 10.895 -1.838 -16.679 1.00 1.00 C ATOM 3 C PRO A 685 10.161 -2.177 -15.382 1.00 1.00 C ATOM 4 O PRO A 685 9.084 -1.647 -15.113 1.00 1.00 O ATOM 5 CB PRO A 685 10.340 -2.663 -17.836 1.00 1.00 C ATOM 6 CG PRO A 685 11.551 -3.156 -18.561 1.00 1.00 C ATOM 7 CD PRO A 685 12.699 -3.193 -17.544 1.00 1.00 C ATOM 0 HA PRO A 685 10.759 -0.776 -16.885 1.00 1.00 H new ATOM 0 HB2 PRO A 685 9.729 -3.491 -17.476 1.00 1.00 H new ATOM 0 HB3 PRO A 685 9.707 -2.059 -18.486 1.00 1.00 H new ATOM 0 HG2 PRO A 685 11.374 -4.147 -18.978 1.00 1.00 H new ATOM 0 HG3 PRO A 685 11.796 -2.498 -19.395 1.00 1.00 H new ATOM 0 HD2 PRO A 685 12.796 -4.180 -17.091 1.00 1.00 H new ATOM 0 HD3 PRO A 685 13.654 -2.964 -18.016 1.00 1.00 H new ATOM 17 N GLU A 686 10.748 -3.069 -14.589 1.00 1.00 N ATOM 18 CA GLU A 686 10.141 -3.477 -13.327 1.00 1.00 C ATOM 19 C GLU A 686 10.104 -2.309 -12.337 1.00 1.00 C ATOM 20 O GLU A 686 9.104 -2.103 -11.647 1.00 1.00 O ATOM 21 CB GLU A 686 10.936 -4.641 -12.734 1.00 1.00 C ATOM 22 CG GLU A 686 10.228 -5.169 -11.483 1.00 1.00 C ATOM 23 CD GLU A 686 11.014 -6.338 -10.900 1.00 1.00 C ATOM 24 OE1 GLU A 686 12.159 -6.510 -11.287 1.00 1.00 O ATOM 25 OE2 GLU A 686 10.455 -7.049 -10.083 1.00 1.00 O ATOM 0 H GLU A 686 11.639 -3.521 -14.797 1.00 1.00 H new ATOM 0 HA GLU A 686 9.115 -3.793 -13.517 1.00 1.00 H new ATOM 0 HB2 GLU A 686 11.035 -5.438 -13.471 1.00 1.00 H new ATOM 0 HB3 GLU A 686 11.944 -4.313 -12.481 1.00 1.00 H new ATOM 0 HG2 GLU A 686 10.137 -4.374 -10.742 1.00 1.00 H new ATOM 0 HG3 GLU A 686 9.216 -5.488 -11.734 1.00 1.00 H new ATOM 32 N SER A 687 11.193 -1.542 -12.278 1.00 1.00 N ATOM 33 CA SER A 687 11.265 -0.391 -11.375 1.00 1.00 C ATOM 34 C SER A 687 12.570 0.379 -11.572 1.00 1.00 C ATOM 35 O SER A 687 13.309 0.623 -10.618 1.00 1.00 O ATOM 36 CB SER A 687 11.159 -0.844 -9.920 1.00 1.00 C ATOM 37 OG SER A 687 11.544 0.229 -9.069 1.00 1.00 O ATOM 0 H SER A 687 12.031 -1.694 -12.839 1.00 1.00 H new ATOM 0 HA SER A 687 10.428 0.267 -11.611 1.00 1.00 H new ATOM 0 HB2 SER A 687 10.138 -1.154 -9.696 1.00 1.00 H new ATOM 0 HB3 SER A 687 11.800 -1.709 -9.748 1.00 1.00 H new ATOM 0 HG SER A 687 12.514 0.360 -9.126 1.00 1.00 H new ATOM 43 N PRO A 688 12.855 0.766 -12.787 1.00 1.00 N ATOM 44 CA PRO A 688 14.095 1.533 -13.125 1.00 1.00 C ATOM 45 C PRO A 688 14.088 2.936 -12.525 1.00 1.00 C ATOM 46 O PRO A 688 15.141 3.540 -12.312 1.00 1.00 O ATOM 47 CB PRO A 688 14.077 1.599 -14.653 1.00 1.00 C ATOM 48 CG PRO A 688 12.648 1.411 -15.044 1.00 1.00 C ATOM 49 CD PRO A 688 12.021 0.521 -13.974 1.00 1.00 C ATOM 0 HA PRO A 688 14.989 1.057 -12.723 1.00 1.00 H new ATOM 0 HB2 PRO A 688 14.459 2.556 -15.009 1.00 1.00 H new ATOM 0 HB3 PRO A 688 14.708 0.823 -15.087 1.00 1.00 H new ATOM 0 HG2 PRO A 688 12.132 2.369 -15.103 1.00 1.00 H new ATOM 0 HG3 PRO A 688 12.572 0.948 -16.028 1.00 1.00 H new ATOM 0 HD2 PRO A 688 10.979 0.785 -13.793 1.00 1.00 H new ATOM 0 HD3 PRO A 688 12.038 -0.529 -14.266 1.00 1.00 H new ATOM 57 N LYS A 689 12.893 3.447 -12.257 1.00 1.00 N ATOM 58 CA LYS A 689 12.747 4.780 -11.686 1.00 1.00 C ATOM 59 C LYS A 689 13.380 4.844 -10.301 1.00 1.00 C ATOM 60 O LYS A 689 14.027 5.829 -9.949 1.00 1.00 O ATOM 61 CB LYS A 689 11.261 5.145 -11.592 1.00 1.00 C ATOM 62 CG LYS A 689 10.695 5.349 -12.999 1.00 1.00 C ATOM 63 CD LYS A 689 9.212 5.725 -12.905 1.00 1.00 C ATOM 64 CE LYS A 689 8.662 6.007 -14.306 1.00 1.00 C ATOM 65 NZ LYS A 689 7.232 6.421 -14.203 1.00 1.00 N ATOM 0 H LYS A 689 12.013 2.960 -12.425 1.00 1.00 H new ATOM 0 HA LYS A 689 13.256 5.492 -12.335 1.00 1.00 H new ATOM 0 HB2 LYS A 689 10.713 4.354 -11.079 1.00 1.00 H new ATOM 0 HB3 LYS A 689 11.135 6.053 -11.003 1.00 1.00 H new ATOM 0 HG2 LYS A 689 11.248 6.134 -13.514 1.00 1.00 H new ATOM 0 HG3 LYS A 689 10.813 4.438 -13.586 1.00 1.00 H new ATOM 0 HD2 LYS A 689 8.650 4.915 -12.439 1.00 1.00 H new ATOM 0 HD3 LYS A 689 9.089 6.604 -12.272 1.00 1.00 H new ATOM 0 HE2 LYS A 689 9.246 6.792 -14.787 1.00 1.00 H new ATOM 0 HE3 LYS A 689 8.750 5.117 -14.929 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 6.857 6.613 -15.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 6.681 5.658 -13.761 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 7.161 7.281 -13.623 1.00 1.00 H new ATOM 79 N GLY A 690 13.183 3.791 -9.515 1.00 1.00 N ATOM 80 CA GLY A 690 13.733 3.741 -8.165 1.00 1.00 C ATOM 81 C GLY A 690 13.155 4.863 -7.311 1.00 1.00 C ATOM 82 O GLY A 690 13.851 5.813 -6.959 1.00 1.00 O ATOM 0 H GLY A 690 12.650 2.965 -9.787 1.00 1.00 H new ATOM 0 HA2 GLY A 690 13.508 2.777 -7.710 1.00 1.00 H new ATOM 0 HA3 GLY A 690 14.819 3.829 -8.205 1.00 1.00 H new ATOM 86 N PRO A 691 11.896 4.768 -6.992 1.00 1.00 N ATOM 87 CA PRO A 691 11.192 5.796 -6.174 1.00 1.00 C ATOM 88 C PRO A 691 11.898 6.037 -4.843 1.00 1.00 C ATOM 89 O PRO A 691 11.974 7.165 -4.359 1.00 1.00 O ATOM 90 CB PRO A 691 9.802 5.201 -5.936 1.00 1.00 C ATOM 91 CG PRO A 691 9.617 4.139 -6.976 1.00 1.00 C ATOM 92 CD PRO A 691 11.011 3.659 -7.377 1.00 1.00 C ATOM 0 HA PRO A 691 11.164 6.763 -6.677 1.00 1.00 H new ATOM 0 HB2 PRO A 691 9.725 4.781 -4.933 1.00 1.00 H new ATOM 0 HB3 PRO A 691 9.031 5.967 -6.021 1.00 1.00 H new ATOM 0 HG2 PRO A 691 9.023 3.314 -6.583 1.00 1.00 H new ATOM 0 HG3 PRO A 691 9.082 4.534 -7.840 1.00 1.00 H new ATOM 0 HD2 PRO A 691 11.279 2.737 -6.861 1.00 1.00 H new ATOM 0 HD3 PRO A 691 11.070 3.454 -8.446 1.00 1.00 H new ATOM 100 N ASP A 692 12.397 4.953 -4.253 1.00 1.00 N ATOM 101 CA ASP A 692 13.082 5.033 -2.967 1.00 1.00 C ATOM 102 C ASP A 692 14.574 5.315 -3.155 1.00 1.00 C ATOM 103 O ASP A 692 15.324 4.481 -3.653 1.00 1.00 O ATOM 104 CB ASP A 692 12.904 3.719 -2.210 1.00 1.00 C ATOM 105 CG ASP A 692 11.460 3.575 -1.743 1.00 1.00 C ATOM 106 OD1 ASP A 692 10.756 4.572 -1.743 1.00 1.00 O ATOM 107 OD2 ASP A 692 11.077 2.470 -1.396 1.00 1.00 O ATOM 0 H ASP A 692 12.340 4.013 -4.644 1.00 1.00 H new ATOM 0 HA ASP A 692 12.646 5.853 -2.397 1.00 1.00 H new ATOM 0 HB2 ASP A 692 13.172 2.881 -2.853 1.00 1.00 H new ATOM 0 HB3 ASP A 692 13.576 3.690 -1.353 1.00 1.00 H new ATOM 112 N ILE A 693 14.979 6.506 -2.737 1.00 1.00 N ATOM 113 CA ILE A 693 16.382 6.899 -2.845 1.00 1.00 C ATOM 114 C ILE A 693 17.231 6.199 -1.772 1.00 1.00 C ATOM 115 O ILE A 693 18.420 5.943 -1.972 1.00 1.00 O ATOM 116 CB ILE A 693 16.509 8.422 -2.704 1.00 1.00 C ATOM 117 CG1 ILE A 693 15.977 8.867 -1.338 1.00 1.00 C ATOM 118 CG2 ILE A 693 15.704 9.113 -3.806 1.00 1.00 C ATOM 119 CD1 ILE A 693 16.167 10.377 -1.194 1.00 1.00 C ATOM 0 H ILE A 693 14.367 7.211 -2.325 1.00 1.00 H new ATOM 0 HA ILE A 693 16.751 6.595 -3.825 1.00 1.00 H new ATOM 0 HB ILE A 693 17.560 8.697 -2.791 1.00 1.00 H new ATOM 0 HG12 ILE A 693 14.922 8.610 -1.244 1.00 1.00 H new ATOM 0 HG13 ILE A 693 16.505 8.344 -0.541 1.00 1.00 H new ATOM 0 HG21 ILE A 693 15.797 10.194 -3.701 1.00 1.00 H new ATOM 0 HG22 ILE A 693 16.085 8.808 -4.781 1.00 1.00 H new ATOM 0 HG23 ILE A 693 14.655 8.830 -3.722 1.00 1.00 H new ATOM 0 HD11 ILE A 693 15.790 10.700 -0.224 1.00 1.00 H new ATOM 0 HD12 ILE A 693 17.227 10.619 -1.271 1.00 1.00 H new ATOM 0 HD13 ILE A 693 15.619 10.890 -1.985 1.00 1.00 H new ATOM 131 N LEU A 694 16.614 5.925 -0.625 1.00 1.00 N ATOM 132 CA LEU A 694 17.309 5.291 0.501 1.00 1.00 C ATOM 133 C LEU A 694 17.794 3.875 0.182 1.00 1.00 C ATOM 134 O LEU A 694 18.899 3.493 0.566 1.00 1.00 O ATOM 135 CB LEU A 694 16.373 5.217 1.708 1.00 1.00 C ATOM 136 CG LEU A 694 16.106 6.625 2.253 1.00 1.00 C ATOM 137 CD1 LEU A 694 14.987 6.563 3.294 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.374 7.199 2.906 1.00 1.00 C ATOM 0 H LEU A 694 15.631 6.131 -0.447 1.00 1.00 H new ATOM 0 HA LEU A 694 18.183 5.907 0.713 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.433 4.745 1.421 1.00 1.00 H new ATOM 0 HB3 LEU A 694 16.817 4.596 2.485 1.00 1.00 H new ATOM 0 HG LEU A 694 15.811 7.271 1.426 1.00 1.00 H new ATOM 0 HD11 LEU A 694 14.796 7.563 3.683 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.080 6.174 2.831 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.287 5.907 4.112 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.166 8.199 3.287 1.00 1.00 H new ATOM 0 HD22 LEU A 694 17.684 6.554 3.728 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.172 7.252 2.166 1.00 1.00 H new ATOM 150 N VAL A 695 16.955 3.090 -0.480 1.00 1.00 N ATOM 151 CA VAL A 695 17.313 1.708 -0.788 1.00 1.00 C ATOM 152 C VAL A 695 18.521 1.642 -1.716 1.00 1.00 C ATOM 153 O VAL A 695 19.377 0.772 -1.562 1.00 1.00 O ATOM 154 CB VAL A 695 16.138 0.946 -1.418 1.00 1.00 C ATOM 155 CG1 VAL A 695 14.863 1.135 -0.585 1.00 1.00 C ATOM 156 CG2 VAL A 695 15.907 1.450 -2.841 1.00 1.00 C ATOM 0 H VAL A 695 16.034 3.379 -0.811 1.00 1.00 H new ATOM 0 HA VAL A 695 17.568 1.232 0.158 1.00 1.00 H new ATOM 0 HB VAL A 695 16.381 -0.116 -1.442 1.00 1.00 H new ATOM 0 HG11 VAL A 695 14.042 0.588 -1.048 1.00 1.00 H new ATOM 0 HG12 VAL A 695 15.028 0.757 0.424 1.00 1.00 H new ATOM 0 HG13 VAL A 695 14.612 2.195 -0.539 1.00 1.00 H new ATOM 0 HG21 VAL A 695 15.073 0.909 -3.288 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.677 2.515 -2.817 1.00 1.00 H new ATOM 0 HG23 VAL A 695 16.806 1.286 -3.435 1.00 1.00 H new ATOM 166 N VAL A 696 18.601 2.569 -2.670 1.00 1.00 N ATOM 167 CA VAL A 696 19.737 2.577 -3.590 1.00 1.00 C ATOM 168 C VAL A 696 21.032 2.782 -2.808 1.00 1.00 C ATOM 169 O VAL A 696 22.011 2.060 -2.999 1.00 1.00 O ATOM 170 CB VAL A 696 19.591 3.705 -4.616 1.00 1.00 C ATOM 171 CG1 VAL A 696 20.869 3.804 -5.454 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.402 3.420 -5.535 1.00 1.00 C ATOM 0 H VAL A 696 17.913 3.306 -2.824 1.00 1.00 H new ATOM 0 HA VAL A 696 19.764 1.620 -4.112 1.00 1.00 H new ATOM 0 HB VAL A 696 19.424 4.646 -4.092 1.00 1.00 H new ATOM 0 HG11 VAL A 696 20.764 4.607 -6.184 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.716 4.015 -4.802 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.037 2.861 -5.974 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.303 4.226 -6.263 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.564 2.477 -6.057 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.491 3.354 -4.941 1.00 1.00 H new ATOM 182 N LEU A 697 21.018 3.786 -1.932 1.00 1.00 N ATOM 183 CA LEU A 697 22.199 4.086 -1.126 1.00 1.00 C ATOM 184 C LEU A 697 22.536 2.923 -0.197 1.00 1.00 C ATOM 185 O LEU A 697 23.704 2.583 -0.010 1.00 1.00 O ATOM 186 CB LEU A 697 21.981 5.357 -0.300 1.00 1.00 C ATOM 187 CG LEU A 697 22.401 6.592 -1.116 1.00 1.00 C ATOM 188 CD1 LEU A 697 23.925 6.607 -1.315 1.00 1.00 C ATOM 189 CD2 LEU A 697 21.717 6.561 -2.486 1.00 1.00 C ATOM 0 H LEU A 697 20.217 4.395 -1.764 1.00 1.00 H new ATOM 0 HA LEU A 697 23.034 4.243 -1.808 1.00 1.00 H new ATOM 0 HB2 LEU A 697 20.933 5.439 -0.014 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.560 5.306 0.622 1.00 1.00 H new ATOM 0 HG LEU A 697 22.101 7.488 -0.572 1.00 1.00 H new ATOM 0 HD11 LEU A 697 24.208 7.486 -1.894 1.00 1.00 H new ATOM 0 HD12 LEU A 697 24.418 6.638 -0.344 1.00 1.00 H new ATOM 0 HD13 LEU A 697 24.231 5.707 -1.849 1.00 1.00 H new ATOM 0 HD21 LEU A 697 22.016 7.437 -3.062 1.00 1.00 H new ATOM 0 HD22 LEU A 697 22.012 5.658 -3.020 1.00 1.00 H new ATOM 0 HD23 LEU A 697 20.635 6.567 -2.353 1.00 1.00 H new ATOM 201 N LEU A 698 21.509 2.324 0.390 1.00 1.00 N ATOM 202 CA LEU A 698 21.699 1.203 1.302 1.00 1.00 C ATOM 203 C LEU A 698 22.325 -0.001 0.585 1.00 1.00 C ATOM 204 O LEU A 698 23.166 -0.699 1.150 1.00 1.00 O ATOM 205 CB LEU A 698 20.356 0.805 1.930 1.00 1.00 C ATOM 206 CG LEU A 698 19.914 1.880 2.937 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.433 1.696 3.270 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.728 1.766 4.234 1.00 1.00 C ATOM 0 H LEU A 698 20.536 2.595 0.251 1.00 1.00 H new ATOM 0 HA LEU A 698 22.385 1.519 2.088 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.601 0.689 1.153 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.449 -0.159 2.430 1.00 1.00 H new ATOM 0 HG LEU A 698 20.080 2.860 2.490 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.123 2.459 3.984 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.841 1.789 2.359 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.278 0.708 3.705 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.403 2.534 4.936 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.573 0.782 4.675 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.787 1.902 4.012 1.00 1.00 H new ATOM 220 N SER A 699 21.902 -0.236 -0.661 1.00 1.00 N ATOM 221 CA SER A 699 22.413 -1.356 -1.458 1.00 1.00 C ATOM 222 C SER A 699 23.897 -1.197 -1.797 1.00 1.00 C ATOM 223 O SER A 699 24.662 -2.158 -1.708 1.00 1.00 O ATOM 224 CB SER A 699 21.610 -1.474 -2.753 1.00 1.00 C ATOM 225 OG SER A 699 20.242 -1.702 -2.438 1.00 1.00 O ATOM 0 H SER A 699 21.206 0.335 -1.140 1.00 1.00 H new ATOM 0 HA SER A 699 22.304 -2.259 -0.858 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.712 -0.563 -3.342 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.996 -2.292 -3.361 1.00 1.00 H new ATOM 0 HG SER A 699 19.818 -0.855 -2.187 1.00 1.00 H new ATOM 231 N VAL A 700 24.301 0.002 -2.204 1.00 1.00 N ATOM 232 CA VAL A 700 25.707 0.202 -2.564 1.00 1.00 C ATOM 233 C VAL A 700 26.605 -0.005 -1.348 1.00 1.00 C ATOM 234 O VAL A 700 27.691 -0.575 -1.465 1.00 1.00 O ATOM 235 CB VAL A 700 25.951 1.594 -3.158 1.00 1.00 C ATOM 236 CG1 VAL A 700 25.384 1.665 -4.580 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.266 2.642 -2.295 1.00 1.00 C ATOM 0 H VAL A 700 23.704 0.824 -2.292 1.00 1.00 H new ATOM 0 HA VAL A 700 25.953 -0.537 -3.326 1.00 1.00 H new ATOM 0 HB VAL A 700 27.024 1.783 -3.188 1.00 1.00 H new ATOM 0 HG11 VAL A 700 25.562 2.658 -4.994 1.00 1.00 H new ATOM 0 HG12 VAL A 700 25.874 0.918 -5.205 1.00 1.00 H new ATOM 0 HG13 VAL A 700 24.312 1.470 -4.554 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.440 3.632 -2.718 1.00 1.00 H new ATOM 0 HG22 VAL A 700 24.195 2.444 -2.264 1.00 1.00 H new ATOM 0 HG23 VAL A 700 25.672 2.603 -1.284 1.00 1.00 H new ATOM 247 N MET A 701 26.170 0.486 -0.188 1.00 1.00 N ATOM 248 CA MET A 701 26.975 0.368 1.023 1.00 1.00 C ATOM 249 C MET A 701 27.210 -1.089 1.405 1.00 1.00 C ATOM 250 O MET A 701 28.316 -1.459 1.794 1.00 1.00 O ATOM 251 CB MET A 701 26.287 1.078 2.188 1.00 1.00 C ATOM 252 CG MET A 701 26.437 2.591 2.036 1.00 1.00 C ATOM 253 SD MET A 701 25.625 3.418 3.430 1.00 1.00 S ATOM 254 CE MET A 701 26.777 2.901 4.734 1.00 1.00 C ATOM 0 H MET A 701 25.277 0.963 -0.063 1.00 1.00 H new ATOM 0 HA MET A 701 27.938 0.834 0.815 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.231 0.809 2.216 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.724 0.753 3.132 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.492 2.862 2.003 1.00 1.00 H new ATOM 0 HG3 MET A 701 25.994 2.919 1.096 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.784 3.646 5.530 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.460 1.940 5.139 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.780 2.807 4.317 1.00 1.00 H new ATOM 264 N GLY A 702 26.176 -1.913 1.303 1.00 1.00 N ATOM 265 CA GLY A 702 26.313 -3.319 1.659 1.00 1.00 C ATOM 266 C GLY A 702 27.237 -4.047 0.691 1.00 1.00 C ATOM 267 O GLY A 702 28.071 -4.850 1.100 1.00 1.00 O ATOM 0 H GLY A 702 25.247 -1.639 0.982 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.705 -3.403 2.673 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.332 -3.794 1.656 1.00 1.00 H new ATOM 271 N ALA A 703 27.059 -3.787 -0.598 1.00 1.00 N ATOM 272 CA ALA A 703 27.855 -4.450 -1.627 1.00 1.00 C ATOM 273 C ALA A 703 29.353 -4.240 -1.430 1.00 1.00 C ATOM 274 O ALA A 703 30.135 -5.190 -1.480 1.00 1.00 O ATOM 275 CB ALA A 703 27.453 -3.922 -3.005 1.00 1.00 C ATOM 0 H ALA A 703 26.372 -3.123 -0.957 1.00 1.00 H new ATOM 0 HA ALA A 703 27.656 -5.519 -1.550 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.048 -4.418 -3.772 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.396 -4.125 -3.178 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.628 -2.847 -3.048 1.00 1.00 H new ATOM 281 N ILE A 704 29.743 -2.987 -1.219 1.00 1.00 N ATOM 282 CA ILE A 704 31.157 -2.679 -1.032 1.00 1.00 C ATOM 283 C ILE A 704 31.700 -3.314 0.251 1.00 1.00 C ATOM 284 O ILE A 704 32.826 -3.803 0.276 1.00 1.00 O ATOM 285 CB ILE A 704 31.390 -1.160 -1.035 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.892 -0.888 -0.912 1.00 1.00 C ATOM 287 CG2 ILE A 704 30.642 -0.499 0.122 1.00 1.00 C ATOM 288 CD1 ILE A 704 33.178 0.588 -1.191 1.00 1.00 C ATOM 0 H ILE A 704 29.116 -2.184 -1.174 1.00 1.00 H new ATOM 0 HA ILE A 704 31.705 -3.109 -1.871 1.00 1.00 H new ATOM 0 HB ILE A 704 31.013 -0.740 -1.967 1.00 1.00 H new ATOM 0 HG12 ILE A 704 33.238 -1.152 0.088 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.442 -1.513 -1.615 1.00 1.00 H new ATOM 0 HG21 ILE A 704 30.819 0.576 0.103 1.00 1.00 H new ATOM 0 HG22 ILE A 704 29.574 -0.692 0.023 1.00 1.00 H new ATOM 0 HG23 ILE A 704 30.998 -0.909 1.067 1.00 1.00 H new ATOM 0 HD11 ILE A 704 34.248 0.774 -1.102 1.00 1.00 H new ATOM 0 HD12 ILE A 704 32.849 0.838 -2.200 1.00 1.00 H new ATOM 0 HD13 ILE A 704 32.641 1.205 -0.471 1.00 1.00 H new ATOM 300 N LEU A 705 30.911 -3.294 1.318 1.00 1.00 N ATOM 301 CA LEU A 705 31.352 -3.863 2.593 1.00 1.00 C ATOM 302 C LEU A 705 31.573 -5.373 2.491 1.00 1.00 C ATOM 303 O LEU A 705 32.553 -5.897 3.021 1.00 1.00 O ATOM 304 CB LEU A 705 30.303 -3.570 3.675 1.00 1.00 C ATOM 305 CG LEU A 705 30.744 -4.132 5.036 1.00 1.00 C ATOM 306 CD1 LEU A 705 32.100 -3.546 5.441 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.703 -3.748 6.091 1.00 1.00 C ATOM 0 H LEU A 705 29.972 -2.896 1.331 1.00 1.00 H new ATOM 0 HA LEU A 705 32.303 -3.401 2.857 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.148 -2.494 3.755 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.347 -4.009 3.389 1.00 1.00 H new ATOM 0 HG LEU A 705 30.832 -5.216 4.962 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.399 -3.954 6.407 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.847 -3.805 4.691 1.00 1.00 H new ATOM 0 HD13 LEU A 705 32.020 -2.461 5.514 1.00 1.00 H new ATOM 0 HD21 LEU A 705 30.006 -4.142 7.061 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.626 -2.662 6.148 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.735 -4.166 5.816 1.00 1.00 H new ATOM 319 N LEU A 706 30.656 -6.075 1.830 1.00 1.00 N ATOM 320 CA LEU A 706 30.764 -7.529 1.694 1.00 1.00 C ATOM 321 C LEU A 706 31.986 -7.969 0.876 1.00 1.00 C ATOM 322 O LEU A 706 32.665 -8.931 1.237 1.00 1.00 O ATOM 323 CB LEU A 706 29.485 -8.093 1.056 1.00 1.00 C ATOM 324 CG LEU A 706 28.442 -8.476 2.129 1.00 1.00 C ATOM 325 CD1 LEU A 706 28.855 -9.777 2.817 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.304 -7.376 3.190 1.00 1.00 C ATOM 0 H LEU A 706 29.835 -5.667 1.383 1.00 1.00 H new ATOM 0 HA LEU A 706 30.893 -7.928 2.700 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.058 -7.354 0.379 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.731 -8.969 0.457 1.00 1.00 H new ATOM 0 HG LEU A 706 27.482 -8.603 1.628 1.00 1.00 H new ATOM 0 HD11 LEU A 706 28.114 -10.040 3.572 1.00 1.00 H new ATOM 0 HD12 LEU A 706 28.919 -10.575 2.078 1.00 1.00 H new ATOM 0 HD13 LEU A 706 29.827 -9.645 3.293 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.563 -7.676 3.931 1.00 1.00 H new ATOM 0 HD22 LEU A 706 29.265 -7.221 3.681 1.00 1.00 H new ATOM 0 HD23 LEU A 706 27.986 -6.449 2.713 1.00 1.00 H new ATOM 338 N ILE A 707 32.265 -7.268 -0.229 1.00 1.00 N ATOM 339 CA ILE A 707 33.416 -7.632 -1.063 1.00 1.00 C ATOM 340 C ILE A 707 34.713 -7.409 -0.282 1.00 1.00 C ATOM 341 O ILE A 707 35.665 -8.181 -0.393 1.00 1.00 O ATOM 342 CB ILE A 707 33.430 -6.826 -2.380 1.00 1.00 C ATOM 343 CG1 ILE A 707 34.065 -7.672 -3.491 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.251 -5.542 -2.217 1.00 1.00 C ATOM 345 CD1 ILE A 707 34.025 -6.905 -4.819 1.00 1.00 C ATOM 0 H ILE A 707 31.727 -6.467 -0.560 1.00 1.00 H new ATOM 0 HA ILE A 707 33.333 -8.687 -1.323 1.00 1.00 H new ATOM 0 HB ILE A 707 32.402 -6.568 -2.637 1.00 1.00 H new ATOM 0 HG12 ILE A 707 35.096 -7.914 -3.232 1.00 1.00 H new ATOM 0 HG13 ILE A 707 33.531 -8.617 -3.591 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.249 -4.987 -3.155 1.00 1.00 H new ATOM 0 HG22 ILE A 707 33.812 -4.927 -1.431 1.00 1.00 H new ATOM 0 HG23 ILE A 707 35.276 -5.797 -1.948 1.00 1.00 H new ATOM 0 HD11 ILE A 707 34.478 -7.512 -5.603 1.00 1.00 H new ATOM 0 HD12 ILE A 707 32.990 -6.686 -5.081 1.00 1.00 H new ATOM 0 HD13 ILE A 707 34.579 -5.972 -4.717 1.00 1.00 H new ATOM 357 N GLY A 708 34.727 -6.347 0.514 1.00 1.00 N ATOM 358 CA GLY A 708 35.901 -6.034 1.319 1.00 1.00 C ATOM 359 C GLY A 708 36.201 -7.180 2.282 1.00 1.00 C ATOM 360 O GLY A 708 37.355 -7.548 2.484 1.00 1.00 O ATOM 0 H GLY A 708 33.949 -5.695 0.619 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.760 -5.860 0.671 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.732 -5.114 1.879 1.00 1.00 H new ATOM 364 N LEU A 709 35.148 -7.745 2.863 1.00 1.00 N ATOM 365 CA LEU A 709 35.316 -8.853 3.802 1.00 1.00 C ATOM 366 C LEU A 709 35.965 -10.041 3.109 1.00 1.00 C ATOM 367 O LEU A 709 36.866 -10.678 3.655 1.00 1.00 O ATOM 368 CB LEU A 709 33.959 -9.284 4.354 1.00 1.00 C ATOM 369 CG LEU A 709 33.422 -8.223 5.327 1.00 1.00 C ATOM 370 CD1 LEU A 709 31.963 -8.534 5.684 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.261 -8.214 6.614 1.00 1.00 C ATOM 0 H LEU A 709 34.181 -7.461 2.705 1.00 1.00 H new ATOM 0 HA LEU A 709 35.955 -8.515 4.618 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.254 -9.427 3.535 1.00 1.00 H new ATOM 0 HB3 LEU A 709 34.054 -10.242 4.865 1.00 1.00 H new ATOM 0 HG LEU A 709 33.483 -7.247 4.846 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.588 -7.778 6.374 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.358 -8.530 4.777 1.00 1.00 H new ATOM 0 HD13 LEU A 709 31.905 -9.516 6.154 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.872 -7.459 7.297 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.209 -9.194 7.089 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.298 -7.983 6.371 1.00 1.00 H new ATOM 383 N ALA A 710 35.497 -10.329 1.905 1.00 1.00 N ATOM 384 CA ALA A 710 36.037 -11.444 1.141 1.00 1.00 C ATOM 385 C ALA A 710 37.515 -11.211 0.842 1.00 1.00 C ATOM 386 O ALA A 710 38.314 -12.148 0.851 1.00 1.00 O ATOM 387 CB ALA A 710 35.266 -11.598 -0.171 1.00 1.00 C ATOM 0 H ALA A 710 34.752 -9.812 1.438 1.00 1.00 H new ATOM 0 HA ALA A 710 35.933 -12.355 1.730 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.675 -12.434 -0.738 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.214 -11.786 0.045 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.358 -10.683 -0.757 1.00 1.00 H new ATOM 393 N ALA A 711 37.865 -9.959 0.572 1.00 1.00 N ATOM 394 CA ALA A 711 39.252 -9.623 0.266 1.00 1.00 C ATOM 395 C ALA A 711 40.168 -9.866 1.472 1.00 1.00 C ATOM 396 O ALA A 711 41.237 -10.460 1.334 1.00 1.00 O ATOM 397 CB ALA A 711 39.347 -8.162 -0.168 1.00 1.00 C ATOM 0 H ALA A 711 37.219 -9.170 0.558 1.00 1.00 H new ATOM 0 HA ALA A 711 39.584 -10.271 -0.546 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.384 -7.917 -0.395 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.734 -8.006 -1.056 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.990 -7.519 0.637 1.00 1.00 H new ATOM 403 N LEU A 712 39.759 -9.385 2.646 1.00 1.00 N ATOM 404 CA LEU A 712 40.567 -9.540 3.856 1.00 1.00 C ATOM 405 C LEU A 712 40.723 -11.009 4.234 1.00 1.00 C ATOM 406 O LEU A 712 41.787 -11.435 4.683 1.00 1.00 O ATOM 407 CB LEU A 712 39.945 -8.768 5.025 1.00 1.00 C ATOM 408 CG LEU A 712 40.456 -7.318 5.044 1.00 1.00 C ATOM 409 CD1 LEU A 712 40.031 -6.578 3.774 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.869 -6.595 6.258 1.00 1.00 C ATOM 0 H LEU A 712 38.879 -8.888 2.785 1.00 1.00 H new ATOM 0 HA LEU A 712 41.555 -9.131 3.644 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.859 -8.776 4.937 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.192 -9.260 5.966 1.00 1.00 H new ATOM 0 HG LEU A 712 41.545 -7.332 5.098 1.00 1.00 H new ATOM 0 HD11 LEU A 712 40.403 -5.554 3.808 1.00 1.00 H new ATOM 0 HD12 LEU A 712 40.444 -7.085 2.902 1.00 1.00 H new ATOM 0 HD13 LEU A 712 38.943 -6.567 3.706 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.228 -5.566 6.277 1.00 1.00 H new ATOM 0 HD22 LEU A 712 38.781 -6.599 6.193 1.00 1.00 H new ATOM 0 HD23 LEU A 712 40.180 -7.105 7.170 1.00 1.00 H new ATOM 422 N LEU A 713 39.651 -11.776 4.075 1.00 1.00 N ATOM 423 CA LEU A 713 39.687 -13.189 4.426 1.00 1.00 C ATOM 424 C LEU A 713 40.699 -13.957 3.585 1.00 1.00 C ATOM 425 O LEU A 713 41.463 -14.771 4.104 1.00 1.00 O ATOM 426 CB LEU A 713 38.306 -13.817 4.236 1.00 1.00 C ATOM 427 CG LEU A 713 37.344 -13.328 5.326 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.930 -13.815 5.007 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.769 -13.877 6.696 1.00 1.00 C ATOM 0 H LEU A 713 38.757 -11.448 3.710 1.00 1.00 H new ATOM 0 HA LEU A 713 39.988 -13.252 5.472 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.914 -13.558 3.253 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.385 -14.904 4.272 1.00 1.00 H new ATOM 0 HG LEU A 713 37.367 -12.239 5.356 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.243 -13.469 5.780 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.618 -13.419 4.041 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.919 -14.904 4.973 1.00 1.00 H new ATOM 0 HD21 LEU A 713 37.078 -13.522 7.460 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.755 -14.967 6.672 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.776 -13.532 6.930 1.00 1.00 H new ATOM 441 N ILE A 714 40.723 -13.671 2.286 1.00 1.00 N ATOM 442 CA ILE A 714 41.672 -14.321 1.392 1.00 1.00 C ATOM 443 C ILE A 714 43.082 -13.936 1.817 1.00 1.00 C ATOM 444 O ILE A 714 43.977 -14.769 1.891 1.00 1.00 O ATOM 445 CB ILE A 714 41.433 -13.861 -0.049 1.00 1.00 C ATOM 446 CG1 ILE A 714 40.086 -14.391 -0.543 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.548 -14.403 -0.942 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.672 -13.640 -1.810 1.00 1.00 C ATOM 0 H ILE A 714 40.102 -13.000 1.834 1.00 1.00 H new ATOM 0 HA ILE A 714 41.543 -15.402 1.444 1.00 1.00 H new ATOM 0 HB ILE A 714 41.427 -12.772 -0.085 1.00 1.00 H new ATOM 0 HG12 ILE A 714 40.157 -15.459 -0.748 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.328 -14.265 0.230 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.382 -14.078 -1.969 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.509 -14.026 -0.593 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.549 -15.492 -0.902 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.712 -14.019 -2.160 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.584 -12.576 -1.590 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.425 -13.789 -2.584 1.00 1.00 H new ATOM 460 N TRP A 715 43.254 -12.659 2.109 1.00 1.00 N ATOM 461 CA TRP A 715 44.564 -12.190 2.537 1.00 1.00 C ATOM 462 C TRP A 715 45.011 -13.022 3.750 1.00 1.00 C ATOM 463 O TRP A 715 46.123 -13.555 3.780 1.00 1.00 O ATOM 464 CB TRP A 715 44.455 -10.701 2.889 1.00 1.00 C ATOM 465 CG TRP A 715 45.747 -10.154 3.412 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.959 -10.758 3.351 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.956 -8.886 4.096 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.895 -9.933 3.949 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.324 -8.770 4.426 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.092 -7.835 4.457 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.822 -7.648 5.091 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.588 -6.706 5.126 1.00 1.00 C ATOM 473 CH2 TRP A 715 46.951 -6.613 5.444 1.00 1.00 C ATOM 0 H TRP A 715 42.528 -11.944 2.061 1.00 1.00 H new ATOM 0 HA TRP A 715 45.306 -12.307 1.747 1.00 1.00 H new ATOM 0 HB2 TRP A 715 44.155 -10.140 2.004 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.673 -10.561 3.635 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.160 -11.723 2.909 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.887 -10.157 4.028 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.041 -7.898 4.217 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.873 -7.580 5.331 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 44.917 -5.904 5.398 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.327 -5.743 5.961 1.00 1.00 H new ATOM 484 N LYS A 716 44.123 -13.144 4.740 1.00 1.00 N ATOM 485 CA LYS A 716 44.420 -13.922 5.944 1.00 1.00 C ATOM 486 C LYS A 716 44.689 -15.379 5.574 1.00 1.00 C ATOM 487 O LYS A 716 45.582 -16.012 6.136 1.00 1.00 O ATOM 488 CB LYS A 716 43.230 -13.836 6.920 1.00 1.00 C ATOM 489 CG LYS A 716 43.494 -14.537 8.281 1.00 1.00 C ATOM 490 CD LYS A 716 44.335 -13.703 9.288 1.00 1.00 C ATOM 491 CE LYS A 716 45.819 -13.591 8.915 1.00 1.00 C ATOM 492 NZ LYS A 716 46.585 -13.117 10.102 1.00 1.00 N ATOM 0 H LYS A 716 43.197 -12.716 4.732 1.00 1.00 H new ATOM 0 HA LYS A 716 45.309 -13.514 6.424 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.993 -12.787 7.100 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.354 -14.285 6.453 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.536 -14.779 8.741 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.006 -15.481 8.095 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.911 -12.701 9.358 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.252 -14.154 10.277 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.198 -14.558 8.585 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.947 -12.898 8.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.593 -13.039 9.856 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.227 -12.186 10.397 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.471 -13.795 10.882 1.00 1.00 H new ATOM 506 N LEU A 717 43.922 -15.892 4.614 1.00 1.00 N ATOM 507 CA LEU A 717 44.094 -17.272 4.157 1.00 1.00 C ATOM 508 C LEU A 717 45.497 -17.441 3.579 1.00 1.00 C ATOM 509 O LEU A 717 46.138 -18.469 3.789 1.00 1.00 O ATOM 510 CB LEU A 717 43.042 -17.598 3.091 1.00 1.00 C ATOM 511 CG LEU A 717 43.190 -19.044 2.607 1.00 1.00 C ATOM 512 CD1 LEU A 717 43.036 -20.012 3.781 1.00 1.00 C ATOM 513 CD2 LEU A 717 42.102 -19.337 1.570 1.00 1.00 C ATOM 0 H LEU A 717 43.180 -15.378 4.139 1.00 1.00 H new ATOM 0 HA LEU A 717 43.967 -17.955 4.997 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.043 -17.447 3.501 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.147 -16.915 2.248 1.00 1.00 H new ATOM 0 HG LEU A 717 44.178 -19.174 2.165 1.00 1.00 H new ATOM 0 HD11 LEU A 717 43.143 -21.036 3.424 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.804 -19.805 4.526 1.00 1.00 H new ATOM 0 HD13 LEU A 717 42.051 -19.885 4.230 1.00 1.00 H new ATOM 0 HD21 LEU A 717 42.200 -20.365 1.220 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.120 -19.200 2.024 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.210 -18.655 0.727 1.00 1.00 H new ATOM 525 N LEU A 718 45.963 -16.453 2.825 1.00 1.00 N ATOM 526 CA LEU A 718 47.281 -16.554 2.207 1.00 1.00 C ATOM 527 C LEU A 718 48.378 -16.679 3.256 1.00 1.00 C ATOM 528 O LEU A 718 49.302 -17.477 3.109 1.00 1.00 O ATOM 529 CB LEU A 718 47.557 -15.322 1.339 1.00 1.00 C ATOM 530 CG LEU A 718 46.649 -15.333 0.095 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.823 -14.031 -0.695 1.00 1.00 C ATOM 532 CD2 LEU A 718 47.004 -16.518 -0.808 1.00 1.00 C ATOM 0 H LEU A 718 45.460 -15.588 2.628 1.00 1.00 H new ATOM 0 HA LEU A 718 47.284 -17.451 1.588 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.383 -14.415 1.917 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.603 -15.310 1.034 1.00 1.00 H new ATOM 0 HG LEU A 718 45.614 -15.425 0.424 1.00 1.00 H new ATOM 0 HD11 LEU A 718 46.177 -14.049 -1.573 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.555 -13.184 -0.064 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.862 -13.933 -1.011 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.355 -16.515 -1.684 1.00 1.00 H new ATOM 0 HD22 LEU A 718 48.043 -16.435 -1.126 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.866 -17.449 -0.258 1.00 1.00 H new ATOM 544 N ILE A 719 48.297 -15.854 4.292 1.00 1.00 N ATOM 545 CA ILE A 719 49.319 -15.856 5.332 1.00 1.00 C ATOM 546 C ILE A 719 49.080 -16.919 6.402 1.00 1.00 C ATOM 547 O ILE A 719 50.033 -17.522 6.892 1.00 1.00 O ATOM 548 CB ILE A 719 49.391 -14.476 5.985 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.750 -13.437 4.918 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.465 -14.487 7.076 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.619 -12.027 5.497 1.00 1.00 C ATOM 0 H ILE A 719 47.543 -15.182 4.435 1.00 1.00 H new ATOM 0 HA ILE A 719 50.265 -16.099 4.848 1.00 1.00 H new ATOM 0 HB ILE A 719 48.428 -14.225 6.430 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.768 -13.602 4.566 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.093 -13.547 4.055 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.519 -13.504 7.544 1.00 1.00 H new ATOM 0 HG22 ILE A 719 50.211 -15.233 7.829 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.431 -14.731 6.633 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.876 -11.294 4.732 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.593 -11.863 5.827 1.00 1.00 H new ATOM 0 HD13 ILE A 719 50.295 -11.918 6.345 1.00 1.00 H new ATOM 563 N THR A 720 47.830 -17.161 6.770 1.00 1.00 N ATOM 564 CA THR A 720 47.542 -18.171 7.783 1.00 1.00 C ATOM 565 C THR A 720 47.962 -19.560 7.316 1.00 1.00 C ATOM 566 O THR A 720 48.563 -20.319 8.074 1.00 1.00 O ATOM 567 CB THR A 720 46.053 -18.176 8.116 1.00 1.00 C ATOM 568 OG1 THR A 720 45.696 -16.926 8.685 1.00 1.00 O ATOM 569 CG2 THR A 720 45.755 -19.304 9.103 1.00 1.00 C ATOM 0 H THR A 720 47.012 -16.683 6.392 1.00 1.00 H new ATOM 0 HA THR A 720 48.115 -17.918 8.675 1.00 1.00 H new ATOM 0 HB THR A 720 45.473 -18.336 7.207 1.00 1.00 H new ATOM 0 HG1 THR A 720 44.951 -17.051 9.309 1.00 1.00 H new ATOM 0 HG21 THR A 720 44.691 -19.308 9.341 1.00 1.00 H new ATOM 0 HG22 THR A 720 46.030 -20.260 8.657 1.00 1.00 H new ATOM 0 HG23 THR A 720 46.330 -19.150 10.016 1.00 1.00 H new ATOM 577 N ILE A 721 47.647 -19.893 6.071 1.00 1.00 N ATOM 578 CA ILE A 721 48.011 -21.204 5.546 1.00 1.00 C ATOM 579 C ILE A 721 49.528 -21.346 5.465 1.00 1.00 C ATOM 580 O ILE A 721 50.089 -22.384 5.809 1.00 1.00 O ATOM 581 CB ILE A 721 47.407 -21.416 4.157 1.00 1.00 C ATOM 582 CG1 ILE A 721 47.668 -22.857 3.708 1.00 1.00 C ATOM 583 CG2 ILE A 721 48.052 -20.450 3.164 1.00 1.00 C ATOM 584 CD1 ILE A 721 46.830 -23.169 2.465 1.00 1.00 C ATOM 0 H ILE A 721 47.150 -19.288 5.417 1.00 1.00 H new ATOM 0 HA ILE A 721 47.616 -21.959 6.226 1.00 1.00 H new ATOM 0 HB ILE A 721 46.333 -21.231 4.195 1.00 1.00 H new ATOM 0 HG12 ILE A 721 48.727 -22.994 3.488 1.00 1.00 H new ATOM 0 HG13 ILE A 721 47.417 -23.550 4.511 1.00 1.00 H new ATOM 0 HG21 ILE A 721 47.620 -20.603 2.175 1.00 1.00 H new ATOM 0 HG22 ILE A 721 47.871 -19.424 3.484 1.00 1.00 H new ATOM 0 HG23 ILE A 721 49.126 -20.633 3.123 1.00 1.00 H new ATOM 0 HD11 ILE A 721 47.018 -24.195 2.148 1.00 1.00 H new ATOM 0 HD12 ILE A 721 45.772 -23.050 2.700 1.00 1.00 H new ATOM 0 HD13 ILE A 721 47.103 -22.485 1.661 1.00 1.00 H new ATOM 596 N HIS A 722 50.178 -20.286 5.003 1.00 1.00 N ATOM 597 CA HIS A 722 51.630 -20.276 4.867 1.00 1.00 C ATOM 598 C HIS A 722 52.295 -20.875 6.106 1.00 1.00 C ATOM 599 O HIS A 722 52.299 -20.261 7.172 1.00 1.00 O ATOM 600 CB HIS A 722 52.113 -18.837 4.673 1.00 1.00 C ATOM 601 CG HIS A 722 53.581 -18.835 4.347 1.00 1.00 C ATOM 602 ND1 HIS A 722 54.557 -18.792 5.331 1.00 1.00 N ATOM 603 CD2 HIS A 722 54.252 -18.862 3.152 1.00 1.00 C ATOM 604 CE1 HIS A 722 55.753 -18.794 4.714 1.00 1.00 C ATOM 605 NE2 HIS A 722 55.624 -18.835 3.386 1.00 1.00 N ATOM 0 H HIS A 722 49.722 -19.420 4.715 1.00 1.00 H new ATOM 0 HA HIS A 722 51.903 -20.879 4.001 1.00 1.00 H new ATOM 0 HB2 HIS A 722 51.552 -18.360 3.870 1.00 1.00 H new ATOM 0 HB3 HIS A 722 51.931 -18.257 5.578 1.00 1.00 H new ATOM 0 HD2 HIS A 722 53.787 -18.899 2.178 1.00 1.00 H new ATOM 0 HE1 HIS A 722 56.701 -18.766 5.230 1.00 1.00 H new ATOM 0 HE2 HIS A 722 56.371 -18.845 2.691 1.00 1.00 H new ATOM 613 N ASP A 723 52.858 -22.070 5.962 1.00 1.00 N ATOM 614 CA ASP A 723 53.527 -22.726 7.084 1.00 1.00 C ATOM 615 C ASP A 723 54.847 -22.018 7.408 1.00 1.00 C ATOM 616 O ASP A 723 55.570 -21.594 6.504 1.00 1.00 O ATOM 617 CB ASP A 723 53.813 -24.194 6.745 1.00 1.00 C ATOM 618 CG ASP A 723 52.544 -25.032 6.888 1.00 1.00 C ATOM 619 OD1 ASP A 723 51.546 -24.494 7.339 1.00 1.00 O ATOM 620 OD2 ASP A 723 52.592 -26.201 6.546 1.00 1.00 O ATOM 0 H ASP A 723 52.866 -22.601 5.091 1.00 1.00 H new ATOM 0 HA ASP A 723 52.869 -22.674 7.951 1.00 1.00 H new ATOM 0 HB2 ASP A 723 54.194 -24.271 5.727 1.00 1.00 H new ATOM 0 HB3 ASP A 723 54.589 -24.582 7.406 1.00 1.00 H new ATOM 625 N ARG A 724 55.153 -21.894 8.699 1.00 1.00 N ATOM 626 CA ARG A 724 56.388 -21.236 9.125 1.00 1.00 C ATOM 627 C ARG A 724 57.078 -22.062 10.212 1.00 1.00 C ATOM 628 O ARG A 724 56.424 -22.574 11.122 1.00 1.00 O ATOM 629 CB ARG A 724 56.077 -19.833 9.661 1.00 1.00 C ATOM 630 CG ARG A 724 57.388 -19.095 9.984 1.00 1.00 C ATOM 631 CD ARG A 724 57.075 -17.722 10.592 1.00 1.00 C ATOM 632 NE ARG A 724 58.292 -16.921 10.717 1.00 1.00 N ATOM 633 CZ ARG A 724 59.124 -17.065 11.747 1.00 1.00 C ATOM 634 NH1 ARG A 724 58.887 -17.966 12.661 1.00 1.00 N ATOM 635 NH2 ARG A 724 60.182 -16.304 11.841 1.00 1.00 N ATOM 0 H ARG A 724 54.569 -22.237 9.462 1.00 1.00 H new ATOM 0 HA ARG A 724 57.054 -21.152 8.266 1.00 1.00 H new ATOM 0 HB2 ARG A 724 55.505 -19.271 8.923 1.00 1.00 H new ATOM 0 HB3 ARG A 724 55.459 -19.905 10.556 1.00 1.00 H new ATOM 0 HG2 ARG A 724 57.985 -19.684 10.680 1.00 1.00 H new ATOM 0 HG3 ARG A 724 57.981 -18.975 9.078 1.00 1.00 H new ATOM 0 HD2 ARG A 724 56.352 -17.198 9.967 1.00 1.00 H new ATOM 0 HD3 ARG A 724 56.615 -17.849 11.572 1.00 1.00 H new ATOM 0 HE ARG A 724 58.510 -16.233 9.996 1.00 1.00 H new ATOM 0 HH11 ARG A 724 58.063 -18.562 12.588 1.00 1.00 H new ATOM 0 HH12 ARG A 724 59.526 -18.074 13.449 1.00 1.00 H new ATOM 0 HH21 ARG A 724 60.370 -15.601 11.126 1.00 1.00 H new ATOM 0 HH22 ARG A 724 60.820 -16.413 12.629 1.00 1.00 H new ATOM 649 N LYS A 725 58.401 -22.184 10.112 1.00 1.00 N ATOM 650 CA LYS A 725 59.160 -22.947 11.096 1.00 1.00 C ATOM 651 C LYS A 725 59.175 -22.209 12.429 1.00 1.00 C ATOM 652 O LYS A 725 59.338 -20.991 12.468 1.00 1.00 O ATOM 653 CB LYS A 725 60.601 -23.159 10.621 1.00 1.00 C ATOM 654 CG LYS A 725 61.306 -24.132 11.573 1.00 1.00 C ATOM 655 CD LYS A 725 62.732 -24.413 11.086 1.00 1.00 C ATOM 656 CE LYS A 725 63.397 -25.411 12.038 1.00 1.00 C ATOM 657 NZ LYS A 725 64.759 -25.758 11.538 1.00 1.00 N ATOM 0 H LYS A 725 58.962 -21.769 9.368 1.00 1.00 H new ATOM 0 HA LYS A 725 58.680 -23.918 11.219 1.00 1.00 H new ATOM 0 HB2 LYS A 725 60.608 -23.556 9.606 1.00 1.00 H new ATOM 0 HB3 LYS A 725 61.132 -22.207 10.595 1.00 1.00 H new ATOM 0 HG2 LYS A 725 61.334 -23.712 12.578 1.00 1.00 H new ATOM 0 HG3 LYS A 725 60.744 -25.064 11.633 1.00 1.00 H new ATOM 0 HD2 LYS A 725 62.711 -24.815 10.073 1.00 1.00 H new ATOM 0 HD3 LYS A 725 63.307 -23.487 11.050 1.00 1.00 H new ATOM 0 HE2 LYS A 725 63.465 -24.983 13.038 1.00 1.00 H new ATOM 0 HE3 LYS A 725 62.789 -26.312 12.118 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 65.205 -26.436 12.188 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 64.684 -26.184 10.592 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 65.339 -24.896 11.484 1.00 1.00 H new ATOM 671 N GLU A 726 58.996 -22.954 13.517 1.00 1.00 N ATOM 672 CA GLU A 726 58.984 -22.359 14.848 1.00 1.00 C ATOM 673 C GLU A 726 60.199 -22.815 15.648 1.00 1.00 C ATOM 674 O GLU A 726 60.903 -22.001 16.243 1.00 1.00 O ATOM 675 CB GLU A 726 57.702 -22.761 15.576 1.00 1.00 C ATOM 676 CG GLU A 726 56.501 -22.175 14.832 1.00 1.00 C ATOM 677 CD GLU A 726 55.209 -22.571 15.531 1.00 1.00 C ATOM 678 OE1 GLU A 726 55.294 -23.188 16.580 1.00 1.00 O ATOM 679 OE2 GLU A 726 54.154 -22.249 15.010 1.00 1.00 O ATOM 0 H GLU A 726 58.858 -23.965 13.503 1.00 1.00 H new ATOM 0 HA GLU A 726 59.022 -21.274 14.749 1.00 1.00 H new ATOM 0 HB2 GLU A 726 57.621 -23.847 15.624 1.00 1.00 H new ATOM 0 HB3 GLU A 726 57.723 -22.397 16.603 1.00 1.00 H new ATOM 0 HG2 GLU A 726 56.583 -21.089 14.791 1.00 1.00 H new ATOM 0 HG3 GLU A 726 56.491 -22.533 13.802 1.00 1.00 H new ATOM 686 N PHE A 727 60.444 -24.120 15.651 1.00 1.00 N ATOM 687 CA PHE A 727 61.585 -24.668 16.374 1.00 1.00 C ATOM 688 C PHE A 727 61.883 -26.088 15.912 1.00 1.00 C ATOM 689 O PHE A 727 60.981 -26.907 15.963 1.00 1.00 O ATOM 690 CB PHE A 727 61.310 -24.667 17.879 1.00 1.00 C ATOM 691 CG PHE A 727 62.569 -25.072 18.605 1.00 1.00 C ATOM 692 CD1 PHE A 727 63.614 -24.151 18.754 1.00 1.00 C ATOM 693 CD2 PHE A 727 62.697 -26.365 19.121 1.00 1.00 C ATOM 694 CE1 PHE A 727 64.788 -24.525 19.415 1.00 1.00 C ATOM 695 CE2 PHE A 727 63.872 -26.741 19.786 1.00 1.00 C ATOM 696 CZ PHE A 727 64.917 -25.821 19.933 1.00 1.00 C ATOM 697 OXT PHE A 727 63.011 -26.338 15.520 1.00 1.00 O ATOM 0 H PHE A 727 59.874 -24.813 15.166 1.00 1.00 H new ATOM 0 HA PHE A 727 62.451 -24.040 16.166 1.00 1.00 H new ATOM 0 HB2 PHE A 727 60.990 -23.677 18.203 1.00 1.00 H new ATOM 0 HB3 PHE A 727 60.500 -25.357 18.115 1.00 1.00 H new ATOM 0 HD1 PHE A 727 63.513 -23.151 18.358 1.00 1.00 H new ATOM 0 HD2 PHE A 727 61.890 -27.074 19.007 1.00 1.00 H new ATOM 0 HE1 PHE A 727 65.595 -23.816 19.526 1.00 1.00 H new ATOM 0 HE2 PHE A 727 63.971 -27.740 20.185 1.00 1.00 H new ATOM 0 HZ PHE A 727 65.823 -26.110 20.446 1.00 1.00 H new TER 707 PHE A 727