USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=29 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 802 THR OG1 : rot -88:sc= 2.36 USER MOD Set 1.2: A 804 CYS SG : rot 101:sc= 1.28 USER MOD Set 2.1: A 754 THR OG1 : rot -122:sc= 1.25 USER MOD Set 2.2: A 797 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 786 THR OG1 : rot -0:sc= 0.89 USER MOD Set 3.2: A 787 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 748 GLN : amide:sc= 0.424 K(o=1.2,f=-0.42) USER MOD Set 4.2: A 776 ASN : amide:sc= 0.819 K(o=1.2,f=-1.4) USER MOD Set 5.1: A 732 LYS NZ :NH3+ 177:sc= 1.23 (180deg=0) USER MOD Set 5.2: A 816 GLN : amide:sc= 0.278 K(o=1.5,f=-10!) USER MOD Set 6.1: A 722 SER OG : rot 123:sc= -0.434 USER MOD Set 6.2: A 724 SER OG : rot 180:sc= 0.551 USER MOD Set 6.3: A 810 GLN : amide:sc= 0.495 K(o=0.61,f=-1.6) USER MOD Single : A 720 LYS NZ :NH3+ 133:sc= -0.0697 (180deg=-0.503) USER MOD Single : A 726 LYS NZ :NH3+ -125:sc= -0.837 (180deg=-1.87) USER MOD Single : A 728 HIS :FLIP no HE2:sc= 0.143 F(o=-0.56,f=0.14) USER MOD Single : A 729 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.013) USER MOD Single : A 734 CYS SG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 739 SER OG : rot -149:sc= -3.51! USER MOD Single : A 740 SER OG : rot 180:sc= -0.0648 USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 THR OG1 : rot 90:sc= -0.0387 USER MOD Single : A 755 TYR OH : rot -84:sc=-0.00983 USER MOD Single : A 760 THR OG1 : rot -9:sc= 0.579! USER MOD Single : A 766 LYS NZ :NH3+ 161:sc= -0.0947 (180deg=-1.12) USER MOD Single : A 767 THR OG1 : rot -76:sc= 1.33 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+ 174:sc= 0 (180deg=-0.037) USER MOD Single : A 782 THR OG1 : rot 126:sc= -1.58! 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot 180:sc=0.000507 USER MOD Single : A 809 SER OG : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ 168:sc= 0.512 (180deg=0.31) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -17.213 2.007 -5.705 1.00 0.00 N ATOM 42 CA LYS A 720 -16.090 1.192 -6.105 1.00 0.00 C ATOM 43 C LYS A 720 -14.892 1.509 -5.229 1.00 0.00 C ATOM 44 O LYS A 720 -14.323 2.598 -5.302 1.00 0.00 O ATOM 45 CB LYS A 720 -15.753 1.412 -7.579 1.00 0.00 C ATOM 46 CG LYS A 720 -16.966 1.336 -8.490 1.00 0.00 C ATOM 47 CD LYS A 720 -16.591 0.924 -9.904 1.00 0.00 C ATOM 48 CE LYS A 720 -16.170 -0.534 -9.956 1.00 0.00 C ATOM 49 NZ LYS A 720 -17.266 -1.446 -9.532 1.00 0.00 N ATOM 0 HA LYS A 720 -16.356 0.142 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -15.281 2.387 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -15.024 0.665 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -17.682 0.622 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -17.462 2.306 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -17.439 1.085 -10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.778 1.553 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -15.861 -0.786 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -15.304 -0.684 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -17.351 -2.227 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -17.053 -1.830 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -18.162 -0.919 -9.496 1.00 0.00 H new ATOM 63 N PRO A 721 -14.506 0.564 -4.374 1.00 0.00 N ATOM 64 CA PRO A 721 -13.460 0.774 -3.396 1.00 0.00 C ATOM 65 C PRO A 721 -12.079 0.445 -3.942 1.00 0.00 C ATOM 66 O PRO A 721 -11.943 -0.353 -4.875 1.00 0.00 O ATOM 67 CB PRO A 721 -13.863 -0.178 -2.276 1.00 0.00 C ATOM 68 CG PRO A 721 -14.638 -1.280 -2.936 1.00 0.00 C ATOM 69 CD PRO A 721 -15.033 -0.806 -4.311 1.00 0.00 C ATOM 0 HA PRO A 721 -13.376 1.814 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -12.986 -0.571 -1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.469 0.333 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.034 -2.185 -3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.522 -1.530 -2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.604 -1.436 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.115 -0.825 -4.445 1.00 0.00 H new ATOM 77 N SER A 722 -11.062 1.066 -3.354 1.00 0.00 N ATOM 78 CA SER A 722 -9.693 0.909 -3.810 1.00 0.00 C ATOM 79 C SER A 722 -8.763 1.771 -2.964 1.00 0.00 C ATOM 80 O SER A 722 -9.045 2.049 -1.799 1.00 0.00 O ATOM 81 CB SER A 722 -9.585 1.308 -5.285 1.00 0.00 C ATOM 82 OG SER A 722 -8.334 0.926 -5.837 1.00 0.00 O ATOM 0 H SER A 722 -11.166 1.688 -2.553 1.00 0.00 H new ATOM 0 HA SER A 722 -9.399 -0.135 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.391 0.840 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.713 2.386 -5.382 1.00 0.00 H new ATOM 0 HG SER A 722 -8.482 0.347 -6.614 1.00 0.00 H new ATOM 88 N ALA A 723 -7.656 2.181 -3.554 1.00 0.00 N ATOM 89 CA ALA A 723 -6.693 3.025 -2.886 1.00 0.00 C ATOM 90 C ALA A 723 -5.945 3.856 -3.915 1.00 0.00 C ATOM 91 O ALA A 723 -5.855 3.474 -5.078 1.00 0.00 O ATOM 92 CB ALA A 723 -5.733 2.171 -2.077 1.00 0.00 C ATOM 0 H ALA A 723 -7.402 1.936 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.208 3.700 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -5.009 2.813 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.291 1.602 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.209 1.484 -2.741 1.00 0.00 H new ATOM 98 N SER A 724 -5.447 5.008 -3.512 1.00 0.00 N ATOM 99 CA SER A 724 -4.632 5.820 -4.392 1.00 0.00 C ATOM 100 C SER A 724 -3.546 6.509 -3.589 1.00 0.00 C ATOM 101 O SER A 724 -3.788 7.520 -2.919 1.00 0.00 O ATOM 102 CB SER A 724 -5.496 6.839 -5.133 1.00 0.00 C ATOM 103 OG SER A 724 -6.482 6.175 -5.904 1.00 0.00 O ATOM 0 H SER A 724 -5.592 5.402 -2.582 1.00 0.00 H new ATOM 0 HA SER A 724 -4.161 5.179 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 724 -5.973 7.510 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 724 -4.871 7.454 -5.780 1.00 0.00 H new ATOM 0 HG SER A 724 -7.031 6.837 -6.373 1.00 0.00 H new ATOM 109 N LEU A 725 -2.360 5.925 -3.622 1.00 0.00 N ATOM 110 CA LEU A 725 -1.262 6.404 -2.852 1.00 0.00 C ATOM 111 C LEU A 725 -0.867 7.804 -3.250 1.00 0.00 C ATOM 112 O LEU A 725 -0.877 8.185 -4.422 1.00 0.00 O ATOM 113 CB LEU A 725 -0.089 5.449 -2.961 1.00 0.00 C ATOM 114 CG LEU A 725 -0.278 4.109 -2.244 1.00 0.00 C ATOM 115 CD1 LEU A 725 -1.562 3.438 -2.650 1.00 0.00 C ATOM 116 CD2 LEU A 725 0.891 3.207 -2.508 1.00 0.00 C ATOM 0 H LEU A 725 -2.147 5.105 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.576 6.449 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.106 5.255 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.797 5.938 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.336 4.311 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 725 -1.661 2.490 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 725 -2.404 4.083 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 725 -1.552 3.254 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 725 0.742 2.258 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 725 0.977 3.027 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.804 3.679 -2.144 1.00 0.00 H new ATOM 128 N LYS A 726 -0.529 8.544 -2.232 1.00 0.00 N ATOM 129 CA LYS A 726 -0.233 9.964 -2.340 1.00 0.00 C ATOM 130 C LYS A 726 1.263 10.180 -2.496 1.00 0.00 C ATOM 131 O LYS A 726 1.717 11.267 -2.847 1.00 0.00 O ATOM 132 CB LYS A 726 -0.762 10.677 -1.108 1.00 0.00 C ATOM 133 CG LYS A 726 -2.167 10.230 -0.764 1.00 0.00 C ATOM 134 CD LYS A 726 -2.865 11.195 0.162 1.00 0.00 C ATOM 135 CE LYS A 726 -3.235 12.468 -0.571 1.00 0.00 C ATOM 136 NZ LYS A 726 -4.136 12.230 -1.731 1.00 0.00 N ATOM 0 H LYS A 726 -0.447 8.181 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.721 10.375 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.101 10.483 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.754 11.754 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.747 10.126 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.129 9.246 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.763 10.730 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.216 11.431 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -3.720 13.153 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -2.326 12.958 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.712 12.636 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.270 11.207 -1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -5.057 12.680 -1.554 1.00 0.00 H new ATOM 150 N LEU A 727 2.022 9.125 -2.239 1.00 0.00 N ATOM 151 CA LEU A 727 3.461 9.157 -2.426 1.00 0.00 C ATOM 152 C LEU A 727 3.761 8.902 -3.906 1.00 0.00 C ATOM 153 O LEU A 727 3.516 7.809 -4.415 1.00 0.00 O ATOM 154 CB LEU A 727 4.129 8.096 -1.535 1.00 0.00 C ATOM 155 CG LEU A 727 5.602 8.334 -1.167 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.496 8.274 -2.392 1.00 0.00 C ATOM 157 CD2 LEU A 727 5.766 9.667 -0.452 1.00 0.00 C ATOM 0 H LEU A 727 1.661 8.234 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 727 3.861 10.130 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.556 8.017 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 727 4.055 7.132 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 727 5.909 7.535 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.531 8.447 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 727 6.410 7.292 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.190 9.040 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 727 6.816 9.818 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.430 10.473 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.170 9.666 0.461 1.00 0.00 H new ATOM 169 N HIS A 728 4.270 9.910 -4.599 1.00 0.00 N ATOM 170 CA HIS A 728 4.440 9.828 -6.047 1.00 0.00 C ATOM 171 C HIS A 728 5.906 9.859 -6.471 1.00 0.00 C ATOM 172 O HIS A 728 6.298 10.687 -7.295 1.00 0.00 O ATOM 173 CB HIS A 728 3.689 10.971 -6.732 1.00 0.00 C ATOM 174 CG HIS A 728 2.211 10.752 -6.838 1.00 0.00 C ATOM 175 ND1 HIS A 728 1.216 10.980 -5.951 1.00 0.00 N flip ATOM 176 CD2 HIS A 728 1.604 10.243 -7.965 1.00 0.00 C flip ATOM 177 CE1 HIS A 728 0.038 10.609 -6.550 1.00 0.00 C flip ATOM 178 NE2 HIS A 728 0.302 10.168 -7.765 1.00 0.00 N flip ATOM 0 H HIS A 728 4.572 10.792 -4.186 1.00 0.00 H new ATOM 0 HA HIS A 728 4.028 8.868 -6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 728 3.871 11.893 -6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 728 4.098 11.112 -7.733 1.00 0.00 H new ATOM 0 HD1 HIS A 728 1.322 11.358 -5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 728 2.114 9.951 -8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 728 -0.942 10.668 -6.101 1.00 0.00 H new ATOM 187 N HIS A 729 6.709 8.959 -5.914 1.00 0.00 N ATOM 188 CA HIS A 729 8.122 8.836 -6.288 1.00 0.00 C ATOM 189 C HIS A 729 8.779 7.695 -5.522 1.00 0.00 C ATOM 190 O HIS A 729 8.117 7.000 -4.753 1.00 0.00 O ATOM 191 CB HIS A 729 8.898 10.142 -6.047 1.00 0.00 C ATOM 192 CG HIS A 729 8.811 10.664 -4.650 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.876 10.680 -3.778 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.773 11.207 -3.988 1.00 0.00 C ATOM 195 CE1 HIS A 729 9.490 11.213 -2.633 1.00 0.00 C ATOM 196 NE2 HIS A 729 8.217 11.544 -2.735 1.00 0.00 N ATOM 0 H HIS A 729 6.408 8.298 -5.198 1.00 0.00 H new ATOM 0 HA HIS A 729 8.154 8.621 -7.356 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.947 9.978 -6.296 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.523 10.904 -6.730 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.774 11.351 -4.373 1.00 0.00 H new ATOM 0 HE1 HIS A 729 10.111 11.354 -1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 729 7.656 11.979 -2.003 1.00 0.00 H new ATOM 205 N ASP A 730 10.076 7.505 -5.744 1.00 0.00 N ATOM 206 CA ASP A 730 10.844 6.497 -5.020 1.00 0.00 C ATOM 207 C ASP A 730 11.260 7.029 -3.656 1.00 0.00 C ATOM 208 O ASP A 730 11.857 8.103 -3.555 1.00 0.00 O ATOM 209 CB ASP A 730 12.097 6.084 -5.801 1.00 0.00 C ATOM 210 CG ASP A 730 11.791 5.287 -7.054 1.00 0.00 C ATOM 211 OD1 ASP A 730 11.421 5.898 -8.079 1.00 0.00 O ATOM 212 OD2 ASP A 730 11.950 4.049 -7.031 1.00 0.00 O ATOM 0 H ASP A 730 10.619 8.038 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 730 10.204 5.623 -4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.656 6.979 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 730 12.742 5.492 -5.152 1.00 0.00 H new ATOM 217 N LEU A 731 10.929 6.291 -2.612 1.00 0.00 N ATOM 218 CA LEU A 731 11.310 6.663 -1.261 1.00 0.00 C ATOM 219 C LEU A 731 12.748 6.284 -0.973 1.00 0.00 C ATOM 220 O LEU A 731 13.083 5.113 -0.909 1.00 0.00 O ATOM 221 CB LEU A 731 10.377 6.017 -0.247 1.00 0.00 C ATOM 222 CG LEU A 731 9.078 6.772 -0.050 1.00 0.00 C ATOM 223 CD1 LEU A 731 8.144 6.020 0.880 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.355 8.172 0.480 1.00 0.00 C ATOM 0 H LEU A 731 10.394 5.425 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 731 11.224 7.746 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 731 10.151 5.001 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.892 5.941 0.711 1.00 0.00 H new ATOM 0 HG LEU A 731 8.584 6.858 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 731 7.220 6.585 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 731 7.917 5.042 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.623 5.892 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.413 8.702 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 731 9.874 8.103 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 731 9.977 8.714 -0.232 1.00 0.00 H new ATOM 236 N LYS A 732 13.584 7.288 -0.794 1.00 0.00 N ATOM 237 CA LYS A 732 15.011 7.071 -0.579 1.00 0.00 C ATOM 238 C LYS A 732 15.286 6.600 0.845 1.00 0.00 C ATOM 239 O LYS A 732 15.135 7.362 1.801 1.00 0.00 O ATOM 240 CB LYS A 732 15.788 8.360 -0.860 1.00 0.00 C ATOM 241 CG LYS A 732 15.706 8.825 -2.307 1.00 0.00 C ATOM 242 CD LYS A 732 16.453 7.893 -3.252 1.00 0.00 C ATOM 243 CE LYS A 732 17.945 7.861 -2.944 1.00 0.00 C ATOM 244 NZ LYS A 732 18.714 7.110 -3.971 1.00 0.00 N ATOM 0 H LYS A 732 13.303 8.269 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 732 15.342 6.293 -1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.408 9.150 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.834 8.207 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.660 8.885 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 732 16.119 9.830 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 732 16.042 6.886 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 732 16.300 8.218 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 732 18.324 8.881 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 732 18.103 7.403 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 19.729 7.157 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 18.407 6.116 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 18.545 7.530 -4.907 1.00 0.00 H new ATOM 258 N LEU A 733 15.677 5.340 0.982 1.00 0.00 N ATOM 259 CA LEU A 733 16.015 4.776 2.282 1.00 0.00 C ATOM 260 C LEU A 733 17.429 4.225 2.281 1.00 0.00 C ATOM 261 O LEU A 733 18.028 4.006 1.225 1.00 0.00 O ATOM 262 CB LEU A 733 15.079 3.628 2.651 1.00 0.00 C ATOM 263 CG LEU A 733 13.594 3.929 2.624 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.846 2.683 3.038 1.00 0.00 C ATOM 265 CD2 LEU A 733 13.258 5.091 3.549 1.00 0.00 C ATOM 0 H LEU A 733 15.768 4.686 0.204 1.00 0.00 H new ATOM 0 HA LEU A 733 15.919 5.585 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 733 15.271 2.799 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.339 3.285 3.652 1.00 0.00 H new ATOM 0 HG LEU A 733 13.298 4.220 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.774 2.881 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 733 13.075 1.874 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 733 13.149 2.394 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 733 12.187 5.288 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 733 13.545 4.838 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 733 13.801 5.980 3.229 1.00 0.00 H new ATOM 277 N CYS A 734 17.943 3.993 3.472 1.00 0.00 N ATOM 278 CA CYS A 734 19.195 3.292 3.650 1.00 0.00 C ATOM 279 C CYS A 734 18.926 1.965 4.342 1.00 0.00 C ATOM 280 O CYS A 734 17.774 1.585 4.550 1.00 0.00 O ATOM 281 CB CYS A 734 20.175 4.141 4.460 1.00 0.00 C ATOM 282 SG CYS A 734 20.599 5.714 3.676 1.00 0.00 S ATOM 0 H CYS A 734 17.502 4.286 4.344 1.00 0.00 H new ATOM 0 HA CYS A 734 19.649 3.103 2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 734 19.744 4.339 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 734 21.088 3.569 4.623 1.00 0.00 H new ATOM 0 HG CYS A 734 21.431 6.366 4.433 1.00 0.00 H new ATOM 288 N LEU A 735 19.976 1.255 4.683 1.00 0.00 N ATOM 289 CA LEU A 735 19.839 -0.054 5.276 1.00 0.00 C ATOM 290 C LEU A 735 19.249 0.016 6.670 1.00 0.00 C ATOM 291 O LEU A 735 19.627 0.855 7.485 1.00 0.00 O ATOM 292 CB LEU A 735 21.188 -0.743 5.272 1.00 0.00 C ATOM 293 CG LEU A 735 21.397 -1.845 6.306 1.00 0.00 C ATOM 294 CD1 LEU A 735 20.582 -3.075 5.957 1.00 0.00 C ATOM 295 CD2 LEU A 735 22.869 -2.187 6.407 1.00 0.00 C ATOM 0 H LEU A 735 20.940 1.565 4.559 1.00 0.00 H new ATOM 0 HA LEU A 735 19.138 -0.639 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.349 -1.170 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.957 0.014 5.422 1.00 0.00 H new ATOM 0 HG LEU A 735 21.054 -1.483 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 735 20.748 -3.847 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 735 19.524 -2.815 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 735 20.888 -3.449 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 735 23.010 -2.975 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.230 -2.531 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 735 23.428 -1.301 6.709 1.00 0.00 H new ATOM 307 N GLY A 736 18.302 -0.873 6.918 1.00 0.00 N ATOM 308 CA GLY A 736 17.626 -0.901 8.195 1.00 0.00 C ATOM 309 C GLY A 736 16.525 0.130 8.275 1.00 0.00 C ATOM 310 O GLY A 736 15.960 0.363 9.340 1.00 0.00 O ATOM 0 H GLY A 736 17.988 -1.580 6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 736 17.206 -1.893 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 736 18.348 -0.723 8.992 1.00 0.00 H new ATOM 314 N ASP A 737 16.224 0.760 7.149 1.00 0.00 N ATOM 315 CA ASP A 737 15.161 1.767 7.118 1.00 0.00 C ATOM 316 C ASP A 737 13.789 1.172 6.804 1.00 0.00 C ATOM 317 O ASP A 737 13.674 0.132 6.150 1.00 0.00 O ATOM 318 CB ASP A 737 15.480 2.861 6.101 1.00 0.00 C ATOM 319 CG ASP A 737 16.228 4.030 6.710 1.00 0.00 C ATOM 320 OD1 ASP A 737 17.173 4.535 6.072 1.00 0.00 O ATOM 321 OD2 ASP A 737 15.868 4.457 7.828 1.00 0.00 O ATOM 0 H ASP A 737 16.689 0.599 6.256 1.00 0.00 H new ATOM 0 HA ASP A 737 15.118 2.192 8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 737 16.075 2.437 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.551 3.221 5.658 1.00 0.00 H new ATOM 326 N HIS A 738 12.757 1.839 7.320 1.00 0.00 N ATOM 327 CA HIS A 738 11.367 1.571 6.957 1.00 0.00 C ATOM 328 C HIS A 738 10.821 2.800 6.233 1.00 0.00 C ATOM 329 O HIS A 738 11.564 3.751 5.991 1.00 0.00 O ATOM 330 CB HIS A 738 10.516 1.261 8.207 1.00 0.00 C ATOM 331 CG HIS A 738 10.204 2.452 9.080 1.00 0.00 C ATOM 332 ND1 HIS A 738 11.089 2.956 10.009 1.00 0.00 N ATOM 333 CD2 HIS A 738 9.094 3.237 9.160 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.545 3.991 10.620 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.339 4.183 10.123 1.00 0.00 N ATOM 0 H HIS A 738 12.864 2.586 8.007 1.00 0.00 H new ATOM 0 HA HIS A 738 11.320 0.696 6.308 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.577 0.810 7.886 1.00 0.00 H new ATOM 0 HB3 HIS A 738 11.038 0.517 8.808 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.191 3.134 8.576 1.00 0.00 H new ATOM 0 HE1 HIS A 738 11.009 4.581 11.396 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.692 4.918 10.409 1.00 0.00 H new ATOM 344 N SER A 739 9.542 2.804 5.894 1.00 0.00 N ATOM 345 CA SER A 739 8.954 3.968 5.239 1.00 0.00 C ATOM 346 C SER A 739 7.543 4.254 5.721 1.00 0.00 C ATOM 347 O SER A 739 6.961 3.496 6.499 1.00 0.00 O ATOM 348 CB SER A 739 8.949 3.800 3.720 1.00 0.00 C ATOM 349 OG SER A 739 10.223 4.063 3.180 1.00 0.00 O ATOM 0 H SER A 739 8.898 2.030 6.057 1.00 0.00 H new ATOM 0 HA SER A 739 9.580 4.818 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 739 8.643 2.786 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 739 8.216 4.475 3.278 1.00 0.00 H new ATOM 0 HG SER A 739 10.126 4.431 2.277 1.00 0.00 H new ATOM 355 N SER A 740 7.011 5.365 5.244 1.00 0.00 N ATOM 356 CA SER A 740 5.667 5.789 5.556 1.00 0.00 C ATOM 357 C SER A 740 5.050 6.399 4.304 1.00 0.00 C ATOM 358 O SER A 740 5.369 7.524 3.919 1.00 0.00 O ATOM 359 CB SER A 740 5.676 6.800 6.710 1.00 0.00 C ATOM 360 OG SER A 740 4.364 7.049 7.187 1.00 0.00 O ATOM 0 H SER A 740 7.509 6.002 4.623 1.00 0.00 H new ATOM 0 HA SER A 740 5.072 4.933 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 740 6.295 6.421 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 740 6.127 7.734 6.375 1.00 0.00 H new ATOM 0 HG SER A 740 4.401 7.695 7.923 1.00 0.00 H new ATOM 366 N VAL A 741 4.191 5.634 3.659 1.00 0.00 N ATOM 367 CA VAL A 741 3.593 6.037 2.400 1.00 0.00 C ATOM 368 C VAL A 741 2.126 6.400 2.594 1.00 0.00 C ATOM 369 O VAL A 741 1.301 5.560 2.949 1.00 0.00 O ATOM 370 CB VAL A 741 3.752 4.933 1.333 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.434 3.563 1.909 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.876 5.211 0.120 1.00 0.00 C ATOM 0 H VAL A 741 3.888 4.718 3.991 1.00 0.00 H new ATOM 0 HA VAL A 741 4.118 6.923 2.043 1.00 0.00 H new ATOM 0 HB VAL A 741 4.794 4.937 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.555 2.806 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.113 3.349 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.406 3.550 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 741 3.009 4.417 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.831 5.250 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 741 3.160 6.166 -0.323 1.00 0.00 H new ATOM 382 N PRO A 742 1.794 7.673 2.381 1.00 0.00 N ATOM 383 CA PRO A 742 0.434 8.156 2.516 1.00 0.00 C ATOM 384 C PRO A 742 -0.433 7.694 1.357 1.00 0.00 C ATOM 385 O PRO A 742 -0.047 7.827 0.201 1.00 0.00 O ATOM 386 CB PRO A 742 0.564 9.685 2.522 1.00 0.00 C ATOM 387 CG PRO A 742 2.014 10.003 2.297 1.00 0.00 C ATOM 388 CD PRO A 742 2.724 8.725 1.967 1.00 0.00 C ATOM 0 HA PRO A 742 -0.045 7.776 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 742 -0.054 10.128 1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.221 10.097 3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.125 10.721 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.446 10.460 3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.949 8.659 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.672 8.649 2.499 1.00 0.00 H new ATOM 396 N VAL A 743 -1.582 7.112 1.662 1.00 0.00 N ATOM 397 CA VAL A 743 -2.530 6.732 0.629 1.00 0.00 C ATOM 398 C VAL A 743 -3.930 7.265 0.922 1.00 0.00 C ATOM 399 O VAL A 743 -4.530 6.953 1.947 1.00 0.00 O ATOM 400 CB VAL A 743 -2.608 5.207 0.414 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.632 4.474 1.730 1.00 0.00 C ATOM 402 CG2 VAL A 743 -3.818 4.849 -0.428 1.00 0.00 C ATOM 0 H VAL A 743 -1.879 6.893 2.613 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.152 7.186 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.713 4.894 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.687 3.401 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.724 4.701 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.502 4.789 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -3.856 3.769 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.725 5.181 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.744 5.339 -1.399 1.00 0.00 H new ATOM 412 N ALA A 744 -4.439 8.076 0.020 1.00 0.00 N ATOM 413 CA ALA A 744 -5.828 8.471 0.065 1.00 0.00 C ATOM 414 C ALA A 744 -6.641 7.407 -0.635 1.00 0.00 C ATOM 415 O ALA A 744 -6.616 7.274 -1.857 1.00 0.00 O ATOM 416 CB ALA A 744 -6.039 9.841 -0.545 1.00 0.00 C ATOM 0 H ALA A 744 -3.909 8.475 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.156 8.555 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.096 10.104 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.454 10.578 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.719 9.829 -1.587 1.00 0.00 H new ATOM 422 N LEU A 745 -7.327 6.630 0.168 1.00 0.00 N ATOM 423 CA LEU A 745 -7.945 5.405 -0.283 1.00 0.00 C ATOM 424 C LEU A 745 -9.314 5.670 -0.880 1.00 0.00 C ATOM 425 O LEU A 745 -9.861 6.761 -0.735 1.00 0.00 O ATOM 426 CB LEU A 745 -8.044 4.456 0.903 1.00 0.00 C ATOM 427 CG LEU A 745 -6.789 4.440 1.766 1.00 0.00 C ATOM 428 CD1 LEU A 745 -7.144 4.558 3.227 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.978 3.184 1.514 1.00 0.00 C ATOM 0 H LEU A 745 -7.473 6.830 1.157 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.338 4.955 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.897 4.742 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.239 3.448 0.538 1.00 0.00 H new ATOM 0 HG LEU A 745 -6.179 5.301 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -6.233 4.544 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.676 5.494 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.780 3.721 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -5.087 3.195 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.580 2.308 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.683 3.145 0.465 1.00 0.00 H new ATOM 441 N LYS A 746 -9.862 4.671 -1.541 1.00 0.00 N ATOM 442 CA LYS A 746 -11.141 4.812 -2.197 1.00 0.00 C ATOM 443 C LYS A 746 -12.132 3.807 -1.658 1.00 0.00 C ATOM 444 O LYS A 746 -11.767 2.745 -1.157 1.00 0.00 O ATOM 445 CB LYS A 746 -11.011 4.636 -3.690 1.00 0.00 C ATOM 446 CG LYS A 746 -11.999 5.494 -4.433 1.00 0.00 C ATOM 447 CD LYS A 746 -12.268 4.994 -5.828 1.00 0.00 C ATOM 448 CE LYS A 746 -13.508 5.670 -6.358 1.00 0.00 C ATOM 449 NZ LYS A 746 -13.255 7.080 -6.758 1.00 0.00 N ATOM 0 H LYS A 746 -9.437 3.749 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.503 5.820 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -9.998 4.892 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -11.169 3.589 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.936 5.528 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -11.621 6.515 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -11.417 5.206 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.402 3.912 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -13.884 5.113 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -14.287 5.645 -5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -14.135 7.503 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -12.921 7.620 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -12.531 7.105 -7.504 1.00 0.00 H new ATOM 463 N GLY A 747 -13.383 4.157 -1.791 1.00 0.00 N ATOM 464 CA GLY A 747 -14.457 3.324 -1.295 1.00 0.00 C ATOM 465 C GLY A 747 -14.933 3.794 0.055 1.00 0.00 C ATOM 466 O GLY A 747 -14.125 4.105 0.923 1.00 0.00 O ATOM 0 H GLY A 747 -13.690 5.019 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.287 3.338 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -14.116 2.291 -1.224 1.00 0.00 H new ATOM 470 N GLN A 748 -16.235 3.845 0.244 1.00 0.00 N ATOM 471 CA GLN A 748 -16.779 4.412 1.464 1.00 0.00 C ATOM 472 C GLN A 748 -17.316 3.324 2.372 1.00 0.00 C ATOM 473 O GLN A 748 -18.257 2.609 2.018 1.00 0.00 O ATOM 474 CB GLN A 748 -17.874 5.430 1.149 1.00 0.00 C ATOM 475 CG GLN A 748 -17.468 6.469 0.112 1.00 0.00 C ATOM 476 CD GLN A 748 -16.179 7.182 0.467 1.00 0.00 C ATOM 477 OE1 GLN A 748 -15.858 7.374 1.642 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.425 7.573 -0.548 1.00 0.00 N ATOM 0 H GLN A 748 -16.930 3.506 -0.421 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.970 4.926 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.758 4.901 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -18.158 5.941 2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.354 5.983 -0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -18.267 7.203 0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -15.727 7.395 -1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -14.542 8.053 -0.372 1.00 0.00 H new ATOM 487 N GLY A 749 -16.707 3.203 3.536 1.00 0.00 N ATOM 488 CA GLY A 749 -17.056 2.148 4.453 1.00 0.00 C ATOM 489 C GLY A 749 -15.843 1.418 4.937 1.00 0.00 C ATOM 490 O GLY A 749 -14.762 1.582 4.386 1.00 0.00 O ATOM 0 H GLY A 749 -15.968 3.825 3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.593 2.567 5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.732 1.447 3.963 1.00 0.00 H new ATOM 494 N PRO A 750 -15.993 0.644 6.005 1.00 0.00 N ATOM 495 CA PRO A 750 -14.953 -0.249 6.501 1.00 0.00 C ATOM 496 C PRO A 750 -14.559 -1.290 5.461 1.00 0.00 C ATOM 497 O PRO A 750 -15.176 -2.352 5.350 1.00 0.00 O ATOM 498 CB PRO A 750 -15.637 -0.899 7.701 1.00 0.00 C ATOM 499 CG PRO A 750 -17.075 -0.786 7.386 1.00 0.00 C ATOM 500 CD PRO A 750 -17.195 0.574 6.838 1.00 0.00 C ATOM 0 HA PRO A 750 -14.022 0.263 6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -15.333 -1.939 7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.389 -0.386 8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -17.389 -1.540 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.693 -0.918 8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.108 0.706 6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -17.201 1.335 7.619 1.00 0.00 H new ATOM 508 N PHE A 751 -13.524 -0.980 4.704 1.00 0.00 N ATOM 509 CA PHE A 751 -13.075 -1.849 3.632 1.00 0.00 C ATOM 510 C PHE A 751 -11.806 -2.586 4.021 1.00 0.00 C ATOM 511 O PHE A 751 -10.947 -2.043 4.705 1.00 0.00 O ATOM 512 CB PHE A 751 -12.859 -1.047 2.347 1.00 0.00 C ATOM 513 CG PHE A 751 -14.142 -0.754 1.617 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.800 0.454 1.765 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.692 -1.707 0.779 1.00 0.00 C ATOM 516 CE1 PHE A 751 -15.979 0.700 1.090 1.00 0.00 C ATOM 517 CE2 PHE A 751 -15.871 -1.463 0.105 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.515 -0.258 0.260 1.00 0.00 C ATOM 0 H PHE A 751 -12.975 -0.127 4.812 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.852 -2.591 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.363 -0.108 2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.190 -1.600 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.387 1.212 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.192 -2.655 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.482 1.647 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.288 -2.219 -0.544 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.437 -0.064 -0.267 1.00 0.00 H new ATOM 528 N THR A 752 -11.695 -3.830 3.591 1.00 0.00 N ATOM 529 CA THR A 752 -10.530 -4.625 3.906 1.00 0.00 C ATOM 530 C THR A 752 -9.474 -4.400 2.845 1.00 0.00 C ATOM 531 O THR A 752 -9.564 -4.909 1.729 1.00 0.00 O ATOM 532 CB THR A 752 -10.874 -6.118 4.055 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.794 -6.292 5.141 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.624 -6.938 4.310 1.00 0.00 C ATOM 0 H THR A 752 -12.397 -4.307 3.025 1.00 0.00 H new ATOM 0 HA THR A 752 -10.140 -4.306 4.872 1.00 0.00 H new ATOM 0 HB THR A 752 -11.329 -6.463 3.126 1.00 0.00 H new ATOM 0 HG1 THR A 752 -12.712 -6.225 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.893 -7.989 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.934 -6.819 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.145 -6.596 5.227 1.00 0.00 H new ATOM 542 N LEU A 753 -8.495 -3.604 3.214 1.00 0.00 N ATOM 543 CA LEU A 753 -7.511 -3.095 2.285 1.00 0.00 C ATOM 544 C LEU A 753 -6.283 -3.993 2.251 1.00 0.00 C ATOM 545 O LEU A 753 -5.601 -4.160 3.262 1.00 0.00 O ATOM 546 CB LEU A 753 -7.117 -1.685 2.718 1.00 0.00 C ATOM 547 CG LEU A 753 -6.013 -1.032 1.889 1.00 0.00 C ATOM 548 CD1 LEU A 753 -6.535 -0.578 0.535 1.00 0.00 C ATOM 549 CD2 LEU A 753 -5.394 0.115 2.656 1.00 0.00 C ATOM 0 H LEU A 753 -8.358 -3.289 4.175 1.00 0.00 H new ATOM 0 HA LEU A 753 -7.938 -3.074 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.002 -1.050 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.795 -1.719 3.759 1.00 0.00 H new ATOM 0 HG LEU A 753 -5.238 -1.775 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -5.725 -0.117 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -6.918 -1.438 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -7.336 0.147 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -4.608 0.573 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.159 0.858 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -4.968 -0.258 3.587 1.00 0.00 H new ATOM 561 N THR A 754 -6.005 -4.574 1.098 1.00 0.00 N ATOM 562 CA THR A 754 -4.855 -5.441 0.947 1.00 0.00 C ATOM 563 C THR A 754 -3.888 -4.874 -0.077 1.00 0.00 C ATOM 564 O THR A 754 -4.292 -4.484 -1.179 1.00 0.00 O ATOM 565 CB THR A 754 -5.266 -6.842 0.498 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.528 -7.201 1.077 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.212 -7.827 0.935 1.00 0.00 C ATOM 0 H THR A 754 -6.563 -4.460 0.252 1.00 0.00 H new ATOM 0 HA THR A 754 -4.374 -5.503 1.923 1.00 0.00 H new ATOM 0 HB THR A 754 -5.363 -6.857 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.425 -8.020 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.498 -8.830 0.618 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.256 -7.562 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.119 -7.802 2.021 1.00 0.00 H new ATOM 575 N TYR A 755 -2.613 -4.831 0.270 1.00 0.00 N ATOM 576 CA TYR A 755 -1.616 -4.303 -0.636 1.00 0.00 C ATOM 577 C TYR A 755 -0.314 -5.092 -0.553 1.00 0.00 C ATOM 578 O TYR A 755 -0.032 -5.744 0.455 1.00 0.00 O ATOM 579 CB TYR A 755 -1.370 -2.820 -0.349 1.00 0.00 C ATOM 580 CG TYR A 755 -1.076 -2.502 1.107 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.189 -2.705 1.650 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.066 -1.980 1.933 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.456 -2.399 2.969 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.804 -1.676 3.256 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.540 -1.887 3.767 1.00 0.00 C ATOM 586 OH TYR A 755 -0.267 -1.580 5.079 1.00 0.00 O ATOM 0 H TYR A 755 -2.249 -5.154 1.166 1.00 0.00 H new ATOM 0 HA TYR A 755 -1.997 -4.404 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.533 -2.479 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.246 -2.252 -0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 755 0.975 -3.109 1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.055 -1.809 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.444 -2.561 3.373 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.584 -1.276 3.886 1.00 0.00 H new ATOM 0 HH TYR A 755 -0.348 -2.388 5.628 1.00 0.00 H new ATOM 596 N ASP A 756 0.467 -5.021 -1.622 1.00 0.00 N ATOM 597 CA ASP A 756 1.735 -5.730 -1.703 1.00 0.00 C ATOM 598 C ASP A 756 2.877 -4.755 -1.893 1.00 0.00 C ATOM 599 O ASP A 756 2.926 -4.021 -2.885 1.00 0.00 O ATOM 600 CB ASP A 756 1.740 -6.712 -2.876 1.00 0.00 C ATOM 601 CG ASP A 756 1.772 -8.168 -2.446 1.00 0.00 C ATOM 602 OD1 ASP A 756 2.825 -8.818 -2.610 1.00 0.00 O ATOM 603 OD2 ASP A 756 0.742 -8.679 -1.960 1.00 0.00 O ATOM 0 H ASP A 756 0.241 -4.474 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 756 1.862 -6.277 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 756 0.853 -6.541 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.605 -6.508 -3.507 1.00 0.00 H new ATOM 608 N ILE A 757 3.789 -4.743 -0.945 1.00 0.00 N ATOM 609 CA ILE A 757 5.051 -4.069 -1.128 1.00 0.00 C ATOM 610 C ILE A 757 5.998 -5.056 -1.785 1.00 0.00 C ATOM 611 O ILE A 757 6.597 -5.907 -1.125 1.00 0.00 O ATOM 612 CB ILE A 757 5.653 -3.544 0.202 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.853 -2.358 0.733 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.096 -3.133 0.009 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.649 -2.743 1.559 1.00 0.00 C ATOM 0 H ILE A 757 3.677 -5.195 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 757 4.896 -3.188 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 757 5.606 -4.355 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.510 -1.733 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.522 -1.751 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.500 -2.768 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.677 -3.992 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.152 -2.343 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.137 -1.842 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 757 2.969 -3.342 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.971 -3.323 2.423 1.00 0.00 H new ATOM 627 N ILE A 758 6.098 -4.966 -3.095 1.00 0.00 N ATOM 628 CA ILE A 758 6.825 -5.948 -3.857 1.00 0.00 C ATOM 629 C ILE A 758 8.230 -5.478 -4.121 1.00 0.00 C ATOM 630 O ILE A 758 8.468 -4.301 -4.308 1.00 0.00 O ATOM 631 CB ILE A 758 6.104 -6.254 -5.183 1.00 0.00 C ATOM 632 CG1 ILE A 758 6.005 -5.010 -6.069 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.723 -6.794 -4.889 1.00 0.00 C ATOM 634 CD1 ILE A 758 7.064 -4.954 -7.153 1.00 0.00 C ATOM 0 H ILE A 758 5.682 -4.219 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 758 6.870 -6.866 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 758 6.685 -6.999 -5.726 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.019 -4.982 -6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.089 -4.121 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.210 -7.011 -5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.807 -7.708 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.154 -6.053 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 758 6.934 -4.046 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.053 -4.951 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 758 6.967 -5.825 -7.801 1.00 0.00 H new ATOM 646 N GLU A 759 9.171 -6.384 -4.122 1.00 0.00 N ATOM 647 CA GLU A 759 10.523 -6.000 -4.430 1.00 0.00 C ATOM 648 C GLU A 759 10.809 -6.244 -5.897 1.00 0.00 C ATOM 649 O GLU A 759 10.641 -7.353 -6.408 1.00 0.00 O ATOM 650 CB GLU A 759 11.539 -6.728 -3.559 1.00 0.00 C ATOM 651 CG GLU A 759 11.530 -8.211 -3.715 1.00 0.00 C ATOM 652 CD GLU A 759 12.853 -8.827 -3.340 1.00 0.00 C ATOM 653 OE1 GLU A 759 13.302 -9.728 -4.065 1.00 0.00 O ATOM 654 OE2 GLU A 759 13.450 -8.410 -2.330 1.00 0.00 O ATOM 0 H GLU A 759 9.032 -7.374 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 759 10.622 -4.936 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 759 12.536 -6.356 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 759 11.346 -6.483 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.743 -8.636 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 759 11.292 -8.465 -4.748 1.00 0.00 H new ATOM 661 N THR A 760 11.234 -5.201 -6.573 1.00 0.00 N ATOM 662 CA THR A 760 11.596 -5.306 -7.966 1.00 0.00 C ATOM 663 C THR A 760 13.081 -5.647 -8.052 1.00 0.00 C ATOM 664 O THR A 760 13.645 -5.820 -9.132 1.00 0.00 O ATOM 665 CB THR A 760 11.247 -4.009 -8.739 1.00 0.00 C ATOM 666 OG1 THR A 760 11.990 -3.911 -9.963 1.00 0.00 O ATOM 667 CG2 THR A 760 11.482 -2.782 -7.878 1.00 0.00 C ATOM 0 H THR A 760 11.337 -4.267 -6.177 1.00 0.00 H new ATOM 0 HA THR A 760 11.020 -6.101 -8.441 1.00 0.00 H new ATOM 0 HB THR A 760 10.188 -4.056 -8.991 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.672 -4.615 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 760 11.229 -1.886 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.856 -2.837 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.530 -2.740 -7.582 1.00 0.00 H new ATOM 739 N ARG A 765 7.882 -10.538 -2.848 1.00 0.00 N ATOM 740 CA ARG A 765 6.706 -9.713 -2.619 1.00 0.00 C ATOM 741 C ARG A 765 6.206 -9.842 -1.187 1.00 0.00 C ATOM 742 O ARG A 765 6.219 -10.932 -0.606 1.00 0.00 O ATOM 743 CB ARG A 765 5.593 -10.104 -3.586 1.00 0.00 C ATOM 744 CG ARG A 765 5.982 -9.987 -5.047 1.00 0.00 C ATOM 745 CD ARG A 765 4.788 -10.235 -5.952 1.00 0.00 C ATOM 746 NE ARG A 765 4.175 -11.540 -5.705 1.00 0.00 N ATOM 747 CZ ARG A 765 2.879 -11.718 -5.442 1.00 0.00 C ATOM 748 NH1 ARG A 765 2.062 -10.674 -5.366 1.00 0.00 N ATOM 749 NH2 ARG A 765 2.403 -12.939 -5.240 1.00 0.00 N ATOM 0 HA ARG A 765 6.991 -8.675 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 765 5.291 -11.131 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 765 4.724 -9.473 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 765 6.389 -8.994 -5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 765 6.770 -10.704 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 765 4.047 -9.451 -5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 765 5.104 -10.174 -6.994 1.00 0.00 H new ATOM 0 HE ARG A 765 4.775 -12.364 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 765 2.424 -9.731 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 765 1.072 -10.815 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 765 3.028 -13.744 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 765 1.412 -13.073 -5.039 1.00 0.00 H new ATOM 763 N LYS A 766 5.753 -8.732 -0.629 1.00 0.00 N ATOM 764 CA LYS A 766 5.268 -8.711 0.733 1.00 0.00 C ATOM 765 C LYS A 766 3.831 -8.237 0.764 1.00 0.00 C ATOM 766 O LYS A 766 3.478 -7.265 0.117 1.00 0.00 O ATOM 767 CB LYS A 766 6.136 -7.810 1.604 1.00 0.00 C ATOM 768 CG LYS A 766 5.992 -8.120 3.082 1.00 0.00 C ATOM 769 CD LYS A 766 4.971 -7.236 3.763 1.00 0.00 C ATOM 770 CE LYS A 766 4.834 -7.614 5.224 1.00 0.00 C ATOM 771 NZ LYS A 766 6.143 -7.581 5.936 1.00 0.00 N ATOM 0 H LYS A 766 5.713 -7.831 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 766 5.319 -9.724 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.180 -7.924 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.867 -6.769 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.703 -9.164 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.958 -7.997 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 766 5.271 -6.191 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 766 4.007 -7.333 3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 766 4.139 -6.930 5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 766 4.405 -8.613 5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 5.979 -7.525 6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 6.679 -8.445 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 6.686 -6.750 5.626 1.00 0.00 H new ATOM 785 N THR A 767 3.021 -8.912 1.539 1.00 0.00 N ATOM 786 CA THR A 767 1.597 -8.623 1.579 1.00 0.00 C ATOM 787 C THR A 767 1.185 -8.109 2.954 1.00 0.00 C ATOM 788 O THR A 767 1.627 -8.630 3.979 1.00 0.00 O ATOM 789 CB THR A 767 0.778 -9.884 1.236 1.00 0.00 C ATOM 790 OG1 THR A 767 1.180 -10.397 -0.041 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.715 -9.581 1.213 1.00 0.00 C ATOM 0 H THR A 767 3.317 -9.669 2.155 1.00 0.00 H new ATOM 0 HA THR A 767 1.394 -7.850 0.837 1.00 0.00 H new ATOM 0 HB THR A 767 0.968 -10.629 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.804 -9.837 -0.752 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.267 -10.489 0.968 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.028 -9.219 2.192 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.920 -8.818 0.462 1.00 0.00 H new ATOM 799 N PHE A 768 0.357 -7.075 2.975 1.00 0.00 N ATOM 800 CA PHE A 768 -0.177 -6.556 4.211 1.00 0.00 C ATOM 801 C PHE A 768 -1.647 -6.226 4.017 1.00 0.00 C ATOM 802 O PHE A 768 -2.033 -5.647 2.999 1.00 0.00 O ATOM 803 CB PHE A 768 0.579 -5.306 4.641 1.00 0.00 C ATOM 804 CG PHE A 768 0.534 -5.056 6.118 1.00 0.00 C ATOM 805 CD1 PHE A 768 -0.653 -4.702 6.720 1.00 0.00 C ATOM 806 CD2 PHE A 768 1.672 -5.171 6.897 1.00 0.00 C ATOM 807 CE1 PHE A 768 -0.717 -4.467 8.080 1.00 0.00 C ATOM 808 CE2 PHE A 768 1.621 -4.937 8.259 1.00 0.00 C ATOM 809 CZ PHE A 768 0.423 -4.584 8.852 1.00 0.00 C ATOM 0 H PHE A 768 0.043 -6.581 2.140 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.065 -7.309 4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.619 -5.395 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 768 0.162 -4.443 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 768 -1.546 -4.607 6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 768 2.609 -5.446 6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 768 -1.656 -4.193 8.538 1.00 0.00 H new ATOM 0 HE2 PHE A 768 2.515 -5.030 8.858 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.378 -4.400 9.915 1.00 0.00 H new ATOM 819 N GLU A 769 -2.459 -6.607 4.980 1.00 0.00 N ATOM 820 CA GLU A 769 -3.884 -6.368 4.912 1.00 0.00 C ATOM 821 C GLU A 769 -4.382 -5.659 6.165 1.00 0.00 C ATOM 822 O GLU A 769 -4.033 -6.033 7.288 1.00 0.00 O ATOM 823 CB GLU A 769 -4.612 -7.694 4.720 1.00 0.00 C ATOM 824 CG GLU A 769 -6.124 -7.559 4.625 1.00 0.00 C ATOM 825 CD GLU A 769 -6.792 -8.841 4.184 1.00 0.00 C ATOM 826 OE1 GLU A 769 -7.243 -9.617 5.050 1.00 0.00 O ATOM 827 OE2 GLU A 769 -6.878 -9.075 2.962 1.00 0.00 O ATOM 0 H GLU A 769 -2.153 -7.088 5.826 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.091 -5.717 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.242 -8.172 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.368 -8.355 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.521 -7.261 5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.371 -6.764 3.922 1.00 0.00 H new ATOM 834 N ILE A 770 -5.180 -4.625 5.959 1.00 0.00 N ATOM 835 CA ILE A 770 -5.807 -3.901 7.043 1.00 0.00 C ATOM 836 C ILE A 770 -7.306 -3.905 6.825 1.00 0.00 C ATOM 837 O ILE A 770 -7.810 -3.277 5.894 1.00 0.00 O ATOM 838 CB ILE A 770 -5.294 -2.449 7.126 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.810 -2.433 7.480 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.086 -1.658 8.155 1.00 0.00 C ATOM 841 CD1 ILE A 770 -2.984 -1.568 6.565 1.00 0.00 C ATOM 0 H ILE A 770 -5.409 -4.266 5.032 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.557 -4.392 7.983 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.430 -1.981 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.693 -2.080 8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.426 -3.453 7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.708 -0.636 8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.138 -1.644 7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.980 -2.126 9.134 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -1.940 -1.604 6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.071 -1.933 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.342 -0.540 6.615 1.00 0.00 H new ATOM 853 N LYS A 771 -8.014 -4.648 7.647 1.00 0.00 N ATOM 854 CA LYS A 771 -9.434 -4.791 7.482 1.00 0.00 C ATOM 855 C LYS A 771 -10.169 -3.596 8.046 1.00 0.00 C ATOM 856 O LYS A 771 -9.703 -2.938 8.977 1.00 0.00 O ATOM 857 CB LYS A 771 -9.919 -6.066 8.150 1.00 0.00 C ATOM 858 CG LYS A 771 -8.831 -7.117 8.257 1.00 0.00 C ATOM 859 CD LYS A 771 -9.393 -8.492 8.545 1.00 0.00 C ATOM 860 CE LYS A 771 -10.135 -9.046 7.339 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.638 -10.424 7.577 1.00 0.00 N ATOM 0 H LYS A 771 -7.623 -5.162 8.437 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.645 -4.849 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.291 -5.831 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.757 -6.472 7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.263 -7.146 7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -8.135 -6.838 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.584 -9.168 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -10.069 -8.440 9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -10.972 -8.392 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.471 -9.047 6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -11.137 -10.763 6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.837 -11.055 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -11.292 -10.420 8.386 1.00 0.00 H new ATOM 875 N GLU A 772 -11.321 -3.341 7.459 1.00 0.00 N ATOM 876 CA GLU A 772 -12.229 -2.289 7.897 1.00 0.00 C ATOM 877 C GLU A 772 -11.552 -0.920 7.949 1.00 0.00 C ATOM 878 O GLU A 772 -11.635 -0.227 8.966 1.00 0.00 O ATOM 879 CB GLU A 772 -12.803 -2.610 9.279 1.00 0.00 C ATOM 880 CG GLU A 772 -13.042 -4.089 9.520 1.00 0.00 C ATOM 881 CD GLU A 772 -13.821 -4.360 10.788 1.00 0.00 C ATOM 882 OE1 GLU A 772 -15.054 -4.539 10.708 1.00 0.00 O ATOM 883 OE2 GLU A 772 -13.205 -4.395 11.872 1.00 0.00 O ATOM 0 H GLU A 772 -11.662 -3.864 6.652 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.030 -2.247 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.120 -2.234 10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.745 -2.075 9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.582 -4.508 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.082 -4.603 9.572 1.00 0.00 H new ATOM 890 N ILE A 773 -10.881 -0.521 6.876 1.00 0.00 N ATOM 891 CA ILE A 773 -10.390 0.839 6.800 1.00 0.00 C ATOM 892 C ILE A 773 -11.581 1.738 6.513 1.00 0.00 C ATOM 893 O ILE A 773 -12.330 1.523 5.565 1.00 0.00 O ATOM 894 CB ILE A 773 -9.228 1.038 5.765 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.715 1.480 4.378 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.395 -0.233 5.629 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.900 2.986 4.235 1.00 0.00 C ATOM 0 H ILE A 773 -10.671 -1.106 6.068 1.00 0.00 H new ATOM 0 HA ILE A 773 -9.932 1.103 7.753 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.613 1.845 6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -9.001 1.140 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.663 0.986 4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.596 -0.069 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -7.962 -0.489 6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.031 -1.050 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.245 3.216 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.637 3.332 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.950 3.488 4.416 1.00 0.00 H new ATOM 909 N LYS A 774 -11.797 2.685 7.397 1.00 0.00 N ATOM 910 CA LYS A 774 -12.934 3.580 7.318 1.00 0.00 C ATOM 911 C LYS A 774 -12.428 4.998 7.089 1.00 0.00 C ATOM 912 O LYS A 774 -13.085 5.980 7.431 1.00 0.00 O ATOM 913 CB LYS A 774 -13.705 3.475 8.635 1.00 0.00 C ATOM 914 CG LYS A 774 -13.988 2.030 9.024 1.00 0.00 C ATOM 915 CD LYS A 774 -14.293 1.870 10.503 1.00 0.00 C ATOM 916 CE LYS A 774 -14.345 0.398 10.894 1.00 0.00 C ATOM 917 NZ LYS A 774 -14.541 0.210 12.356 1.00 0.00 N ATOM 0 H LYS A 774 -11.187 2.859 8.196 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.595 3.316 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.133 3.957 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.647 4.017 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -14.831 1.660 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.127 1.413 8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -13.531 2.380 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.246 2.345 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.157 -0.091 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -13.420 -0.090 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -14.570 -0.806 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -13.754 0.653 12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -15.437 0.652 12.646 1.00 0.00 H new ATOM 931 N THR A 775 -11.241 5.080 6.501 1.00 0.00 N ATOM 932 CA THR A 775 -10.511 6.335 6.408 1.00 0.00 C ATOM 933 C THR A 775 -10.705 7.073 5.076 1.00 0.00 C ATOM 934 O THR A 775 -11.370 8.107 5.031 1.00 0.00 O ATOM 935 CB THR A 775 -9.015 6.075 6.589 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.822 4.957 7.464 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.321 7.296 7.166 1.00 0.00 C ATOM 0 H THR A 775 -10.762 4.285 6.079 1.00 0.00 H new ATOM 0 HA THR A 775 -10.914 6.970 7.197 1.00 0.00 H new ATOM 0 HB THR A 775 -8.582 5.858 5.612 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.863 4.792 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.258 7.088 7.286 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.451 8.142 6.491 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.755 7.537 8.136 1.00 0.00 H new ATOM 945 N ASN A 776 -10.077 6.536 4.018 1.00 0.00 N ATOM 946 CA ASN A 776 -10.012 7.157 2.677 1.00 0.00 C ATOM 947 C ASN A 776 -8.851 8.134 2.578 1.00 0.00 C ATOM 948 O ASN A 776 -8.658 8.773 1.548 1.00 0.00 O ATOM 949 CB ASN A 776 -11.311 7.857 2.270 1.00 0.00 C ATOM 950 CG ASN A 776 -12.197 6.986 1.413 1.00 0.00 C ATOM 951 OD1 ASN A 776 -12.926 7.482 0.559 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.128 5.683 1.623 1.00 0.00 N ATOM 0 H ASN A 776 -9.590 5.641 4.067 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.856 6.334 1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.856 8.152 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.072 8.771 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.695 5.046 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.508 5.315 2.344 1.00 0.00 H new ATOM 959 N GLU A 777 -8.069 8.209 3.644 1.00 0.00 N ATOM 960 CA GLU A 777 -6.884 9.057 3.715 1.00 0.00 C ATOM 961 C GLU A 777 -5.994 8.568 4.843 1.00 0.00 C ATOM 962 O GLU A 777 -6.055 9.073 5.960 1.00 0.00 O ATOM 963 CB GLU A 777 -7.272 10.516 3.950 1.00 0.00 C ATOM 964 CG GLU A 777 -7.659 11.248 2.679 1.00 0.00 C ATOM 965 CD GLU A 777 -7.908 12.723 2.893 1.00 0.00 C ATOM 966 OE1 GLU A 777 -7.110 13.539 2.387 1.00 0.00 O ATOM 967 OE2 GLU A 777 -8.901 13.072 3.562 1.00 0.00 O ATOM 0 H GLU A 777 -8.240 7.676 4.497 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.348 9.000 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.106 10.554 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.437 11.035 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.867 11.123 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.557 10.791 2.264 1.00 0.00 H new ATOM 974 N TYR A 778 -5.167 7.584 4.550 1.00 0.00 N ATOM 975 CA TYR A 778 -4.432 6.887 5.602 1.00 0.00 C ATOM 976 C TYR A 778 -2.966 6.750 5.238 1.00 0.00 C ATOM 977 O TYR A 778 -2.628 6.381 4.119 1.00 0.00 O ATOM 978 CB TYR A 778 -5.062 5.515 5.878 1.00 0.00 C ATOM 979 CG TYR A 778 -4.321 4.680 6.903 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.497 4.897 8.264 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.453 3.668 6.507 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.829 4.132 9.200 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.781 2.899 7.439 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.972 3.135 8.783 1.00 0.00 C ATOM 985 OH TYR A 778 -2.307 2.369 9.715 1.00 0.00 O ATOM 0 H TYR A 778 -4.984 7.247 3.605 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.494 7.480 6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -6.087 5.661 6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.114 4.958 4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -5.167 5.677 8.595 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.301 3.480 5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.977 4.314 10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -2.110 2.117 7.115 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.744 1.711 9.256 1.00 0.00 H new ATOM 995 N VAL A 779 -2.093 7.068 6.175 1.00 0.00 N ATOM 996 CA VAL A 779 -0.673 6.963 5.928 1.00 0.00 C ATOM 997 C VAL A 779 -0.150 5.613 6.388 1.00 0.00 C ATOM 998 O VAL A 779 -0.169 5.287 7.575 1.00 0.00 O ATOM 999 CB VAL A 779 0.116 8.103 6.592 1.00 0.00 C ATOM 1000 CG1 VAL A 779 1.549 8.129 6.087 1.00 0.00 C ATOM 1001 CG2 VAL A 779 -0.559 9.433 6.331 1.00 0.00 C ATOM 0 H VAL A 779 -2.343 7.399 7.107 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.524 7.051 4.852 1.00 0.00 H new ATOM 0 HB VAL A 779 0.134 7.926 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 779 2.090 8.943 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 779 2.035 7.182 6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 779 1.552 8.281 5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 779 0.011 10.230 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -0.606 9.613 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -1.569 9.415 6.740 1.00 0.00 H new ATOM 1011 N ILE A 780 0.293 4.831 5.421 1.00 0.00 N ATOM 1012 CA ILE A 780 0.787 3.485 5.654 1.00 0.00 C ATOM 1013 C ILE A 780 2.217 3.522 6.180 1.00 0.00 C ATOM 1014 O ILE A 780 2.989 4.417 5.842 1.00 0.00 O ATOM 1015 CB ILE A 780 0.743 2.671 4.344 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.690 2.433 3.893 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.475 1.344 4.473 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.753 1.682 2.588 1.00 0.00 C ATOM 0 H ILE A 780 0.321 5.115 4.442 1.00 0.00 H new ATOM 0 HA ILE A 780 0.148 3.010 6.399 1.00 0.00 H new ATOM 0 HB ILE A 780 1.256 3.266 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.223 1.872 4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.200 3.390 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.419 0.804 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.520 1.528 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.012 0.748 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.795 1.534 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.243 2.255 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.267 0.713 2.702 1.00 0.00 H new ATOM 1030 N LYS A 781 2.559 2.563 7.019 1.00 0.00 N ATOM 1031 CA LYS A 781 3.921 2.431 7.509 1.00 0.00 C ATOM 1032 C LYS A 781 4.490 1.101 7.066 1.00 0.00 C ATOM 1033 O LYS A 781 4.191 0.059 7.650 1.00 0.00 O ATOM 1034 CB LYS A 781 3.995 2.546 9.038 1.00 0.00 C ATOM 1035 CG LYS A 781 3.982 3.977 9.572 1.00 0.00 C ATOM 1036 CD LYS A 781 2.665 4.685 9.298 1.00 0.00 C ATOM 1037 CE LYS A 781 1.535 4.102 10.132 1.00 0.00 C ATOM 1038 NZ LYS A 781 1.628 4.501 11.560 1.00 0.00 N ATOM 0 H LYS A 781 1.911 1.861 7.377 1.00 0.00 H new ATOM 0 HA LYS A 781 4.508 3.248 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.154 2.004 9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 781 4.904 2.052 9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.167 3.963 10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 781 4.796 4.540 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 781 2.769 5.748 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.419 4.600 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 781 0.579 4.432 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 781 1.555 3.015 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 0.785 4.167 12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 2.479 4.079 11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 1.685 5.537 11.628 1.00 0.00 H new ATOM 1052 N THR A 782 5.296 1.138 6.021 1.00 0.00 N ATOM 1053 CA THR A 782 5.899 -0.066 5.507 1.00 0.00 C ATOM 1054 C THR A 782 6.943 -0.574 6.489 1.00 0.00 C ATOM 1055 O THR A 782 7.741 0.213 7.022 1.00 0.00 O ATOM 1056 CB THR A 782 6.535 0.164 4.131 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.502 1.216 4.189 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.477 0.504 3.116 1.00 0.00 C ATOM 0 H THR A 782 5.544 1.989 5.516 1.00 0.00 H new ATOM 0 HA THR A 782 5.115 -0.814 5.387 1.00 0.00 H new ATOM 0 HB THR A 782 7.036 -0.757 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.359 0.892 3.841 1.00 0.00 H new ATOM 0 HG21 THR A 782 5.943 0.665 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 782 4.764 -0.317 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 782 4.957 1.411 3.423 1.00 0.00 H new ATOM 1066 N PRO A 783 6.941 -1.890 6.754 1.00 0.00 N ATOM 1067 CA PRO A 783 7.829 -2.500 7.742 1.00 0.00 C ATOM 1068 C PRO A 783 9.287 -2.328 7.354 1.00 0.00 C ATOM 1069 O PRO A 783 9.605 -2.137 6.177 1.00 0.00 O ATOM 1070 CB PRO A 783 7.433 -3.984 7.724 1.00 0.00 C ATOM 1071 CG PRO A 783 6.092 -4.020 7.075 1.00 0.00 C ATOM 1072 CD PRO A 783 6.098 -2.893 6.088 1.00 0.00 C ATOM 0 HA PRO A 783 7.730 -2.045 8.727 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.157 -4.578 7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 783 7.394 -4.394 8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 783 5.921 -4.976 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.296 -3.895 7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.512 -3.198 5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.093 -2.516 5.897 1.00 0.00 H new ATOM 1080 N VAL A 784 10.166 -2.383 8.343 1.00 0.00 N ATOM 1081 CA VAL A 784 11.580 -2.186 8.112 1.00 0.00 C ATOM 1082 C VAL A 784 12.094 -3.219 7.112 1.00 0.00 C ATOM 1083 O VAL A 784 11.869 -4.421 7.256 1.00 0.00 O ATOM 1084 CB VAL A 784 12.377 -2.261 9.429 1.00 0.00 C ATOM 1085 CG1 VAL A 784 12.279 -3.645 10.040 1.00 0.00 C ATOM 1086 CG2 VAL A 784 13.824 -1.860 9.205 1.00 0.00 C ATOM 0 H VAL A 784 9.919 -2.564 9.316 1.00 0.00 H new ATOM 0 HA VAL A 784 11.723 -1.189 7.696 1.00 0.00 H new ATOM 0 HB VAL A 784 11.940 -1.554 10.134 1.00 0.00 H new ATOM 0 HG11 VAL A 784 12.849 -3.674 10.969 1.00 0.00 H new ATOM 0 HG12 VAL A 784 11.235 -3.878 10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 784 12.683 -4.380 9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 784 14.368 -1.920 10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 784 14.280 -2.533 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 784 13.864 -0.838 8.827 1.00 0.00 H new ATOM 1096 N PHE A 785 12.757 -2.735 6.085 1.00 0.00 N ATOM 1097 CA PHE A 785 13.158 -3.577 4.971 1.00 0.00 C ATOM 1098 C PHE A 785 14.426 -4.332 5.280 1.00 0.00 C ATOM 1099 O PHE A 785 14.615 -5.451 4.807 1.00 0.00 O ATOM 1100 CB PHE A 785 13.310 -2.735 3.709 1.00 0.00 C ATOM 1101 CG PHE A 785 12.029 -2.055 3.319 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.081 -2.722 2.563 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.766 -0.754 3.720 1.00 0.00 C ATOM 1104 CE1 PHE A 785 9.896 -2.106 2.213 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.583 -0.133 3.372 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.647 -0.811 2.617 1.00 0.00 C ATOM 0 H PHE A 785 13.033 -1.757 5.995 1.00 0.00 H new ATOM 0 HA PHE A 785 12.377 -4.318 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.084 -1.984 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 785 13.645 -3.370 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.270 -3.736 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.495 -0.220 4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.164 -2.638 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.390 0.881 3.690 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.721 -0.328 2.343 1.00 0.00 H new ATOM 1116 N THR A 786 15.286 -3.706 6.084 1.00 0.00 N ATOM 1117 CA THR A 786 16.558 -4.293 6.532 1.00 0.00 C ATOM 1118 C THR A 786 17.446 -4.707 5.363 1.00 0.00 C ATOM 1119 O THR A 786 18.526 -5.255 5.558 1.00 0.00 O ATOM 1120 CB THR A 786 16.341 -5.501 7.476 1.00 0.00 C ATOM 1121 OG1 THR A 786 15.752 -6.608 6.780 1.00 0.00 O ATOM 1122 CG2 THR A 786 15.439 -5.103 8.626 1.00 0.00 C ATOM 0 H THR A 786 15.121 -2.768 6.448 1.00 0.00 H new ATOM 0 HA THR A 786 17.068 -3.506 7.088 1.00 0.00 H new ATOM 0 HB THR A 786 17.317 -5.806 7.854 1.00 0.00 H new ATOM 0 HG1 THR A 786 15.605 -6.364 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 786 15.291 -5.958 9.285 1.00 0.00 H new ATOM 0 HG22 THR A 786 15.900 -4.289 9.185 1.00 0.00 H new ATOM 0 HG23 THR A 786 14.475 -4.775 8.236 1.00 0.00 H new ATOM 1130 N THR A 787 16.982 -4.439 4.153 1.00 0.00 N ATOM 1131 CA THR A 787 17.722 -4.790 2.954 1.00 0.00 C ATOM 1132 C THR A 787 17.626 -3.686 1.909 1.00 0.00 C ATOM 1133 O THR A 787 16.529 -3.271 1.543 1.00 0.00 O ATOM 1134 CB THR A 787 17.195 -6.094 2.341 1.00 0.00 C ATOM 1135 OG1 THR A 787 17.061 -7.108 3.350 1.00 0.00 O ATOM 1136 CG2 THR A 787 18.121 -6.589 1.240 1.00 0.00 C ATOM 0 H THR A 787 16.090 -3.976 3.976 1.00 0.00 H new ATOM 0 HA THR A 787 18.763 -4.922 3.249 1.00 0.00 H new ATOM 0 HB THR A 787 16.216 -5.887 1.910 1.00 0.00 H new ATOM 0 HG1 THR A 787 16.722 -7.932 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 787 17.726 -7.515 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 787 18.189 -5.835 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.113 -6.772 1.654 1.00 0.00 H new ATOM 1144 N GLY A 788 18.776 -3.172 1.478 1.00 0.00 N ATOM 1145 CA GLY A 788 18.806 -2.309 0.321 1.00 0.00 C ATOM 1146 C GLY A 788 18.258 -2.990 -0.920 1.00 0.00 C ATOM 1147 O GLY A 788 18.860 -3.927 -1.449 1.00 0.00 O ATOM 0 H GLY A 788 19.683 -3.341 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.225 -1.410 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 788 19.832 -1.990 0.135 1.00 0.00 H new ATOM 1151 N GLY A 789 17.111 -2.517 -1.361 1.00 0.00 N ATOM 1152 CA GLY A 789 16.465 -3.037 -2.541 1.00 0.00 C ATOM 1153 C GLY A 789 15.359 -2.109 -2.979 1.00 0.00 C ATOM 1154 O GLY A 789 14.981 -1.209 -2.230 1.00 0.00 O ATOM 0 H GLY A 789 16.601 -1.759 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.194 -3.151 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.059 -4.028 -2.336 1.00 0.00 H new ATOM 1158 N ASP A 790 14.840 -2.297 -4.177 1.00 0.00 N ATOM 1159 CA ASP A 790 13.779 -1.435 -4.671 1.00 0.00 C ATOM 1160 C ASP A 790 12.439 -2.116 -4.485 1.00 0.00 C ATOM 1161 O ASP A 790 12.273 -3.286 -4.836 1.00 0.00 O ATOM 1162 CB ASP A 790 13.986 -1.080 -6.144 1.00 0.00 C ATOM 1163 CG ASP A 790 15.101 -0.079 -6.370 1.00 0.00 C ATOM 1164 OD1 ASP A 790 14.825 0.999 -6.937 1.00 0.00 O ATOM 1165 OD2 ASP A 790 16.259 -0.370 -6.001 1.00 0.00 O ATOM 0 H ASP A 790 15.131 -3.031 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 790 13.801 -0.508 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 790 14.206 -1.990 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.057 -0.676 -6.547 1.00 0.00 H new ATOM 1170 N TYR A 791 11.495 -1.390 -3.918 1.00 0.00 N ATOM 1171 CA TYR A 791 10.176 -1.928 -3.649 1.00 0.00 C ATOM 1172 C TYR A 791 9.100 -1.071 -4.293 1.00 0.00 C ATOM 1173 O TYR A 791 9.287 0.121 -4.524 1.00 0.00 O ATOM 1174 CB TYR A 791 9.925 -2.018 -2.141 1.00 0.00 C ATOM 1175 CG TYR A 791 10.898 -2.910 -1.404 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.111 -2.415 -0.951 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.602 -4.245 -1.162 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.006 -3.223 -0.278 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.491 -5.061 -0.488 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.692 -4.545 -0.049 1.00 0.00 C ATOM 1181 OH TYR A 791 13.580 -5.354 0.624 1.00 0.00 O ATOM 0 H TYR A 791 11.619 -0.419 -3.633 1.00 0.00 H new ATOM 0 HA TYR A 791 10.133 -2.929 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 791 9.974 -1.016 -1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.913 -2.386 -1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.360 -1.379 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.663 -4.652 -1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 791 13.947 -2.821 0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 791 11.246 -6.097 -0.306 1.00 0.00 H new ATOM 0 HH TYR A 791 13.206 -6.256 0.703 1.00 0.00 H new ATOM 1191 N ILE A 792 7.983 -1.700 -4.589 1.00 0.00 N ATOM 1192 CA ILE A 792 6.825 -1.038 -5.128 1.00 0.00 C ATOM 1193 C ILE A 792 5.605 -1.450 -4.327 1.00 0.00 C ATOM 1194 O ILE A 792 5.218 -2.618 -4.318 1.00 0.00 O ATOM 1195 CB ILE A 792 6.634 -1.402 -6.614 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.648 -0.654 -7.476 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.212 -1.108 -7.072 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.153 -1.455 -8.649 1.00 0.00 C ATOM 0 H ILE A 792 7.857 -2.704 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 792 6.963 0.041 -5.060 1.00 0.00 H new ATOM 0 HB ILE A 792 6.804 -2.473 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.191 0.265 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.495 -0.362 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.106 -1.374 -8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.510 -1.692 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.000 -0.046 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 792 8.869 -0.859 -9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.640 -2.361 -8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.316 -1.724 -9.293 1.00 0.00 H new ATOM 1210 N LEU A 793 5.023 -0.503 -3.626 1.00 0.00 N ATOM 1211 CA LEU A 793 3.816 -0.773 -2.895 1.00 0.00 C ATOM 1212 C LEU A 793 2.634 -0.619 -3.834 1.00 0.00 C ATOM 1213 O LEU A 793 2.297 0.482 -4.269 1.00 0.00 O ATOM 1214 CB LEU A 793 3.683 0.136 -1.670 1.00 0.00 C ATOM 1215 CG LEU A 793 2.419 -0.087 -0.840 1.00 0.00 C ATOM 1216 CD1 LEU A 793 1.994 -1.523 -0.892 1.00 0.00 C ATOM 1217 CD2 LEU A 793 2.580 0.402 0.593 1.00 0.00 C ATOM 0 H LEU A 793 5.367 0.454 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 793 3.846 -1.795 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.552 -0.012 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.705 1.174 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 793 1.625 0.514 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.093 -1.658 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.790 -1.805 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.790 -2.153 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 793 1.657 0.223 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 793 3.399 -0.136 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 793 2.800 1.470 0.591 1.00 0.00 H new ATOM 1229 N SER A 794 2.022 -1.744 -4.130 1.00 0.00 N ATOM 1230 CA SER A 794 0.964 -1.825 -5.112 1.00 0.00 C ATOM 1231 C SER A 794 -0.277 -2.443 -4.481 1.00 0.00 C ATOM 1232 O SER A 794 -0.183 -3.149 -3.476 1.00 0.00 O ATOM 1233 CB SER A 794 1.440 -2.649 -6.313 1.00 0.00 C ATOM 1234 OG SER A 794 2.130 -3.820 -5.893 1.00 0.00 O ATOM 0 H SER A 794 2.247 -2.637 -3.691 1.00 0.00 H new ATOM 0 HA SER A 794 0.707 -0.825 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 794 0.584 -2.929 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 794 2.096 -2.042 -6.937 1.00 0.00 H new ATOM 0 HG SER A 794 2.421 -4.328 -6.679 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.429 -2.178 -5.064 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.692 -2.611 -4.487 1.00 0.00 C ATOM 1242 C LEU A 795 -3.025 -4.036 -4.902 1.00 0.00 C ATOM 1243 O LEU A 795 -2.923 -4.387 -6.078 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.801 -1.674 -4.936 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.530 -0.196 -4.700 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.653 0.629 -5.283 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -3.374 0.080 -3.214 1.00 0.00 C ATOM 0 H LEU A 795 -1.520 -1.663 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.602 -2.586 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -3.979 -1.830 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.719 -1.947 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.600 0.081 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.454 1.687 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.723 0.442 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.593 0.354 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -3.180 1.141 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -4.289 -0.201 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.540 -0.502 -2.821 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.426 -4.852 -3.933 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.773 -6.238 -4.206 1.00 0.00 C ATOM 1261 C VAL A 796 -5.267 -6.387 -4.405 1.00 0.00 C ATOM 1262 O VAL A 796 -5.721 -6.863 -5.447 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.311 -7.178 -3.073 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.837 -8.594 -3.279 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.806 -7.182 -3.024 1.00 0.00 C ATOM 0 H VAL A 796 -3.518 -4.577 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.254 -6.522 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.712 -6.814 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.494 -9.232 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -4.927 -8.579 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.467 -8.985 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.470 -7.844 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.412 -7.534 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.445 -6.171 -2.833 1.00 0.00 H new ATOM 1275 N SER A 797 -6.025 -5.936 -3.424 1.00 0.00 N ATOM 1276 CA SER A 797 -7.457 -6.137 -3.428 1.00 0.00 C ATOM 1277 C SER A 797 -8.083 -5.446 -2.224 1.00 0.00 C ATOM 1278 O SER A 797 -7.401 -5.156 -1.245 1.00 0.00 O ATOM 1279 CB SER A 797 -7.755 -7.639 -3.395 1.00 0.00 C ATOM 1280 OG SER A 797 -7.308 -8.226 -2.183 1.00 0.00 O ATOM 0 H SER A 797 -5.670 -5.428 -2.614 1.00 0.00 H new ATOM 0 HA SER A 797 -7.884 -5.706 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 797 -8.827 -7.802 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 797 -7.268 -8.127 -4.239 1.00 0.00 H new ATOM 0 HG SER A 797 -7.513 -9.184 -2.189 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.366 -5.163 -2.310 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.095 -4.579 -1.197 1.00 0.00 C ATOM 1288 C ILE A 798 -11.368 -5.377 -0.987 1.00 0.00 C ATOM 1289 O ILE A 798 -11.757 -6.147 -1.853 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.426 -3.096 -1.457 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.763 -2.382 -0.150 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.588 -2.993 -2.425 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.494 -0.894 -0.187 1.00 0.00 C ATOM 0 H ILE A 798 -9.931 -5.328 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.474 -4.617 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.552 -2.613 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.815 -2.547 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.183 -2.828 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -11.819 -1.943 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.321 -3.473 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.461 -3.488 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.756 -0.453 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.437 -0.720 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.094 -0.435 -0.973 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.004 -5.226 0.151 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.200 -5.989 0.433 1.00 0.00 C ATOM 1307 C LYS A 799 -14.240 -5.148 1.158 1.00 0.00 C ATOM 1308 O LYS A 799 -13.958 -4.541 2.191 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.840 -7.233 1.242 1.00 0.00 C ATOM 1310 CG LYS A 799 -13.946 -7.700 2.164 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.434 -8.641 3.236 1.00 0.00 C ATOM 1312 CE LYS A 799 -13.092 -9.999 2.663 1.00 0.00 C ATOM 1313 NZ LYS A 799 -12.637 -10.952 3.711 1.00 0.00 N ATOM 0 H LYS A 799 -11.717 -4.587 0.893 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.642 -6.299 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.586 -8.041 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -11.949 -7.025 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -14.415 -6.836 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.717 -8.202 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.551 -8.211 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -14.189 -8.753 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -13.966 -10.408 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -12.311 -9.888 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -12.414 -11.869 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -11.787 -10.575 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -13.391 -11.079 4.416 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.437 -5.111 0.592 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.576 -4.459 1.222 1.00 0.00 C ATOM 1329 C ASP A 800 -16.954 -5.210 2.491 1.00 0.00 C ATOM 1330 O ASP A 800 -16.672 -6.401 2.608 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.758 -4.427 0.248 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.017 -3.858 0.868 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.970 -4.632 1.091 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.058 -2.640 1.141 1.00 0.00 O ATOM 0 H ASP A 800 -15.646 -5.530 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.312 -3.434 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.488 -3.832 -0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -17.958 -5.438 -0.106 1.00 0.00 H new ATOM 1339 N SER A 801 -17.604 -4.507 3.419 1.00 0.00 N ATOM 1340 CA SER A 801 -17.879 -5.014 4.765 1.00 0.00 C ATOM 1341 C SER A 801 -18.706 -6.301 4.762 1.00 0.00 C ATOM 1342 O SER A 801 -18.857 -6.951 5.797 1.00 0.00 O ATOM 1343 CB SER A 801 -18.599 -3.937 5.573 1.00 0.00 C ATOM 1344 OG SER A 801 -19.699 -3.411 4.852 1.00 0.00 O ATOM 0 H SER A 801 -17.957 -3.564 3.257 1.00 0.00 H new ATOM 0 HA SER A 801 -16.920 -5.259 5.221 1.00 0.00 H new ATOM 0 HB2 SER A 801 -18.946 -4.357 6.517 1.00 0.00 H new ATOM 0 HB3 SER A 801 -17.903 -3.135 5.818 1.00 0.00 H new ATOM 0 HG SER A 801 -20.145 -2.724 5.391 1.00 0.00 H new ATOM 1350 N THR A 802 -19.231 -6.668 3.603 1.00 0.00 N ATOM 1351 CA THR A 802 -20.020 -7.880 3.463 1.00 0.00 C ATOM 1352 C THR A 802 -19.150 -9.022 2.946 1.00 0.00 C ATOM 1353 O THR A 802 -19.642 -10.095 2.597 1.00 0.00 O ATOM 1354 CB THR A 802 -21.196 -7.648 2.499 1.00 0.00 C ATOM 1355 OG1 THR A 802 -20.706 -7.103 1.263 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.215 -6.696 3.108 1.00 0.00 C ATOM 0 H THR A 802 -19.123 -6.137 2.739 1.00 0.00 H new ATOM 0 HA THR A 802 -20.413 -8.147 4.444 1.00 0.00 H new ATOM 0 HB THR A 802 -21.684 -8.605 2.312 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.675 -6.126 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.037 -6.547 2.408 1.00 0.00 H new ATOM 0 HG22 THR A 802 -22.600 -7.120 4.036 1.00 0.00 H new ATOM 0 HG23 THR A 802 -21.739 -5.738 3.317 1.00 0.00 H new ATOM 1364 N GLY A 803 -17.849 -8.768 2.900 1.00 0.00 N ATOM 1365 CA GLY A 803 -16.903 -9.742 2.404 1.00 0.00 C ATOM 1366 C GLY A 803 -16.925 -9.837 0.895 1.00 0.00 C ATOM 1367 O GLY A 803 -16.860 -10.928 0.337 1.00 0.00 O ATOM 0 H GLY A 803 -17.429 -7.889 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -15.900 -9.474 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.130 -10.718 2.832 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.017 -8.690 0.235 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.009 -8.652 -1.226 1.00 0.00 C ATOM 1373 C CYS A 804 -15.703 -8.043 -1.727 1.00 0.00 C ATOM 1374 O CYS A 804 -15.456 -6.853 -1.539 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.201 -7.851 -1.754 1.00 0.00 C ATOM 1376 SG CYS A 804 -19.812 -8.497 -1.245 1.00 0.00 S ATOM 0 H CYS A 804 -17.098 -7.777 0.683 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.091 -9.673 -1.598 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -18.111 -6.820 -1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.158 -7.831 -2.843 1.00 0.00 H new ATOM 0 HG CYS A 804 -20.275 -7.783 -0.262 1.00 0.00 H new ATOM 1382 N VAL A 805 -14.872 -8.859 -2.360 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.550 -8.420 -2.783 1.00 0.00 C ATOM 1384 C VAL A 805 -13.590 -7.746 -4.158 1.00 0.00 C ATOM 1385 O VAL A 805 -14.315 -8.170 -5.061 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.548 -9.605 -2.797 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -12.941 -10.651 -3.831 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -11.127 -9.118 -3.039 1.00 0.00 C ATOM 0 H VAL A 805 -15.090 -9.828 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.210 -7.682 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.584 -10.075 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.219 -11.467 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -13.932 -11.039 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -12.953 -10.197 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.446 -9.969 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -11.076 -8.607 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -10.839 -8.428 -2.246 1.00 0.00 H new ATOM 1398 N VAL A 806 -12.826 -6.675 -4.279 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.684 -5.932 -5.517 1.00 0.00 C ATOM 1400 C VAL A 806 -11.225 -5.954 -5.961 1.00 0.00 C ATOM 1401 O VAL A 806 -10.321 -5.713 -5.154 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.153 -4.466 -5.344 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -12.760 -3.612 -6.541 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.656 -4.407 -5.128 1.00 0.00 C ATOM 0 H VAL A 806 -12.279 -6.292 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.309 -6.404 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 806 -12.654 -4.062 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.104 -2.589 -6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.676 -3.617 -6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.218 -4.017 -7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -14.966 -3.369 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.165 -4.841 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -14.917 -4.969 -4.231 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.006 -6.265 -7.230 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.656 -6.296 -7.766 1.00 0.00 C ATOM 1416 C GLY A 807 -9.089 -4.904 -7.941 1.00 0.00 C ATOM 1417 O GLY A 807 -9.577 -4.127 -8.762 1.00 0.00 O ATOM 0 H GLY A 807 -11.738 -6.497 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.013 -6.869 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.658 -6.811 -8.727 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.057 -4.585 -7.173 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.517 -3.236 -7.149 1.00 0.00 C ATOM 1423 C LEU A 808 -6.510 -2.989 -8.261 1.00 0.00 C ATOM 1424 O LEU A 808 -5.522 -3.711 -8.396 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.867 -2.958 -5.801 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.819 -2.951 -4.615 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -7.104 -2.450 -3.377 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -9.048 -2.124 -4.923 1.00 0.00 C ATOM 0 H LEU A 808 -7.578 -5.243 -6.559 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.354 -2.556 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.097 -3.709 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.365 -1.992 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.153 -3.970 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.794 -2.449 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -6.260 -3.103 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.742 -1.437 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.717 -2.131 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.751 -1.099 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.563 -2.545 -5.786 1.00 0.00 H new ATOM 1440 N SER A 809 -6.772 -1.962 -9.052 1.00 0.00 N ATOM 1441 CA SER A 809 -5.823 -1.494 -10.042 1.00 0.00 C ATOM 1442 C SER A 809 -5.816 0.034 -10.050 1.00 0.00 C ATOM 1443 O SER A 809 -6.545 0.676 -10.810 1.00 0.00 O ATOM 1444 CB SER A 809 -6.184 -2.042 -11.426 1.00 0.00 C ATOM 1445 OG SER A 809 -5.164 -1.769 -12.373 1.00 0.00 O ATOM 0 H SER A 809 -7.644 -1.433 -9.025 1.00 0.00 H new ATOM 0 HA SER A 809 -4.826 -1.853 -9.788 1.00 0.00 H new ATOM 0 HB2 SER A 809 -6.345 -3.118 -11.362 1.00 0.00 H new ATOM 0 HB3 SER A 809 -7.122 -1.599 -11.761 1.00 0.00 H new ATOM 0 HG SER A 809 -5.422 -2.132 -13.246 1.00 0.00 H new ATOM 1451 N GLN A 810 -5.001 0.601 -9.173 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.866 2.047 -9.045 1.00 0.00 C ATOM 1453 C GLN A 810 -3.421 2.405 -8.649 1.00 0.00 C ATOM 1454 O GLN A 810 -2.624 1.494 -8.410 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.918 2.570 -8.058 1.00 0.00 C ATOM 1456 CG GLN A 810 -7.067 3.286 -8.762 1.00 0.00 C ATOM 1457 CD GLN A 810 -8.322 3.397 -7.919 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -9.206 2.544 -7.990 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -8.409 4.450 -7.128 1.00 0.00 N ATOM 0 H GLN A 810 -4.413 0.072 -8.529 1.00 0.00 H new ATOM 0 HA GLN A 810 -5.054 2.539 -9.999 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -6.314 1.737 -7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -5.444 3.254 -7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.741 4.287 -9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.305 2.755 -9.684 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -7.651 5.132 -7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -9.234 4.582 -6.543 1.00 0.00 H new ATOM 1468 N PRO A 811 -3.050 3.710 -8.607 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.655 4.160 -8.385 1.00 0.00 C ATOM 1470 C PRO A 811 -0.881 3.421 -7.282 1.00 0.00 C ATOM 1471 O PRO A 811 -1.432 3.046 -6.243 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.838 5.623 -7.994 1.00 0.00 C ATOM 1473 CG PRO A 811 -3.037 6.060 -8.755 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.948 4.864 -8.832 1.00 0.00 C ATOM 0 HA PRO A 811 -1.054 3.971 -9.274 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.987 5.732 -6.920 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.962 6.217 -8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.531 6.894 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.761 6.403 -9.752 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.733 4.911 -8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.442 4.801 -9.802 1.00 0.00 H new ATOM 1482 N ASP A 812 0.417 3.245 -7.538 1.00 0.00 N ATOM 1483 CA ASP A 812 1.341 2.564 -6.626 1.00 0.00 C ATOM 1484 C ASP A 812 2.409 3.524 -6.135 1.00 0.00 C ATOM 1485 O ASP A 812 2.543 4.638 -6.644 1.00 0.00 O ATOM 1486 CB ASP A 812 2.047 1.391 -7.310 1.00 0.00 C ATOM 1487 CG ASP A 812 2.898 1.822 -8.493 1.00 0.00 C ATOM 1488 OD1 ASP A 812 4.109 2.087 -8.309 1.00 0.00 O ATOM 1489 OD2 ASP A 812 2.357 1.904 -9.615 1.00 0.00 O ATOM 0 H ASP A 812 0.862 3.575 -8.394 1.00 0.00 H new ATOM 0 HA ASP A 812 0.743 2.194 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.677 0.879 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.301 0.672 -7.648 1.00 0.00 H new ATOM 1494 N ALA A 813 3.159 3.087 -5.142 1.00 0.00 N ATOM 1495 CA ALA A 813 4.285 3.862 -4.633 1.00 0.00 C ATOM 1496 C ALA A 813 5.566 3.065 -4.769 1.00 0.00 C ATOM 1497 O ALA A 813 5.529 1.846 -4.899 1.00 0.00 O ATOM 1498 CB ALA A 813 4.081 4.249 -3.179 1.00 0.00 C ATOM 0 H ALA A 813 3.012 2.196 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 813 4.354 4.776 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.939 4.825 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.177 4.851 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 813 3.980 3.348 -2.573 1.00 0.00 H new ATOM 1504 N LYS A 814 6.693 3.743 -4.739 1.00 0.00 N ATOM 1505 CA LYS A 814 7.971 3.072 -4.808 1.00 0.00 C ATOM 1506 C LYS A 814 8.830 3.433 -3.611 1.00 0.00 C ATOM 1507 O LYS A 814 8.920 4.591 -3.213 1.00 0.00 O ATOM 1508 CB LYS A 814 8.678 3.406 -6.119 1.00 0.00 C ATOM 1509 CG LYS A 814 8.072 2.683 -7.308 1.00 0.00 C ATOM 1510 CD LYS A 814 8.538 3.271 -8.628 1.00 0.00 C ATOM 1511 CE LYS A 814 7.851 2.601 -9.810 1.00 0.00 C ATOM 1512 NZ LYS A 814 6.377 2.820 -9.814 1.00 0.00 N ATOM 0 H LYS A 814 6.749 4.759 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 814 7.801 1.996 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.631 4.482 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.732 3.142 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 814 8.341 1.627 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 814 6.985 2.738 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 814 8.331 4.341 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.618 3.154 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 814 8.274 2.986 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 814 8.056 1.531 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 5.985 2.525 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 5.941 2.260 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 6.175 3.829 -9.660 1.00 0.00 H new ATOM 1526 N ILE A 815 9.430 2.419 -3.031 1.00 0.00 N ATOM 1527 CA ILE A 815 10.290 2.580 -1.877 1.00 0.00 C ATOM 1528 C ILE A 815 11.677 2.048 -2.217 1.00 0.00 C ATOM 1529 O ILE A 815 11.870 0.842 -2.350 1.00 0.00 O ATOM 1530 CB ILE A 815 9.746 1.821 -0.640 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.345 2.313 -0.244 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.701 1.959 0.533 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.206 1.555 -0.902 1.00 0.00 C ATOM 0 H ILE A 815 9.336 1.454 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 815 10.329 3.641 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 815 9.666 0.768 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.239 2.237 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.258 3.369 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.302 1.420 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.672 1.544 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.815 3.013 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.254 1.967 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.283 1.651 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.263 0.502 -0.627 1.00 0.00 H new ATOM 1545 N GLN A 816 12.635 2.941 -2.371 1.00 0.00 N ATOM 1546 CA GLN A 816 13.974 2.543 -2.774 1.00 0.00 C ATOM 1547 C GLN A 816 14.904 2.501 -1.565 1.00 0.00 C ATOM 1548 O GLN A 816 15.307 3.534 -1.034 1.00 0.00 O ATOM 1549 CB GLN A 816 14.517 3.501 -3.832 1.00 0.00 C ATOM 1550 CG GLN A 816 15.824 3.040 -4.455 1.00 0.00 C ATOM 1551 CD GLN A 816 17.036 3.763 -3.902 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.437 4.804 -4.415 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.633 3.214 -2.859 1.00 0.00 N ATOM 0 H GLN A 816 12.514 3.943 -2.225 1.00 0.00 H new ATOM 0 HA GLN A 816 13.924 1.543 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.772 3.621 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.665 4.482 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 816 15.941 1.969 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.779 3.192 -5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.270 2.348 -2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.457 3.656 -2.452 1.00 0.00 H new ATOM 1562 N VAL A 817 15.262 1.302 -1.155 1.00 0.00 N ATOM 1563 CA VAL A 817 16.132 1.107 -0.007 1.00 0.00 C ATOM 1564 C VAL A 817 17.540 0.793 -0.491 1.00 0.00 C ATOM 1565 O VAL A 817 17.707 0.196 -1.552 1.00 0.00 O ATOM 1566 CB VAL A 817 15.615 -0.038 0.892 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.220 0.034 2.284 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.099 -0.009 0.966 1.00 0.00 C ATOM 0 H VAL A 817 14.961 0.437 -1.604 1.00 0.00 H new ATOM 0 HA VAL A 817 16.141 2.022 0.585 1.00 0.00 H new ATOM 0 HB VAL A 817 15.926 -0.982 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 817 15.835 -0.786 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.305 -0.045 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 817 15.954 0.984 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 817 13.750 -0.822 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 817 13.773 0.944 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.684 -0.128 -0.035 1.00 0.00 H new ATOM 1578 N ARG A 818 18.550 1.224 0.246 1.00 0.00 N ATOM 1579 CA ARG A 818 19.924 0.992 -0.171 1.00 0.00 C ATOM 1580 C ARG A 818 20.828 0.646 1.000 1.00 0.00 C ATOM 1581 O ARG A 818 20.825 1.311 2.028 1.00 0.00 O ATOM 1582 CB ARG A 818 20.464 2.225 -0.908 1.00 0.00 C ATOM 1583 CG ARG A 818 21.965 2.192 -1.158 1.00 0.00 C ATOM 1584 CD ARG A 818 22.341 1.126 -2.168 1.00 0.00 C ATOM 1585 NE ARG A 818 23.784 0.904 -2.210 1.00 0.00 N ATOM 1586 CZ ARG A 818 24.389 0.065 -3.043 1.00 0.00 C ATOM 1587 NH1 ARG A 818 23.682 -0.625 -3.930 1.00 0.00 N ATOM 1588 NH2 ARG A 818 25.703 -0.090 -2.972 1.00 0.00 N ATOM 0 H ARG A 818 18.448 1.730 1.126 1.00 0.00 H new ATOM 0 HA ARG A 818 19.921 0.135 -0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 818 19.949 2.318 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.223 3.116 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 818 22.296 3.167 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.486 2.004 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.837 0.193 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 818 21.990 1.422 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 818 24.366 1.428 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 818 22.669 -0.512 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 818 24.152 -1.268 -4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 818 26.242 0.433 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 818 26.176 -0.732 -3.608 1.00 0.00 H new