USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=5 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 73:sc= 0.182 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot -11:sc= -0.155 USER MOD Single : A 701 MET CE :methyl 154:sc= -0.148 (180deg=-1.03) USER MOD Single : A 720 THR OG1 : rot 88:sc= 0.942 USER MOD Single : A 722 HIS : no HE2:sc= 0.99 K(o=0.99,f=-3.2!) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 45.178 -28.559 3.221 1.00 1.00 N ATOM 2 CA PRO A 685 45.780 -29.796 2.668 1.00 1.00 C ATOM 3 C PRO A 685 44.886 -30.351 1.564 1.00 1.00 C ATOM 4 O PRO A 685 43.917 -29.710 1.156 1.00 1.00 O ATOM 5 CB PRO A 685 45.909 -30.812 3.800 1.00 1.00 C ATOM 6 CG PRO A 685 45.633 -30.036 5.050 1.00 1.00 C ATOM 7 CD PRO A 685 44.819 -28.796 4.647 1.00 1.00 C ATOM 0 HA PRO A 685 46.762 -29.585 2.245 1.00 1.00 H new ATOM 0 HB2 PRO A 685 45.199 -31.630 3.679 1.00 1.00 H new ATOM 0 HB3 PRO A 685 46.905 -31.254 3.822 1.00 1.00 H new ATOM 0 HG2 PRO A 685 45.079 -30.644 5.765 1.00 1.00 H new ATOM 0 HG3 PRO A 685 46.565 -29.744 5.534 1.00 1.00 H new ATOM 0 HD2 PRO A 685 43.749 -28.969 4.763 1.00 1.00 H new ATOM 0 HD3 PRO A 685 45.072 -27.937 5.268 1.00 1.00 H new ATOM 17 N GLU A 686 45.217 -31.547 1.085 1.00 1.00 N ATOM 18 CA GLU A 686 44.438 -32.181 0.027 1.00 1.00 C ATOM 19 C GLU A 686 44.158 -31.183 -1.094 1.00 1.00 C ATOM 20 O GLU A 686 44.929 -31.076 -2.048 1.00 1.00 O ATOM 21 CB GLU A 686 43.121 -32.721 0.606 1.00 1.00 C ATOM 22 CG GLU A 686 42.312 -33.448 -0.477 1.00 1.00 C ATOM 23 CD GLU A 686 43.012 -34.743 -0.876 1.00 1.00 C ATOM 24 OE1 GLU A 686 43.977 -35.101 -0.219 1.00 1.00 O ATOM 25 OE2 GLU A 686 42.568 -35.365 -1.828 1.00 1.00 O ATOM 0 H GLU A 686 46.014 -32.093 1.411 1.00 1.00 H new ATOM 0 HA GLU A 686 45.009 -33.012 -0.388 1.00 1.00 H new ATOM 0 HB2 GLU A 686 43.332 -33.404 1.429 1.00 1.00 H new ATOM 0 HB3 GLU A 686 42.534 -31.899 1.016 1.00 1.00 H new ATOM 0 HG2 GLU A 686 41.310 -33.666 -0.108 1.00 1.00 H new ATOM 0 HG3 GLU A 686 42.197 -32.804 -1.349 1.00 1.00 H new ATOM 32 N SER A 687 43.052 -30.452 -0.975 1.00 1.00 N ATOM 33 CA SER A 687 42.689 -29.466 -1.987 1.00 1.00 C ATOM 34 C SER A 687 43.588 -28.237 -1.882 1.00 1.00 C ATOM 35 O SER A 687 44.232 -28.016 -0.857 1.00 1.00 O ATOM 36 CB SER A 687 41.228 -29.050 -1.806 1.00 1.00 C ATOM 37 OG SER A 687 40.715 -29.639 -0.619 1.00 1.00 O ATOM 0 H SER A 687 42.398 -30.523 -0.196 1.00 1.00 H new ATOM 0 HA SER A 687 42.820 -29.915 -2.972 1.00 1.00 H new ATOM 0 HB2 SER A 687 41.152 -27.964 -1.749 1.00 1.00 H new ATOM 0 HB3 SER A 687 40.639 -29.366 -2.667 1.00 1.00 H new ATOM 0 HG SER A 687 41.096 -29.186 0.162 1.00 1.00 H new ATOM 43 N PRO A 688 43.640 -27.440 -2.916 1.00 1.00 N ATOM 44 CA PRO A 688 44.477 -26.203 -2.949 1.00 1.00 C ATOM 45 C PRO A 688 43.920 -25.100 -2.053 1.00 1.00 C ATOM 46 O PRO A 688 42.717 -25.041 -1.799 1.00 1.00 O ATOM 47 CB PRO A 688 44.453 -25.805 -4.423 1.00 1.00 C ATOM 48 CG PRO A 688 43.134 -26.292 -4.911 1.00 1.00 C ATOM 49 CD PRO A 688 42.894 -27.613 -4.177 1.00 1.00 C ATOM 0 HA PRO A 688 45.484 -26.369 -2.568 1.00 1.00 H new ATOM 0 HB2 PRO A 688 44.550 -24.726 -4.546 1.00 1.00 H new ATOM 0 HB3 PRO A 688 45.275 -26.263 -4.973 1.00 1.00 H new ATOM 0 HG2 PRO A 688 42.344 -25.573 -4.694 1.00 1.00 H new ATOM 0 HG3 PRO A 688 43.144 -26.438 -5.991 1.00 1.00 H new ATOM 0 HD2 PRO A 688 41.833 -27.786 -3.996 1.00 1.00 H new ATOM 0 HD3 PRO A 688 43.263 -28.464 -4.749 1.00 1.00 H new ATOM 57 N LYS A 689 44.803 -24.229 -1.576 1.00 1.00 N ATOM 58 CA LYS A 689 44.389 -23.133 -0.708 1.00 1.00 C ATOM 59 C LYS A 689 43.445 -22.191 -1.447 1.00 1.00 C ATOM 60 O LYS A 689 42.447 -21.736 -0.889 1.00 1.00 O ATOM 61 CB LYS A 689 45.615 -22.357 -0.222 1.00 1.00 C ATOM 62 CG LYS A 689 46.439 -23.245 0.718 1.00 1.00 C ATOM 63 CD LYS A 689 47.645 -22.476 1.276 1.00 1.00 C ATOM 64 CE LYS A 689 48.702 -22.267 0.186 1.00 1.00 C ATOM 65 NZ LYS A 689 49.949 -21.738 0.807 1.00 1.00 N ATOM 0 H LYS A 689 45.803 -24.260 -1.774 1.00 1.00 H new ATOM 0 HA LYS A 689 43.864 -23.553 0.150 1.00 1.00 H new ATOM 0 HB2 LYS A 689 46.223 -22.046 -1.072 1.00 1.00 H new ATOM 0 HB3 LYS A 689 45.303 -21.450 0.296 1.00 1.00 H new ATOM 0 HG2 LYS A 689 45.812 -23.593 1.539 1.00 1.00 H new ATOM 0 HG3 LYS A 689 46.782 -24.130 0.182 1.00 1.00 H new ATOM 0 HD2 LYS A 689 47.320 -21.511 1.665 1.00 1.00 H new ATOM 0 HD3 LYS A 689 48.079 -23.026 2.111 1.00 1.00 H new ATOM 0 HE2 LYS A 689 48.907 -23.208 -0.324 1.00 1.00 H new ATOM 0 HE3 LYS A 689 48.333 -21.570 -0.567 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 50.670 -21.595 0.071 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 49.746 -20.831 1.275 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 50.303 -22.418 1.510 1.00 1.00 H new ATOM 79 N GLY A 690 43.765 -21.899 -2.702 1.00 1.00 N ATOM 80 CA GLY A 690 42.936 -21.005 -3.501 1.00 1.00 C ATOM 81 C GLY A 690 43.325 -19.547 -3.271 1.00 1.00 C ATOM 82 O GLY A 690 42.483 -18.712 -2.941 1.00 1.00 O ATOM 0 H GLY A 690 44.585 -22.265 -3.185 1.00 1.00 H new ATOM 0 HA2 GLY A 690 43.043 -21.251 -4.557 1.00 1.00 H new ATOM 0 HA3 GLY A 690 41.887 -21.150 -3.244 1.00 1.00 H new ATOM 86 N PRO A 691 44.581 -19.230 -3.445 1.00 1.00 N ATOM 87 CA PRO A 691 45.098 -17.842 -3.255 1.00 1.00 C ATOM 88 C PRO A 691 44.515 -16.886 -4.289 1.00 1.00 C ATOM 89 O PRO A 691 44.478 -15.671 -4.080 1.00 1.00 O ATOM 90 CB PRO A 691 46.616 -17.985 -3.420 1.00 1.00 C ATOM 91 CG PRO A 691 46.813 -19.240 -4.204 1.00 1.00 C ATOM 92 CD PRO A 691 45.645 -20.159 -3.850 1.00 1.00 C ATOM 0 HA PRO A 691 44.821 -17.423 -2.288 1.00 1.00 H new ATOM 0 HB2 PRO A 691 47.037 -17.126 -3.942 1.00 1.00 H new ATOM 0 HB3 PRO A 691 47.113 -18.045 -2.452 1.00 1.00 H new ATOM 0 HG2 PRO A 691 46.832 -19.031 -5.274 1.00 1.00 H new ATOM 0 HG3 PRO A 691 47.765 -19.708 -3.954 1.00 1.00 H new ATOM 0 HD2 PRO A 691 45.342 -20.768 -4.702 1.00 1.00 H new ATOM 0 HD3 PRO A 691 45.905 -20.845 -3.044 1.00 1.00 H new ATOM 100 N ASP A 692 44.016 -17.442 -5.382 1.00 1.00 N ATOM 101 CA ASP A 692 43.397 -16.619 -6.417 1.00 1.00 C ATOM 102 C ASP A 692 42.107 -16.010 -5.867 1.00 1.00 C ATOM 103 O ASP A 692 41.788 -14.851 -6.121 1.00 1.00 O ATOM 104 CB ASP A 692 43.082 -17.462 -7.660 1.00 1.00 C ATOM 105 CG ASP A 692 44.311 -17.562 -8.568 1.00 1.00 C ATOM 106 OD1 ASP A 692 45.303 -16.908 -8.280 1.00 1.00 O ATOM 107 OD2 ASP A 692 44.244 -18.298 -9.536 1.00 1.00 O ATOM 0 H ASP A 692 44.025 -18.443 -5.577 1.00 1.00 H new ATOM 0 HA ASP A 692 44.089 -15.827 -6.703 1.00 1.00 H new ATOM 0 HB2 ASP A 692 42.764 -18.460 -7.358 1.00 1.00 H new ATOM 0 HB3 ASP A 692 42.253 -17.015 -8.209 1.00 1.00 H new ATOM 112 N ILE A 693 41.375 -16.814 -5.105 1.00 1.00 N ATOM 113 CA ILE A 693 40.116 -16.393 -4.494 1.00 1.00 C ATOM 114 C ILE A 693 40.391 -15.312 -3.449 1.00 1.00 C ATOM 115 O ILE A 693 39.661 -14.321 -3.318 1.00 1.00 O ATOM 116 CB ILE A 693 39.430 -17.585 -3.833 1.00 1.00 C ATOM 117 CG1 ILE A 693 39.006 -18.570 -4.929 1.00 1.00 C ATOM 118 CG2 ILE A 693 38.198 -17.089 -3.072 1.00 1.00 C ATOM 119 CD1 ILE A 693 38.589 -19.891 -4.291 1.00 1.00 C ATOM 0 H ILE A 693 41.636 -17.777 -4.892 1.00 1.00 H new ATOM 0 HA ILE A 693 39.461 -15.992 -5.267 1.00 1.00 H new ATOM 0 HB ILE A 693 40.106 -18.080 -3.136 1.00 1.00 H new ATOM 0 HG12 ILE A 693 38.179 -18.155 -5.506 1.00 1.00 H new ATOM 0 HG13 ILE A 693 39.829 -18.733 -5.624 1.00 1.00 H new ATOM 0 HG21 ILE A 693 37.700 -17.934 -2.596 1.00 1.00 H new ATOM 0 HG22 ILE A 693 38.505 -16.372 -2.310 1.00 1.00 H new ATOM 0 HG23 ILE A 693 37.510 -16.608 -3.767 1.00 1.00 H new ATOM 0 HD11 ILE A 693 38.287 -20.592 -5.069 1.00 1.00 H new ATOM 0 HD12 ILE A 693 39.428 -20.307 -3.734 1.00 1.00 H new ATOM 0 HD13 ILE A 693 37.753 -19.720 -3.613 1.00 1.00 H new ATOM 131 N LEU A 694 41.441 -15.528 -2.677 1.00 1.00 N ATOM 132 CA LEU A 694 41.787 -14.553 -1.627 1.00 1.00 C ATOM 133 C LEU A 694 42.155 -13.215 -2.271 1.00 1.00 C ATOM 134 O LEU A 694 41.833 -12.125 -1.762 1.00 1.00 O ATOM 135 CB LEU A 694 42.939 -15.033 -0.732 1.00 1.00 C ATOM 136 CG LEU A 694 42.400 -15.939 0.383 1.00 1.00 C ATOM 137 CD1 LEU A 694 41.822 -17.212 -0.223 1.00 1.00 C ATOM 138 CD2 LEU A 694 43.548 -16.310 1.326 1.00 1.00 C ATOM 0 H LEU A 694 42.058 -16.337 -2.742 1.00 1.00 H new ATOM 0 HA LEU A 694 40.911 -14.438 -0.989 1.00 1.00 H new ATOM 0 HB2 LEU A 694 43.672 -15.575 -1.329 1.00 1.00 H new ATOM 0 HB3 LEU A 694 43.453 -14.176 -0.298 1.00 1.00 H new ATOM 0 HG LEU A 694 41.620 -15.412 0.933 1.00 1.00 H new ATOM 0 HD11 LEU A 694 41.440 -17.853 0.572 1.00 1.00 H new ATOM 0 HD12 LEU A 694 41.010 -16.955 -0.903 1.00 1.00 H new ATOM 0 HD13 LEU A 694 42.602 -17.740 -0.772 1.00 1.00 H new ATOM 0 HD21 LEU A 694 43.172 -16.954 2.121 1.00 1.00 H new ATOM 0 HD22 LEU A 694 44.322 -16.837 0.768 1.00 1.00 H new ATOM 0 HD23 LEU A 694 43.968 -15.404 1.762 1.00 1.00 H new ATOM 150 N VAL A 695 42.842 -13.300 -3.400 1.00 1.00 N ATOM 151 CA VAL A 695 43.249 -12.073 -4.102 1.00 1.00 C ATOM 152 C VAL A 695 42.011 -11.331 -4.570 1.00 1.00 C ATOM 153 O VAL A 695 41.892 -10.114 -4.419 1.00 1.00 O ATOM 154 CB VAL A 695 44.147 -12.394 -5.301 1.00 1.00 C ATOM 155 CG1 VAL A 695 44.372 -11.127 -6.135 1.00 1.00 C ATOM 156 CG2 VAL A 695 45.497 -12.913 -4.802 1.00 1.00 C ATOM 0 H VAL A 695 43.127 -14.172 -3.846 1.00 1.00 H new ATOM 0 HA VAL A 695 43.818 -11.450 -3.412 1.00 1.00 H new ATOM 0 HB VAL A 695 43.664 -13.153 -5.917 1.00 1.00 H new ATOM 0 HG11 VAL A 695 45.011 -11.361 -6.986 1.00 1.00 H new ATOM 0 HG12 VAL A 695 43.413 -10.752 -6.493 1.00 1.00 H new ATOM 0 HG13 VAL A 695 44.852 -10.366 -5.519 1.00 1.00 H new ATOM 0 HG21 VAL A 695 46.137 -13.142 -5.655 1.00 1.00 H new ATOM 0 HG22 VAL A 695 45.974 -12.152 -4.185 1.00 1.00 H new ATOM 0 HG23 VAL A 695 45.344 -13.816 -4.211 1.00 1.00 H new ATOM 166 N VAL A 696 41.080 -12.088 -5.129 1.00 1.00 N ATOM 167 CA VAL A 696 39.840 -11.521 -5.611 1.00 1.00 C ATOM 168 C VAL A 696 39.066 -10.925 -4.448 1.00 1.00 C ATOM 169 O VAL A 696 38.514 -9.830 -4.549 1.00 1.00 O ATOM 170 CB VAL A 696 38.997 -12.597 -6.299 1.00 1.00 C ATOM 171 CG1 VAL A 696 37.616 -12.028 -6.622 1.00 1.00 C ATOM 172 CG2 VAL A 696 39.684 -13.039 -7.595 1.00 1.00 C ATOM 0 H VAL A 696 41.164 -13.096 -5.258 1.00 1.00 H new ATOM 0 HA VAL A 696 40.066 -10.738 -6.335 1.00 1.00 H new ATOM 0 HB VAL A 696 38.893 -13.456 -5.636 1.00 1.00 H new ATOM 0 HG11 VAL A 696 37.013 -12.792 -7.112 1.00 1.00 H new ATOM 0 HG12 VAL A 696 37.126 -11.716 -5.700 1.00 1.00 H new ATOM 0 HG13 VAL A 696 37.722 -11.169 -7.285 1.00 1.00 H new ATOM 0 HG21 VAL A 696 39.082 -13.805 -8.083 1.00 1.00 H new ATOM 0 HG22 VAL A 696 39.790 -12.183 -8.261 1.00 1.00 H new ATOM 0 HG23 VAL A 696 40.669 -13.444 -7.365 1.00 1.00 H new ATOM 182 N LEU A 697 39.021 -11.654 -3.337 1.00 1.00 N ATOM 183 CA LEU A 697 38.298 -11.177 -2.162 1.00 1.00 C ATOM 184 C LEU A 697 38.905 -9.890 -1.599 1.00 1.00 C ATOM 185 O LEU A 697 38.177 -8.972 -1.227 1.00 1.00 O ATOM 186 CB LEU A 697 38.276 -12.254 -1.073 1.00 1.00 C ATOM 187 CG LEU A 697 37.346 -13.399 -1.498 1.00 1.00 C ATOM 188 CD1 LEU A 697 37.543 -14.590 -0.560 1.00 1.00 C ATOM 189 CD2 LEU A 697 35.878 -12.947 -1.434 1.00 1.00 C ATOM 0 H LEU A 697 39.469 -12.564 -3.225 1.00 1.00 H new ATOM 0 HA LEU A 697 37.279 -10.958 -2.480 1.00 1.00 H new ATOM 0 HB2 LEU A 697 39.283 -12.634 -0.904 1.00 1.00 H new ATOM 0 HB3 LEU A 697 37.934 -11.826 -0.131 1.00 1.00 H new ATOM 0 HG LEU A 697 37.588 -13.685 -2.522 1.00 1.00 H new ATOM 0 HD11 LEU A 697 36.883 -15.403 -0.861 1.00 1.00 H new ATOM 0 HD12 LEU A 697 38.579 -14.926 -0.611 1.00 1.00 H new ATOM 0 HD13 LEU A 697 37.308 -14.291 0.462 1.00 1.00 H new ATOM 0 HD21 LEU A 697 35.230 -13.769 -1.738 1.00 1.00 H new ATOM 0 HD22 LEU A 697 35.633 -12.650 -0.414 1.00 1.00 H new ATOM 0 HD23 LEU A 697 35.728 -12.101 -2.104 1.00 1.00 H new ATOM 201 N LEU A 698 40.230 -9.816 -1.539 1.00 1.00 N ATOM 202 CA LEU A 698 40.887 -8.620 -1.017 1.00 1.00 C ATOM 203 C LEU A 698 40.583 -7.440 -1.917 1.00 1.00 C ATOM 204 O LEU A 698 40.274 -6.344 -1.451 1.00 1.00 O ATOM 205 CB LEU A 698 42.400 -8.835 -0.927 1.00 1.00 C ATOM 206 CG LEU A 698 42.717 -9.835 0.191 1.00 1.00 C ATOM 207 CD1 LEU A 698 44.190 -10.238 0.110 1.00 1.00 C ATOM 208 CD2 LEU A 698 42.439 -9.208 1.564 1.00 1.00 C ATOM 0 H LEU A 698 40.863 -10.557 -1.840 1.00 1.00 H new ATOM 0 HA LEU A 698 40.508 -8.418 -0.015 1.00 1.00 H new ATOM 0 HB2 LEU A 698 42.781 -9.206 -1.878 1.00 1.00 H new ATOM 0 HB3 LEU A 698 42.900 -7.887 -0.732 1.00 1.00 H new ATOM 0 HG LEU A 698 42.083 -10.713 0.067 1.00 1.00 H new ATOM 0 HD11 LEU A 698 44.417 -10.949 0.904 1.00 1.00 H new ATOM 0 HD12 LEU A 698 44.388 -10.699 -0.857 1.00 1.00 H new ATOM 0 HD13 LEU A 698 44.816 -9.353 0.225 1.00 1.00 H new ATOM 0 HD21 LEU A 698 42.669 -9.930 2.347 1.00 1.00 H new ATOM 0 HD22 LEU A 698 43.062 -8.323 1.693 1.00 1.00 H new ATOM 0 HD23 LEU A 698 41.388 -8.925 1.629 1.00 1.00 H new ATOM 220 N SER A 699 40.655 -7.686 -3.216 1.00 1.00 N ATOM 221 CA SER A 699 40.370 -6.659 -4.195 1.00 1.00 C ATOM 222 C SER A 699 38.917 -6.228 -4.076 1.00 1.00 C ATOM 223 O SER A 699 38.584 -5.059 -4.263 1.00 1.00 O ATOM 224 CB SER A 699 40.648 -7.203 -5.593 1.00 1.00 C ATOM 225 OG SER A 699 39.833 -8.346 -5.812 1.00 1.00 O ATOM 0 H SER A 699 40.909 -8.591 -3.613 1.00 1.00 H new ATOM 0 HA SER A 699 41.008 -5.793 -4.016 1.00 1.00 H new ATOM 0 HB2 SER A 699 40.438 -6.441 -6.343 1.00 1.00 H new ATOM 0 HB3 SER A 699 41.701 -7.466 -5.693 1.00 1.00 H new ATOM 0 HG SER A 699 39.424 -8.623 -4.966 1.00 1.00 H new ATOM 231 N VAL A 700 38.054 -7.185 -3.749 1.00 1.00 N ATOM 232 CA VAL A 700 36.632 -6.891 -3.590 1.00 1.00 C ATOM 233 C VAL A 700 36.446 -5.963 -2.407 1.00 1.00 C ATOM 234 O VAL A 700 35.720 -4.972 -2.481 1.00 1.00 O ATOM 235 CB VAL A 700 35.838 -8.182 -3.371 1.00 1.00 C ATOM 236 CG1 VAL A 700 34.391 -7.841 -3.010 1.00 1.00 C ATOM 237 CG2 VAL A 700 35.859 -9.013 -4.655 1.00 1.00 C ATOM 0 H VAL A 700 38.309 -8.160 -3.590 1.00 1.00 H new ATOM 0 HA VAL A 700 36.263 -6.411 -4.496 1.00 1.00 H new ATOM 0 HB VAL A 700 36.289 -8.751 -2.558 1.00 1.00 H new ATOM 0 HG11 VAL A 700 33.828 -8.761 -2.855 1.00 1.00 H new ATOM 0 HG12 VAL A 700 34.374 -7.247 -2.096 1.00 1.00 H new ATOM 0 HG13 VAL A 700 33.938 -7.271 -3.821 1.00 1.00 H new ATOM 0 HG21 VAL A 700 35.295 -9.933 -4.502 1.00 1.00 H new ATOM 0 HG22 VAL A 700 35.408 -8.441 -5.466 1.00 1.00 H new ATOM 0 HG23 VAL A 700 36.889 -9.258 -4.913 1.00 1.00 H new ATOM 247 N MET A 701 37.127 -6.291 -1.318 1.00 1.00 N ATOM 248 CA MET A 701 37.051 -5.488 -0.113 1.00 1.00 C ATOM 249 C MET A 701 37.573 -4.093 -0.405 1.00 1.00 C ATOM 250 O MET A 701 37.020 -3.099 0.069 1.00 1.00 O ATOM 251 CB MET A 701 37.885 -6.133 1.002 1.00 1.00 C ATOM 252 CG MET A 701 37.742 -5.312 2.285 1.00 1.00 C ATOM 253 SD MET A 701 38.658 -6.118 3.623 1.00 1.00 S ATOM 254 CE MET A 701 40.325 -5.857 2.965 1.00 1.00 C ATOM 0 H MET A 701 37.736 -7.106 -1.247 1.00 1.00 H new ATOM 0 HA MET A 701 36.013 -5.427 0.215 1.00 1.00 H new ATOM 0 HB2 MET A 701 37.553 -7.157 1.174 1.00 1.00 H new ATOM 0 HB3 MET A 701 38.932 -6.184 0.705 1.00 1.00 H new ATOM 0 HG2 MET A 701 38.121 -4.302 2.127 1.00 1.00 H new ATOM 0 HG3 MET A 701 36.690 -5.219 2.555 1.00 1.00 H new ATOM 0 HE1 MET A 701 41.042 -5.845 3.786 1.00 1.00 H new ATOM 0 HE2 MET A 701 40.575 -6.664 2.277 1.00 1.00 H new ATOM 0 HE3 MET A 701 40.362 -4.905 2.436 1.00 1.00 H new ATOM 264 N GLY A 702 38.638 -4.023 -1.194 1.00 1.00 N ATOM 265 CA GLY A 702 39.223 -2.734 -1.544 1.00 1.00 C ATOM 266 C GLY A 702 38.238 -1.895 -2.350 1.00 1.00 C ATOM 267 O GLY A 702 38.099 -0.691 -2.131 1.00 1.00 O ATOM 0 H GLY A 702 39.109 -4.832 -1.599 1.00 1.00 H new ATOM 0 HA2 GLY A 702 39.506 -2.200 -0.637 1.00 1.00 H new ATOM 0 HA3 GLY A 702 40.135 -2.888 -2.121 1.00 1.00 H new ATOM 271 N ALA A 703 37.557 -2.539 -3.288 1.00 1.00 N ATOM 272 CA ALA A 703 36.590 -1.843 -4.129 1.00 1.00 C ATOM 273 C ALA A 703 35.431 -1.282 -3.300 1.00 1.00 C ATOM 274 O ALA A 703 34.964 -0.173 -3.547 1.00 1.00 O ATOM 275 CB ALA A 703 36.046 -2.797 -5.191 1.00 1.00 C ATOM 0 H ALA A 703 37.654 -3.535 -3.486 1.00 1.00 H new ATOM 0 HA ALA A 703 37.101 -1.008 -4.609 1.00 1.00 H new ATOM 0 HB1 ALA A 703 35.324 -2.272 -5.816 1.00 1.00 H new ATOM 0 HB2 ALA A 703 36.867 -3.159 -5.810 1.00 1.00 H new ATOM 0 HB3 ALA A 703 35.558 -3.642 -4.705 1.00 1.00 H new ATOM 281 N ILE A 704 34.973 -2.050 -2.316 1.00 1.00 N ATOM 282 CA ILE A 704 33.873 -1.603 -1.473 1.00 1.00 C ATOM 283 C ILE A 704 34.293 -0.339 -0.714 1.00 1.00 C ATOM 284 O ILE A 704 33.505 0.601 -0.570 1.00 1.00 O ATOM 285 CB ILE A 704 33.483 -2.698 -0.484 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.889 -3.880 -1.258 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.431 -2.148 0.483 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.756 -5.099 -0.336 1.00 1.00 C ATOM 0 H ILE A 704 35.342 -2.973 -2.086 1.00 1.00 H new ATOM 0 HA ILE A 704 33.011 -1.380 -2.102 1.00 1.00 H new ATOM 0 HB ILE A 704 34.360 -3.025 0.074 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.912 -3.609 -1.659 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.525 -4.125 -2.108 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.148 -2.925 1.193 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.844 -1.296 1.023 1.00 1.00 H new ATOM 0 HG23 ILE A 704 31.552 -1.831 -0.078 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.333 -5.934 -0.895 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.739 -5.377 0.043 1.00 1.00 H new ATOM 0 HD13 ILE A 704 32.101 -4.853 0.500 1.00 1.00 H new ATOM 300 N LEU A 705 35.520 -0.319 -0.219 1.00 1.00 N ATOM 301 CA LEU A 705 35.986 0.848 0.539 1.00 1.00 C ATOM 302 C LEU A 705 35.974 2.099 -0.344 1.00 1.00 C ATOM 303 O LEU A 705 35.564 3.172 0.103 1.00 1.00 O ATOM 304 CB LEU A 705 37.415 0.627 1.069 1.00 1.00 C ATOM 305 CG LEU A 705 37.394 -0.401 2.209 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.826 -0.762 2.605 1.00 1.00 C ATOM 307 CD2 LEU A 705 36.660 0.173 3.430 1.00 1.00 C ATOM 0 H LEU A 705 36.201 -1.072 -0.320 1.00 1.00 H new ATOM 0 HA LEU A 705 35.308 0.985 1.382 1.00 1.00 H new ATOM 0 HB2 LEU A 705 38.061 0.278 0.264 1.00 1.00 H new ATOM 0 HB3 LEU A 705 37.831 1.570 1.425 1.00 1.00 H new ATOM 0 HG LEU A 705 36.872 -1.294 1.865 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.807 -1.492 3.414 1.00 1.00 H new ATOM 0 HD12 LEU A 705 39.345 -1.187 1.746 1.00 1.00 H new ATOM 0 HD13 LEU A 705 39.349 0.135 2.938 1.00 1.00 H new ATOM 0 HD21 LEU A 705 36.653 -0.566 4.231 1.00 1.00 H new ATOM 0 HD22 LEU A 705 37.171 1.073 3.772 1.00 1.00 H new ATOM 0 HD23 LEU A 705 35.635 0.420 3.155 1.00 1.00 H new ATOM 319 N LEU A 706 36.414 1.957 -1.587 1.00 1.00 N ATOM 320 CA LEU A 706 36.442 3.085 -2.514 1.00 1.00 C ATOM 321 C LEU A 706 35.033 3.613 -2.785 1.00 1.00 C ATOM 322 O LEU A 706 34.815 4.823 -2.845 1.00 1.00 O ATOM 323 CB LEU A 706 37.090 2.651 -3.833 1.00 1.00 C ATOM 324 CG LEU A 706 38.585 2.383 -3.611 1.00 1.00 C ATOM 325 CD1 LEU A 706 39.176 1.742 -4.868 1.00 1.00 C ATOM 326 CD2 LEU A 706 39.325 3.694 -3.310 1.00 1.00 C ATOM 0 H LEU A 706 36.755 1.078 -1.977 1.00 1.00 H new ATOM 0 HA LEU A 706 37.026 3.886 -2.060 1.00 1.00 H new ATOM 0 HB2 LEU A 706 36.602 1.753 -4.211 1.00 1.00 H new ATOM 0 HB3 LEU A 706 36.958 3.427 -4.587 1.00 1.00 H new ATOM 0 HG LEU A 706 38.702 1.710 -2.761 1.00 1.00 H new ATOM 0 HD11 LEU A 706 40.238 1.550 -4.714 1.00 1.00 H new ATOM 0 HD12 LEU A 706 38.663 0.802 -5.072 1.00 1.00 H new ATOM 0 HD13 LEU A 706 39.048 2.416 -5.715 1.00 1.00 H new ATOM 0 HD21 LEU A 706 40.384 3.487 -3.155 1.00 1.00 H new ATOM 0 HD22 LEU A 706 39.208 4.379 -4.150 1.00 1.00 H new ATOM 0 HD23 LEU A 706 38.909 4.149 -2.411 1.00 1.00 H new ATOM 338 N ILE A 707 34.082 2.702 -2.954 1.00 1.00 N ATOM 339 CA ILE A 707 32.700 3.092 -3.228 1.00 1.00 C ATOM 340 C ILE A 707 32.100 3.874 -2.060 1.00 1.00 C ATOM 341 O ILE A 707 31.415 4.865 -2.267 1.00 1.00 O ATOM 342 CB ILE A 707 31.843 1.850 -3.504 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.270 1.190 -4.832 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.361 2.236 -3.559 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.078 2.141 -6.025 1.00 1.00 C ATOM 0 H ILE A 707 34.238 1.695 -2.907 1.00 1.00 H new ATOM 0 HA ILE A 707 32.707 3.736 -4.108 1.00 1.00 H new ATOM 0 HB ILE A 707 31.992 1.135 -2.695 1.00 1.00 H new ATOM 0 HG12 ILE A 707 33.316 0.890 -4.770 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.687 0.283 -4.992 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.761 1.348 -3.755 1.00 1.00 H new ATOM 0 HG22 ILE A 707 30.063 2.672 -2.605 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.204 2.963 -4.355 1.00 1.00 H new ATOM 0 HD11 ILE A 707 32.389 1.641 -6.942 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.027 2.420 -6.102 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.681 3.037 -5.877 1.00 1.00 H new ATOM 357 N GLY A 708 32.347 3.414 -0.841 1.00 1.00 N ATOM 358 CA GLY A 708 31.815 4.084 0.349 1.00 1.00 C ATOM 359 C GLY A 708 32.477 5.441 0.552 1.00 1.00 C ATOM 360 O GLY A 708 31.822 6.428 0.886 1.00 1.00 O ATOM 0 H GLY A 708 32.908 2.585 -0.645 1.00 1.00 H new ATOM 0 HA2 GLY A 708 30.737 4.212 0.247 1.00 1.00 H new ATOM 0 HA3 GLY A 708 31.980 3.460 1.227 1.00 1.00 H new ATOM 364 N LEU A 709 33.786 5.470 0.353 1.00 1.00 N ATOM 365 CA LEU A 709 34.580 6.676 0.496 1.00 1.00 C ATOM 366 C LEU A 709 34.259 7.695 -0.590 1.00 1.00 C ATOM 367 O LEU A 709 34.315 8.900 -0.354 1.00 1.00 O ATOM 368 CB LEU A 709 36.072 6.328 0.450 1.00 1.00 C ATOM 369 CG LEU A 709 36.459 5.547 1.714 1.00 1.00 C ATOM 370 CD1 LEU A 709 37.881 5.002 1.560 1.00 1.00 C ATOM 371 CD2 LEU A 709 36.396 6.459 2.948 1.00 1.00 C ATOM 0 H LEU A 709 34.329 4.649 0.086 1.00 1.00 H new ATOM 0 HA LEU A 709 34.333 7.122 1.460 1.00 1.00 H new ATOM 0 HB2 LEU A 709 36.290 5.734 -0.437 1.00 1.00 H new ATOM 0 HB3 LEU A 709 36.666 7.239 0.377 1.00 1.00 H new ATOM 0 HG LEU A 709 35.757 4.723 1.847 1.00 1.00 H new ATOM 0 HD11 LEU A 709 38.157 4.447 2.457 1.00 1.00 H new ATOM 0 HD12 LEU A 709 37.925 4.340 0.696 1.00 1.00 H new ATOM 0 HD13 LEU A 709 38.575 5.831 1.418 1.00 1.00 H new ATOM 0 HD21 LEU A 709 36.673 5.890 3.835 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.087 7.292 2.820 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.383 6.843 3.065 1.00 1.00 H new ATOM 383 N ALA A 710 33.978 7.212 -1.799 1.00 1.00 N ATOM 384 CA ALA A 710 33.722 8.126 -2.913 1.00 1.00 C ATOM 385 C ALA A 710 32.696 9.208 -2.543 1.00 1.00 C ATOM 386 O ALA A 710 33.027 10.393 -2.578 1.00 1.00 O ATOM 387 CB ALA A 710 33.303 7.362 -4.175 1.00 1.00 C ATOM 0 H ALA A 710 33.922 6.220 -2.030 1.00 1.00 H new ATOM 0 HA ALA A 710 34.659 8.638 -3.132 1.00 1.00 H new ATOM 0 HB1 ALA A 710 33.120 8.069 -4.984 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.098 6.676 -4.466 1.00 1.00 H new ATOM 0 HB3 ALA A 710 32.392 6.798 -3.973 1.00 1.00 H new ATOM 393 N PRO A 711 31.477 8.865 -2.181 1.00 1.00 N ATOM 394 CA PRO A 711 30.463 9.888 -1.797 1.00 1.00 C ATOM 395 C PRO A 711 30.967 10.824 -0.700 1.00 1.00 C ATOM 396 O PRO A 711 30.748 12.033 -0.760 1.00 1.00 O ATOM 397 CB PRO A 711 29.287 9.071 -1.258 1.00 1.00 C ATOM 398 CG PRO A 711 29.435 7.711 -1.840 1.00 1.00 C ATOM 399 CD PRO A 711 30.924 7.503 -2.108 1.00 1.00 C ATOM 0 HA PRO A 711 30.211 10.523 -2.646 1.00 1.00 H new ATOM 0 HB2 PRO A 711 29.304 9.034 -0.169 1.00 1.00 H new ATOM 0 HB3 PRO A 711 28.336 9.518 -1.547 1.00 1.00 H new ATOM 0 HG2 PRO A 711 29.057 6.954 -1.153 1.00 1.00 H new ATOM 0 HG3 PRO A 711 28.860 7.621 -2.762 1.00 1.00 H new ATOM 0 HD2 PRO A 711 31.394 6.926 -1.312 1.00 1.00 H new ATOM 0 HD3 PRO A 711 31.088 6.957 -3.037 1.00 1.00 H new ATOM 407 N LEU A 712 31.665 10.265 0.286 1.00 1.00 N ATOM 408 CA LEU A 712 32.209 11.078 1.360 1.00 1.00 C ATOM 409 C LEU A 712 33.260 12.020 0.802 1.00 1.00 C ATOM 410 O LEU A 712 33.276 13.206 1.124 1.00 1.00 O ATOM 411 CB LEU A 712 32.833 10.183 2.434 1.00 1.00 C ATOM 412 CG LEU A 712 31.731 9.410 3.167 1.00 1.00 C ATOM 413 CD1 LEU A 712 32.365 8.361 4.081 1.00 1.00 C ATOM 414 CD2 LEU A 712 30.877 10.369 4.009 1.00 1.00 C ATOM 0 H LEU A 712 31.863 9.267 0.360 1.00 1.00 H new ATOM 0 HA LEU A 712 31.404 11.659 1.810 1.00 1.00 H new ATOM 0 HB2 LEU A 712 33.536 9.487 1.977 1.00 1.00 H new ATOM 0 HB3 LEU A 712 33.398 10.789 3.142 1.00 1.00 H new ATOM 0 HG LEU A 712 31.094 8.921 2.430 1.00 1.00 H new ATOM 0 HD11 LEU A 712 31.581 7.811 4.602 1.00 1.00 H new ATOM 0 HD12 LEU A 712 32.958 7.669 3.484 1.00 1.00 H new ATOM 0 HD13 LEU A 712 33.008 8.854 4.810 1.00 1.00 H new ATOM 0 HD21 LEU A 712 30.098 9.806 4.524 1.00 1.00 H new ATOM 0 HD22 LEU A 712 31.509 10.870 4.743 1.00 1.00 H new ATOM 0 HD23 LEU A 712 30.417 11.113 3.359 1.00 1.00 H new ATOM 426 N LEU A 713 34.124 11.492 -0.061 1.00 1.00 N ATOM 427 CA LEU A 713 35.152 12.315 -0.674 1.00 1.00 C ATOM 428 C LEU A 713 34.511 13.367 -1.564 1.00 1.00 C ATOM 429 O LEU A 713 34.894 14.534 -1.538 1.00 1.00 O ATOM 430 CB LEU A 713 36.104 11.447 -1.500 1.00 1.00 C ATOM 431 CG LEU A 713 36.949 10.573 -0.565 1.00 1.00 C ATOM 432 CD1 LEU A 713 37.727 9.547 -1.392 1.00 1.00 C ATOM 433 CD2 LEU A 713 37.937 11.440 0.229 1.00 1.00 C ATOM 0 H LEU A 713 34.131 10.513 -0.346 1.00 1.00 H new ATOM 0 HA LEU A 713 35.720 12.810 0.114 1.00 1.00 H new ATOM 0 HB2 LEU A 713 35.536 10.819 -2.186 1.00 1.00 H new ATOM 0 HB3 LEU A 713 36.752 12.078 -2.108 1.00 1.00 H new ATOM 0 HG LEU A 713 36.286 10.061 0.133 1.00 1.00 H new ATOM 0 HD11 LEU A 713 38.328 8.925 -0.728 1.00 1.00 H new ATOM 0 HD12 LEU A 713 37.028 8.919 -1.944 1.00 1.00 H new ATOM 0 HD13 LEU A 713 38.380 10.065 -2.094 1.00 1.00 H new ATOM 0 HD21 LEU A 713 38.530 10.806 0.888 1.00 1.00 H new ATOM 0 HD22 LEU A 713 38.598 11.963 -0.462 1.00 1.00 H new ATOM 0 HD23 LEU A 713 37.385 12.167 0.825 1.00 1.00 H new ATOM 445 N ILE A 714 33.515 12.944 -2.340 1.00 1.00 N ATOM 446 CA ILE A 714 32.817 13.866 -3.222 1.00 1.00 C ATOM 447 C ILE A 714 32.082 14.910 -2.399 1.00 1.00 C ATOM 448 O ILE A 714 32.148 16.102 -2.691 1.00 1.00 O ATOM 449 CB ILE A 714 31.821 13.104 -4.098 1.00 1.00 C ATOM 450 CG1 ILE A 714 32.586 12.215 -5.082 1.00 1.00 C ATOM 451 CG2 ILE A 714 30.960 14.102 -4.877 1.00 1.00 C ATOM 452 CD1 ILE A 714 31.613 11.251 -5.763 1.00 1.00 C ATOM 0 H ILE A 714 33.179 11.981 -2.374 1.00 1.00 H new ATOM 0 HA ILE A 714 33.546 14.361 -3.863 1.00 1.00 H new ATOM 0 HB ILE A 714 31.181 12.485 -3.469 1.00 1.00 H new ATOM 0 HG12 ILE A 714 33.088 12.830 -5.829 1.00 1.00 H new ATOM 0 HG13 ILE A 714 33.360 11.656 -4.557 1.00 1.00 H new ATOM 0 HG21 ILE A 714 30.250 13.560 -5.502 1.00 1.00 H new ATOM 0 HG22 ILE A 714 30.417 14.737 -4.178 1.00 1.00 H new ATOM 0 HG23 ILE A 714 31.600 14.720 -5.507 1.00 1.00 H new ATOM 0 HD11 ILE A 714 32.158 10.618 -6.463 1.00 1.00 H new ATOM 0 HD12 ILE A 714 31.132 10.627 -5.010 1.00 1.00 H new ATOM 0 HD13 ILE A 714 30.855 11.819 -6.302 1.00 1.00 H new ATOM 464 N TRP A 715 31.402 14.459 -1.347 1.00 1.00 N ATOM 465 CA TRP A 715 30.686 15.378 -0.480 1.00 1.00 C ATOM 466 C TRP A 715 31.682 16.264 0.246 1.00 1.00 C ATOM 467 O TRP A 715 31.524 17.479 0.305 1.00 1.00 O ATOM 468 CB TRP A 715 29.848 14.600 0.537 1.00 1.00 C ATOM 469 CG TRP A 715 29.108 15.561 1.411 1.00 1.00 C ATOM 470 CD1 TRP A 715 29.401 15.816 2.708 1.00 1.00 C ATOM 471 CD2 TRP A 715 27.961 16.395 1.080 1.00 1.00 C ATOM 472 NE1 TRP A 715 28.508 16.754 3.192 1.00 1.00 N ATOM 473 CE2 TRP A 715 27.600 17.141 2.226 1.00 1.00 C ATOM 474 CE3 TRP A 715 27.206 16.576 -0.093 1.00 1.00 C ATOM 475 CZ2 TRP A 715 26.528 18.035 2.210 1.00 1.00 C ATOM 476 CZ3 TRP A 715 26.126 17.473 -0.113 1.00 1.00 C ATOM 477 CH2 TRP A 715 25.788 18.202 1.036 1.00 1.00 C ATOM 0 H TRP A 715 31.335 13.477 -1.081 1.00 1.00 H new ATOM 0 HA TRP A 715 30.020 15.995 -1.084 1.00 1.00 H new ATOM 0 HB2 TRP A 715 29.145 13.946 0.021 1.00 1.00 H new ATOM 0 HB3 TRP A 715 30.492 13.962 1.143 1.00 1.00 H new ATOM 0 HD1 TRP A 715 30.202 15.361 3.272 1.00 1.00 H new ATOM 0 HE1 TRP A 715 28.519 17.116 4.146 1.00 1.00 H new ATOM 0 HE3 TRP A 715 27.459 16.021 -0.984 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 26.272 18.594 3.098 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 25.552 17.602 -1.019 1.00 1.00 H new ATOM 0 HH2 TRP A 715 24.957 18.892 1.014 1.00 1.00 H new ATOM 488 N ALA A 716 32.720 15.641 0.793 1.00 1.00 N ATOM 489 CA ALA A 716 33.736 16.387 1.514 1.00 1.00 C ATOM 490 C ALA A 716 34.388 17.394 0.584 1.00 1.00 C ATOM 491 O ALA A 716 34.666 18.525 0.975 1.00 1.00 O ATOM 492 CB ALA A 716 34.795 15.432 2.066 1.00 1.00 C ATOM 0 H ALA A 716 32.876 14.634 0.750 1.00 1.00 H new ATOM 0 HA ALA A 716 33.267 16.914 2.345 1.00 1.00 H new ATOM 0 HB1 ALA A 716 35.553 16.001 2.605 1.00 1.00 H new ATOM 0 HB2 ALA A 716 34.325 14.720 2.744 1.00 1.00 H new ATOM 0 HB3 ALA A 716 35.264 14.893 1.243 1.00 1.00 H new ATOM 498 N LEU A 717 34.626 16.976 -0.654 1.00 1.00 N ATOM 499 CA LEU A 717 35.233 17.843 -1.634 1.00 1.00 C ATOM 500 C LEU A 717 34.313 19.026 -1.912 1.00 1.00 C ATOM 501 O LEU A 717 34.750 20.170 -1.915 1.00 1.00 O ATOM 502 CB LEU A 717 35.480 17.049 -2.923 1.00 1.00 C ATOM 503 CG LEU A 717 36.178 17.924 -3.968 1.00 1.00 C ATOM 504 CD1 LEU A 717 37.548 18.368 -3.449 1.00 1.00 C ATOM 505 CD2 LEU A 717 36.363 17.121 -5.258 1.00 1.00 C ATOM 0 H LEU A 717 34.405 16.040 -0.995 1.00 1.00 H new ATOM 0 HA LEU A 717 36.183 18.220 -1.256 1.00 1.00 H new ATOM 0 HB2 LEU A 717 36.092 16.174 -2.706 1.00 1.00 H new ATOM 0 HB3 LEU A 717 34.532 16.685 -3.320 1.00 1.00 H new ATOM 0 HG LEU A 717 35.566 18.805 -4.163 1.00 1.00 H new ATOM 0 HD11 LEU A 717 38.037 18.990 -4.199 1.00 1.00 H new ATOM 0 HD12 LEU A 717 37.421 18.940 -2.530 1.00 1.00 H new ATOM 0 HD13 LEU A 717 38.163 17.491 -3.248 1.00 1.00 H new ATOM 0 HD21 LEU A 717 36.860 17.741 -6.004 1.00 1.00 H new ATOM 0 HD22 LEU A 717 36.972 16.240 -5.054 1.00 1.00 H new ATOM 0 HD23 LEU A 717 35.389 16.809 -5.635 1.00 1.00 H new ATOM 517 N LEU A 718 33.024 18.752 -2.110 1.00 1.00 N ATOM 518 CA LEU A 718 32.074 19.829 -2.355 1.00 1.00 C ATOM 519 C LEU A 718 31.981 20.726 -1.132 1.00 1.00 C ATOM 520 O LEU A 718 32.014 21.951 -1.241 1.00 1.00 O ATOM 521 CB LEU A 718 30.693 19.254 -2.682 1.00 1.00 C ATOM 522 CG LEU A 718 30.728 18.579 -4.058 1.00 1.00 C ATOM 523 CD1 LEU A 718 29.426 17.807 -4.278 1.00 1.00 C ATOM 524 CD2 LEU A 718 30.890 19.630 -5.165 1.00 1.00 C ATOM 0 H LEU A 718 32.623 17.814 -2.106 1.00 1.00 H new ATOM 0 HA LEU A 718 32.422 20.416 -3.205 1.00 1.00 H new ATOM 0 HB2 LEU A 718 30.399 18.533 -1.920 1.00 1.00 H new ATOM 0 HB3 LEU A 718 29.946 20.048 -2.675 1.00 1.00 H new ATOM 0 HG LEU A 718 31.576 17.895 -4.094 1.00 1.00 H new ATOM 0 HD11 LEU A 718 29.449 17.326 -5.256 1.00 1.00 H new ATOM 0 HD12 LEU A 718 29.318 17.048 -3.503 1.00 1.00 H new ATOM 0 HD13 LEU A 718 28.582 18.496 -4.232 1.00 1.00 H new ATOM 0 HD21 LEU A 718 30.913 19.135 -6.136 1.00 1.00 H new ATOM 0 HD22 LEU A 718 30.051 20.325 -5.132 1.00 1.00 H new ATOM 0 HD23 LEU A 718 31.821 20.177 -5.014 1.00 1.00 H new ATOM 536 N ILE A 719 31.902 20.105 0.042 1.00 1.00 N ATOM 537 CA ILE A 719 31.845 20.850 1.287 1.00 1.00 C ATOM 538 C ILE A 719 33.153 21.579 1.483 1.00 1.00 C ATOM 539 O ILE A 719 33.176 22.758 1.834 1.00 1.00 O ATOM 540 CB ILE A 719 31.578 19.916 2.475 1.00 1.00 C ATOM 541 CG1 ILE A 719 30.148 19.341 2.389 1.00 1.00 C ATOM 542 CG2 ILE A 719 31.770 20.673 3.792 1.00 1.00 C ATOM 543 CD1 ILE A 719 29.087 20.453 2.454 1.00 1.00 C ATOM 0 H ILE A 719 31.876 19.091 0.153 1.00 1.00 H new ATOM 0 HA ILE A 719 31.025 21.566 1.235 1.00 1.00 H new ATOM 0 HB ILE A 719 32.288 19.089 2.441 1.00 1.00 H new ATOM 0 HG12 ILE A 719 30.035 18.783 1.460 1.00 1.00 H new ATOM 0 HG13 ILE A 719 29.988 18.637 3.205 1.00 1.00 H new ATOM 0 HG21 ILE A 719 31.578 20.002 4.629 1.00 1.00 H new ATOM 0 HG22 ILE A 719 32.793 21.045 3.852 1.00 1.00 H new ATOM 0 HG23 ILE A 719 31.076 21.512 3.834 1.00 1.00 H new ATOM 0 HD11 ILE A 719 28.093 20.011 2.391 1.00 1.00 H new ATOM 0 HD12 ILE A 719 29.184 20.994 3.395 1.00 1.00 H new ATOM 0 HD13 ILE A 719 29.231 21.143 1.622 1.00 1.00 H new ATOM 555 N THR A 720 34.248 20.873 1.221 1.00 1.00 N ATOM 556 CA THR A 720 35.558 21.485 1.343 1.00 1.00 C ATOM 557 C THR A 720 35.661 22.627 0.346 1.00 1.00 C ATOM 558 O THR A 720 36.106 23.722 0.689 1.00 1.00 O ATOM 559 CB THR A 720 36.660 20.459 1.073 1.00 1.00 C ATOM 560 OG1 THR A 720 36.585 19.419 2.038 1.00 1.00 O ATOM 561 CG2 THR A 720 38.026 21.142 1.163 1.00 1.00 C ATOM 0 H THR A 720 34.253 19.896 0.929 1.00 1.00 H new ATOM 0 HA THR A 720 35.685 21.862 2.358 1.00 1.00 H new ATOM 0 HB THR A 720 36.529 20.039 0.076 1.00 1.00 H new ATOM 0 HG1 THR A 720 35.972 18.723 1.722 1.00 1.00 H new ATOM 0 HG21 THR A 720 38.812 20.411 0.971 1.00 1.00 H new ATOM 0 HG22 THR A 720 38.083 21.940 0.423 1.00 1.00 H new ATOM 0 HG23 THR A 720 38.158 21.562 2.160 1.00 1.00 H new ATOM 569 N ILE A 721 35.223 22.379 -0.890 1.00 1.00 N ATOM 570 CA ILE A 721 35.263 23.443 -1.906 1.00 1.00 C ATOM 571 C ILE A 721 34.345 24.608 -1.542 1.00 1.00 C ATOM 572 O ILE A 721 34.714 25.774 -1.684 1.00 1.00 O ATOM 573 CB ILE A 721 34.912 22.931 -3.305 1.00 1.00 C ATOM 574 CG1 ILE A 721 36.038 22.034 -3.832 1.00 1.00 C ATOM 575 CG2 ILE A 721 34.728 24.124 -4.248 1.00 1.00 C ATOM 576 CD1 ILE A 721 35.565 21.313 -5.097 1.00 1.00 C ATOM 0 H ILE A 721 34.848 21.485 -1.209 1.00 1.00 H new ATOM 0 HA ILE A 721 36.294 23.797 -1.924 1.00 1.00 H new ATOM 0 HB ILE A 721 33.989 22.353 -3.255 1.00 1.00 H new ATOM 0 HG12 ILE A 721 36.922 22.633 -4.051 1.00 1.00 H new ATOM 0 HG13 ILE A 721 36.325 21.307 -3.072 1.00 1.00 H new ATOM 0 HG21 ILE A 721 34.478 23.764 -5.246 1.00 1.00 H new ATOM 0 HG22 ILE A 721 33.922 24.759 -3.879 1.00 1.00 H new ATOM 0 HG23 ILE A 721 35.653 24.700 -4.291 1.00 1.00 H new ATOM 0 HD11 ILE A 721 36.365 20.675 -5.473 1.00 1.00 H new ATOM 0 HD12 ILE A 721 34.693 20.702 -4.863 1.00 1.00 H new ATOM 0 HD13 ILE A 721 35.300 22.048 -5.857 1.00 1.00 H new ATOM 588 N HIS A 722 33.146 24.278 -1.077 1.00 1.00 N ATOM 589 CA HIS A 722 32.172 25.298 -0.701 1.00 1.00 C ATOM 590 C HIS A 722 32.726 26.183 0.413 1.00 1.00 C ATOM 591 O HIS A 722 32.495 27.389 0.405 1.00 1.00 O ATOM 592 CB HIS A 722 30.877 24.637 -0.232 1.00 1.00 C ATOM 593 CG HIS A 722 29.930 24.508 -1.393 1.00 1.00 C ATOM 594 ND1 HIS A 722 29.988 23.441 -2.278 1.00 1.00 N ATOM 595 CD2 HIS A 722 28.898 25.301 -1.830 1.00 1.00 C ATOM 596 CE1 HIS A 722 29.018 23.621 -3.193 1.00 1.00 C ATOM 597 NE2 HIS A 722 28.324 24.739 -2.967 1.00 1.00 N ATOM 0 H HIS A 722 32.825 23.318 -0.951 1.00 1.00 H new ATOM 0 HA HIS A 722 31.967 25.917 -1.575 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.090 23.654 0.188 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.420 25.230 0.560 1.00 1.00 H new ATOM 0 HD1 HIS A 722 30.646 22.662 -2.242 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.580 26.221 -1.363 1.00 1.00 H new ATOM 0 HE1 HIS A 722 28.824 22.943 -4.011 1.00 1.00 H new ATOM 605 N ASP A 723 33.445 25.547 1.355 1.00 1.00 N ATOM 606 CA ASP A 723 34.066 26.213 2.516 1.00 1.00 C ATOM 607 C ASP A 723 33.466 25.672 3.810 1.00 1.00 C ATOM 608 O ASP A 723 32.267 25.811 4.053 1.00 1.00 O ATOM 609 CB ASP A 723 33.912 27.740 2.492 1.00 1.00 C ATOM 610 CG ASP A 723 34.688 28.350 3.653 1.00 1.00 C ATOM 611 OD1 ASP A 723 35.174 27.594 4.477 1.00 1.00 O ATOM 612 OD2 ASP A 723 34.783 29.566 3.702 1.00 1.00 O ATOM 0 H ASP A 723 33.614 24.541 1.332 1.00 1.00 H new ATOM 0 HA ASP A 723 35.132 25.993 2.463 1.00 1.00 H new ATOM 0 HB2 ASP A 723 34.280 28.138 1.546 1.00 1.00 H new ATOM 0 HB3 ASP A 723 32.859 28.011 2.563 1.00 1.00 H new ATOM 617 N ARG A 724 34.305 25.056 4.635 1.00 1.00 N ATOM 618 CA ARG A 724 33.842 24.498 5.901 1.00 1.00 C ATOM 619 C ARG A 724 33.436 25.617 6.856 1.00 1.00 C ATOM 620 O ARG A 724 34.154 26.606 7.007 1.00 1.00 O ATOM 621 CB ARG A 724 34.952 23.650 6.532 1.00 1.00 C ATOM 622 CG ARG A 724 34.440 22.994 7.820 1.00 1.00 C ATOM 623 CD ARG A 724 35.560 22.164 8.448 1.00 1.00 C ATOM 624 NE ARG A 724 35.047 21.403 9.581 1.00 1.00 N ATOM 625 CZ ARG A 724 35.870 20.858 10.470 1.00 1.00 C ATOM 626 NH1 ARG A 724 37.160 21.002 10.337 1.00 1.00 N ATOM 627 NH2 ARG A 724 35.388 20.182 11.476 1.00 1.00 N ATOM 0 H ARG A 724 35.301 24.931 4.453 1.00 1.00 H new ATOM 0 HA ARG A 724 32.973 23.868 5.711 1.00 1.00 H new ATOM 0 HB2 ARG A 724 35.280 22.884 5.829 1.00 1.00 H new ATOM 0 HB3 ARG A 724 35.818 24.274 6.751 1.00 1.00 H new ATOM 0 HG2 ARG A 724 34.102 23.758 8.520 1.00 1.00 H new ATOM 0 HG3 ARG A 724 33.581 22.359 7.601 1.00 1.00 H new ATOM 0 HD2 ARG A 724 35.980 21.486 7.705 1.00 1.00 H new ATOM 0 HD3 ARG A 724 36.368 22.818 8.776 1.00 1.00 H new ATOM 0 HE ARG A 724 34.040 21.287 9.693 1.00 1.00 H new ATOM 0 HH11 ARG A 724 37.536 21.533 9.551 1.00 1.00 H new ATOM 0 HH12 ARG A 724 37.793 20.584 11.019 1.00 1.00 H new ATOM 0 HH21 ARG A 724 34.379 20.072 11.580 1.00 1.00 H new ATOM 0 HH22 ARG A 724 36.020 19.763 12.159 1.00 1.00 H new ATOM 641 N LYS A 725 32.281 25.454 7.495 1.00 1.00 N ATOM 642 CA LYS A 725 31.787 26.457 8.434 1.00 1.00 C ATOM 643 C LYS A 725 31.898 25.931 9.862 1.00 1.00 C ATOM 644 O LYS A 725 31.737 24.737 10.110 1.00 1.00 O ATOM 645 CB LYS A 725 30.316 26.781 8.132 1.00 1.00 C ATOM 646 CG LYS A 725 30.127 27.293 6.689 1.00 1.00 C ATOM 647 CD LYS A 725 30.806 28.655 6.476 1.00 1.00 C ATOM 648 CE LYS A 725 30.549 29.120 5.041 1.00 1.00 C ATOM 649 NZ LYS A 725 31.181 30.453 4.829 1.00 1.00 N ATOM 0 H LYS A 725 31.673 24.643 7.381 1.00 1.00 H new ATOM 0 HA LYS A 725 32.388 27.360 8.328 1.00 1.00 H new ATOM 0 HB2 LYS A 725 29.709 25.889 8.284 1.00 1.00 H new ATOM 0 HB3 LYS A 725 29.958 27.533 8.835 1.00 1.00 H new ATOM 0 HG2 LYS A 725 30.540 26.567 5.988 1.00 1.00 H new ATOM 0 HG3 LYS A 725 29.063 27.379 6.470 1.00 1.00 H new ATOM 0 HD2 LYS A 725 30.415 29.386 7.184 1.00 1.00 H new ATOM 0 HD3 LYS A 725 31.877 28.575 6.660 1.00 1.00 H new ATOM 0 HE2 LYS A 725 30.956 28.396 4.335 1.00 1.00 H new ATOM 0 HE3 LYS A 725 29.477 29.180 4.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 31.006 30.769 3.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 30.773 31.140 5.494 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 32.206 30.381 4.991 1.00 1.00 H new ATOM 663 N GLU A 726 32.177 26.834 10.797 1.00 1.00 N ATOM 664 CA GLU A 726 32.306 26.452 12.198 1.00 1.00 C ATOM 665 C GLU A 726 30.971 25.951 12.741 1.00 1.00 C ATOM 666 O GLU A 726 29.920 26.527 12.458 1.00 1.00 O ATOM 667 CB GLU A 726 32.780 27.652 13.027 1.00 1.00 C ATOM 668 CG GLU A 726 34.201 28.048 12.610 1.00 1.00 C ATOM 669 CD GLU A 726 35.183 26.930 12.948 1.00 1.00 C ATOM 670 OE1 GLU A 726 34.855 26.112 13.792 1.00 1.00 O ATOM 671 OE2 GLU A 726 36.248 26.904 12.352 1.00 1.00 O ATOM 0 H GLU A 726 32.317 27.827 10.612 1.00 1.00 H new ATOM 0 HA GLU A 726 33.040 25.649 12.270 1.00 1.00 H new ATOM 0 HB2 GLU A 726 32.102 28.494 12.884 1.00 1.00 H new ATOM 0 HB3 GLU A 726 32.760 27.403 14.088 1.00 1.00 H new ATOM 0 HG2 GLU A 726 34.229 28.255 11.540 1.00 1.00 H new ATOM 0 HG3 GLU A 726 34.495 28.966 13.120 1.00 1.00 H new ATOM 678 N PHE A 727 31.020 24.876 13.522 1.00 1.00 N ATOM 679 CA PHE A 727 29.808 24.307 14.097 1.00 1.00 C ATOM 680 C PHE A 727 29.281 25.199 15.218 1.00 1.00 C ATOM 681 O PHE A 727 30.000 26.098 15.620 1.00 1.00 O ATOM 682 CB PHE A 727 30.095 22.909 14.648 1.00 1.00 C ATOM 683 CG PHE A 727 31.107 23.006 15.766 1.00 1.00 C ATOM 684 CD1 PHE A 727 30.674 23.185 17.086 1.00 1.00 C ATOM 685 CD2 PHE A 727 32.474 22.918 15.484 1.00 1.00 C ATOM 686 CE1 PHE A 727 31.610 23.273 18.123 1.00 1.00 C ATOM 687 CE2 PHE A 727 33.411 23.006 16.521 1.00 1.00 C ATOM 688 CZ PHE A 727 32.978 23.184 17.841 1.00 1.00 C ATOM 689 OXT PHE A 727 28.166 24.968 15.657 1.00 1.00 O ATOM 0 H PHE A 727 31.879 24.385 13.769 1.00 1.00 H new ATOM 0 HA PHE A 727 29.053 24.239 13.313 1.00 1.00 H new ATOM 0 HB2 PHE A 727 29.174 22.455 15.015 1.00 1.00 H new ATOM 0 HB3 PHE A 727 30.474 22.265 13.855 1.00 1.00 H new ATOM 0 HD1 PHE A 727 29.618 23.255 17.304 1.00 1.00 H new ATOM 0 HD2 PHE A 727 32.807 22.782 14.466 1.00 1.00 H new ATOM 0 HE1 PHE A 727 31.276 23.410 19.141 1.00 1.00 H new ATOM 0 HE2 PHE A 727 34.467 22.937 16.303 1.00 1.00 H new ATOM 0 HZ PHE A 727 33.700 23.253 18.641 1.00 1.00 H new TER 699 PHE A 727