USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 766 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 Set 1.1: A 732 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 816 GLN : amide:sc= -0.0322 K(o=1.2,f=-9.7!) USER MOD Set 2.1: A 754 THR OG1 : rot 77:sc= 0.151 USER MOD Set 2.2: A 797 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 739 SER OG : rot -56:sc= 1.03 USER MOD Set 3.2: A 782 THR OG1 : rot 111:sc= 2.57 USER MOD Set 4.1: A 748 GLN : amide:sc= 0 X(o=-0.44,f=-0.68) USER MOD Set 4.2: A 776 ASN : amide:sc= -0.445! X(o=-0.44!,f=-0.28) USER MOD Set 5.1: A 722 SER OG : rot 140:sc= 0.847 USER MOD Set 5.2: A 724 SER OG : rot -67:sc= 1.17 USER MOD Set 5.3: A 810 GLN : amide:sc= 0.075 K(o=2.1,f=1.5) USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ 154:sc= 1.28 (180deg=1.19) USER MOD Single : A 728 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.56) USER MOD Single : A 729 HIS : no HE2:sc= 0.356 K(o=0.36,f=-1.4) USER MOD Single : A 734 CYS SG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 740 SER OG : rot 180:sc= -0.103 USER MOD Single : A 746 LYS NZ :NH3+ -161:sc= -0.0482 (180deg=-0.319) USER MOD Single : A 752 THR OG1 : rot -170:sc= 0 USER MOD Single : A 755 TYR OH : rot -81:sc= 0.321 USER MOD Single : A 760 THR OG1 : rot 4:sc= 0.664 USER MOD Single : A 766 LYS NZ :NH3+ 156:sc= 1.32 (180deg=1.15) USER MOD Single : A 767 THR OG1 : rot -3:sc= 1.26 USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 778 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ 162:sc= -0.0382 (180deg=-0.285) USER MOD Single : A 786 THR OG1 : rot 180:sc= 0.00429 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 799 LYS NZ :NH3+ 149:sc= -1.2 (180deg=-2.38!) USER MOD Single : A 801 SER OG : rot 180:sc= 0 USER MOD Single : A 802 THR OG1 : rot -87:sc= 1.16 USER MOD Single : A 804 CYS SG : rot 180:sc= 0 USER MOD Single : A 809 SER OG : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0321) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -17.108 2.089 -5.708 1.00 0.00 N ATOM 42 CA LYS A 720 -15.831 1.526 -6.088 1.00 0.00 C ATOM 43 C LYS A 720 -14.796 1.777 -5.001 1.00 0.00 C ATOM 44 O LYS A 720 -14.319 2.901 -4.834 1.00 0.00 O ATOM 45 CB LYS A 720 -15.343 2.097 -7.411 1.00 0.00 C ATOM 46 CG LYS A 720 -16.197 1.708 -8.608 1.00 0.00 C ATOM 47 CD LYS A 720 -15.630 2.269 -9.904 1.00 0.00 C ATOM 48 CE LYS A 720 -14.193 1.818 -10.131 1.00 0.00 C ATOM 49 NZ LYS A 720 -13.626 2.359 -11.393 1.00 0.00 N ATOM 0 HA LYS A 720 -15.967 0.452 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -15.314 3.184 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.320 1.762 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -16.257 0.622 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -17.213 2.075 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -16.249 1.947 -10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.670 3.358 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -13.577 2.139 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -14.156 0.729 -10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -12.647 2.026 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -14.197 2.032 -12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -13.636 3.398 -11.361 1.00 0.00 H new ATOM 63 N PRO A 721 -14.458 0.738 -4.228 1.00 0.00 N ATOM 64 CA PRO A 721 -13.453 0.825 -3.188 1.00 0.00 C ATOM 65 C PRO A 721 -12.065 0.522 -3.730 1.00 0.00 C ATOM 66 O PRO A 721 -11.913 -0.318 -4.619 1.00 0.00 O ATOM 67 CB PRO A 721 -13.905 -0.239 -2.194 1.00 0.00 C ATOM 68 CG PRO A 721 -14.660 -1.258 -3.000 1.00 0.00 C ATOM 69 CD PRO A 721 -15.013 -0.621 -4.325 1.00 0.00 C ATOM 0 HA PRO A 721 -13.373 1.820 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.051 -0.693 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.538 0.194 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.054 -2.151 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.561 -1.572 -2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.578 -1.171 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.091 -0.601 -4.483 1.00 0.00 H new ATOM 77 N SER A 722 -11.057 1.197 -3.198 1.00 0.00 N ATOM 78 CA SER A 722 -9.709 1.055 -3.718 1.00 0.00 C ATOM 79 C SER A 722 -8.724 1.854 -2.874 1.00 0.00 C ATOM 80 O SER A 722 -8.945 2.071 -1.687 1.00 0.00 O ATOM 81 CB SER A 722 -9.679 1.520 -5.179 1.00 0.00 C ATOM 82 OG SER A 722 -8.466 1.157 -5.820 1.00 0.00 O ATOM 0 H SER A 722 -11.147 1.843 -2.413 1.00 0.00 H new ATOM 0 HA SER A 722 -9.412 0.007 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.520 1.083 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.802 2.602 -5.219 1.00 0.00 H new ATOM 0 HG SER A 722 -8.655 0.860 -6.735 1.00 0.00 H new ATOM 88 N ALA A 723 -7.630 2.272 -3.487 1.00 0.00 N ATOM 89 CA ALA A 723 -6.623 3.058 -2.806 1.00 0.00 C ATOM 90 C ALA A 723 -5.937 3.991 -3.792 1.00 0.00 C ATOM 91 O ALA A 723 -5.726 3.628 -4.945 1.00 0.00 O ATOM 92 CB ALA A 723 -5.609 2.142 -2.146 1.00 0.00 C ATOM 0 H ALA A 723 -7.418 2.076 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.101 3.660 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -4.855 2.741 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.114 1.502 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.129 1.524 -2.905 1.00 0.00 H new ATOM 98 N SER A 724 -5.604 5.192 -3.350 1.00 0.00 N ATOM 99 CA SER A 724 -4.920 6.145 -4.203 1.00 0.00 C ATOM 100 C SER A 724 -3.728 6.718 -3.459 1.00 0.00 C ATOM 101 O SER A 724 -3.879 7.619 -2.632 1.00 0.00 O ATOM 102 CB SER A 724 -5.876 7.270 -4.605 1.00 0.00 C ATOM 103 OG SER A 724 -7.113 6.753 -5.070 1.00 0.00 O ATOM 0 H SER A 724 -5.796 5.529 -2.407 1.00 0.00 H new ATOM 0 HA SER A 724 -4.576 5.640 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.051 7.924 -3.751 1.00 0.00 H new ATOM 0 HB3 SER A 724 -5.418 7.879 -5.384 1.00 0.00 H new ATOM 0 HG SER A 724 -6.971 6.273 -5.912 1.00 0.00 H new ATOM 109 N LEU A 725 -2.544 6.184 -3.726 1.00 0.00 N ATOM 110 CA LEU A 725 -1.368 6.593 -3.005 1.00 0.00 C ATOM 111 C LEU A 725 -1.033 8.052 -3.265 1.00 0.00 C ATOM 112 O LEU A 725 -1.199 8.567 -4.372 1.00 0.00 O ATOM 113 CB LEU A 725 -0.194 5.713 -3.375 1.00 0.00 C ATOM 114 CG LEU A 725 -0.491 4.212 -3.438 1.00 0.00 C ATOM 115 CD1 LEU A 725 0.795 3.459 -3.600 1.00 0.00 C ATOM 116 CD2 LEU A 725 -1.199 3.736 -2.187 1.00 0.00 C ATOM 0 H LEU A 725 -2.383 5.470 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.576 6.483 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.185 6.032 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.604 5.878 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 725 -1.146 4.029 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.587 2.390 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.287 3.772 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.447 3.666 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.395 2.667 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -0.570 3.928 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -2.142 4.271 -2.077 1.00 0.00 H new ATOM 128 N LYS A 726 -0.557 8.698 -2.224 1.00 0.00 N ATOM 129 CA LYS A 726 -0.253 10.119 -2.254 1.00 0.00 C ATOM 130 C LYS A 726 1.230 10.325 -2.528 1.00 0.00 C ATOM 131 O LYS A 726 1.656 11.407 -2.930 1.00 0.00 O ATOM 132 CB LYS A 726 -0.644 10.757 -0.926 1.00 0.00 C ATOM 133 CG LYS A 726 -2.038 10.365 -0.467 1.00 0.00 C ATOM 134 CD LYS A 726 -2.504 11.196 0.713 1.00 0.00 C ATOM 135 CE LYS A 726 -2.796 12.624 0.293 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.077 13.502 1.463 1.00 0.00 N ATOM 0 H LYS A 726 -0.367 8.254 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.823 10.594 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 726 0.079 10.467 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.590 11.842 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.739 10.485 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.046 9.310 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.400 10.750 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -1.739 11.191 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -1.945 13.020 -0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.651 12.636 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -2.840 14.486 1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.085 13.439 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.502 13.195 2.273 1.00 0.00 H new ATOM 150 N LEU A 727 2.010 9.271 -2.302 1.00 0.00 N ATOM 151 CA LEU A 727 3.433 9.290 -2.604 1.00 0.00 C ATOM 152 C LEU A 727 3.642 9.310 -4.117 1.00 0.00 C ATOM 153 O LEU A 727 3.336 8.335 -4.806 1.00 0.00 O ATOM 154 CB LEU A 727 4.128 8.068 -1.993 1.00 0.00 C ATOM 155 CG LEU A 727 5.608 7.900 -2.351 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.387 9.158 -2.012 1.00 0.00 C ATOM 157 CD2 LEU A 727 6.195 6.703 -1.624 1.00 0.00 C ATOM 0 H LEU A 727 1.676 8.391 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 727 3.871 10.189 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 727 4.040 8.127 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.593 7.172 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 727 5.684 7.728 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.436 9.018 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 727 5.982 9.999 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.304 9.361 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 727 7.247 6.597 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 727 6.105 6.851 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.655 5.801 -1.913 1.00 0.00 H new ATOM 169 N HIS A 728 4.163 10.413 -4.631 1.00 0.00 N ATOM 170 CA HIS A 728 4.287 10.589 -6.073 1.00 0.00 C ATOM 171 C HIS A 728 5.750 10.607 -6.513 1.00 0.00 C ATOM 172 O HIS A 728 6.160 11.464 -7.289 1.00 0.00 O ATOM 173 CB HIS A 728 3.595 11.889 -6.497 1.00 0.00 C ATOM 174 CG HIS A 728 3.349 12.006 -7.976 1.00 0.00 C ATOM 175 ND1 HIS A 728 4.092 12.820 -8.802 1.00 0.00 N ATOM 176 CD2 HIS A 728 2.428 11.412 -8.770 1.00 0.00 C ATOM 177 CE1 HIS A 728 3.640 12.723 -10.039 1.00 0.00 C ATOM 178 NE2 HIS A 728 2.632 11.875 -10.046 1.00 0.00 N ATOM 0 H HIS A 728 4.506 11.197 -4.076 1.00 0.00 H new ATOM 0 HA HIS A 728 3.804 9.741 -6.560 1.00 0.00 H new ATOM 0 HB2 HIS A 728 2.641 11.966 -5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 728 4.204 12.733 -6.174 1.00 0.00 H new ATOM 0 HD2 HIS A 728 1.673 10.705 -8.458 1.00 0.00 H new ATOM 0 HE1 HIS A 728 4.030 13.249 -10.898 1.00 0.00 H new ATOM 0 HE2 HIS A 728 2.090 11.606 -10.867 1.00 0.00 H new ATOM 187 N HIS A 729 6.537 9.667 -6.005 1.00 0.00 N ATOM 188 CA HIS A 729 7.945 9.548 -6.385 1.00 0.00 C ATOM 189 C HIS A 729 8.586 8.359 -5.696 1.00 0.00 C ATOM 190 O HIS A 729 7.919 7.626 -4.963 1.00 0.00 O ATOM 191 CB HIS A 729 8.746 10.818 -6.057 1.00 0.00 C ATOM 192 CG HIS A 729 8.633 11.259 -4.636 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.624 11.079 -3.695 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.626 11.895 -4.005 1.00 0.00 C ATOM 195 CE1 HIS A 729 9.228 11.589 -2.545 1.00 0.00 C ATOM 196 NE2 HIS A 729 8.018 12.092 -2.705 1.00 0.00 N ATOM 0 H HIS A 729 6.226 8.972 -5.326 1.00 0.00 H new ATOM 0 HA HIS A 729 7.966 9.404 -7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.796 10.642 -6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.407 11.626 -6.705 1.00 0.00 H new ATOM 0 HD1 HIS A 729 10.521 10.624 -3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.685 12.194 -4.442 1.00 0.00 H new ATOM 0 HE1 HIS A 729 9.797 11.594 -1.627 1.00 0.00 H new ATOM 205 N ASP A 730 9.877 8.176 -5.932 1.00 0.00 N ATOM 206 CA ASP A 730 10.637 7.135 -5.263 1.00 0.00 C ATOM 207 C ASP A 730 10.943 7.561 -3.832 1.00 0.00 C ATOM 208 O ASP A 730 11.261 8.724 -3.565 1.00 0.00 O ATOM 209 CB ASP A 730 11.930 6.824 -6.027 1.00 0.00 C ATOM 210 CG ASP A 730 12.898 7.992 -6.065 1.00 0.00 C ATOM 211 OD1 ASP A 730 14.041 7.835 -5.590 1.00 0.00 O ATOM 212 OD2 ASP A 730 12.524 9.070 -6.576 1.00 0.00 O ATOM 0 H ASP A 730 10.421 8.739 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 730 10.039 6.224 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.421 5.968 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.680 6.534 -7.048 1.00 0.00 H new ATOM 217 N LEU A 731 10.798 6.621 -2.920 1.00 0.00 N ATOM 218 CA LEU A 731 10.968 6.879 -1.504 1.00 0.00 C ATOM 219 C LEU A 731 12.342 6.415 -1.028 1.00 0.00 C ATOM 220 O LEU A 731 12.635 5.225 -1.011 1.00 0.00 O ATOM 221 CB LEU A 731 9.850 6.177 -0.748 1.00 0.00 C ATOM 222 CG LEU A 731 9.819 6.429 0.741 1.00 0.00 C ATOM 223 CD1 LEU A 731 9.842 7.919 1.050 1.00 0.00 C ATOM 224 CD2 LEU A 731 8.591 5.786 1.347 1.00 0.00 C ATOM 0 H LEU A 731 10.558 5.654 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 731 10.913 7.951 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 731 8.896 6.489 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 731 9.938 5.104 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 731 10.712 5.984 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 731 9.819 8.067 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 731 10.751 8.361 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.972 8.397 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.575 5.972 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 731 7.696 6.211 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 731 8.616 4.712 1.165 1.00 0.00 H new ATOM 236 N LYS A 732 13.172 7.373 -0.646 1.00 0.00 N ATOM 237 CA LYS A 732 14.565 7.108 -0.296 1.00 0.00 C ATOM 238 C LYS A 732 14.702 6.518 1.110 1.00 0.00 C ATOM 239 O LYS A 732 14.462 7.202 2.105 1.00 0.00 O ATOM 240 CB LYS A 732 15.366 8.408 -0.388 1.00 0.00 C ATOM 241 CG LYS A 732 15.226 9.118 -1.728 1.00 0.00 C ATOM 242 CD LYS A 732 15.980 8.405 -2.842 1.00 0.00 C ATOM 243 CE LYS A 732 17.484 8.490 -2.639 1.00 0.00 C ATOM 244 NZ LYS A 732 18.239 7.950 -3.800 1.00 0.00 N ATOM 0 H LYS A 732 12.903 8.354 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 732 14.953 6.372 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.042 9.081 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.419 8.189 -0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.171 9.186 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 732 15.598 10.139 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 732 15.675 7.359 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.716 8.847 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 732 17.768 9.529 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 732 17.759 7.938 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 19.232 8.252 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 18.192 6.911 -3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 17.822 8.309 -4.683 1.00 0.00 H new ATOM 258 N LEU A 733 15.085 5.249 1.179 1.00 0.00 N ATOM 259 CA LEU A 733 15.356 4.578 2.450 1.00 0.00 C ATOM 260 C LEU A 733 16.813 4.141 2.522 1.00 0.00 C ATOM 261 O LEU A 733 17.511 4.088 1.505 1.00 0.00 O ATOM 262 CB LEU A 733 14.468 3.338 2.626 1.00 0.00 C ATOM 263 CG LEU A 733 13.140 3.543 3.358 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.319 4.615 2.696 1.00 0.00 C ATOM 265 CD2 LEU A 733 12.374 2.235 3.436 1.00 0.00 C ATOM 0 H LEU A 733 15.217 4.655 0.360 1.00 0.00 H new ATOM 0 HA LEU A 733 15.139 5.292 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.253 2.930 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.041 2.583 3.165 1.00 0.00 H new ATOM 0 HG LEU A 733 13.354 3.874 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.381 4.740 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.872 5.555 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 733 12.109 4.328 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 733 11.431 2.396 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 733 12.172 1.871 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 733 12.968 1.497 3.976 1.00 0.00 H new ATOM 277 N CYS A 734 17.260 3.832 3.726 1.00 0.00 N ATOM 278 CA CYS A 734 18.593 3.300 3.949 1.00 0.00 C ATOM 279 C CYS A 734 18.498 1.881 4.504 1.00 0.00 C ATOM 280 O CYS A 734 17.406 1.312 4.574 1.00 0.00 O ATOM 281 CB CYS A 734 19.380 4.204 4.900 1.00 0.00 C ATOM 282 SG CYS A 734 19.629 5.884 4.277 1.00 0.00 S ATOM 0 H CYS A 734 16.709 3.943 4.577 1.00 0.00 H new ATOM 0 HA CYS A 734 19.125 3.268 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 734 18.856 4.255 5.854 1.00 0.00 H new ATOM 0 HB3 CYS A 734 20.352 3.751 5.094 1.00 0.00 H new ATOM 0 HG CYS A 734 20.301 6.575 5.149 1.00 0.00 H new ATOM 288 N LEU A 735 19.628 1.299 4.880 1.00 0.00 N ATOM 289 CA LEU A 735 19.642 -0.072 5.373 1.00 0.00 C ATOM 290 C LEU A 735 18.893 -0.172 6.690 1.00 0.00 C ATOM 291 O LEU A 735 19.212 0.529 7.652 1.00 0.00 O ATOM 292 CB LEU A 735 21.061 -0.561 5.577 1.00 0.00 C ATOM 293 CG LEU A 735 21.233 -2.071 5.742 1.00 0.00 C ATOM 294 CD1 LEU A 735 20.610 -2.796 4.573 1.00 0.00 C ATOM 295 CD2 LEU A 735 22.702 -2.429 5.850 1.00 0.00 C ATOM 0 H LEU A 735 20.542 1.751 4.854 1.00 0.00 H new ATOM 0 HA LEU A 735 19.153 -0.695 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.661 -0.238 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.470 -0.070 6.460 1.00 0.00 H new ATOM 0 HG LEU A 735 20.731 -2.378 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 735 20.738 -3.871 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 735 19.547 -2.561 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 735 21.094 -2.480 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 735 22.806 -3.508 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.222 -2.110 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 735 23.136 -1.927 6.714 1.00 0.00 H new ATOM 307 N GLY A 736 17.899 -1.040 6.727 1.00 0.00 N ATOM 308 CA GLY A 736 17.131 -1.226 7.941 1.00 0.00 C ATOM 309 C GLY A 736 16.093 -0.142 8.136 1.00 0.00 C ATOM 310 O GLY A 736 15.544 0.014 9.226 1.00 0.00 O ATOM 0 H GLY A 736 17.608 -1.620 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 736 16.637 -2.197 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 736 17.806 -1.238 8.797 1.00 0.00 H new ATOM 314 N ASP A 737 15.845 0.628 7.091 1.00 0.00 N ATOM 315 CA ASP A 737 14.804 1.651 7.129 1.00 0.00 C ATOM 316 C ASP A 737 13.426 1.040 6.892 1.00 0.00 C ATOM 317 O ASP A 737 13.294 0.006 6.234 1.00 0.00 O ATOM 318 CB ASP A 737 15.060 2.731 6.074 1.00 0.00 C ATOM 319 CG ASP A 737 15.452 4.065 6.672 1.00 0.00 C ATOM 320 OD1 ASP A 737 14.567 4.770 7.196 1.00 0.00 O ATOM 321 OD2 ASP A 737 16.640 4.431 6.591 1.00 0.00 O ATOM 0 H ASP A 737 16.347 0.568 6.205 1.00 0.00 H new ATOM 0 HA ASP A 737 14.830 2.102 8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 737 15.850 2.394 5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.162 2.860 5.470 1.00 0.00 H new ATOM 326 N HIS A 738 12.409 1.682 7.446 1.00 0.00 N ATOM 327 CA HIS A 738 11.027 1.342 7.158 1.00 0.00 C ATOM 328 C HIS A 738 10.398 2.554 6.500 1.00 0.00 C ATOM 329 O HIS A 738 10.792 3.685 6.786 1.00 0.00 O ATOM 330 CB HIS A 738 10.262 0.942 8.433 1.00 0.00 C ATOM 331 CG HIS A 738 9.976 2.068 9.383 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.817 2.421 10.414 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.922 2.916 9.459 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.297 3.433 11.078 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.145 3.757 10.519 1.00 0.00 N ATOM 0 H HIS A 738 12.520 2.452 8.106 1.00 0.00 H new ATOM 0 HA HIS A 738 10.982 0.477 6.496 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.317 0.484 8.142 1.00 0.00 H new ATOM 0 HB3 HIS A 738 10.837 0.180 8.959 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.063 2.928 8.804 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.739 3.917 11.936 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.525 4.507 10.825 1.00 0.00 H new ATOM 344 N SER A 739 9.440 2.350 5.627 1.00 0.00 N ATOM 345 CA SER A 739 8.971 3.456 4.813 1.00 0.00 C ATOM 346 C SER A 739 7.633 3.980 5.302 1.00 0.00 C ATOM 347 O SER A 739 6.970 3.362 6.137 1.00 0.00 O ATOM 348 CB SER A 739 8.883 3.060 3.339 1.00 0.00 C ATOM 349 OG SER A 739 7.635 2.476 3.027 1.00 0.00 O ATOM 0 H SER A 739 8.978 1.456 5.461 1.00 0.00 H new ATOM 0 HA SER A 739 9.702 4.259 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 739 9.038 3.941 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 739 9.682 2.358 3.103 1.00 0.00 H new ATOM 0 HG SER A 739 7.478 1.707 3.614 1.00 0.00 H new ATOM 355 N SER A 740 7.259 5.133 4.787 1.00 0.00 N ATOM 356 CA SER A 740 5.984 5.739 5.091 1.00 0.00 C ATOM 357 C SER A 740 5.394 6.335 3.821 1.00 0.00 C ATOM 358 O SER A 740 5.783 7.418 3.381 1.00 0.00 O ATOM 359 CB SER A 740 6.157 6.808 6.170 1.00 0.00 C ATOM 360 OG SER A 740 6.748 6.250 7.336 1.00 0.00 O ATOM 0 H SER A 740 7.835 5.676 4.144 1.00 0.00 H new ATOM 0 HA SER A 740 5.298 4.983 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 740 6.781 7.617 5.791 1.00 0.00 H new ATOM 0 HB3 SER A 740 5.188 7.242 6.419 1.00 0.00 H new ATOM 0 HG SER A 740 6.853 6.948 8.016 1.00 0.00 H new ATOM 366 N VAL A 741 4.467 5.606 3.235 1.00 0.00 N ATOM 367 CA VAL A 741 3.813 6.022 2.012 1.00 0.00 C ATOM 368 C VAL A 741 2.353 6.343 2.290 1.00 0.00 C ATOM 369 O VAL A 741 1.566 5.471 2.660 1.00 0.00 O ATOM 370 CB VAL A 741 3.946 4.948 0.905 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.809 3.549 1.482 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.920 5.169 -0.201 1.00 0.00 C ATOM 0 H VAL A 741 4.145 4.707 3.594 1.00 0.00 H new ATOM 0 HA VAL A 741 4.307 6.922 1.647 1.00 0.00 H new ATOM 0 HB VAL A 741 4.942 5.044 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.906 2.815 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.590 3.383 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.832 3.444 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 741 3.037 4.400 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.915 5.114 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 741 3.073 6.151 -0.649 1.00 0.00 H new ATOM 382 N PRO A 742 1.981 7.614 2.144 1.00 0.00 N ATOM 383 CA PRO A 742 0.625 8.057 2.396 1.00 0.00 C ATOM 384 C PRO A 742 -0.313 7.640 1.276 1.00 0.00 C ATOM 385 O PRO A 742 0.022 7.778 0.104 1.00 0.00 O ATOM 386 CB PRO A 742 0.731 9.584 2.486 1.00 0.00 C ATOM 387 CG PRO A 742 2.156 9.942 2.186 1.00 0.00 C ATOM 388 CD PRO A 742 2.852 8.706 1.701 1.00 0.00 C ATOM 0 HA PRO A 742 0.212 7.615 3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 742 0.056 10.060 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.446 9.933 3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.201 10.726 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.647 10.331 3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.966 8.711 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.852 8.617 2.126 1.00 0.00 H new ATOM 396 N VAL A 743 -1.462 7.086 1.631 1.00 0.00 N ATOM 397 CA VAL A 743 -2.472 6.751 0.639 1.00 0.00 C ATOM 398 C VAL A 743 -3.851 7.277 1.017 1.00 0.00 C ATOM 399 O VAL A 743 -4.403 6.934 2.058 1.00 0.00 O ATOM 400 CB VAL A 743 -2.574 5.240 0.391 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.591 4.476 1.688 1.00 0.00 C ATOM 402 CG2 VAL A 743 -3.796 4.922 -0.450 1.00 0.00 C ATOM 0 H VAL A 743 -1.718 6.860 2.592 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.141 7.239 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.689 4.925 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.664 3.408 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.673 4.676 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.449 4.789 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -3.853 3.846 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.693 5.257 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.721 5.434 -1.409 1.00 0.00 H new ATOM 412 N ALA A 744 -4.401 8.113 0.164 1.00 0.00 N ATOM 413 CA ALA A 744 -5.792 8.488 0.269 1.00 0.00 C ATOM 414 C ALA A 744 -6.638 7.392 -0.345 1.00 0.00 C ATOM 415 O ALA A 744 -6.848 7.329 -1.555 1.00 0.00 O ATOM 416 CB ALA A 744 -6.044 9.836 -0.369 1.00 0.00 C ATOM 0 H ALA A 744 -3.903 8.547 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.069 8.595 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.099 10.092 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.441 10.594 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.774 9.795 -1.424 1.00 0.00 H new ATOM 422 N LEU A 745 -7.096 6.516 0.522 1.00 0.00 N ATOM 423 CA LEU A 745 -7.756 5.291 0.127 1.00 0.00 C ATOM 424 C LEU A 745 -9.169 5.554 -0.364 1.00 0.00 C ATOM 425 O LEU A 745 -9.820 6.509 0.061 1.00 0.00 O ATOM 426 CB LEU A 745 -7.762 4.341 1.316 1.00 0.00 C ATOM 427 CG LEU A 745 -6.379 4.114 1.933 1.00 0.00 C ATOM 428 CD1 LEU A 745 -6.462 3.974 3.433 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.716 2.895 1.332 1.00 0.00 C ATOM 0 H LEU A 745 -7.020 6.635 1.532 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.213 4.841 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.430 4.736 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.171 3.381 1.000 1.00 0.00 H new ATOM 0 HG LEU A 745 -5.772 4.991 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -5.463 3.814 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -6.886 4.883 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.096 3.124 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.735 2.754 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.333 2.016 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.602 3.036 0.257 1.00 0.00 H new ATOM 441 N LYS A 746 -9.639 4.698 -1.248 1.00 0.00 N ATOM 442 CA LYS A 746 -10.954 4.848 -1.833 1.00 0.00 C ATOM 443 C LYS A 746 -11.903 3.818 -1.248 1.00 0.00 C ATOM 444 O LYS A 746 -11.477 2.809 -0.690 1.00 0.00 O ATOM 445 CB LYS A 746 -10.887 4.700 -3.339 1.00 0.00 C ATOM 446 CG LYS A 746 -12.096 5.276 -4.060 1.00 0.00 C ATOM 447 CD LYS A 746 -11.918 5.254 -5.565 1.00 0.00 C ATOM 448 CE LYS A 746 -10.923 6.306 -6.037 1.00 0.00 C ATOM 449 NZ LYS A 746 -11.398 7.689 -5.761 1.00 0.00 N ATOM 0 H LYS A 746 -9.123 3.883 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.326 5.846 -1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -9.987 5.194 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.795 3.643 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.985 4.706 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -12.262 6.301 -3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -11.576 4.267 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.881 5.424 -6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -9.965 6.146 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -10.752 6.189 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -10.879 8.361 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -12.415 7.754 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -11.233 7.920 -4.760 1.00 0.00 H new ATOM 463 N GLY A 747 -13.178 4.064 -1.409 1.00 0.00 N ATOM 464 CA GLY A 747 -14.183 3.204 -0.820 1.00 0.00 C ATOM 465 C GLY A 747 -14.732 3.791 0.458 1.00 0.00 C ATOM 466 O GLY A 747 -13.973 4.186 1.343 1.00 0.00 O ATOM 0 H GLY A 747 -13.549 4.851 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -14.996 3.052 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.751 2.224 -0.616 1.00 0.00 H new ATOM 470 N GLN A 748 -16.048 3.850 0.564 1.00 0.00 N ATOM 471 CA GLN A 748 -16.677 4.496 1.705 1.00 0.00 C ATOM 472 C GLN A 748 -17.294 3.466 2.638 1.00 0.00 C ATOM 473 O GLN A 748 -18.319 2.856 2.315 1.00 0.00 O ATOM 474 CB GLN A 748 -17.757 5.478 1.242 1.00 0.00 C ATOM 475 CG GLN A 748 -17.381 6.292 0.009 1.00 0.00 C ATOM 476 CD GLN A 748 -16.116 7.104 0.189 1.00 0.00 C ATOM 477 OE1 GLN A 748 -15.798 7.554 1.289 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.385 7.291 -0.897 1.00 0.00 N ATOM 0 H GLN A 748 -16.698 3.462 -0.120 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.904 5.043 2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.670 4.922 1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -17.983 6.163 2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.254 5.618 -0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -18.203 6.963 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -15.687 6.899 -1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -14.519 7.827 -0.843 1.00 0.00 H new ATOM 487 N GLY A 749 -16.671 3.273 3.787 1.00 0.00 N ATOM 488 CA GLY A 749 -17.166 2.312 4.746 1.00 0.00 C ATOM 489 C GLY A 749 -16.106 1.318 5.145 1.00 0.00 C ATOM 490 O GLY A 749 -14.942 1.487 4.800 1.00 0.00 O ATOM 0 H GLY A 749 -15.826 3.768 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.525 2.835 5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -18.019 1.782 4.322 1.00 0.00 H new ATOM 494 N PRO A 750 -16.481 0.277 5.888 1.00 0.00 N ATOM 495 CA PRO A 750 -15.549 -0.748 6.346 1.00 0.00 C ATOM 496 C PRO A 750 -15.055 -1.628 5.204 1.00 0.00 C ATOM 497 O PRO A 750 -15.709 -2.600 4.821 1.00 0.00 O ATOM 498 CB PRO A 750 -16.372 -1.572 7.346 1.00 0.00 C ATOM 499 CG PRO A 750 -17.605 -0.772 7.600 1.00 0.00 C ATOM 500 CD PRO A 750 -17.841 0.024 6.359 1.00 0.00 C ATOM 0 HA PRO A 750 -14.650 -0.313 6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.617 -2.553 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.816 -1.740 8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.454 -1.421 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.476 -0.120 8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.429 -0.529 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.379 0.949 6.566 1.00 0.00 H new ATOM 508 N PHE A 751 -13.904 -1.276 4.658 1.00 0.00 N ATOM 509 CA PHE A 751 -13.315 -2.027 3.564 1.00 0.00 C ATOM 510 C PHE A 751 -11.971 -2.627 3.966 1.00 0.00 C ATOM 511 O PHE A 751 -11.148 -1.959 4.585 1.00 0.00 O ATOM 512 CB PHE A 751 -13.152 -1.127 2.339 1.00 0.00 C ATOM 513 CG PHE A 751 -14.456 -0.801 1.662 1.00 0.00 C ATOM 514 CD1 PHE A 751 -15.134 0.378 1.931 1.00 0.00 C ATOM 515 CD2 PHE A 751 -15.007 -1.687 0.752 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.331 0.661 1.304 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.204 -1.404 0.124 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.867 -0.230 0.400 1.00 0.00 C ATOM 0 H PHE A 751 -13.356 -0.469 4.957 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.986 -2.849 3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.665 -0.199 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.491 -1.616 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.722 1.082 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.494 -2.611 0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.849 1.583 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.620 -2.105 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.804 -0.008 -0.090 1.00 0.00 H new ATOM 528 N THR A 752 -11.753 -3.893 3.618 1.00 0.00 N ATOM 529 CA THR A 752 -10.484 -4.546 3.921 1.00 0.00 C ATOM 530 C THR A 752 -9.494 -4.253 2.820 1.00 0.00 C ATOM 531 O THR A 752 -9.613 -4.758 1.708 1.00 0.00 O ATOM 532 CB THR A 752 -10.626 -6.073 4.127 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.558 -6.334 5.185 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.283 -6.699 4.469 1.00 0.00 C ATOM 0 H THR A 752 -12.430 -4.481 3.132 1.00 0.00 H new ATOM 0 HA THR A 752 -10.125 -4.140 4.867 1.00 0.00 H new ATOM 0 HB THR A 752 -10.990 -6.513 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 752 -11.529 -7.285 5.420 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.407 -7.773 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.580 -6.518 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 752 -8.898 -6.255 5.387 1.00 0.00 H new ATOM 542 N LEU A 753 -8.535 -3.413 3.144 1.00 0.00 N ATOM 543 CA LEU A 753 -7.608 -2.891 2.176 1.00 0.00 C ATOM 544 C LEU A 753 -6.302 -3.687 2.208 1.00 0.00 C ATOM 545 O LEU A 753 -5.615 -3.735 3.227 1.00 0.00 O ATOM 546 CB LEU A 753 -7.385 -1.413 2.496 1.00 0.00 C ATOM 547 CG LEU A 753 -6.700 -0.576 1.424 1.00 0.00 C ATOM 548 CD1 LEU A 753 -5.244 -0.376 1.776 1.00 0.00 C ATOM 549 CD2 LEU A 753 -6.840 -1.198 0.043 1.00 0.00 C ATOM 0 H LEU A 753 -8.380 -3.074 4.093 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.005 -2.985 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.353 -0.962 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.792 -1.348 3.408 1.00 0.00 H new ATOM 0 HG LEU A 753 -7.195 0.394 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -4.762 0.224 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -5.169 0.138 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -4.750 -1.345 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -6.337 -0.569 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.387 -2.189 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -7.896 -1.282 -0.213 1.00 0.00 H new ATOM 561 N THR A 754 -5.987 -4.329 1.091 1.00 0.00 N ATOM 562 CA THR A 754 -4.809 -5.179 0.990 1.00 0.00 C ATOM 563 C THR A 754 -3.840 -4.650 -0.063 1.00 0.00 C ATOM 564 O THR A 754 -4.263 -4.220 -1.141 1.00 0.00 O ATOM 565 CB THR A 754 -5.212 -6.601 0.597 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.498 -6.912 1.146 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.186 -7.583 1.113 1.00 0.00 C ATOM 0 H THR A 754 -6.538 -4.276 0.234 1.00 0.00 H new ATOM 0 HA THR A 754 -4.323 -5.180 1.966 1.00 0.00 H new ATOM 0 HB THR A 754 -5.262 -6.671 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 754 -7.195 -6.469 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.477 -8.595 0.831 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.212 -7.352 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.128 -7.512 2.199 1.00 0.00 H new ATOM 575 N TYR A 755 -2.546 -4.697 0.233 1.00 0.00 N ATOM 576 CA TYR A 755 -1.542 -4.221 -0.710 1.00 0.00 C ATOM 577 C TYR A 755 -0.241 -5.022 -0.616 1.00 0.00 C ATOM 578 O TYR A 755 0.034 -5.665 0.402 1.00 0.00 O ATOM 579 CB TYR A 755 -1.281 -2.728 -0.488 1.00 0.00 C ATOM 580 CG TYR A 755 -1.033 -2.349 0.957 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.217 -2.503 1.549 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.059 -1.824 1.729 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.430 -2.144 2.863 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.855 -1.465 3.046 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.607 -1.629 3.608 1.00 0.00 C ATOM 586 OH TYR A 755 -0.391 -1.275 4.919 1.00 0.00 O ATOM 0 H TYR A 755 -2.170 -5.057 1.110 1.00 0.00 H new ATOM 0 HA TYR A 755 -1.933 -4.368 -1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.418 -2.429 -1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.136 -2.162 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 755 1.033 -2.910 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.037 -1.694 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.407 -2.266 3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.667 -1.059 3.631 1.00 0.00 H new ATOM 0 HH TYR A 755 -0.423 -2.075 5.484 1.00 0.00 H new ATOM 596 N ASP A 756 0.548 -4.970 -1.689 1.00 0.00 N ATOM 597 CA ASP A 756 1.810 -5.705 -1.784 1.00 0.00 C ATOM 598 C ASP A 756 2.967 -4.759 -2.053 1.00 0.00 C ATOM 599 O ASP A 756 2.981 -4.046 -3.057 1.00 0.00 O ATOM 600 CB ASP A 756 1.772 -6.733 -2.920 1.00 0.00 C ATOM 601 CG ASP A 756 1.677 -8.167 -2.440 1.00 0.00 C ATOM 602 OD1 ASP A 756 0.774 -8.893 -2.905 1.00 0.00 O ATOM 603 OD2 ASP A 756 2.513 -8.586 -1.612 1.00 0.00 O ATOM 0 H ASP A 756 0.330 -4.417 -2.518 1.00 0.00 H new ATOM 0 HA ASP A 756 1.950 -6.213 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 756 0.920 -6.518 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.669 -6.622 -3.529 1.00 0.00 H new ATOM 608 N ILE A 757 3.925 -4.753 -1.154 1.00 0.00 N ATOM 609 CA ILE A 757 5.180 -4.068 -1.374 1.00 0.00 C ATOM 610 C ILE A 757 6.138 -5.044 -2.045 1.00 0.00 C ATOM 611 O ILE A 757 6.774 -5.867 -1.390 1.00 0.00 O ATOM 612 CB ILE A 757 5.790 -3.534 -0.055 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.960 -2.392 0.500 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.196 -3.048 -0.282 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.748 -2.821 1.300 1.00 0.00 C ATOM 0 H ILE A 757 3.857 -5.222 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 757 5.005 -3.200 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 757 5.798 -4.356 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.596 -1.773 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.629 -1.766 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.608 -2.676 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.811 -3.870 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.189 -2.245 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.216 -1.939 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 757 3.086 -3.413 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 757 4.068 -3.420 2.152 1.00 0.00 H new ATOM 627 N ILE A 758 6.216 -4.963 -3.357 1.00 0.00 N ATOM 628 CA ILE A 758 6.882 -5.979 -4.149 1.00 0.00 C ATOM 629 C ILE A 758 8.293 -5.588 -4.528 1.00 0.00 C ATOM 630 O ILE A 758 8.624 -4.414 -4.640 1.00 0.00 O ATOM 631 CB ILE A 758 6.074 -6.289 -5.418 1.00 0.00 C ATOM 632 CG1 ILE A 758 5.941 -5.044 -6.292 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.695 -6.814 -5.047 1.00 0.00 C ATOM 634 CD1 ILE A 758 6.942 -4.975 -7.429 1.00 0.00 C ATOM 0 H ILE A 758 5.823 -4.196 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 758 6.944 -6.870 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 758 6.606 -7.054 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 758 4.934 -5.010 -6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.057 -4.160 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.132 -7.030 -5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.799 -7.726 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.165 -6.063 -4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 758 6.780 -4.061 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.954 -4.975 -7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 758 6.812 -5.839 -8.081 1.00 0.00 H new ATOM 646 N GLU A 759 9.121 -6.592 -4.713 1.00 0.00 N ATOM 647 CA GLU A 759 10.502 -6.377 -5.061 1.00 0.00 C ATOM 648 C GLU A 759 10.722 -6.347 -6.557 1.00 0.00 C ATOM 649 O GLU A 759 10.443 -7.316 -7.261 1.00 0.00 O ATOM 650 CB GLU A 759 11.357 -7.462 -4.464 1.00 0.00 C ATOM 651 CG GLU A 759 11.654 -7.244 -3.016 1.00 0.00 C ATOM 652 CD GLU A 759 13.125 -7.397 -2.727 1.00 0.00 C ATOM 653 OE1 GLU A 759 13.825 -6.379 -2.618 1.00 0.00 O ATOM 654 OE2 GLU A 759 13.590 -8.549 -2.626 1.00 0.00 O ATOM 0 H GLU A 759 8.856 -7.573 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 759 10.783 -5.403 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 759 10.853 -8.421 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.295 -7.522 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 759 11.326 -6.247 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 759 11.088 -7.956 -2.416 1.00 0.00 H new ATOM 661 N THR A 760 11.226 -5.231 -7.029 1.00 0.00 N ATOM 662 CA THR A 760 11.650 -5.110 -8.406 1.00 0.00 C ATOM 663 C THR A 760 13.157 -5.350 -8.505 1.00 0.00 C ATOM 664 O THR A 760 13.732 -5.397 -9.593 1.00 0.00 O ATOM 665 CB THR A 760 11.249 -3.735 -8.986 1.00 0.00 C ATOM 666 OG1 THR A 760 11.984 -3.435 -10.178 1.00 0.00 O ATOM 667 CG2 THR A 760 11.438 -2.627 -7.962 1.00 0.00 C ATOM 0 H THR A 760 11.354 -4.385 -6.474 1.00 0.00 H new ATOM 0 HA THR A 760 11.145 -5.868 -9.004 1.00 0.00 H new ATOM 0 HB THR A 760 10.191 -3.792 -9.241 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.551 -4.199 -10.413 1.00 0.00 H new ATOM 0 HG21 THR A 760 11.147 -1.673 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.818 -2.829 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.485 -2.584 -7.661 1.00 0.00 H new ATOM 739 N ARG A 765 8.781 -9.589 -1.799 1.00 0.00 N ATOM 740 CA ARG A 765 7.487 -8.907 -1.743 1.00 0.00 C ATOM 741 C ARG A 765 6.905 -9.012 -0.337 1.00 0.00 C ATOM 742 O ARG A 765 7.293 -9.887 0.439 1.00 0.00 O ATOM 743 CB ARG A 765 6.498 -9.526 -2.731 1.00 0.00 C ATOM 744 CG ARG A 765 7.012 -9.615 -4.151 1.00 0.00 C ATOM 745 CD ARG A 765 5.926 -10.091 -5.104 1.00 0.00 C ATOM 746 NE ARG A 765 5.352 -11.371 -4.690 1.00 0.00 N ATOM 747 CZ ARG A 765 4.279 -11.922 -5.257 1.00 0.00 C ATOM 748 NH1 ARG A 765 3.661 -11.307 -6.257 1.00 0.00 N ATOM 749 NH2 ARG A 765 3.818 -13.083 -4.814 1.00 0.00 N ATOM 0 HA ARG A 765 7.648 -7.862 -2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.238 -10.527 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 765 5.580 -8.938 -2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 765 7.376 -8.638 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 765 7.859 -10.300 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 765 5.137 -9.341 -5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 765 6.342 -10.188 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 765 5.799 -11.872 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 765 4.007 -10.409 -6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 765 2.840 -11.732 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 765 4.284 -13.555 -4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 765 2.997 -13.505 -5.248 1.00 0.00 H new ATOM 763 N LYS A 766 5.969 -8.138 -0.010 1.00 0.00 N ATOM 764 CA LYS A 766 5.352 -8.158 1.303 1.00 0.00 C ATOM 765 C LYS A 766 3.890 -7.764 1.207 1.00 0.00 C ATOM 766 O LYS A 766 3.542 -6.808 0.541 1.00 0.00 O ATOM 767 CB LYS A 766 6.087 -7.216 2.254 1.00 0.00 C ATOM 768 CG LYS A 766 5.972 -7.639 3.712 1.00 0.00 C ATOM 769 CD LYS A 766 4.619 -7.318 4.327 1.00 0.00 C ATOM 770 CE LYS A 766 4.434 -8.075 5.635 1.00 0.00 C ATOM 771 NZ LYS A 766 3.098 -7.844 6.239 1.00 0.00 N ATOM 0 H LYS A 766 5.621 -7.409 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 766 5.417 -9.172 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.140 -7.175 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.687 -6.208 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 766 6.152 -8.711 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.752 -7.143 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.540 -6.246 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.824 -7.584 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 766 4.569 -9.142 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 766 5.206 -7.769 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 2.856 -8.641 6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 3.115 -6.965 6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 2.386 -7.764 5.486 1.00 0.00 H new ATOM 785 N THR A 767 3.048 -8.478 1.913 1.00 0.00 N ATOM 786 CA THR A 767 1.617 -8.245 1.838 1.00 0.00 C ATOM 787 C THR A 767 1.090 -7.726 3.168 1.00 0.00 C ATOM 788 O THR A 767 1.338 -8.321 4.219 1.00 0.00 O ATOM 789 CB THR A 767 0.857 -9.530 1.469 1.00 0.00 C ATOM 790 OG1 THR A 767 1.318 -10.040 0.210 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.642 -9.270 1.400 1.00 0.00 C ATOM 0 H THR A 767 3.324 -9.227 2.548 1.00 0.00 H new ATOM 0 HA THR A 767 1.452 -7.501 1.059 1.00 0.00 H new ATOM 0 HB THR A 767 1.049 -10.270 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.980 -9.425 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.160 -10.193 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.995 -8.919 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.845 -8.512 0.644 1.00 0.00 H new ATOM 799 N PHE A 768 0.369 -6.621 3.129 1.00 0.00 N ATOM 800 CA PHE A 768 -0.200 -6.054 4.326 1.00 0.00 C ATOM 801 C PHE A 768 -1.684 -5.805 4.104 1.00 0.00 C ATOM 802 O PHE A 768 -2.094 -5.338 3.038 1.00 0.00 O ATOM 803 CB PHE A 768 0.516 -4.758 4.686 1.00 0.00 C ATOM 804 CG PHE A 768 0.451 -4.416 6.142 1.00 0.00 C ATOM 805 CD1 PHE A 768 -0.748 -4.053 6.711 1.00 0.00 C ATOM 806 CD2 PHE A 768 1.587 -4.449 6.935 1.00 0.00 C ATOM 807 CE1 PHE A 768 -0.828 -3.727 8.050 1.00 0.00 C ATOM 808 CE2 PHE A 768 1.518 -4.127 8.277 1.00 0.00 C ATOM 809 CZ PHE A 768 0.308 -3.765 8.835 1.00 0.00 C ATOM 0 H PHE A 768 0.166 -6.101 2.276 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.076 -6.750 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.561 -4.836 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 768 0.080 -3.941 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 768 -1.639 -4.023 6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 768 2.535 -4.729 6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 768 -1.776 -3.443 8.483 1.00 0.00 H new ATOM 0 HE2 PHE A 768 2.408 -4.158 8.888 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.250 -3.512 9.883 1.00 0.00 H new ATOM 819 N GLU A 769 -2.475 -6.138 5.102 1.00 0.00 N ATOM 820 CA GLU A 769 -3.916 -6.051 5.010 1.00 0.00 C ATOM 821 C GLU A 769 -4.489 -5.315 6.214 1.00 0.00 C ATOM 822 O GLU A 769 -4.264 -5.709 7.359 1.00 0.00 O ATOM 823 CB GLU A 769 -4.475 -7.467 4.927 1.00 0.00 C ATOM 824 CG GLU A 769 -5.992 -7.553 4.902 1.00 0.00 C ATOM 825 CD GLU A 769 -6.485 -8.983 4.982 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.699 -9.609 3.923 1.00 0.00 O ATOM 827 OE2 GLU A 769 -6.648 -9.494 6.110 1.00 0.00 O ATOM 0 H GLU A 769 -2.135 -6.477 6.002 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.198 -5.488 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.083 -7.945 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.107 -8.038 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.400 -6.982 5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.365 -7.092 3.987 1.00 0.00 H new ATOM 834 N ILE A 770 -5.211 -4.239 5.952 1.00 0.00 N ATOM 835 CA ILE A 770 -5.854 -3.473 6.999 1.00 0.00 C ATOM 836 C ILE A 770 -7.355 -3.535 6.787 1.00 0.00 C ATOM 837 O ILE A 770 -7.873 -3.019 5.801 1.00 0.00 O ATOM 838 CB ILE A 770 -5.360 -2.010 6.989 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.868 -1.966 7.301 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.123 -1.167 7.997 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.101 -1.016 6.422 1.00 0.00 C ATOM 0 H ILE A 770 -5.366 -3.875 5.012 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.602 -3.895 7.972 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.538 -1.597 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.731 -1.676 8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.452 -2.967 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.754 -0.142 7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.185 -1.177 7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.979 -1.576 8.997 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.047 -1.035 6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.208 -1.317 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.491 -0.006 6.550 1.00 0.00 H new ATOM 853 N LYS A 771 -8.047 -4.218 7.678 1.00 0.00 N ATOM 854 CA LYS A 771 -9.456 -4.460 7.501 1.00 0.00 C ATOM 855 C LYS A 771 -10.298 -3.311 8.009 1.00 0.00 C ATOM 856 O LYS A 771 -9.927 -2.606 8.951 1.00 0.00 O ATOM 857 CB LYS A 771 -9.855 -5.745 8.197 1.00 0.00 C ATOM 858 CG LYS A 771 -8.713 -6.738 8.284 1.00 0.00 C ATOM 859 CD LYS A 771 -9.184 -8.124 8.659 1.00 0.00 C ATOM 860 CE LYS A 771 -9.984 -8.762 7.535 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.277 -10.194 7.804 1.00 0.00 N ATOM 0 H LYS A 771 -7.651 -4.613 8.531 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.640 -4.553 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.209 -5.515 9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.688 -6.201 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.197 -6.779 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -7.989 -6.391 9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.324 -8.750 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -9.797 -8.070 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -10.920 -8.219 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.430 -8.675 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -10.824 -10.591 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.384 -10.718 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -10.828 -10.277 8.682 1.00 0.00 H new ATOM 875 N GLU A 772 -11.442 -3.160 7.365 1.00 0.00 N ATOM 876 CA GLU A 772 -12.435 -2.153 7.710 1.00 0.00 C ATOM 877 C GLU A 772 -11.824 -0.757 7.792 1.00 0.00 C ATOM 878 O GLU A 772 -12.035 -0.048 8.777 1.00 0.00 O ATOM 879 CB GLU A 772 -13.102 -2.500 9.041 1.00 0.00 C ATOM 880 CG GLU A 772 -13.265 -3.993 9.258 1.00 0.00 C ATOM 881 CD GLU A 772 -14.347 -4.337 10.257 1.00 0.00 C ATOM 882 OE1 GLU A 772 -15.539 -4.285 9.889 1.00 0.00 O ATOM 883 OE2 GLU A 772 -14.011 -4.679 11.412 1.00 0.00 O ATOM 0 H GLU A 772 -11.713 -3.743 6.573 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.182 -2.148 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.510 -2.084 9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -14.082 -2.024 9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.496 -4.469 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.318 -4.409 9.601 1.00 0.00 H new ATOM 890 N ILE A 773 -11.068 -0.355 6.776 1.00 0.00 N ATOM 891 CA ILE A 773 -10.530 0.991 6.765 1.00 0.00 C ATOM 892 C ILE A 773 -11.663 1.954 6.451 1.00 0.00 C ATOM 893 O ILE A 773 -12.328 1.855 5.423 1.00 0.00 O ATOM 894 CB ILE A 773 -9.308 1.180 5.799 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.692 1.744 4.424 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.559 -0.129 5.615 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.718 3.266 4.364 1.00 0.00 C ATOM 0 H ILE A 773 -10.821 -0.929 5.970 1.00 0.00 H new ATOM 0 HA ILE A 773 -10.120 1.202 7.753 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.665 1.917 6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -8.986 1.373 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.675 1.363 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.716 0.026 4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.193 -0.478 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.230 -0.876 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -9.998 3.586 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.445 3.646 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.730 3.657 4.607 1.00 0.00 H new ATOM 909 N LYS A 774 -11.923 2.835 7.387 1.00 0.00 N ATOM 910 CA LYS A 774 -12.990 3.803 7.258 1.00 0.00 C ATOM 911 C LYS A 774 -12.366 5.185 7.235 1.00 0.00 C ATOM 912 O LYS A 774 -12.959 6.178 7.657 1.00 0.00 O ATOM 913 CB LYS A 774 -13.958 3.631 8.431 1.00 0.00 C ATOM 914 CG LYS A 774 -14.335 2.172 8.657 1.00 0.00 C ATOM 915 CD LYS A 774 -15.062 1.959 9.967 1.00 0.00 C ATOM 916 CE LYS A 774 -15.193 0.479 10.288 1.00 0.00 C ATOM 917 NZ LYS A 774 -15.871 0.255 11.590 1.00 0.00 N ATOM 0 H LYS A 774 -11.401 2.903 8.261 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.556 3.661 6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.503 4.031 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.860 4.213 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -14.965 1.831 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.433 1.560 8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -14.524 2.462 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -16.052 2.412 9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.754 -0.016 9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -14.203 0.023 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -15.941 -0.766 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -15.322 0.706 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -16.825 0.668 11.560 1.00 0.00 H new ATOM 931 N THR A 775 -11.150 5.213 6.714 1.00 0.00 N ATOM 932 CA THR A 775 -10.300 6.387 6.753 1.00 0.00 C ATOM 933 C THR A 775 -10.393 7.211 5.470 1.00 0.00 C ATOM 934 O THR A 775 -10.965 8.298 5.465 1.00 0.00 O ATOM 935 CB THR A 775 -8.845 5.949 6.934 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.793 4.800 7.788 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.011 7.067 7.534 1.00 0.00 C ATOM 0 H THR A 775 -10.723 4.412 6.248 1.00 0.00 H new ATOM 0 HA THR A 775 -10.637 7.005 7.585 1.00 0.00 H new ATOM 0 HB THR A 775 -8.435 5.702 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.861 4.519 7.902 1.00 0.00 H new ATOM 0 HG21 THR A 775 -6.981 6.730 7.652 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.035 7.934 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.417 7.341 8.508 1.00 0.00 H new ATOM 945 N ASN A 776 -9.786 6.672 4.405 1.00 0.00 N ATOM 946 CA ASN A 776 -9.756 7.277 3.066 1.00 0.00 C ATOM 947 C ASN A 776 -8.575 8.215 2.931 1.00 0.00 C ATOM 948 O ASN A 776 -8.413 8.899 1.923 1.00 0.00 O ATOM 949 CB ASN A 776 -11.063 7.985 2.702 1.00 0.00 C ATOM 950 CG ASN A 776 -12.249 7.039 2.622 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.393 7.454 2.798 1.00 0.00 O ATOM 952 ND2 ASN A 776 -11.990 5.759 2.396 1.00 0.00 N ATOM 0 H ASN A 776 -9.290 5.782 4.451 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.641 6.460 2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.270 8.757 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -10.942 8.489 1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.753 5.082 2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.028 5.451 2.254 1.00 0.00 H new ATOM 959 N GLU A 777 -7.751 8.226 3.962 1.00 0.00 N ATOM 960 CA GLU A 777 -6.485 8.914 3.950 1.00 0.00 C ATOM 961 C GLU A 777 -5.625 8.373 5.065 1.00 0.00 C ATOM 962 O GLU A 777 -5.787 8.735 6.226 1.00 0.00 O ATOM 963 CB GLU A 777 -6.682 10.398 4.118 1.00 0.00 C ATOM 964 CG GLU A 777 -5.371 11.152 4.198 1.00 0.00 C ATOM 965 CD GLU A 777 -5.522 12.646 4.020 1.00 0.00 C ATOM 966 OE1 GLU A 777 -5.342 13.137 2.884 1.00 0.00 O ATOM 967 OE2 GLU A 777 -5.806 13.341 5.018 1.00 0.00 O ATOM 0 H GLU A 777 -7.950 7.749 4.841 1.00 0.00 H new ATOM 0 HA GLU A 777 -5.995 8.748 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.267 10.781 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -7.260 10.584 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -4.906 10.954 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -4.694 10.770 3.434 1.00 0.00 H new ATOM 974 N TYR A 778 -4.718 7.505 4.712 1.00 0.00 N ATOM 975 CA TYR A 778 -3.978 6.764 5.707 1.00 0.00 C ATOM 976 C TYR A 778 -2.534 6.595 5.282 1.00 0.00 C ATOM 977 O TYR A 778 -2.252 6.206 4.155 1.00 0.00 O ATOM 978 CB TYR A 778 -4.667 5.423 5.946 1.00 0.00 C ATOM 979 CG TYR A 778 -3.917 4.493 6.877 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.035 4.613 8.256 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.092 3.491 6.375 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.352 3.765 9.107 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.405 2.640 7.220 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.538 2.781 8.585 1.00 0.00 C ATOM 985 OH TYR A 778 -1.857 1.934 9.430 1.00 0.00 O ATOM 0 H TYR A 778 -4.470 7.290 3.746 1.00 0.00 H new ATOM 0 HA TYR A 778 -3.966 7.316 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.660 5.606 6.357 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -4.806 4.923 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.671 5.382 8.670 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -2.987 3.376 5.306 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.455 3.872 10.177 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -1.768 1.869 6.813 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.330 1.299 8.902 1.00 0.00 H new ATOM 995 N VAL A 779 -1.615 6.920 6.175 1.00 0.00 N ATOM 996 CA VAL A 779 -0.211 6.808 5.857 1.00 0.00 C ATOM 997 C VAL A 779 0.294 5.422 6.209 1.00 0.00 C ATOM 998 O VAL A 779 0.309 5.024 7.375 1.00 0.00 O ATOM 999 CB VAL A 779 0.641 7.886 6.553 1.00 0.00 C ATOM 1000 CG1 VAL A 779 2.056 7.900 5.992 1.00 0.00 C ATOM 1001 CG2 VAL A 779 -0.003 9.247 6.401 1.00 0.00 C ATOM 0 H VAL A 779 -1.817 7.260 7.115 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.109 6.970 4.784 1.00 0.00 H new ATOM 0 HB VAL A 779 0.698 7.645 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 779 2.640 8.669 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 779 2.521 6.927 6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 779 2.022 8.114 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 779 0.611 9.998 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -0.090 9.492 5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -0.995 9.233 6.853 1.00 0.00 H new ATOM 1011 N ILE A 780 0.671 4.688 5.180 1.00 0.00 N ATOM 1012 CA ILE A 780 1.141 3.328 5.326 1.00 0.00 C ATOM 1013 C ILE A 780 2.604 3.309 5.743 1.00 0.00 C ATOM 1014 O ILE A 780 3.398 4.127 5.293 1.00 0.00 O ATOM 1015 CB ILE A 780 0.979 2.554 4.003 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.485 2.405 3.624 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.632 1.185 4.077 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.653 1.714 2.295 1.00 0.00 C ATOM 0 H ILE A 780 0.659 5.022 4.216 1.00 0.00 H new ATOM 0 HA ILE A 780 0.541 2.848 6.099 1.00 0.00 H new ATOM 0 HB ILE A 780 1.481 3.137 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.004 1.838 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -0.952 3.389 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.499 0.667 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.696 1.300 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.170 0.604 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.714 1.628 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.156 2.295 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.210 0.719 2.344 1.00 0.00 H new ATOM 1030 N LYS A 781 2.945 2.379 6.611 1.00 0.00 N ATOM 1031 CA LYS A 781 4.319 2.195 7.035 1.00 0.00 C ATOM 1032 C LYS A 781 4.758 0.781 6.713 1.00 0.00 C ATOM 1033 O LYS A 781 4.281 -0.179 7.321 1.00 0.00 O ATOM 1034 CB LYS A 781 4.493 2.471 8.535 1.00 0.00 C ATOM 1035 CG LYS A 781 4.741 3.936 8.883 1.00 0.00 C ATOM 1036 CD LYS A 781 3.528 4.811 8.625 1.00 0.00 C ATOM 1037 CE LYS A 781 2.449 4.573 9.664 1.00 0.00 C ATOM 1038 NZ LYS A 781 2.856 5.057 11.010 1.00 0.00 N ATOM 0 H LYS A 781 2.283 1.733 7.041 1.00 0.00 H new ATOM 0 HA LYS A 781 4.941 2.910 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.600 2.132 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.327 1.876 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 781 5.023 4.013 9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 781 5.583 4.307 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 781 3.824 5.860 8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 781 3.132 4.604 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 781 1.533 5.079 9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 781 2.223 3.508 9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 2.014 5.161 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 3.507 4.372 11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 3.332 5.977 10.919 1.00 0.00 H new ATOM 1052 N THR A 782 5.637 0.652 5.737 1.00 0.00 N ATOM 1053 CA THR A 782 6.102 -0.655 5.327 1.00 0.00 C ATOM 1054 C THR A 782 7.156 -1.153 6.302 1.00 0.00 C ATOM 1055 O THR A 782 7.968 -0.360 6.795 1.00 0.00 O ATOM 1056 CB THR A 782 6.694 -0.638 3.915 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.912 0.108 3.893 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.701 -0.045 2.949 1.00 0.00 C ATOM 0 H THR A 782 6.040 1.432 5.218 1.00 0.00 H new ATOM 0 HA THR A 782 5.240 -1.322 5.324 1.00 0.00 H new ATOM 0 HB THR A 782 6.913 -1.663 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.666 -0.501 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.129 -0.036 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 782 4.791 -0.644 2.949 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.464 0.975 3.251 1.00 0.00 H new ATOM 1066 N PRO A 783 7.157 -2.467 6.574 1.00 0.00 N ATOM 1067 CA PRO A 783 8.078 -3.098 7.531 1.00 0.00 C ATOM 1068 C PRO A 783 9.546 -2.777 7.254 1.00 0.00 C ATOM 1069 O PRO A 783 9.921 -2.406 6.139 1.00 0.00 O ATOM 1070 CB PRO A 783 7.822 -4.592 7.333 1.00 0.00 C ATOM 1071 CG PRO A 783 6.435 -4.673 6.800 1.00 0.00 C ATOM 1072 CD PRO A 783 6.245 -3.448 5.961 1.00 0.00 C ATOM 0 HA PRO A 783 7.902 -2.741 8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.539 -5.027 6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 783 7.917 -5.137 8.272 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.297 -5.577 6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.707 -4.708 7.610 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.498 -3.633 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.211 -3.103 5.982 1.00 0.00 H new ATOM 1080 N VAL A 784 10.360 -2.921 8.293 1.00 0.00 N ATOM 1081 CA VAL A 784 11.784 -2.644 8.229 1.00 0.00 C ATOM 1082 C VAL A 784 12.488 -3.495 7.181 1.00 0.00 C ATOM 1083 O VAL A 784 12.507 -4.724 7.266 1.00 0.00 O ATOM 1084 CB VAL A 784 12.433 -2.870 9.607 1.00 0.00 C ATOM 1085 CG1 VAL A 784 13.949 -2.821 9.526 1.00 0.00 C ATOM 1086 CG2 VAL A 784 11.912 -1.844 10.589 1.00 0.00 C ATOM 0 H VAL A 784 10.044 -3.236 9.210 1.00 0.00 H new ATOM 0 HA VAL A 784 11.897 -1.600 7.937 1.00 0.00 H new ATOM 0 HB VAL A 784 12.163 -3.867 9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 784 14.372 -2.985 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 784 14.302 -3.598 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 784 14.262 -1.845 9.154 1.00 0.00 H new ATOM 0 HG21 VAL A 784 12.373 -2.006 11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 784 12.157 -0.843 10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 784 10.830 -1.942 10.678 1.00 0.00 H new ATOM 1096 N PHE A 785 13.073 -2.822 6.204 1.00 0.00 N ATOM 1097 CA PHE A 785 13.810 -3.493 5.146 1.00 0.00 C ATOM 1098 C PHE A 785 15.302 -3.459 5.451 1.00 0.00 C ATOM 1099 O PHE A 785 15.985 -2.476 5.164 1.00 0.00 O ATOM 1100 CB PHE A 785 13.555 -2.835 3.787 1.00 0.00 C ATOM 1101 CG PHE A 785 12.103 -2.719 3.414 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.266 -3.824 3.438 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.581 -1.497 3.024 1.00 0.00 C ATOM 1104 CE1 PHE A 785 9.935 -3.708 3.079 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.254 -1.378 2.668 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.431 -2.484 2.694 1.00 0.00 C ATOM 0 H PHE A 785 13.051 -1.806 6.122 1.00 0.00 H new ATOM 0 HA PHE A 785 13.464 -4.526 5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 785 13.997 -1.839 3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.070 -3.409 3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.657 -4.785 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.221 -0.627 2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.292 -4.575 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 785 9.859 -0.418 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.392 -2.391 2.413 1.00 0.00 H new ATOM 1116 N THR A 786 15.807 -4.538 6.022 1.00 0.00 N ATOM 1117 CA THR A 786 17.212 -4.624 6.397 1.00 0.00 C ATOM 1118 C THR A 786 18.069 -5.065 5.221 1.00 0.00 C ATOM 1119 O THR A 786 19.102 -5.716 5.381 1.00 0.00 O ATOM 1120 CB THR A 786 17.388 -5.577 7.578 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.782 -6.845 7.289 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.743 -4.966 8.800 1.00 0.00 C ATOM 0 H THR A 786 15.263 -5.373 6.238 1.00 0.00 H new ATOM 0 HA THR A 786 17.544 -3.630 6.697 1.00 0.00 H new ATOM 0 HB THR A 786 18.451 -5.736 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.903 -7.447 8.053 1.00 0.00 H new ATOM 0 HG21 THR A 786 16.863 -5.639 9.649 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.219 -4.011 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.682 -4.807 8.610 1.00 0.00 H new ATOM 1130 N THR A 787 17.629 -4.678 4.038 1.00 0.00 N ATOM 1131 CA THR A 787 18.324 -5.002 2.804 1.00 0.00 C ATOM 1132 C THR A 787 18.055 -3.949 1.739 1.00 0.00 C ATOM 1133 O THR A 787 16.918 -3.783 1.299 1.00 0.00 O ATOM 1134 CB THR A 787 17.916 -6.375 2.258 1.00 0.00 C ATOM 1135 OG1 THR A 787 18.154 -7.395 3.237 1.00 0.00 O ATOM 1136 CG2 THR A 787 18.689 -6.701 0.991 1.00 0.00 C ATOM 0 H THR A 787 16.779 -4.130 3.905 1.00 0.00 H new ATOM 0 HA THR A 787 19.387 -5.024 3.043 1.00 0.00 H new ATOM 0 HB THR A 787 16.852 -6.341 2.026 1.00 0.00 H new ATOM 0 HG1 THR A 787 17.887 -8.265 2.874 1.00 0.00 H new ATOM 0 HG21 THR A 787 18.384 -7.680 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 787 18.481 -5.945 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.757 -6.712 1.209 1.00 0.00 H new ATOM 1144 N GLY A 788 19.096 -3.202 1.379 1.00 0.00 N ATOM 1145 CA GLY A 788 19.017 -2.297 0.252 1.00 0.00 C ATOM 1146 C GLY A 788 18.504 -2.973 -1.005 1.00 0.00 C ATOM 1147 O GLY A 788 19.160 -3.852 -1.565 1.00 0.00 O ATOM 0 H GLY A 788 19.998 -3.210 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.361 -1.464 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.004 -1.878 0.058 1.00 0.00 H new ATOM 1151 N GLY A 789 17.334 -2.546 -1.436 1.00 0.00 N ATOM 1152 CA GLY A 789 16.695 -3.102 -2.606 1.00 0.00 C ATOM 1153 C GLY A 789 15.684 -2.128 -3.167 1.00 0.00 C ATOM 1154 O GLY A 789 15.661 -0.966 -2.769 1.00 0.00 O ATOM 0 H GLY A 789 16.801 -1.803 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.445 -3.334 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.202 -4.039 -2.348 1.00 0.00 H new ATOM 1158 N ASP A 790 14.839 -2.578 -4.071 1.00 0.00 N ATOM 1159 CA ASP A 790 13.861 -1.690 -4.675 1.00 0.00 C ATOM 1160 C ASP A 790 12.479 -2.298 -4.568 1.00 0.00 C ATOM 1161 O ASP A 790 12.250 -3.431 -5.002 1.00 0.00 O ATOM 1162 CB ASP A 790 14.197 -1.408 -6.141 1.00 0.00 C ATOM 1163 CG ASP A 790 15.567 -0.793 -6.324 1.00 0.00 C ATOM 1164 OD1 ASP A 790 15.747 0.392 -5.969 1.00 0.00 O ATOM 1165 OD2 ASP A 790 16.469 -1.490 -6.834 1.00 0.00 O ATOM 0 H ASP A 790 14.807 -3.542 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 790 13.884 -0.743 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 790 14.144 -2.339 -6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.445 -0.738 -6.558 1.00 0.00 H new ATOM 1170 N TYR A 791 11.566 -1.546 -3.984 1.00 0.00 N ATOM 1171 CA TYR A 791 10.218 -2.024 -3.755 1.00 0.00 C ATOM 1172 C TYR A 791 9.195 -1.143 -4.448 1.00 0.00 C ATOM 1173 O TYR A 791 9.407 0.055 -4.628 1.00 0.00 O ATOM 1174 CB TYR A 791 9.908 -2.057 -2.258 1.00 0.00 C ATOM 1175 CG TYR A 791 10.735 -3.045 -1.472 1.00 0.00 C ATOM 1176 CD1 TYR A 791 11.903 -2.652 -0.835 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.342 -4.370 -1.365 1.00 0.00 C ATOM 1178 CE1 TYR A 791 12.659 -3.556 -0.110 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.089 -5.277 -0.646 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.245 -4.869 -0.020 1.00 0.00 C ATOM 1181 OH TYR A 791 12.990 -5.779 0.699 1.00 0.00 O ATOM 0 H TYR A 791 11.736 -0.595 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 791 10.157 -3.031 -4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 791 10.065 -1.061 -1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.853 -2.296 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.227 -1.624 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.436 -4.696 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 791 13.566 -3.236 0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 791 10.768 -6.306 -0.574 1.00 0.00 H new ATOM 0 HH TYR A 791 12.558 -6.658 0.662 1.00 0.00 H new ATOM 1191 N ILE A 792 8.096 -1.751 -4.846 1.00 0.00 N ATOM 1192 CA ILE A 792 6.956 -1.033 -5.358 1.00 0.00 C ATOM 1193 C ILE A 792 5.723 -1.451 -4.588 1.00 0.00 C ATOM 1194 O ILE A 792 5.335 -2.617 -4.602 1.00 0.00 O ATOM 1195 CB ILE A 792 6.758 -1.295 -6.859 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.851 -0.588 -7.651 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.387 -0.817 -7.306 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.256 -1.312 -8.904 1.00 0.00 C ATOM 0 H ILE A 792 7.972 -2.763 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 792 7.129 0.036 -5.231 1.00 0.00 H new ATOM 0 HB ILE A 792 6.822 -2.367 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.506 0.412 -7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.727 -0.465 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.264 -1.010 -8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.616 -1.350 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.296 0.253 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.037 -0.748 -9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.632 -2.302 -8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.393 -1.411 -9.562 1.00 0.00 H new ATOM 1210 N LEU A 793 5.133 -0.512 -3.886 1.00 0.00 N ATOM 1211 CA LEU A 793 3.933 -0.794 -3.149 1.00 0.00 C ATOM 1212 C LEU A 793 2.734 -0.652 -4.075 1.00 0.00 C ATOM 1213 O LEU A 793 2.414 0.440 -4.544 1.00 0.00 O ATOM 1214 CB LEU A 793 3.808 0.119 -1.929 1.00 0.00 C ATOM 1215 CG LEU A 793 2.571 -0.115 -1.062 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.126 -1.546 -1.128 1.00 0.00 C ATOM 1217 CD2 LEU A 793 2.797 0.333 0.373 1.00 0.00 C ATOM 0 H LEU A 793 5.466 0.449 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 793 3.972 -1.817 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.695 -0.007 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.802 1.154 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 793 1.767 0.500 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.244 -1.682 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.882 -1.804 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.928 -2.193 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 793 1.895 0.150 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 793 3.628 -0.227 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 793 3.030 1.398 0.389 1.00 0.00 H new ATOM 1229 N SER A 794 2.095 -1.773 -4.328 1.00 0.00 N ATOM 1230 CA SER A 794 0.982 -1.849 -5.248 1.00 0.00 C ATOM 1231 C SER A 794 -0.231 -2.407 -4.514 1.00 0.00 C ATOM 1232 O SER A 794 -0.102 -2.972 -3.430 1.00 0.00 O ATOM 1233 CB SER A 794 1.350 -2.742 -6.438 1.00 0.00 C ATOM 1234 OG SER A 794 0.357 -2.694 -7.452 1.00 0.00 O ATOM 0 H SER A 794 2.336 -2.665 -3.897 1.00 0.00 H new ATOM 0 HA SER A 794 0.745 -0.855 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 794 2.308 -2.424 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 794 1.475 -3.770 -6.098 1.00 0.00 H new ATOM 0 HG SER A 794 0.622 -3.272 -8.197 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.398 -2.252 -5.104 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.639 -2.613 -4.444 1.00 0.00 C ATOM 1242 C LEU A 795 -3.067 -4.028 -4.821 1.00 0.00 C ATOM 1243 O LEU A 795 -3.046 -4.396 -5.997 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.716 -1.615 -4.840 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.288 -0.151 -4.792 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.436 0.738 -5.216 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.780 0.225 -3.405 1.00 0.00 C ATOM 0 H LEU A 795 -1.515 -1.876 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.489 -2.588 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -4.051 -1.847 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.574 -1.749 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.464 -0.005 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.122 1.781 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.735 0.485 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.280 0.589 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.482 1.273 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.572 0.069 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -1.922 -0.398 -3.150 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.461 -4.813 -3.818 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.831 -6.208 -4.041 1.00 0.00 C ATOM 1261 C VAL A 796 -5.330 -6.372 -4.214 1.00 0.00 C ATOM 1262 O VAL A 796 -5.789 -6.887 -5.231 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.355 -7.117 -2.884 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.919 -8.526 -3.019 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.850 -7.161 -2.877 1.00 0.00 C ATOM 0 H VAL A 796 -3.532 -4.507 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.332 -6.511 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.719 -6.703 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.566 -9.140 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.008 -8.485 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.587 -8.962 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.508 -7.801 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.493 -7.560 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.457 -6.154 -2.736 1.00 0.00 H new ATOM 1275 N SER A 797 -6.095 -5.910 -3.239 1.00 0.00 N ATOM 1276 CA SER A 797 -7.529 -6.131 -3.252 1.00 0.00 C ATOM 1277 C SER A 797 -8.191 -5.449 -2.062 1.00 0.00 C ATOM 1278 O SER A 797 -7.528 -5.130 -1.077 1.00 0.00 O ATOM 1279 CB SER A 797 -7.804 -7.635 -3.213 1.00 0.00 C ATOM 1280 OG SER A 797 -7.372 -8.205 -1.984 1.00 0.00 O ATOM 0 H SER A 797 -5.750 -5.384 -2.436 1.00 0.00 H new ATOM 0 HA SER A 797 -7.947 -5.703 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 797 -8.871 -7.816 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 797 -7.292 -8.123 -4.043 1.00 0.00 H new ATOM 0 HG SER A 797 -7.561 -9.167 -1.985 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.488 -5.223 -2.159 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.238 -4.624 -1.069 1.00 0.00 C ATOM 1288 C ILE A 798 -11.496 -5.450 -0.809 1.00 0.00 C ATOM 1289 O ILE A 798 -11.844 -6.302 -1.613 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.600 -3.158 -1.387 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -11.014 -2.410 -0.121 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.720 -3.120 -2.406 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.801 -0.913 -0.204 1.00 0.00 C ATOM 0 H ILE A 798 -10.046 -5.446 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.619 -4.620 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.720 -2.664 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -12.067 -2.608 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.449 -2.803 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -11.974 -2.084 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.398 -3.619 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.595 -3.630 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -11.117 -0.448 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.745 -0.705 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.388 -0.507 -1.028 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.165 -5.218 0.307 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.312 -6.035 0.683 1.00 0.00 C ATOM 1307 C LYS A 799 -14.457 -5.187 1.201 1.00 0.00 C ATOM 1308 O LYS A 799 -14.322 -4.504 2.215 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.884 -7.000 1.762 1.00 0.00 C ATOM 1310 CG LYS A 799 -13.962 -7.888 2.340 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.494 -8.413 3.687 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.028 -9.791 3.975 1.00 0.00 C ATOM 1313 NZ LYS A 799 -15.330 -9.760 4.693 1.00 0.00 N ATOM 0 H LYS A 799 -11.937 -4.475 0.968 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.661 -6.567 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.098 -7.637 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.442 -6.426 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -14.890 -7.329 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.171 -8.717 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.404 -8.435 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -13.814 -7.729 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -14.147 -10.334 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -13.301 -10.341 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -15.895 -10.591 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -15.161 -9.774 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -15.846 -8.894 4.439 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.568 -5.230 0.495 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.812 -4.638 0.979 1.00 0.00 C ATOM 1329 C ASP A 800 -17.341 -5.462 2.149 1.00 0.00 C ATOM 1330 O ASP A 800 -17.022 -6.648 2.266 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.851 -4.581 -0.147 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.213 -4.115 0.332 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -20.160 -4.929 0.314 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.340 -2.946 0.752 1.00 0.00 O ATOM 0 H ASP A 800 -15.641 -5.670 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.619 -3.619 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.496 -3.909 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -17.948 -5.569 -0.596 1.00 0.00 H new ATOM 1339 N SER A 801 -18.168 -4.834 2.992 1.00 0.00 N ATOM 1340 CA SER A 801 -18.601 -5.407 4.267 1.00 0.00 C ATOM 1341 C SER A 801 -19.414 -6.690 4.093 1.00 0.00 C ATOM 1342 O SER A 801 -19.709 -7.381 5.068 1.00 0.00 O ATOM 1343 CB SER A 801 -19.421 -4.377 5.043 1.00 0.00 C ATOM 1344 OG SER A 801 -20.518 -3.910 4.271 1.00 0.00 O ATOM 0 H SER A 801 -18.557 -3.909 2.806 1.00 0.00 H new ATOM 0 HA SER A 801 -17.701 -5.671 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 801 -19.787 -4.821 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 801 -18.785 -3.537 5.322 1.00 0.00 H new ATOM 0 HG SER A 801 -21.028 -3.254 4.790 1.00 0.00 H new ATOM 1350 N THR A 802 -19.770 -7.005 2.857 1.00 0.00 N ATOM 1351 CA THR A 802 -20.482 -8.235 2.554 1.00 0.00 C ATOM 1352 C THR A 802 -19.487 -9.356 2.283 1.00 0.00 C ATOM 1353 O THR A 802 -19.859 -10.506 2.039 1.00 0.00 O ATOM 1354 CB THR A 802 -21.392 -8.051 1.329 1.00 0.00 C ATOM 1355 OG1 THR A 802 -20.640 -7.477 0.250 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.567 -7.150 1.665 1.00 0.00 C ATOM 0 H THR A 802 -19.576 -6.421 2.044 1.00 0.00 H new ATOM 0 HA THR A 802 -21.100 -8.493 3.414 1.00 0.00 H new ATOM 0 HB THR A 802 -21.774 -9.027 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.656 -6.500 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.199 -7.033 0.785 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.148 -7.596 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.198 -6.174 1.980 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.215 -8.997 2.337 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.157 -9.923 2.029 1.00 0.00 C ATOM 1366 C GLY A 803 -16.902 -9.978 0.547 1.00 0.00 C ATOM 1367 O GLY A 803 -16.440 -10.988 0.020 1.00 0.00 O ATOM 0 H GLY A 803 -17.897 -8.063 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.246 -9.625 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.421 -10.916 2.393 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.208 -8.881 -0.122 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.041 -8.801 -1.559 1.00 0.00 C ATOM 1373 C CYS A 804 -15.689 -8.187 -1.877 1.00 0.00 C ATOM 1374 O CYS A 804 -15.467 -6.997 -1.650 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.171 -7.979 -2.186 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.147 -7.932 -3.993 1.00 0.00 S ATOM 0 H CYS A 804 -17.574 -8.032 0.309 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.083 -9.805 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.127 -8.388 -1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.115 -6.958 -1.807 1.00 0.00 H new ATOM 0 HG CYS A 804 -19.143 -7.215 -4.422 1.00 0.00 H new ATOM 1382 N VAL A 805 -14.783 -9.007 -2.378 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.433 -8.558 -2.659 1.00 0.00 C ATOM 1384 C VAL A 805 -13.355 -7.924 -4.044 1.00 0.00 C ATOM 1385 O VAL A 805 -13.654 -8.549 -5.064 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.409 -9.709 -2.523 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -12.809 -10.910 -3.362 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -11.011 -9.237 -2.893 1.00 0.00 C ATOM 0 H VAL A 805 -14.958 -9.987 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.175 -7.802 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.401 -10.021 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.068 -11.700 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -13.783 -11.274 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -12.864 -10.619 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.308 -10.064 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -11.007 -8.884 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -10.714 -8.424 -2.231 1.00 0.00 H new ATOM 1398 N VAL A 806 -12.973 -6.663 -4.049 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.867 -5.877 -5.256 1.00 0.00 C ATOM 1400 C VAL A 806 -11.408 -5.761 -5.679 1.00 0.00 C ATOM 1401 O VAL A 806 -10.521 -5.537 -4.850 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.493 -4.481 -5.038 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -13.057 -3.484 -6.097 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -15.005 -4.596 -5.024 1.00 0.00 C ATOM 0 H VAL A 806 -12.725 -6.151 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.415 -6.375 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 806 -13.140 -4.107 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.523 -2.518 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.973 -3.376 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.362 -3.841 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.443 -3.610 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.348 -5.001 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.312 -5.260 -4.216 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.174 -5.946 -6.967 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.828 -5.921 -7.499 1.00 0.00 C ATOM 1416 C GLY A 807 -9.263 -4.521 -7.543 1.00 0.00 C ATOM 1417 O GLY A 807 -9.873 -3.617 -8.114 1.00 0.00 O ATOM 0 H GLY A 807 -11.901 -6.115 -7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.184 -6.553 -6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.827 -6.344 -8.504 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.105 -4.330 -6.931 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.497 -3.018 -6.864 1.00 0.00 C ATOM 1423 C LEU A 808 -6.581 -2.750 -8.041 1.00 0.00 C ATOM 1424 O LEU A 808 -5.643 -3.505 -8.304 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.732 -2.864 -5.563 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.595 -2.938 -4.316 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -6.780 -2.603 -3.089 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -8.791 -2.025 -4.455 1.00 0.00 C ATOM 0 H LEU A 808 -7.570 -5.069 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.302 -2.284 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -5.970 -3.641 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.211 -1.907 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 808 -7.964 -3.957 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.414 -2.661 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -5.958 -3.312 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.379 -1.594 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.402 -2.087 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.451 -0.999 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.383 -2.330 -5.317 1.00 0.00 H new ATOM 1440 N SER A 809 -6.865 -1.675 -8.753 1.00 0.00 N ATOM 1441 CA SER A 809 -6.017 -1.237 -9.841 1.00 0.00 C ATOM 1442 C SER A 809 -5.941 0.288 -9.866 1.00 0.00 C ATOM 1443 O SER A 809 -6.715 0.954 -10.555 1.00 0.00 O ATOM 1444 CB SER A 809 -6.551 -1.771 -11.170 1.00 0.00 C ATOM 1445 OG SER A 809 -6.693 -3.183 -11.126 1.00 0.00 O ATOM 0 H SER A 809 -7.683 -1.087 -8.594 1.00 0.00 H new ATOM 0 HA SER A 809 -5.012 -1.630 -9.689 1.00 0.00 H new ATOM 0 HB2 SER A 809 -7.514 -1.311 -11.391 1.00 0.00 H new ATOM 0 HB3 SER A 809 -5.873 -1.494 -11.977 1.00 0.00 H new ATOM 0 HG SER A 809 -7.037 -3.504 -11.986 1.00 0.00 H new ATOM 1451 N GLN A 810 -5.009 0.828 -9.096 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.748 2.262 -9.078 1.00 0.00 C ATOM 1453 C GLN A 810 -3.249 2.526 -8.886 1.00 0.00 C ATOM 1454 O GLN A 810 -2.490 1.574 -8.687 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.591 2.948 -8.001 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.848 3.589 -8.570 1.00 0.00 C ATOM 1457 CD GLN A 810 -7.582 4.441 -7.562 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -7.342 5.642 -7.448 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -8.476 3.818 -6.823 1.00 0.00 N ATOM 0 H GLN A 810 -4.414 0.288 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 810 -5.038 2.689 -10.038 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.871 2.217 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -4.991 3.710 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.579 4.203 -9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.516 2.808 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -8.640 2.820 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -9.004 4.333 -6.119 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.793 3.802 -8.975 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.367 4.157 -8.861 1.00 0.00 C ATOM 1470 C PRO A 811 -0.625 3.467 -7.712 1.00 0.00 C ATOM 1471 O PRO A 811 -1.149 3.299 -6.609 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.407 5.662 -8.628 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.615 6.116 -9.366 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.619 5.002 -9.247 1.00 0.00 C ATOM 0 HA PRO A 811 -0.820 3.838 -9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.477 5.898 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.506 6.147 -9.004 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.006 7.041 -8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.380 6.319 -10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.329 5.189 -8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.199 4.888 -10.163 1.00 0.00 H new ATOM 1482 N ASP A 812 0.611 3.083 -8.003 1.00 0.00 N ATOM 1483 CA ASP A 812 1.489 2.415 -7.047 1.00 0.00 C ATOM 1484 C ASP A 812 2.611 3.347 -6.616 1.00 0.00 C ATOM 1485 O ASP A 812 2.824 4.405 -7.218 1.00 0.00 O ATOM 1486 CB ASP A 812 2.087 1.148 -7.655 1.00 0.00 C ATOM 1487 CG ASP A 812 2.738 1.397 -9.001 1.00 0.00 C ATOM 1488 OD1 ASP A 812 2.009 1.473 -10.011 1.00 0.00 O ATOM 1489 OD2 ASP A 812 3.981 1.515 -9.061 1.00 0.00 O ATOM 0 H ASP A 812 1.038 3.227 -8.918 1.00 0.00 H new ATOM 0 HA ASP A 812 0.892 2.143 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.826 0.735 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.303 0.399 -7.768 1.00 0.00 H new ATOM 1494 N ALA A 813 3.316 2.960 -5.565 1.00 0.00 N ATOM 1495 CA ALA A 813 4.414 3.767 -5.042 1.00 0.00 C ATOM 1496 C ALA A 813 5.734 3.026 -5.172 1.00 0.00 C ATOM 1497 O ALA A 813 5.756 1.803 -5.245 1.00 0.00 O ATOM 1498 CB ALA A 813 4.172 4.129 -3.589 1.00 0.00 C ATOM 0 H ALA A 813 3.150 2.092 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 813 4.463 4.684 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.003 4.730 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.247 4.699 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.092 3.218 -2.996 1.00 0.00 H new ATOM 1504 N LYS A 814 6.829 3.763 -5.193 1.00 0.00 N ATOM 1505 CA LYS A 814 8.148 3.156 -5.263 1.00 0.00 C ATOM 1506 C LYS A 814 8.971 3.513 -4.041 1.00 0.00 C ATOM 1507 O LYS A 814 9.142 4.680 -3.712 1.00 0.00 O ATOM 1508 CB LYS A 814 8.880 3.577 -6.537 1.00 0.00 C ATOM 1509 CG LYS A 814 8.451 2.794 -7.765 1.00 0.00 C ATOM 1510 CD LYS A 814 9.032 3.392 -9.039 1.00 0.00 C ATOM 1511 CE LYS A 814 8.657 2.580 -10.271 1.00 0.00 C ATOM 1512 NZ LYS A 814 7.198 2.637 -10.559 1.00 0.00 N ATOM 0 H LYS A 814 6.833 4.783 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 814 8.015 2.074 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.706 4.639 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.952 3.449 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 814 8.774 1.757 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 814 7.363 2.784 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 814 8.674 4.415 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 814 10.118 3.442 -8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 814 9.211 2.953 -11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 814 8.957 1.542 -10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 7.001 2.141 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 6.673 2.180 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 6.899 3.630 -10.641 1.00 0.00 H new ATOM 1526 N ILE A 815 9.459 2.491 -3.374 1.00 0.00 N ATOM 1527 CA ILE A 815 10.305 2.650 -2.203 1.00 0.00 C ATOM 1528 C ILE A 815 11.707 2.149 -2.535 1.00 0.00 C ATOM 1529 O ILE A 815 11.898 0.976 -2.854 1.00 0.00 O ATOM 1530 CB ILE A 815 9.764 1.865 -0.981 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.347 2.320 -0.609 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.695 2.025 0.211 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.244 1.552 -1.311 1.00 0.00 C ATOM 0 H ILE A 815 9.281 1.519 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 815 10.318 3.708 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 815 9.721 0.811 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.216 2.219 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.244 3.379 -0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.299 1.467 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.683 1.643 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.771 3.080 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.274 1.935 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.346 1.673 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.318 0.495 -1.056 1.00 0.00 H new ATOM 1545 N GLN A 816 12.675 3.039 -2.483 1.00 0.00 N ATOM 1546 CA GLN A 816 14.042 2.705 -2.833 1.00 0.00 C ATOM 1547 C GLN A 816 14.885 2.551 -1.573 1.00 0.00 C ATOM 1548 O GLN A 816 15.124 3.520 -0.858 1.00 0.00 O ATOM 1549 CB GLN A 816 14.627 3.795 -3.730 1.00 0.00 C ATOM 1550 CG GLN A 816 16.031 3.489 -4.218 1.00 0.00 C ATOM 1551 CD GLN A 816 17.082 4.347 -3.547 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.414 5.426 -4.030 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.610 3.881 -2.427 1.00 0.00 N ATOM 0 H GLN A 816 12.540 4.009 -2.199 1.00 0.00 H new ATOM 0 HA GLN A 816 14.049 1.759 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.974 3.935 -4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.639 4.737 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 816 16.254 2.438 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 816 16.078 3.641 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.308 2.980 -2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.319 4.423 -1.933 1.00 0.00 H new ATOM 1562 N VAL A 817 15.338 1.340 -1.311 1.00 0.00 N ATOM 1563 CA VAL A 817 16.150 1.063 -0.136 1.00 0.00 C ATOM 1564 C VAL A 817 17.605 0.854 -0.554 1.00 0.00 C ATOM 1565 O VAL A 817 17.876 0.207 -1.561 1.00 0.00 O ATOM 1566 CB VAL A 817 15.629 -0.188 0.609 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.404 -0.437 1.893 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.145 -0.042 0.901 1.00 0.00 C ATOM 0 H VAL A 817 15.157 0.526 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 817 16.086 1.915 0.540 1.00 0.00 H new ATOM 0 HB VAL A 817 15.781 -1.052 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.010 -1.324 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.457 -0.590 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.301 0.424 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 817 13.788 -0.928 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 817 13.981 0.838 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.599 0.069 -0.036 1.00 0.00 H new ATOM 1578 N ARG A 818 18.534 1.421 0.197 1.00 0.00 N ATOM 1579 CA ARG A 818 19.951 1.310 -0.134 1.00 0.00 C ATOM 1580 C ARG A 818 20.779 1.325 1.142 1.00 0.00 C ATOM 1581 O ARG A 818 20.475 2.070 2.066 1.00 0.00 O ATOM 1582 CB ARG A 818 20.358 2.486 -1.033 1.00 0.00 C ATOM 1583 CG ARG A 818 21.730 2.356 -1.673 1.00 0.00 C ATOM 1584 CD ARG A 818 21.694 1.429 -2.873 1.00 0.00 C ATOM 1585 NE ARG A 818 22.986 1.362 -3.557 1.00 0.00 N ATOM 1586 CZ ARG A 818 23.276 0.480 -4.515 1.00 0.00 C ATOM 1587 NH1 ARG A 818 22.385 -0.439 -4.871 1.00 0.00 N ATOM 1588 NH2 ARG A 818 24.460 0.514 -5.109 1.00 0.00 N ATOM 0 H ARG A 818 18.337 1.962 1.039 1.00 0.00 H new ATOM 0 HA ARG A 818 20.129 0.373 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 818 19.614 2.596 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.334 3.402 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 818 22.084 3.340 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.441 1.977 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.403 0.429 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.932 1.772 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 818 23.708 2.029 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 818 21.475 -0.472 -4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 818 22.611 -1.111 -5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 818 25.149 1.214 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 818 24.683 -0.160 -5.842 1.00 0.00 H new