USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 788 HIS : no HE2:sc= -5.22! C(o=-6.1!,f=-6.1!) USER MOD Set 1.2: A 789 ASN : amide:sc= -0.922 K(o=-6.1,f=-8.7!) USER MOD Set 1.3: A 791 MET CE :methyl -124:sc= 0 (180deg=-0.0496) USER MOD Single : A 740 SER OG : rot -58:sc= 0.0553 USER MOD Single : A 741 SER OG : rot 180:sc= -0.155 USER MOD Single : A 743 SER OG : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 754 CYS SG : rot -97:sc= 0.304 USER MOD Single : A 757 TYR OH : rot 180:sc= -0.0829 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot -75:sc= -0.0334 USER MOD Single : A 763 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 766 SER OG : rot 19:sc= 0.264 USER MOD Single : A 776 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-1.3) USER MOD Single : A 780 SER OG : rot 180:sc= 0.00564 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 797 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-2.9!) USER MOD Single : A 798 LYS NZ :NH3+ -166:sc=-0.00265 (180deg=-0.124) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 THR OG1 : rot 180:sc= 0 USER MOD Single : A 808 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0686) USER MOD Single : A 809 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -25.912 12.431 -1.014 1.00 0.00 N ATOM 2 CA GLY A 739 -25.103 11.268 -1.328 1.00 0.00 C ATOM 3 C GLY A 739 -23.861 11.175 -0.463 1.00 0.00 C ATOM 4 O GLY A 739 -23.850 11.652 0.672 1.00 0.00 O ATOM 0 HA2 GLY A 739 -25.702 10.367 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -24.809 11.306 -2.377 1.00 0.00 H new ATOM 8 N SER A 740 -22.813 10.560 -1.000 1.00 0.00 N ATOM 9 CA SER A 740 -21.562 10.401 -0.267 1.00 0.00 C ATOM 10 C SER A 740 -21.718 9.388 0.863 1.00 0.00 C ATOM 11 O SER A 740 -21.240 9.604 1.976 1.00 0.00 O ATOM 12 CB SER A 740 -21.104 11.747 0.299 1.00 0.00 C ATOM 13 OG SER A 740 -19.731 11.712 0.650 1.00 0.00 O ATOM 0 H SER A 740 -22.805 10.164 -1.940 1.00 0.00 H new ATOM 0 HA SER A 740 -20.808 10.030 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 740 -21.274 12.532 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 740 -21.701 11.998 1.176 1.00 0.00 H new ATOM 0 HG SER A 740 -19.578 10.996 1.301 1.00 0.00 H new ATOM 19 N SER A 741 -22.393 8.281 0.567 1.00 0.00 N ATOM 20 CA SER A 741 -22.617 7.235 1.558 1.00 0.00 C ATOM 21 C SER A 741 -21.405 6.314 1.660 1.00 0.00 C ATOM 22 O SER A 741 -20.894 6.059 2.750 1.00 0.00 O ATOM 23 CB SER A 741 -23.861 6.421 1.199 1.00 0.00 C ATOM 24 OG SER A 741 -23.703 5.773 -0.051 1.00 0.00 O ATOM 0 H SER A 741 -22.794 8.086 -0.350 1.00 0.00 H new ATOM 0 HA SER A 741 -22.771 7.713 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 741 -24.051 5.680 1.975 1.00 0.00 H new ATOM 0 HB3 SER A 741 -24.731 7.077 1.165 1.00 0.00 H new ATOM 0 HG SER A 741 -24.511 5.258 -0.257 1.00 0.00 H new ATOM 30 N GLY A 742 -20.949 5.818 0.514 1.00 0.00 N ATOM 31 CA GLY A 742 -19.801 4.930 0.494 1.00 0.00 C ATOM 32 C GLY A 742 -20.067 3.622 1.211 1.00 0.00 C ATOM 33 O GLY A 742 -20.963 3.537 2.051 1.00 0.00 O ATOM 0 H GLY A 742 -21.354 6.015 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -19.523 4.724 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -18.951 5.429 0.959 1.00 0.00 H new ATOM 37 N SER A 743 -19.288 2.597 0.879 1.00 0.00 N ATOM 38 CA SER A 743 -19.448 1.284 1.493 1.00 0.00 C ATOM 39 C SER A 743 -18.120 0.779 2.049 1.00 0.00 C ATOM 40 O SER A 743 -17.251 0.333 1.300 1.00 0.00 O ATOM 41 CB SER A 743 -20.000 0.285 0.474 1.00 0.00 C ATOM 42 OG SER A 743 -21.413 0.368 0.393 1.00 0.00 O ATOM 0 H SER A 743 -18.540 2.651 0.188 1.00 0.00 H new ATOM 0 HA SER A 743 -20.155 1.379 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 743 -19.564 0.481 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 743 -19.707 -0.726 0.756 1.00 0.00 H new ATOM 0 HG SER A 743 -21.741 -0.279 -0.266 1.00 0.00 H new ATOM 48 N SER A 744 -17.971 0.854 3.368 1.00 0.00 N ATOM 49 CA SER A 744 -16.748 0.408 4.025 1.00 0.00 C ATOM 50 C SER A 744 -16.653 -1.114 4.021 1.00 0.00 C ATOM 51 O SER A 744 -17.083 -1.777 4.963 1.00 0.00 O ATOM 52 CB SER A 744 -16.698 0.929 5.463 1.00 0.00 C ATOM 53 OG SER A 744 -15.386 0.846 5.990 1.00 0.00 O ATOM 0 H SER A 744 -18.682 1.219 4.002 1.00 0.00 H new ATOM 0 HA SER A 744 -15.900 0.809 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 744 -17.039 1.964 5.490 1.00 0.00 H new ATOM 0 HB3 SER A 744 -17.381 0.352 6.086 1.00 0.00 H new ATOM 0 HG SER A 744 -15.380 1.186 6.909 1.00 0.00 H new ATOM 59 N GLY A 745 -16.085 -1.662 2.950 1.00 0.00 N ATOM 60 CA GLY A 745 -15.943 -3.102 2.841 1.00 0.00 C ATOM 61 C GLY A 745 -14.979 -3.508 1.744 1.00 0.00 C ATOM 62 O GLY A 745 -13.876 -3.978 2.021 1.00 0.00 O ATOM 0 H GLY A 745 -15.721 -1.134 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -15.595 -3.503 3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -16.919 -3.547 2.646 1.00 0.00 H new ATOM 66 N GLU A 746 -15.397 -3.328 0.495 1.00 0.00 N ATOM 67 CA GLU A 746 -14.562 -3.681 -0.648 1.00 0.00 C ATOM 68 C GLU A 746 -14.169 -2.438 -1.440 1.00 0.00 C ATOM 69 O GLU A 746 -14.979 -1.876 -2.176 1.00 0.00 O ATOM 70 CB GLU A 746 -15.297 -4.668 -1.557 1.00 0.00 C ATOM 71 CG GLU A 746 -15.110 -6.122 -1.155 1.00 0.00 C ATOM 72 CD GLU A 746 -13.665 -6.573 -1.252 1.00 0.00 C ATOM 73 OE1 GLU A 746 -12.909 -5.973 -2.045 1.00 0.00 O ATOM 74 OE2 GLU A 746 -13.291 -7.524 -0.535 1.00 0.00 O ATOM 0 H GLU A 746 -16.308 -2.940 0.249 1.00 0.00 H new ATOM 0 HA GLU A 746 -13.654 -4.151 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -16.361 -4.432 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -14.948 -4.535 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -15.462 -6.261 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -15.728 -6.754 -1.793 1.00 0.00 H new ATOM 81 N GLY A 747 -12.919 -2.014 -1.282 1.00 0.00 N ATOM 82 CA GLY A 747 -12.439 -0.840 -1.988 1.00 0.00 C ATOM 83 C GLY A 747 -10.984 -0.962 -2.394 1.00 0.00 C ATOM 84 O GLY A 747 -10.165 -1.492 -1.644 1.00 0.00 O ATOM 0 H GLY A 747 -12.230 -2.462 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.049 -0.680 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -12.564 0.038 -1.354 1.00 0.00 H new ATOM 88 N VAL A 748 -10.661 -0.470 -3.586 1.00 0.00 N ATOM 89 CA VAL A 748 -9.294 -0.527 -4.092 1.00 0.00 C ATOM 90 C VAL A 748 -8.990 0.668 -4.989 1.00 0.00 C ATOM 91 O VAL A 748 -9.757 0.987 -5.898 1.00 0.00 O ATOM 92 CB VAL A 748 -9.041 -1.825 -4.881 1.00 0.00 C ATOM 93 CG1 VAL A 748 -7.608 -1.871 -5.389 1.00 0.00 C ATOM 94 CG2 VAL A 748 -9.350 -3.041 -4.020 1.00 0.00 C ATOM 0 H VAL A 748 -11.327 -0.028 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 748 -8.634 -0.504 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 748 -9.707 -1.841 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -7.448 -2.795 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -7.427 -1.019 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -6.921 -1.832 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -9.166 -3.949 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -8.711 -3.033 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -10.395 -3.012 -3.712 1.00 0.00 H new ATOM 104 N VAL A 749 -7.865 1.326 -4.727 1.00 0.00 N ATOM 105 CA VAL A 749 -7.458 2.485 -5.512 1.00 0.00 C ATOM 106 C VAL A 749 -6.152 2.217 -6.251 1.00 0.00 C ATOM 107 O VAL A 749 -5.133 1.904 -5.636 1.00 0.00 O ATOM 108 CB VAL A 749 -7.286 3.732 -4.623 1.00 0.00 C ATOM 109 CG1 VAL A 749 -6.816 4.918 -5.452 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.586 4.056 -3.903 1.00 0.00 C ATOM 0 H VAL A 749 -7.220 1.076 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.250 2.671 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.525 3.520 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.700 5.789 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -5.859 4.681 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.552 5.135 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.446 4.939 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.369 4.249 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -8.875 3.212 -3.277 1.00 0.00 H new ATOM 120 N GLU A 750 -6.190 2.343 -7.573 1.00 0.00 N ATOM 121 CA GLU A 750 -5.008 2.114 -8.396 1.00 0.00 C ATOM 122 C GLU A 750 -4.160 3.379 -8.495 1.00 0.00 C ATOM 123 O GLU A 750 -4.619 4.409 -8.988 1.00 0.00 O ATOM 124 CB GLU A 750 -5.416 1.650 -9.796 1.00 0.00 C ATOM 125 CG GLU A 750 -5.738 0.167 -9.875 1.00 0.00 C ATOM 126 CD GLU A 750 -6.658 -0.169 -11.032 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.851 0.194 -10.967 1.00 0.00 O ATOM 128 OE2 GLU A 750 -6.185 -0.795 -12.004 1.00 0.00 O ATOM 0 H GLU A 750 -7.026 2.602 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.412 1.334 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.287 2.220 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.610 1.876 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.811 -0.397 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.203 -0.150 -8.942 1.00 0.00 H new ATOM 135 N ALA A 751 -2.921 3.293 -8.022 1.00 0.00 N ATOM 136 CA ALA A 751 -2.009 4.429 -8.059 1.00 0.00 C ATOM 137 C ALA A 751 -0.785 4.123 -8.916 1.00 0.00 C ATOM 138 O ALA A 751 -0.370 2.970 -9.035 1.00 0.00 O ATOM 139 CB ALA A 751 -1.585 4.810 -6.648 1.00 0.00 C ATOM 0 H ALA A 751 -2.526 2.448 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.534 5.271 -8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.904 5.660 -6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.465 5.079 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.082 3.965 -6.178 1.00 0.00 H new ATOM 145 N VAL A 752 -0.212 5.163 -9.513 1.00 0.00 N ATOM 146 CA VAL A 752 0.965 5.005 -10.360 1.00 0.00 C ATOM 147 C VAL A 752 2.228 5.457 -9.635 1.00 0.00 C ATOM 148 O VAL A 752 2.245 6.507 -8.993 1.00 0.00 O ATOM 149 CB VAL A 752 0.824 5.803 -11.670 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.076 5.657 -12.521 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.409 5.353 -12.438 1.00 0.00 C ATOM 0 H VAL A 752 -0.543 6.124 -9.426 1.00 0.00 H new ATOM 0 HA VAL A 752 1.046 3.944 -10.596 1.00 0.00 H new ATOM 0 HB VAL A 752 0.704 6.858 -11.422 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.958 6.227 -13.442 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.937 6.033 -11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.231 4.605 -12.763 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.493 5.927 -13.361 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.322 4.293 -12.677 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.297 5.515 -11.828 1.00 0.00 H new ATOM 161 N ALA A 753 3.283 4.657 -9.744 1.00 0.00 N ATOM 162 CA ALA A 753 4.552 4.976 -9.101 1.00 0.00 C ATOM 163 C ALA A 753 5.241 6.145 -9.795 1.00 0.00 C ATOM 164 O ALA A 753 5.849 5.980 -10.854 1.00 0.00 O ATOM 165 CB ALA A 753 5.461 3.755 -9.092 1.00 0.00 C ATOM 0 H ALA A 753 3.284 3.784 -10.271 1.00 0.00 H new ATOM 0 HA ALA A 753 4.345 5.269 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.405 4.008 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.978 2.946 -8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.652 3.436 -10.117 1.00 0.00 H new ATOM 171 N CYS A 754 5.142 7.326 -9.194 1.00 0.00 N ATOM 172 CA CYS A 754 5.755 8.524 -9.757 1.00 0.00 C ATOM 173 C CYS A 754 7.253 8.323 -9.961 1.00 0.00 C ATOM 174 O CYS A 754 7.835 8.839 -10.916 1.00 0.00 O ATOM 175 CB CYS A 754 5.509 9.725 -8.842 1.00 0.00 C ATOM 176 SG CYS A 754 5.440 11.310 -9.709 1.00 0.00 S ATOM 0 H CYS A 754 4.643 7.479 -8.318 1.00 0.00 H new ATOM 0 HA CYS A 754 5.297 8.716 -10.727 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.572 9.575 -8.307 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.300 9.766 -8.094 1.00 0.00 H new ATOM 0 HG CYS A 754 6.601 11.891 -9.644 1.00 0.00 H new ATOM 182 N PHE A 755 7.873 7.572 -9.057 1.00 0.00 N ATOM 183 CA PHE A 755 9.305 7.306 -9.136 1.00 0.00 C ATOM 184 C PHE A 755 9.633 5.925 -8.574 1.00 0.00 C ATOM 185 O PHE A 755 8.911 5.400 -7.728 1.00 0.00 O ATOM 186 CB PHE A 755 10.088 8.378 -8.375 1.00 0.00 C ATOM 187 CG PHE A 755 9.722 9.780 -8.769 1.00 0.00 C ATOM 188 CD1 PHE A 755 9.997 10.249 -10.044 1.00 0.00 C ATOM 189 CD2 PHE A 755 9.103 10.629 -7.866 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.662 11.540 -10.409 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.766 11.920 -8.226 1.00 0.00 C ATOM 192 CZ PHE A 755 9.045 12.376 -9.499 1.00 0.00 C ATOM 0 H PHE A 755 7.407 7.137 -8.261 1.00 0.00 H new ATOM 0 HA PHE A 755 9.596 7.331 -10.186 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.915 8.253 -7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.154 8.228 -8.545 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.478 9.599 -10.760 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.881 10.278 -6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 755 9.883 11.894 -11.405 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.285 12.572 -7.512 1.00 0.00 H new ATOM 0 HZ PHE A 755 8.781 13.384 -9.783 1.00 0.00 H new ATOM 202 N ALA A 756 10.728 5.344 -9.053 1.00 0.00 N ATOM 203 CA ALA A 756 11.153 4.026 -8.598 1.00 0.00 C ATOM 204 C ALA A 756 11.482 4.038 -7.109 1.00 0.00 C ATOM 205 O ALA A 756 12.304 4.832 -6.652 1.00 0.00 O ATOM 206 CB ALA A 756 12.356 3.553 -9.402 1.00 0.00 C ATOM 0 H ALA A 756 11.336 5.765 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 756 10.328 3.331 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.663 2.567 -9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.089 3.496 -10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.179 4.256 -9.273 1.00 0.00 H new ATOM 212 N TYR A 757 10.835 3.154 -6.358 1.00 0.00 N ATOM 213 CA TYR A 757 11.056 3.066 -4.920 1.00 0.00 C ATOM 214 C TYR A 757 11.520 1.667 -4.524 1.00 0.00 C ATOM 215 O TYR A 757 11.300 0.698 -5.252 1.00 0.00 O ATOM 216 CB TYR A 757 9.776 3.424 -4.162 1.00 0.00 C ATOM 217 CG TYR A 757 9.986 3.623 -2.678 1.00 0.00 C ATOM 218 CD1 TYR A 757 9.953 2.546 -1.801 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.220 4.889 -2.154 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.143 2.724 -0.445 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.413 5.075 -0.798 1.00 0.00 C ATOM 222 CZ TYR A 757 10.373 3.990 0.052 1.00 0.00 C ATOM 223 OH TYR A 757 10.565 4.171 1.403 1.00 0.00 O ATOM 0 H TYR A 757 10.153 2.488 -6.721 1.00 0.00 H new ATOM 0 HA TYR A 757 11.838 3.777 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.356 4.336 -4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.041 2.634 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 757 9.776 1.553 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.252 5.741 -2.817 1.00 0.00 H new ATOM 0 HE1 TYR A 757 10.112 1.876 0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.594 6.065 -0.406 1.00 0.00 H new ATOM 0 HH TYR A 757 10.715 5.122 1.588 1.00 0.00 H new ATOM 233 N THR A 758 12.163 1.570 -3.365 1.00 0.00 N ATOM 234 CA THR A 758 12.659 0.291 -2.872 1.00 0.00 C ATOM 235 C THR A 758 12.425 0.153 -1.372 1.00 0.00 C ATOM 236 O THR A 758 13.112 0.780 -0.566 1.00 0.00 O ATOM 237 CB THR A 758 14.162 0.121 -3.163 1.00 0.00 C ATOM 238 OG1 THR A 758 14.388 0.110 -4.577 1.00 0.00 O ATOM 239 CG2 THR A 758 14.689 -1.168 -2.550 1.00 0.00 C ATOM 0 H THR A 758 12.353 2.362 -2.750 1.00 0.00 H new ATOM 0 HA THR A 758 12.105 -0.487 -3.397 1.00 0.00 H new ATOM 0 HB THR A 758 14.694 0.961 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.346 0.003 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 758 15.752 -1.267 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 758 14.541 -1.145 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.152 -2.018 -2.971 1.00 0.00 H new ATOM 247 N GLY A 759 11.451 -0.674 -1.003 1.00 0.00 N ATOM 248 CA GLY A 759 11.145 -0.880 0.401 1.00 0.00 C ATOM 249 C GLY A 759 12.383 -1.159 1.229 1.00 0.00 C ATOM 250 O GLY A 759 13.164 -2.055 0.908 1.00 0.00 O ATOM 0 H GLY A 759 10.869 -1.205 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.641 0.003 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.450 -1.714 0.500 1.00 0.00 H new ATOM 254 N ARG A 760 12.564 -0.390 2.298 1.00 0.00 N ATOM 255 CA ARG A 760 13.717 -0.557 3.173 1.00 0.00 C ATOM 256 C ARG A 760 13.675 -1.911 3.876 1.00 0.00 C ATOM 257 O ARG A 760 14.698 -2.582 4.017 1.00 0.00 O ATOM 258 CB ARG A 760 13.764 0.566 4.211 1.00 0.00 C ATOM 259 CG ARG A 760 13.905 1.952 3.602 1.00 0.00 C ATOM 260 CD ARG A 760 14.226 2.995 4.661 1.00 0.00 C ATOM 261 NE ARG A 760 14.707 4.242 4.072 1.00 0.00 N ATOM 262 CZ ARG A 760 15.911 4.382 3.528 1.00 0.00 C ATOM 263 NH1 ARG A 760 16.751 3.357 3.498 1.00 0.00 N ATOM 264 NH2 ARG A 760 16.276 5.549 3.012 1.00 0.00 N ATOM 0 H ARG A 760 11.926 0.355 2.579 1.00 0.00 H new ATOM 0 HA ARG A 760 14.616 -0.513 2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 760 12.855 0.533 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.600 0.389 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 760 14.693 1.942 2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 760 12.981 2.222 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 760 13.334 3.195 5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 760 14.981 2.601 5.341 1.00 0.00 H new ATOM 0 HE ARG A 760 14.084 5.050 4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 760 16.474 2.458 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 760 17.675 3.467 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 760 15.632 6.340 3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 760 17.201 5.655 2.595 1.00 0.00 H new ATOM 278 N THR A 761 12.485 -2.307 4.316 1.00 0.00 N ATOM 279 CA THR A 761 12.309 -3.579 5.005 1.00 0.00 C ATOM 280 C THR A 761 11.133 -4.359 4.428 1.00 0.00 C ATOM 281 O THR A 761 10.393 -3.851 3.586 1.00 0.00 O ATOM 282 CB THR A 761 12.083 -3.374 6.515 1.00 0.00 C ATOM 283 OG1 THR A 761 10.880 -2.628 6.733 1.00 0.00 O ATOM 284 CG2 THR A 761 13.260 -2.643 7.143 1.00 0.00 C ATOM 0 H THR A 761 11.628 -1.764 4.207 1.00 0.00 H new ATOM 0 HA THR A 761 13.227 -4.148 4.857 1.00 0.00 H new ATOM 0 HB THR A 761 11.992 -4.354 6.984 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.037 -1.684 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.078 -2.509 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.169 -3.227 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.377 -1.668 6.670 1.00 0.00 H new ATOM 292 N ALA A 762 10.966 -5.595 4.887 1.00 0.00 N ATOM 293 CA ALA A 762 9.878 -6.444 4.418 1.00 0.00 C ATOM 294 C ALA A 762 8.549 -5.697 4.445 1.00 0.00 C ATOM 295 O ALA A 762 7.728 -5.841 3.539 1.00 0.00 O ATOM 296 CB ALA A 762 9.793 -7.707 5.262 1.00 0.00 C ATOM 0 H ALA A 762 11.571 -6.031 5.583 1.00 0.00 H new ATOM 0 HA ALA A 762 10.087 -6.724 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.976 -8.332 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.731 -8.258 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.611 -7.438 6.302 1.00 0.00 H new ATOM 302 N GLN A 763 8.343 -4.901 5.489 1.00 0.00 N ATOM 303 CA GLN A 763 7.112 -4.133 5.633 1.00 0.00 C ATOM 304 C GLN A 763 6.864 -3.267 4.402 1.00 0.00 C ATOM 305 O GLN A 763 5.760 -3.248 3.858 1.00 0.00 O ATOM 306 CB GLN A 763 7.177 -3.255 6.884 1.00 0.00 C ATOM 307 CG GLN A 763 6.706 -3.959 8.146 1.00 0.00 C ATOM 308 CD GLN A 763 6.421 -2.995 9.281 1.00 0.00 C ATOM 309 OE1 GLN A 763 5.298 -2.515 9.436 1.00 0.00 O ATOM 310 NE2 GLN A 763 7.440 -2.706 10.082 1.00 0.00 N ATOM 0 H GLN A 763 9.012 -4.771 6.247 1.00 0.00 H new ATOM 0 HA GLN A 763 6.285 -4.836 5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.203 -2.917 7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.568 -2.365 6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 763 5.804 -4.530 7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.465 -4.674 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 763 8.354 -3.127 9.916 1.00 0.00 H new ATOM 0 HE22 GLN A 763 7.308 -2.063 10.863 1.00 0.00 H new ATOM 319 N GLU A 764 7.897 -2.551 3.970 1.00 0.00 N ATOM 320 CA GLU A 764 7.789 -1.682 2.804 1.00 0.00 C ATOM 321 C GLU A 764 7.807 -2.497 1.514 1.00 0.00 C ATOM 322 O GLU A 764 8.232 -3.654 1.503 1.00 0.00 O ATOM 323 CB GLU A 764 8.931 -0.663 2.792 1.00 0.00 C ATOM 324 CG GLU A 764 8.957 0.236 4.016 1.00 0.00 C ATOM 325 CD GLU A 764 9.612 -0.426 5.213 1.00 0.00 C ATOM 326 OE1 GLU A 764 10.849 -0.319 5.345 1.00 0.00 O ATOM 327 OE2 GLU A 764 8.888 -1.051 6.016 1.00 0.00 O ATOM 0 H GLU A 764 8.817 -2.555 4.409 1.00 0.00 H new ATOM 0 HA GLU A 764 6.839 -1.152 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.880 -1.194 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.845 -0.044 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.492 1.155 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.937 0.520 4.275 1.00 0.00 H new ATOM 334 N LEU A 765 7.342 -1.887 0.429 1.00 0.00 N ATOM 335 CA LEU A 765 7.304 -2.556 -0.867 1.00 0.00 C ATOM 336 C LEU A 765 8.265 -1.894 -1.849 1.00 0.00 C ATOM 337 O LEU A 765 8.830 -0.839 -1.565 1.00 0.00 O ATOM 338 CB LEU A 765 5.883 -2.533 -1.432 1.00 0.00 C ATOM 339 CG LEU A 765 4.902 -3.537 -0.824 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.484 -3.247 -1.291 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.304 -4.960 -1.185 1.00 0.00 C ATOM 0 H LEU A 765 6.986 -0.931 0.421 1.00 0.00 H new ATOM 0 HA LEU A 765 7.615 -3.591 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.476 -1.531 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 765 5.937 -2.713 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 765 4.933 -3.436 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.800 -3.971 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.198 -2.242 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.437 -3.320 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.595 -5.661 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.302 -5.075 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.303 -5.164 -0.801 1.00 0.00 H new ATOM 353 N SER A 766 8.443 -2.521 -3.008 1.00 0.00 N ATOM 354 CA SER A 766 9.337 -1.994 -4.032 1.00 0.00 C ATOM 355 C SER A 766 8.658 -1.995 -5.398 1.00 0.00 C ATOM 356 O SER A 766 7.785 -2.820 -5.670 1.00 0.00 O ATOM 357 CB SER A 766 10.624 -2.820 -4.090 1.00 0.00 C ATOM 358 OG SER A 766 11.566 -2.234 -4.971 1.00 0.00 O ATOM 0 H SER A 766 7.980 -3.394 -3.261 1.00 0.00 H new ATOM 0 HA SER A 766 9.585 -0.966 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.055 -2.899 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 766 10.395 -3.834 -4.419 1.00 0.00 H new ATOM 0 HG SER A 766 11.329 -1.296 -5.127 1.00 0.00 H new ATOM 364 N PHE A 767 9.064 -1.063 -6.255 1.00 0.00 N ATOM 365 CA PHE A 767 8.495 -0.954 -7.593 1.00 0.00 C ATOM 366 C PHE A 767 9.225 0.108 -8.410 1.00 0.00 C ATOM 367 O PHE A 767 9.841 1.018 -7.855 1.00 0.00 O ATOM 368 CB PHE A 767 7.005 -0.615 -7.510 1.00 0.00 C ATOM 369 CG PHE A 767 6.694 0.484 -6.534 1.00 0.00 C ATOM 370 CD1 PHE A 767 7.028 1.798 -6.820 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.067 0.202 -5.331 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.743 2.811 -5.924 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.779 1.211 -4.431 1.00 0.00 C ATOM 374 CZ PHE A 767 6.118 2.517 -4.728 1.00 0.00 C ATOM 0 H PHE A 767 9.785 -0.372 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 767 8.615 -1.916 -8.091 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.651 -0.323 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.452 -1.510 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.517 2.033 -7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.800 -0.817 -5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 767 7.009 3.831 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.290 0.979 -3.497 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.895 3.307 -4.026 1.00 0.00 H new ATOM 384 N ARG A 768 9.153 -0.017 -9.731 1.00 0.00 N ATOM 385 CA ARG A 768 9.808 0.930 -10.625 1.00 0.00 C ATOM 386 C ARG A 768 8.804 1.933 -11.184 1.00 0.00 C ATOM 387 O ARG A 768 7.671 1.578 -11.509 1.00 0.00 O ATOM 388 CB ARG A 768 10.497 0.188 -11.772 1.00 0.00 C ATOM 389 CG ARG A 768 11.898 -0.293 -11.432 1.00 0.00 C ATOM 390 CD ARG A 768 12.387 -1.332 -12.429 1.00 0.00 C ATOM 391 NE ARG A 768 13.663 -1.918 -12.027 1.00 0.00 N ATOM 392 CZ ARG A 768 14.838 -1.334 -12.236 1.00 0.00 C ATOM 393 NH1 ARG A 768 14.899 -0.155 -12.838 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.956 -1.931 -11.841 1.00 0.00 N ATOM 0 H ARG A 768 8.648 -0.765 -10.206 1.00 0.00 H new ATOM 0 HA ARG A 768 10.558 1.474 -10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.887 -0.669 -12.057 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.548 0.846 -12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.583 0.555 -11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.904 -0.719 -10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 768 11.641 -2.120 -12.526 1.00 0.00 H new ATOM 0 HD3 ARG A 768 12.493 -0.871 -13.411 1.00 0.00 H new ATOM 0 HE ARG A 768 13.651 -2.825 -11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 768 14.042 0.307 -13.143 1.00 0.00 H new ATOM 0 HH12 ARG A 768 15.803 0.290 -12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 768 15.913 -2.838 -11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 768 16.858 -1.482 -12.002 1.00 0.00 H new ATOM 408 N ARG A 769 9.228 3.188 -11.293 1.00 0.00 N ATOM 409 CA ARG A 769 8.366 4.244 -11.811 1.00 0.00 C ATOM 410 C ARG A 769 7.450 3.708 -12.907 1.00 0.00 C ATOM 411 O ARG A 769 7.904 3.056 -13.847 1.00 0.00 O ATOM 412 CB ARG A 769 9.208 5.399 -12.355 1.00 0.00 C ATOM 413 CG ARG A 769 8.383 6.581 -12.837 1.00 0.00 C ATOM 414 CD ARG A 769 7.771 6.313 -14.203 1.00 0.00 C ATOM 415 NE ARG A 769 7.445 7.549 -14.908 1.00 0.00 N ATOM 416 CZ ARG A 769 6.673 7.597 -15.989 1.00 0.00 C ATOM 417 NH1 ARG A 769 6.152 6.484 -16.485 1.00 0.00 N ATOM 418 NH2 ARG A 769 6.422 8.761 -16.575 1.00 0.00 N ATOM 0 H ARG A 769 10.163 3.498 -11.030 1.00 0.00 H new ATOM 0 HA ARG A 769 7.748 4.609 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.891 5.737 -11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.820 5.034 -13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.592 6.791 -12.117 1.00 0.00 H new ATOM 0 HG3 ARG A 769 9.013 7.469 -12.887 1.00 0.00 H new ATOM 0 HD2 ARG A 769 8.466 5.726 -14.803 1.00 0.00 H new ATOM 0 HD3 ARG A 769 6.868 5.714 -14.085 1.00 0.00 H new ATOM 0 HE ARG A 769 7.831 8.423 -14.552 1.00 0.00 H new ATOM 0 HH11 ARG A 769 6.343 5.588 -16.037 1.00 0.00 H new ATOM 0 HH12 ARG A 769 5.560 6.524 -17.315 1.00 0.00 H new ATOM 0 HH21 ARG A 769 6.822 9.619 -16.196 1.00 0.00 H new ATOM 0 HH22 ARG A 769 5.830 8.797 -17.405 1.00 0.00 H new ATOM 432 N GLY A 770 6.156 3.988 -12.780 1.00 0.00 N ATOM 433 CA GLY A 770 5.197 3.527 -13.766 1.00 0.00 C ATOM 434 C GLY A 770 4.436 2.300 -13.305 1.00 0.00 C ATOM 435 O GLY A 770 3.290 2.086 -13.701 1.00 0.00 O ATOM 0 H GLY A 770 5.755 4.526 -12.012 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.491 4.328 -13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.718 3.300 -14.696 1.00 0.00 H new ATOM 439 N ASP A 771 5.074 1.490 -12.468 1.00 0.00 N ATOM 440 CA ASP A 771 4.451 0.276 -11.953 1.00 0.00 C ATOM 441 C ASP A 771 3.262 0.614 -11.059 1.00 0.00 C ATOM 442 O ASP A 771 3.423 1.202 -9.989 1.00 0.00 O ATOM 443 CB ASP A 771 5.471 -0.556 -11.174 1.00 0.00 C ATOM 444 CG ASP A 771 6.534 -1.157 -12.072 1.00 0.00 C ATOM 445 OD1 ASP A 771 7.191 -0.392 -12.809 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.710 -2.393 -12.037 1.00 0.00 O ATOM 0 H ASP A 771 6.023 1.652 -12.131 1.00 0.00 H new ATOM 0 HA ASP A 771 4.091 -0.307 -12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.948 0.071 -10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.954 -1.355 -10.643 1.00 0.00 H new ATOM 451 N VAL A 772 2.067 0.239 -11.504 1.00 0.00 N ATOM 452 CA VAL A 772 0.851 0.502 -10.745 1.00 0.00 C ATOM 453 C VAL A 772 0.788 -0.363 -9.491 1.00 0.00 C ATOM 454 O VAL A 772 1.332 -1.467 -9.457 1.00 0.00 O ATOM 455 CB VAL A 772 -0.408 0.246 -11.595 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.664 0.583 -10.805 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.350 1.047 -12.887 1.00 0.00 C ATOM 0 H VAL A 772 1.915 -0.248 -12.387 1.00 0.00 H new ATOM 0 HA VAL A 772 0.879 1.553 -10.457 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.443 -0.813 -11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.543 0.396 -11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.709 -0.039 -9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.641 1.634 -10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.247 0.854 -13.475 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.291 2.110 -12.654 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.529 0.751 -13.459 1.00 0.00 H new ATOM 467 N LEU A 773 0.121 0.146 -8.461 1.00 0.00 N ATOM 468 CA LEU A 773 -0.014 -0.580 -7.203 1.00 0.00 C ATOM 469 C LEU A 773 -1.400 -0.374 -6.601 1.00 0.00 C ATOM 470 O LEU A 773 -1.895 0.750 -6.527 1.00 0.00 O ATOM 471 CB LEU A 773 1.057 -0.123 -6.210 1.00 0.00 C ATOM 472 CG LEU A 773 2.375 0.359 -6.819 1.00 0.00 C ATOM 473 CD1 LEU A 773 3.059 1.351 -5.892 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.291 -0.821 -7.111 1.00 0.00 C ATOM 0 H LEU A 773 -0.335 1.058 -8.472 1.00 0.00 H new ATOM 0 HA LEU A 773 0.119 -1.642 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.643 0.684 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.273 -0.950 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 773 2.156 0.864 -7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.995 1.683 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.407 2.210 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.266 0.872 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.224 -0.459 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.504 -1.354 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.802 -1.496 -7.814 1.00 0.00 H new ATOM 486 N ARG A 774 -2.021 -1.468 -6.172 1.00 0.00 N ATOM 487 CA ARG A 774 -3.351 -1.408 -5.576 1.00 0.00 C ATOM 488 C ARG A 774 -3.276 -0.934 -4.128 1.00 0.00 C ATOM 489 O ARG A 774 -2.616 -1.555 -3.293 1.00 0.00 O ATOM 490 CB ARG A 774 -4.025 -2.780 -5.642 1.00 0.00 C ATOM 491 CG ARG A 774 -4.796 -3.019 -6.929 1.00 0.00 C ATOM 492 CD ARG A 774 -5.209 -4.475 -7.069 1.00 0.00 C ATOM 493 NE ARG A 774 -6.187 -4.667 -8.137 1.00 0.00 N ATOM 494 CZ ARG A 774 -6.703 -5.848 -8.457 1.00 0.00 C ATOM 495 NH1 ARG A 774 -6.338 -6.937 -7.794 1.00 0.00 N ATOM 496 NH2 ARG A 774 -7.587 -5.942 -9.442 1.00 0.00 N ATOM 0 H ARG A 774 -1.625 -2.406 -6.226 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.945 -0.692 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.265 -3.554 -5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.705 -2.882 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.683 -2.385 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -4.181 -2.731 -7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -4.328 -5.084 -7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -5.629 -4.825 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 774 -6.490 -3.849 -8.666 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -5.659 -6.869 -7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -6.736 -7.843 -8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -7.871 -5.107 -9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -7.983 -6.850 -9.687 1.00 0.00 H new ATOM 510 N LEU A 775 -3.956 0.169 -3.836 1.00 0.00 N ATOM 511 CA LEU A 775 -3.967 0.727 -2.488 1.00 0.00 C ATOM 512 C LEU A 775 -5.135 0.172 -1.679 1.00 0.00 C ATOM 513 O LEU A 775 -6.233 0.730 -1.690 1.00 0.00 O ATOM 514 CB LEU A 775 -4.053 2.253 -2.547 1.00 0.00 C ATOM 515 CG LEU A 775 -3.017 2.949 -3.431 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.127 4.460 -3.292 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.613 2.480 -3.077 1.00 0.00 C ATOM 0 H LEU A 775 -4.507 0.695 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.038 0.440 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.047 2.528 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -3.957 2.642 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.216 2.684 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.382 4.939 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.124 4.782 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -2.954 4.743 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -0.889 2.985 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.403 2.715 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.540 1.403 -3.228 1.00 0.00 H new ATOM 529 N HIS A 776 -4.890 -0.929 -0.975 1.00 0.00 N ATOM 530 CA HIS A 776 -5.921 -1.558 -0.157 1.00 0.00 C ATOM 531 C HIS A 776 -6.646 -0.521 0.696 1.00 0.00 C ATOM 532 O HIS A 776 -7.854 -0.329 0.562 1.00 0.00 O ATOM 533 CB HIS A 776 -5.305 -2.633 0.740 1.00 0.00 C ATOM 534 CG HIS A 776 -4.667 -3.754 -0.021 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.402 -4.987 0.537 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.243 -3.825 -1.304 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.840 -5.767 -0.370 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.733 -5.085 -1.496 1.00 0.00 N ATOM 0 H HIS A 776 -3.987 -1.404 -0.955 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.646 -2.024 -0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.558 -2.172 1.386 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.080 -3.040 1.390 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.608 -5.255 1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.296 -3.037 -2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.522 -6.788 -0.217 1.00 0.00 H new ATOM 546 N GLU A 777 -5.899 0.142 1.573 1.00 0.00 N ATOM 547 CA GLU A 777 -6.472 1.158 2.449 1.00 0.00 C ATOM 548 C GLU A 777 -5.375 1.963 3.139 1.00 0.00 C ATOM 549 O GLU A 777 -4.306 1.437 3.450 1.00 0.00 O ATOM 550 CB GLU A 777 -7.379 0.508 3.496 1.00 0.00 C ATOM 551 CG GLU A 777 -7.920 1.487 4.524 1.00 0.00 C ATOM 552 CD GLU A 777 -8.521 0.792 5.731 1.00 0.00 C ATOM 553 OE1 GLU A 777 -9.708 0.409 5.664 1.00 0.00 O ATOM 554 OE2 GLU A 777 -7.805 0.633 6.741 1.00 0.00 O ATOM 0 H GLU A 777 -4.897 -0.006 1.696 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.065 1.837 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.216 0.026 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.823 -0.276 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.116 2.146 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.677 2.117 4.057 1.00 0.00 H new ATOM 561 N ARG A 778 -5.648 3.242 3.376 1.00 0.00 N ATOM 562 CA ARG A 778 -4.684 4.121 4.028 1.00 0.00 C ATOM 563 C ARG A 778 -3.947 3.386 5.144 1.00 0.00 C ATOM 564 O ARG A 778 -4.535 2.580 5.864 1.00 0.00 O ATOM 565 CB ARG A 778 -5.389 5.355 4.594 1.00 0.00 C ATOM 566 CG ARG A 778 -4.439 6.484 4.959 1.00 0.00 C ATOM 567 CD ARG A 778 -3.866 7.153 3.720 1.00 0.00 C ATOM 568 NE ARG A 778 -4.750 8.193 3.201 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.331 9.209 2.455 1.00 0.00 C ATOM 570 NH1 ARG A 778 -3.047 9.322 2.144 1.00 0.00 N ATOM 571 NH2 ARG A 778 -5.196 10.116 2.020 1.00 0.00 N ATOM 0 H ARG A 778 -6.528 3.693 3.126 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.955 4.438 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -6.109 5.720 3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -5.954 5.066 5.480 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -4.966 7.223 5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.626 6.093 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.896 7.588 3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -3.697 6.402 2.948 1.00 0.00 H new ATOM 0 HE ARG A 778 -5.744 8.136 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -2.378 8.628 2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -2.728 10.103 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -6.184 10.034 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -4.873 10.896 1.447 1.00 0.00 H new ATOM 585 N ALA A 779 -2.656 3.671 5.281 1.00 0.00 N ATOM 586 CA ALA A 779 -1.840 3.039 6.310 1.00 0.00 C ATOM 587 C ALA A 779 -1.300 4.071 7.294 1.00 0.00 C ATOM 588 O ALA A 779 -1.251 3.827 8.500 1.00 0.00 O ATOM 589 CB ALA A 779 -0.694 2.265 5.673 1.00 0.00 C ATOM 0 H ALA A 779 -2.153 4.335 4.692 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.472 2.344 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.093 1.798 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.097 1.495 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.071 2.947 5.094 1.00 0.00 H new ATOM 595 N SER A 780 -0.896 5.225 6.772 1.00 0.00 N ATOM 596 CA SER A 780 -0.356 6.293 7.605 1.00 0.00 C ATOM 597 C SER A 780 -0.611 7.658 6.971 1.00 0.00 C ATOM 598 O SER A 780 -1.279 7.762 5.943 1.00 0.00 O ATOM 599 CB SER A 780 1.145 6.091 7.821 1.00 0.00 C ATOM 600 OG SER A 780 1.557 6.628 9.066 1.00 0.00 O ATOM 0 H SER A 780 -0.932 5.444 5.776 1.00 0.00 H new ATOM 0 HA SER A 780 -0.862 6.259 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.381 5.028 7.784 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.700 6.569 7.014 1.00 0.00 H new ATOM 0 HG SER A 780 2.520 6.485 9.181 1.00 0.00 H new ATOM 606 N SER A 781 -0.072 8.702 7.593 1.00 0.00 N ATOM 607 CA SER A 781 -0.243 10.061 7.093 1.00 0.00 C ATOM 608 C SER A 781 0.340 10.201 5.690 1.00 0.00 C ATOM 609 O SER A 781 -0.227 10.882 4.836 1.00 0.00 O ATOM 610 CB SER A 781 0.425 11.062 8.038 1.00 0.00 C ATOM 611 OG SER A 781 0.487 12.351 7.453 1.00 0.00 O ATOM 0 H SER A 781 0.487 8.633 8.444 1.00 0.00 H new ATOM 0 HA SER A 781 -1.311 10.273 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.131 11.110 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 781 1.431 10.721 8.282 1.00 0.00 H new ATOM 0 HG SER A 781 0.917 12.973 8.077 1.00 0.00 H new ATOM 617 N ASP A 782 1.476 9.551 5.461 1.00 0.00 N ATOM 618 CA ASP A 782 2.137 9.602 4.162 1.00 0.00 C ATOM 619 C ASP A 782 2.483 8.198 3.674 1.00 0.00 C ATOM 620 O ASP A 782 3.527 7.985 3.058 1.00 0.00 O ATOM 621 CB ASP A 782 3.404 10.454 4.244 1.00 0.00 C ATOM 622 CG ASP A 782 3.137 11.918 3.956 1.00 0.00 C ATOM 623 OD1 ASP A 782 3.205 12.313 2.773 1.00 0.00 O ATOM 624 OD2 ASP A 782 2.859 12.669 4.914 1.00 0.00 O ATOM 0 H ASP A 782 1.958 8.983 6.158 1.00 0.00 H new ATOM 0 HA ASP A 782 1.449 10.056 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.840 10.356 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.139 10.075 3.534 1.00 0.00 H new ATOM 629 N TRP A 783 1.600 7.246 3.953 1.00 0.00 N ATOM 630 CA TRP A 783 1.813 5.863 3.543 1.00 0.00 C ATOM 631 C TRP A 783 0.485 5.163 3.280 1.00 0.00 C ATOM 632 O TRP A 783 -0.570 5.630 3.709 1.00 0.00 O ATOM 633 CB TRP A 783 2.598 5.106 4.616 1.00 0.00 C ATOM 634 CG TRP A 783 4.032 5.531 4.713 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.536 6.551 5.469 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.147 4.948 4.030 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.896 6.638 5.296 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.296 5.665 4.419 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.287 3.889 3.128 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.564 5.355 3.936 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.547 3.584 2.650 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.672 4.314 3.055 1.00 0.00 C ATOM 0 H TRP A 783 0.730 7.406 4.461 1.00 0.00 H new ATOM 0 HA TRP A 783 2.389 5.869 2.618 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.116 5.256 5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.557 4.038 4.401 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.951 7.195 6.109 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.509 7.317 5.747 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.426 3.320 2.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.433 5.917 4.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.667 2.769 1.952 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.643 4.050 2.664 1.00 0.00 H new ATOM 653 N TRP A 784 0.543 4.040 2.572 1.00 0.00 N ATOM 654 CA TRP A 784 -0.657 3.276 2.251 1.00 0.00 C ATOM 655 C TRP A 784 -0.397 1.778 2.373 1.00 0.00 C ATOM 656 O TRP A 784 0.706 1.357 2.721 1.00 0.00 O ATOM 657 CB TRP A 784 -1.137 3.610 0.838 1.00 0.00 C ATOM 658 CG TRP A 784 -1.612 5.024 0.691 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.852 6.156 0.764 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.956 5.455 0.447 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.642 7.265 0.580 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.936 6.863 0.383 1.00 0.00 C ATOM 663 CE3 TRP A 784 -4.172 4.791 0.274 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -4.086 7.613 0.156 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.313 5.537 0.049 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.264 6.936 -0.010 1.00 0.00 C ATOM 0 H TRP A 784 1.408 3.639 2.210 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.434 3.550 2.965 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.324 3.432 0.134 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.947 2.932 0.567 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.213 6.177 0.940 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.317 8.232 0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.220 3.713 0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -4.050 8.692 0.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.259 5.033 -0.084 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -6.173 7.491 -0.190 1.00 0.00 H new ATOM 677 N ARG A 785 -1.419 0.980 2.083 1.00 0.00 N ATOM 678 CA ARG A 785 -1.300 -0.471 2.162 1.00 0.00 C ATOM 679 C ARG A 785 -1.695 -1.121 0.838 1.00 0.00 C ATOM 680 O ARG A 785 -2.846 -1.037 0.413 1.00 0.00 O ATOM 681 CB ARG A 785 -2.177 -1.016 3.291 1.00 0.00 C ATOM 682 CG ARG A 785 -1.491 -1.018 4.647 1.00 0.00 C ATOM 683 CD ARG A 785 -2.448 -1.432 5.754 1.00 0.00 C ATOM 684 NE ARG A 785 -1.744 -1.992 6.905 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.174 -3.192 6.905 1.00 0.00 C ATOM 686 NH1 ARG A 785 -1.224 -3.953 5.820 1.00 0.00 N ATOM 687 NH2 ARG A 785 -0.552 -3.632 7.991 1.00 0.00 N ATOM 0 H ARG A 785 -2.338 1.313 1.791 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.258 -0.714 2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.086 -0.419 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.481 -2.034 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.641 -1.700 4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.097 -0.024 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -3.031 -0.567 6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -3.153 -2.168 5.367 1.00 0.00 H new ATOM 0 HE ARG A 785 -1.687 -1.431 7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -1.701 -3.617 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -0.786 -4.874 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -0.511 -3.049 8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -0.115 -4.553 7.990 1.00 0.00 H new ATOM 701 N GLY A 786 -0.730 -1.769 0.192 1.00 0.00 N ATOM 702 CA GLY A 786 -0.996 -2.423 -1.076 1.00 0.00 C ATOM 703 C GLY A 786 -0.271 -3.747 -1.209 1.00 0.00 C ATOM 704 O GLY A 786 0.463 -4.152 -0.309 1.00 0.00 O ATOM 0 H GLY A 786 0.231 -1.853 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.069 -2.588 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.696 -1.764 -1.891 1.00 0.00 H new ATOM 708 N GLU A 787 -0.480 -4.424 -2.334 1.00 0.00 N ATOM 709 CA GLU A 787 0.158 -5.712 -2.579 1.00 0.00 C ATOM 710 C GLU A 787 0.767 -5.760 -3.977 1.00 0.00 C ATOM 711 O GLU A 787 0.052 -5.732 -4.979 1.00 0.00 O ATOM 712 CB GLU A 787 -0.854 -6.847 -2.412 1.00 0.00 C ATOM 713 CG GLU A 787 -0.466 -8.121 -3.144 1.00 0.00 C ATOM 714 CD GLU A 787 -1.568 -9.163 -3.127 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.293 -9.241 -2.114 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.705 -9.898 -4.126 1.00 0.00 O ATOM 0 H GLU A 787 -1.085 -4.102 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 787 0.958 -5.838 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.968 -7.068 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.826 -6.512 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.215 -7.880 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.431 -8.539 -2.687 1.00 0.00 H new ATOM 723 N HIS A 788 2.093 -5.833 -4.037 1.00 0.00 N ATOM 724 CA HIS A 788 2.800 -5.885 -5.312 1.00 0.00 C ATOM 725 C HIS A 788 2.807 -7.305 -5.871 1.00 0.00 C ATOM 726 O HIS A 788 2.220 -8.215 -5.287 1.00 0.00 O ATOM 727 CB HIS A 788 4.234 -5.383 -5.145 1.00 0.00 C ATOM 728 CG HIS A 788 4.788 -4.735 -6.376 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.132 -4.476 -6.551 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.173 -4.293 -7.498 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.318 -3.903 -7.726 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.145 -3.781 -8.321 1.00 0.00 N ATOM 0 H HIS A 788 2.700 -5.857 -3.217 1.00 0.00 H new ATOM 0 HA HIS A 788 2.277 -5.238 -6.016 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.267 -4.669 -4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.873 -6.221 -4.866 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.867 -4.693 -5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.114 -4.335 -7.707 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.268 -3.588 -8.132 1.00 0.00 H new ATOM 740 N ASN A 789 3.475 -7.485 -7.006 1.00 0.00 N ATOM 741 CA ASN A 789 3.557 -8.794 -7.645 1.00 0.00 C ATOM 742 C ASN A 789 4.169 -9.823 -6.700 1.00 0.00 C ATOM 743 O ASN A 789 5.388 -9.893 -6.547 1.00 0.00 O ATOM 744 CB ASN A 789 4.386 -8.707 -8.928 1.00 0.00 C ATOM 745 CG ASN A 789 5.825 -8.313 -8.661 1.00 0.00 C ATOM 746 OD1 ASN A 789 6.105 -7.195 -8.227 1.00 0.00 O ATOM 747 ND2 ASN A 789 6.748 -9.233 -8.920 1.00 0.00 N ATOM 0 H ASN A 789 3.967 -6.742 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 789 2.545 -9.113 -7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.365 -9.671 -9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 789 3.932 -7.980 -9.602 1.00 0.00 H new ATOM 0 HD21 ASN A 789 7.734 -9.026 -8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 789 6.471 -10.147 -9.279 1.00 0.00 H new ATOM 754 N GLY A 790 3.314 -10.620 -6.067 1.00 0.00 N ATOM 755 CA GLY A 790 3.789 -11.635 -5.145 1.00 0.00 C ATOM 756 C GLY A 790 4.357 -11.042 -3.872 1.00 0.00 C ATOM 757 O GLY A 790 4.953 -11.750 -3.061 1.00 0.00 O ATOM 0 H GLY A 790 2.301 -10.581 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.968 -12.307 -4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.555 -12.237 -5.635 1.00 0.00 H new ATOM 761 N MET A 791 4.174 -9.737 -3.696 1.00 0.00 N ATOM 762 CA MET A 791 4.674 -9.049 -2.511 1.00 0.00 C ATOM 763 C MET A 791 3.559 -8.262 -1.829 1.00 0.00 C ATOM 764 O MET A 791 2.595 -7.848 -2.472 1.00 0.00 O ATOM 765 CB MET A 791 5.821 -8.108 -2.888 1.00 0.00 C ATOM 766 CG MET A 791 7.191 -8.763 -2.818 1.00 0.00 C ATOM 767 SD MET A 791 8.537 -7.580 -3.020 1.00 0.00 S ATOM 768 CE MET A 791 8.395 -7.201 -4.765 1.00 0.00 C ATOM 0 H MET A 791 3.684 -9.136 -4.358 1.00 0.00 H new ATOM 0 HA MET A 791 5.044 -9.800 -1.813 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.657 -7.735 -3.899 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.806 -7.245 -2.223 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.299 -9.270 -1.859 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.264 -9.527 -3.592 1.00 0.00 H new ATOM 0 HE1 MET A 791 9.345 -7.402 -5.260 1.00 0.00 H new ATOM 0 HE2 MET A 791 7.616 -7.821 -5.210 1.00 0.00 H new ATOM 0 HE3 MET A 791 8.137 -6.149 -4.889 1.00 0.00 H new ATOM 778 N ARG A 792 3.698 -8.061 -0.522 1.00 0.00 N ATOM 779 CA ARG A 792 2.702 -7.326 0.247 1.00 0.00 C ATOM 780 C ARG A 792 3.369 -6.440 1.295 1.00 0.00 C ATOM 781 O ARG A 792 4.226 -6.894 2.052 1.00 0.00 O ATOM 782 CB ARG A 792 1.733 -8.296 0.926 1.00 0.00 C ATOM 783 CG ARG A 792 0.955 -9.162 -0.050 1.00 0.00 C ATOM 784 CD ARG A 792 0.055 -10.150 0.677 1.00 0.00 C ATOM 785 NE ARG A 792 0.821 -11.092 1.489 1.00 0.00 N ATOM 786 CZ ARG A 792 0.268 -12.071 2.197 1.00 0.00 C ATOM 787 NH1 ARG A 792 -1.048 -12.235 2.191 1.00 0.00 N ATOM 788 NH2 ARG A 792 1.031 -12.888 2.911 1.00 0.00 N ATOM 0 H ARG A 792 4.490 -8.397 0.025 1.00 0.00 H new ATOM 0 HA ARG A 792 2.146 -6.689 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.293 -8.940 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 792 1.030 -7.727 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.351 -8.528 -0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.650 -9.705 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.642 -9.605 1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.542 -10.700 -0.051 1.00 0.00 H new ATOM 0 HE ARG A 792 1.836 -10.993 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -1.637 -11.609 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -1.471 -12.987 2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 792 2.044 -12.765 2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 792 0.605 -13.639 3.454 1.00 0.00 H new ATOM 802 N GLY A 793 2.970 -5.172 1.332 1.00 0.00 N ATOM 803 CA GLY A 793 3.540 -4.242 2.290 1.00 0.00 C ATOM 804 C GLY A 793 2.933 -2.858 2.186 1.00 0.00 C ATOM 805 O GLY A 793 1.828 -2.693 1.666 1.00 0.00 O ATOM 0 H GLY A 793 2.262 -4.772 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.389 -4.627 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.616 -4.176 2.131 1.00 0.00 H new ATOM 809 N LEU A 794 3.653 -1.858 2.683 1.00 0.00 N ATOM 810 CA LEU A 794 3.178 -0.480 2.645 1.00 0.00 C ATOM 811 C LEU A 794 3.539 0.185 1.320 1.00 0.00 C ATOM 812 O LEU A 794 4.289 -0.373 0.519 1.00 0.00 O ATOM 813 CB LEU A 794 3.773 0.318 3.807 1.00 0.00 C ATOM 814 CG LEU A 794 3.421 -0.177 5.210 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.522 0.185 6.196 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.088 0.403 5.661 1.00 0.00 C ATOM 0 H LEU A 794 4.568 -1.976 3.117 1.00 0.00 H new ATOM 0 HA LEU A 794 2.092 -0.494 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.858 0.317 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.445 1.354 3.716 1.00 0.00 H new ATOM 0 HG LEU A 794 3.331 -1.263 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.254 -0.175 7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.458 -0.278 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.644 1.268 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.853 0.040 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.151 1.491 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.304 0.094 4.970 1.00 0.00 H new ATOM 828 N ILE A 795 3.000 1.379 1.097 1.00 0.00 N ATOM 829 CA ILE A 795 3.268 2.120 -0.129 1.00 0.00 C ATOM 830 C ILE A 795 3.422 3.611 0.153 1.00 0.00 C ATOM 831 O ILE A 795 2.614 4.222 0.853 1.00 0.00 O ATOM 832 CB ILE A 795 2.148 1.917 -1.165 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.248 0.525 -1.792 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.218 2.993 -2.239 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.109 0.202 -2.733 1.00 0.00 C ATOM 0 H ILE A 795 2.375 1.853 1.749 1.00 0.00 H new ATOM 0 HA ILE A 795 4.202 1.732 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 795 1.187 1.998 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.190 0.447 -2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.275 -0.221 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.420 2.836 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.102 3.974 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.182 2.941 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.246 -0.800 -3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.165 0.247 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.094 0.926 -3.548 1.00 0.00 H new ATOM 847 N PRO A 796 4.482 4.213 -0.407 1.00 0.00 N ATOM 848 CA PRO A 796 4.765 5.640 -0.233 1.00 0.00 C ATOM 849 C PRO A 796 3.756 6.524 -0.959 1.00 0.00 C ATOM 850 O PRO A 796 3.544 6.381 -2.163 1.00 0.00 O ATOM 851 CB PRO A 796 6.158 5.803 -0.847 1.00 0.00 C ATOM 852 CG PRO A 796 6.270 4.691 -1.831 1.00 0.00 C ATOM 853 CD PRO A 796 5.485 3.546 -1.254 1.00 0.00 C ATOM 0 HA PRO A 796 4.707 5.942 0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.266 6.773 -1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 796 6.936 5.739 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 796 5.872 4.987 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.312 4.411 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.017 2.946 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.119 2.876 -0.674 1.00 0.00 H new ATOM 861 N HIS A 797 3.137 7.439 -0.219 1.00 0.00 N ATOM 862 CA HIS A 797 2.151 8.347 -0.793 1.00 0.00 C ATOM 863 C HIS A 797 2.834 9.495 -1.530 1.00 0.00 C ATOM 864 O HIS A 797 2.181 10.283 -2.214 1.00 0.00 O ATOM 865 CB HIS A 797 1.238 8.900 0.302 1.00 0.00 C ATOM 866 CG HIS A 797 0.368 10.029 -0.158 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.845 9.837 -0.786 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.539 11.369 -0.077 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.381 11.010 -1.073 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.560 11.956 -0.653 1.00 0.00 N ATOM 0 H HIS A 797 3.301 7.571 0.779 1.00 0.00 H new ATOM 0 HA HIS A 797 1.550 7.786 -1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.606 8.095 0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 797 1.851 9.241 1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.383 11.881 0.360 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.328 11.168 -1.567 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.717 12.960 -0.742 1.00 0.00 H new ATOM 878 N LYS A 798 4.152 9.583 -1.386 1.00 0.00 N ATOM 879 CA LYS A 798 4.925 10.634 -2.038 1.00 0.00 C ATOM 880 C LYS A 798 5.470 10.155 -3.379 1.00 0.00 C ATOM 881 O LYS A 798 5.640 10.944 -4.309 1.00 0.00 O ATOM 882 CB LYS A 798 6.078 11.081 -1.137 1.00 0.00 C ATOM 883 CG LYS A 798 7.130 11.904 -1.859 1.00 0.00 C ATOM 884 CD LYS A 798 8.379 12.079 -1.012 1.00 0.00 C ATOM 885 CE LYS A 798 8.147 13.061 0.127 1.00 0.00 C ATOM 886 NZ LYS A 798 8.030 14.462 -0.363 1.00 0.00 N ATOM 0 H LYS A 798 4.708 8.939 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 798 4.262 11.481 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.676 11.666 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.552 10.200 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 798 7.392 11.418 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.719 12.882 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.683 11.114 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 798 9.198 12.433 -1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 798 7.238 12.787 0.663 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.970 12.993 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 8.111 15.118 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 8.790 14.655 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 7.107 14.592 -0.825 1.00 0.00 H new ATOM 900 N TYR A 799 5.742 8.858 -3.473 1.00 0.00 N ATOM 901 CA TYR A 799 6.269 8.274 -4.701 1.00 0.00 C ATOM 902 C TYR A 799 5.143 7.725 -5.571 1.00 0.00 C ATOM 903 O TYR A 799 5.388 7.136 -6.624 1.00 0.00 O ATOM 904 CB TYR A 799 7.266 7.161 -4.374 1.00 0.00 C ATOM 905 CG TYR A 799 8.597 7.668 -3.867 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.683 8.377 -2.675 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.767 7.441 -4.580 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.897 8.843 -2.208 1.00 0.00 C ATOM 909 CE2 TYR A 799 10.985 7.902 -4.120 1.00 0.00 C ATOM 910 CZ TYR A 799 11.045 8.603 -2.933 1.00 0.00 C ATOM 911 OH TYR A 799 12.256 9.066 -2.472 1.00 0.00 O ATOM 0 H TYR A 799 5.606 8.191 -2.713 1.00 0.00 H new ATOM 0 HA TYR A 799 6.781 9.060 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.828 6.502 -3.624 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.433 6.560 -5.268 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.786 8.567 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.724 6.894 -5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.946 9.393 -1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 799 11.885 7.715 -4.686 1.00 0.00 H new ATOM 0 HH TYR A 799 12.964 8.811 -3.100 1.00 0.00 H new ATOM 921 N ILE A 800 3.908 7.923 -5.122 1.00 0.00 N ATOM 922 CA ILE A 800 2.743 7.449 -5.859 1.00 0.00 C ATOM 923 C ILE A 800 1.731 8.571 -6.067 1.00 0.00 C ATOM 924 O ILE A 800 1.480 9.371 -5.165 1.00 0.00 O ATOM 925 CB ILE A 800 2.054 6.279 -5.133 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.498 6.744 -3.785 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.029 5.127 -4.941 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.083 7.274 -3.866 1.00 0.00 C ATOM 0 H ILE A 800 3.688 8.408 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 800 3.102 7.102 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 800 1.224 5.928 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.526 5.911 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.146 7.522 -3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.527 4.308 -4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.382 4.783 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.878 5.464 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 800 -0.246 7.585 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.052 8.128 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.578 6.491 -4.239 1.00 0.00 H new ATOM 940 N THR A 801 1.149 8.622 -7.261 1.00 0.00 N ATOM 941 CA THR A 801 0.163 9.645 -7.588 1.00 0.00 C ATOM 942 C THR A 801 -1.226 9.038 -7.749 1.00 0.00 C ATOM 943 O THR A 801 -1.464 8.238 -8.655 1.00 0.00 O ATOM 944 CB THR A 801 0.537 10.393 -8.881 1.00 0.00 C ATOM 945 OG1 THR A 801 1.831 10.991 -8.745 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.492 11.467 -9.202 1.00 0.00 C ATOM 0 H THR A 801 1.343 7.967 -8.018 1.00 0.00 H new ATOM 0 HA THR A 801 0.154 10.352 -6.758 1.00 0.00 H new ATOM 0 HB THR A 801 0.554 9.672 -9.699 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.062 11.463 -9.572 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.207 11.982 -10.119 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.471 11.005 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.537 12.184 -8.382 1.00 0.00 H new ATOM 954 N LEU A 802 -2.140 9.423 -6.866 1.00 0.00 N ATOM 955 CA LEU A 802 -3.508 8.917 -6.911 1.00 0.00 C ATOM 956 C LEU A 802 -4.214 9.367 -8.186 1.00 0.00 C ATOM 957 O LEU A 802 -3.894 10.403 -8.769 1.00 0.00 O ATOM 958 CB LEU A 802 -4.290 9.394 -5.686 1.00 0.00 C ATOM 959 CG LEU A 802 -3.834 8.833 -4.338 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.696 9.382 -3.212 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.876 7.312 -4.352 1.00 0.00 C ATOM 0 H LEU A 802 -1.959 10.084 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.466 7.828 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -4.231 10.482 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.340 9.137 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.804 9.146 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -4.357 8.972 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -4.615 10.469 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.735 9.100 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.548 6.930 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.895 6.978 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.215 6.937 -5.133 1.00 0.00 H new ATOM 973 N PRO A 803 -5.198 8.572 -8.630 1.00 0.00 N ATOM 974 CA PRO A 803 -5.972 8.870 -9.839 1.00 0.00 C ATOM 975 C PRO A 803 -6.892 10.072 -9.657 1.00 0.00 C ATOM 976 O PRO A 803 -7.148 10.505 -8.534 1.00 0.00 O ATOM 977 CB PRO A 803 -6.793 7.596 -10.057 1.00 0.00 C ATOM 978 CG PRO A 803 -6.910 6.984 -8.704 1.00 0.00 C ATOM 979 CD PRO A 803 -5.632 7.321 -7.986 1.00 0.00 C ATOM 0 HA PRO A 803 -5.330 9.129 -10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -7.774 7.824 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.298 6.921 -10.755 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.774 7.380 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.046 5.905 -8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.795 7.455 -6.917 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.888 6.532 -8.098 1.00 0.00 H new ATOM 987 N ALA A 804 -7.387 10.606 -10.769 1.00 0.00 N ATOM 988 CA ALA A 804 -8.280 11.757 -10.731 1.00 0.00 C ATOM 989 C ALA A 804 -9.391 11.557 -9.705 1.00 0.00 C ATOM 990 O ALA A 804 -10.284 10.733 -9.895 1.00 0.00 O ATOM 991 CB ALA A 804 -8.873 12.011 -12.109 1.00 0.00 C ATOM 0 H ALA A 804 -7.185 10.260 -11.707 1.00 0.00 H new ATOM 0 HA ALA A 804 -7.697 12.628 -10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -9.538 12.874 -12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -8.070 12.207 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -9.436 11.135 -12.430 1.00 0.00 H new ATOM 997 N GLY A 805 -9.327 12.315 -8.615 1.00 0.00 N ATOM 998 CA GLY A 805 -10.332 12.205 -7.574 1.00 0.00 C ATOM 999 C GLY A 805 -9.750 11.745 -6.252 1.00 0.00 C ATOM 1000 O GLY A 805 -10.348 10.927 -5.552 1.00 0.00 O ATOM 0 H GLY A 805 -8.597 13.004 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -10.816 13.172 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -11.104 11.504 -7.891 1.00 0.00 H new ATOM 1004 N THR A 806 -8.578 12.269 -5.909 1.00 0.00 N ATOM 1005 CA THR A 806 -7.913 11.905 -4.664 1.00 0.00 C ATOM 1006 C THR A 806 -8.892 11.914 -3.495 1.00 0.00 C ATOM 1007 O THR A 806 -10.031 12.359 -3.631 1.00 0.00 O ATOM 1008 CB THR A 806 -6.747 12.862 -4.349 1.00 0.00 C ATOM 1009 OG1 THR A 806 -7.223 14.210 -4.285 1.00 0.00 O ATOM 1010 CG2 THR A 806 -5.658 12.753 -5.406 1.00 0.00 C ATOM 0 H THR A 806 -8.069 12.947 -6.476 1.00 0.00 H new ATOM 0 HA THR A 806 -7.520 10.897 -4.798 1.00 0.00 H new ATOM 0 HB THR A 806 -6.325 12.580 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 806 -6.476 14.811 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 806 -4.845 13.437 -5.163 1.00 0.00 H new ATOM 0 HG22 THR A 806 -5.277 11.732 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 806 -6.070 13.011 -6.381 1.00 0.00 H new ATOM 1018 N GLU A 807 -8.439 11.420 -2.347 1.00 0.00 N ATOM 1019 CA GLU A 807 -9.277 11.371 -1.154 1.00 0.00 C ATOM 1020 C GLU A 807 -9.131 12.650 -0.334 1.00 0.00 C ATOM 1021 O GLU A 807 -8.122 12.858 0.339 1.00 0.00 O ATOM 1022 CB GLU A 807 -8.912 10.158 -0.296 1.00 0.00 C ATOM 1023 CG GLU A 807 -9.947 9.830 0.767 1.00 0.00 C ATOM 1024 CD GLU A 807 -9.737 8.460 1.382 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -10.194 7.465 0.782 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -9.118 8.384 2.463 1.00 0.00 O ATOM 0 H GLU A 807 -7.498 11.049 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 807 -10.315 11.281 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -8.782 9.291 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -7.952 10.341 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -9.909 10.586 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -10.943 9.878 0.326 1.00 0.00 H new ATOM 1033 N LYS A 808 -10.147 13.505 -0.397 1.00 0.00 N ATOM 1034 CA LYS A 808 -10.134 14.763 0.339 1.00 0.00 C ATOM 1035 C LYS A 808 -11.289 14.824 1.333 1.00 0.00 C ATOM 1036 O LYS A 808 -11.150 15.374 2.425 1.00 0.00 O ATOM 1037 CB LYS A 808 -10.219 15.945 -0.630 1.00 0.00 C ATOM 1038 CG LYS A 808 -11.441 15.906 -1.532 1.00 0.00 C ATOM 1039 CD LYS A 808 -11.166 15.131 -2.810 1.00 0.00 C ATOM 1040 CE LYS A 808 -12.455 14.653 -3.460 1.00 0.00 C ATOM 1041 NZ LYS A 808 -13.037 13.484 -2.744 1.00 0.00 N ATOM 0 H LYS A 808 -10.989 13.349 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 808 -9.197 14.821 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -10.230 16.873 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -9.322 15.962 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -12.273 15.447 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -11.744 16.923 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -10.617 15.762 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -10.530 14.274 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -13.179 15.468 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -12.260 14.383 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -13.814 13.083 -3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -12.302 12.762 -2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -13.402 13.790 -1.819 1.00 0.00 H new ATOM 1055 N GLN A 809 -12.426 14.254 0.948 1.00 0.00 N ATOM 1056 CA GLN A 809 -13.604 14.243 1.807 1.00 0.00 C ATOM 1057 C GLN A 809 -13.925 15.647 2.309 1.00 0.00 C ATOM 1058 O GLN A 809 -14.195 15.847 3.493 1.00 0.00 O ATOM 1059 CB GLN A 809 -13.387 13.301 2.993 1.00 0.00 C ATOM 1060 CG GLN A 809 -13.673 11.843 2.672 1.00 0.00 C ATOM 1061 CD GLN A 809 -13.314 10.913 3.814 1.00 0.00 C ATOM 1062 OE1 GLN A 809 -14.189 10.410 4.520 1.00 0.00 O ATOM 1063 NE2 GLN A 809 -12.020 10.679 4.002 1.00 0.00 N ATOM 0 H GLN A 809 -12.556 13.794 0.047 1.00 0.00 H new ATOM 0 HA GLN A 809 -14.449 13.886 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -12.357 13.394 3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -14.027 13.615 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -14.730 11.728 2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -13.112 11.554 1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -11.329 11.117 3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -11.718 10.061 4.755 1.00 0.00 H new ATOM 1072 N VAL A 810 -13.892 16.617 1.401 1.00 0.00 N ATOM 1073 CA VAL A 810 -14.179 18.002 1.751 1.00 0.00 C ATOM 1074 C VAL A 810 -15.490 18.467 1.125 1.00 0.00 C ATOM 1075 O VAL A 810 -15.542 18.793 -0.061 1.00 0.00 O ATOM 1076 CB VAL A 810 -13.046 18.942 1.300 1.00 0.00 C ATOM 1077 CG1 VAL A 810 -13.368 20.382 1.669 1.00 0.00 C ATOM 1078 CG2 VAL A 810 -11.721 18.510 1.911 1.00 0.00 C ATOM 0 H VAL A 810 -13.669 16.469 0.417 1.00 0.00 H new ATOM 0 HA VAL A 810 -14.263 18.042 2.837 1.00 0.00 H new ATOM 0 HB VAL A 810 -12.957 18.881 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 810 -12.556 21.032 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 810 -14.294 20.685 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 810 -13.485 20.463 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 810 -10.931 19.185 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 810 -11.795 18.540 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 810 -11.487 17.495 1.591 1.00 0.00 H new ATOM 1088 N VAL A 811 -16.547 18.495 1.931 1.00 0.00 N ATOM 1089 CA VAL A 811 -17.858 18.922 1.456 1.00 0.00 C ATOM 1090 C VAL A 811 -17.749 20.173 0.592 1.00 0.00 C ATOM 1091 O VAL A 811 -16.896 21.028 0.824 1.00 0.00 O ATOM 1092 CB VAL A 811 -18.815 19.203 2.630 1.00 0.00 C ATOM 1093 CG1 VAL A 811 -19.028 17.946 3.459 1.00 0.00 C ATOM 1094 CG2 VAL A 811 -18.280 20.337 3.493 1.00 0.00 C ATOM 0 H VAL A 811 -16.521 18.227 2.915 1.00 0.00 H new ATOM 0 HA VAL A 811 -18.260 18.105 0.857 1.00 0.00 H new ATOM 0 HB VAL A 811 -19.779 19.509 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 811 -19.707 18.165 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 811 -19.458 17.165 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 811 -18.072 17.606 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 811 -18.968 20.522 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 811 -17.303 20.062 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 811 -18.185 21.240 2.890 1.00 0.00 H new ATOM 1104 N GLY A 812 -18.621 20.273 -0.407 1.00 0.00 N ATOM 1105 CA GLY A 812 -18.607 21.424 -1.291 1.00 0.00 C ATOM 1106 C GLY A 812 -18.671 21.031 -2.754 1.00 0.00 C ATOM 1107 O GLY A 812 -18.215 19.953 -3.135 1.00 0.00 O ATOM 0 H GLY A 812 -19.336 19.578 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 812 -19.452 22.071 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 812 -17.702 22.004 -1.113 1.00 0.00 H new ATOM 1111 N ALA A 813 -19.239 21.907 -3.576 1.00 0.00 N ATOM 1112 CA ALA A 813 -19.360 21.646 -5.005 1.00 0.00 C ATOM 1113 C ALA A 813 -19.770 22.906 -5.760 1.00 0.00 C ATOM 1114 O ALA A 813 -20.853 23.447 -5.544 1.00 0.00 O ATOM 1115 CB ALA A 813 -20.364 20.530 -5.255 1.00 0.00 C ATOM 0 H ALA A 813 -19.623 22.804 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 813 -18.384 21.332 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 813 -20.444 20.346 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 813 -20.030 19.621 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 813 -21.338 20.823 -4.863 1.00 0.00 H new ATOM 1121 N GLY A 814 -18.894 23.370 -6.647 1.00 0.00 N ATOM 1122 CA GLY A 814 -19.183 24.564 -7.420 1.00 0.00 C ATOM 1123 C GLY A 814 -18.924 25.837 -6.639 1.00 0.00 C ATOM 1124 O GLY A 814 -19.004 26.936 -7.187 1.00 0.00 O ATOM 0 H GLY A 814 -17.990 22.940 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -18.573 24.565 -8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -20.225 24.543 -7.739 1.00 0.00 H new TER 1128 GLY A 814