USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 750 TYR OH : rot 157:sc= -2.1! USER MOD Single : A 758 THR OG1 : rot -96:sc= -0.324 USER MOD Single : A 760 SER OG : rot 170:sc= 0.00295 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 769 GLN :FLIP amide:sc= -0.462 F(o=-2,f=-0.46) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1.4!) USER MOD Single : A 782 MET CE :methyl 166:sc= -9.16! (180deg=-9.61!) USER MOD Single : A 786 MET CE :methyl 166:sc= -5.47! (180deg=-5.92!) USER MOD Single : A 788 MET CE :methyl 161:sc= -0.237 (180deg=-0.967) USER MOD Single : A 793 THR OG1 : rot 150:sc= -1.93! USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.8!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.0816 K(o=-0.082,f=-1.6!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.629 -0.556 7.318 1.00 0.00 N ATOM 37 CA GLY A 743 7.250 -0.470 6.874 1.00 0.00 C ATOM 38 C GLY A 743 6.307 -0.035 7.980 1.00 0.00 C ATOM 39 O GLY A 743 5.437 -0.799 8.399 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.182 0.235 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.934 -1.441 6.493 1.00 0.00 H new ATOM 43 N SER A 744 6.477 1.196 8.452 1.00 0.00 N ATOM 44 CA SER A 744 5.631 1.735 9.512 1.00 0.00 C ATOM 45 C SER A 744 4.936 3.006 9.046 1.00 0.00 C ATOM 46 O SER A 744 3.708 3.073 8.986 1.00 0.00 O ATOM 47 CB SER A 744 6.463 2.022 10.764 1.00 0.00 C ATOM 48 OG SER A 744 7.626 1.214 10.800 1.00 0.00 O ATOM 0 H SER A 744 7.194 1.840 8.117 1.00 0.00 H new ATOM 0 HA SER A 744 4.872 0.991 9.756 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.747 3.074 10.782 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.861 1.839 11.654 1.00 0.00 H new ATOM 0 HG SER A 744 8.141 1.418 11.608 1.00 0.00 H new ATOM 54 N GLU A 745 5.735 4.005 8.706 1.00 0.00 N ATOM 55 CA GLU A 745 5.214 5.280 8.228 1.00 0.00 C ATOM 56 C GLU A 745 6.134 5.862 7.166 1.00 0.00 C ATOM 57 O GLU A 745 5.690 6.247 6.085 1.00 0.00 O ATOM 58 CB GLU A 745 5.055 6.269 9.382 1.00 0.00 C ATOM 59 CG GLU A 745 4.266 7.512 9.004 1.00 0.00 C ATOM 60 CD GLU A 745 3.058 7.731 9.892 1.00 0.00 C ATOM 61 OE1 GLU A 745 3.234 7.815 11.125 1.00 0.00 O ATOM 62 OE2 GLU A 745 1.934 7.820 9.354 1.00 0.00 O ATOM 0 H GLU A 745 6.753 3.959 8.752 1.00 0.00 H new ATOM 0 HA GLU A 745 4.233 5.102 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.557 5.770 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.042 6.567 9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.918 8.383 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.939 7.429 7.967 1.00 0.00 H new ATOM 69 N ASP A 746 7.422 5.909 7.478 1.00 0.00 N ATOM 70 CA ASP A 746 8.414 6.429 6.547 1.00 0.00 C ATOM 71 C ASP A 746 9.503 5.394 6.291 1.00 0.00 C ATOM 72 O ASP A 746 10.468 5.287 7.048 1.00 0.00 O ATOM 73 CB ASP A 746 9.033 7.717 7.094 1.00 0.00 C ATOM 74 CG ASP A 746 8.197 8.940 6.776 1.00 0.00 C ATOM 75 OD1 ASP A 746 6.957 8.814 6.715 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.784 10.027 6.588 1.00 0.00 O ATOM 0 H ASP A 746 7.805 5.593 8.369 1.00 0.00 H new ATOM 0 HA ASP A 746 7.915 6.650 5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.149 7.631 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.031 7.844 6.675 1.00 0.00 H new ATOM 81 N ASP A 747 9.338 4.638 5.213 1.00 0.00 N ATOM 82 CA ASP A 747 10.298 3.608 4.834 1.00 0.00 C ATOM 83 C ASP A 747 10.829 3.865 3.426 1.00 0.00 C ATOM 84 O ASP A 747 10.077 4.284 2.545 1.00 0.00 O ATOM 85 CB ASP A 747 9.648 2.225 4.903 1.00 0.00 C ATOM 86 CG ASP A 747 10.644 1.102 4.694 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.160 0.970 3.565 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.909 0.356 5.660 1.00 0.00 O ATOM 0 H ASP A 747 8.542 4.720 4.581 1.00 0.00 H new ATOM 0 HA ASP A 747 11.133 3.641 5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.166 2.102 5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.866 2.157 4.147 1.00 0.00 H new ATOM 93 N PRO A 748 12.130 3.612 3.190 1.00 0.00 N ATOM 94 CA PRO A 748 12.761 3.811 1.883 1.00 0.00 C ATOM 95 C PRO A 748 11.856 3.456 0.707 1.00 0.00 C ATOM 96 O PRO A 748 11.993 4.020 -0.379 1.00 0.00 O ATOM 97 CB PRO A 748 13.949 2.859 1.949 1.00 0.00 C ATOM 98 CG PRO A 748 14.360 2.882 3.381 1.00 0.00 C ATOM 99 CD PRO A 748 13.101 3.107 4.185 1.00 0.00 C ATOM 0 HA PRO A 748 13.018 4.856 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.672 1.854 1.631 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.759 3.187 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.838 1.944 3.663 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.084 3.676 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.754 2.184 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.262 3.827 4.987 1.00 0.00 H new ATOM 107 N LEU A 749 10.943 2.512 0.914 1.00 0.00 N ATOM 108 CA LEU A 749 10.045 2.094 -0.154 1.00 0.00 C ATOM 109 C LEU A 749 8.571 2.318 0.195 1.00 0.00 C ATOM 110 O LEU A 749 7.719 2.321 -0.694 1.00 0.00 O ATOM 111 CB LEU A 749 10.295 0.623 -0.485 1.00 0.00 C ATOM 112 CG LEU A 749 11.669 0.327 -1.090 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.999 -1.153 -0.980 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.717 0.782 -2.539 1.00 0.00 C ATOM 0 H LEU A 749 10.807 2.028 1.801 1.00 0.00 H new ATOM 0 HA LEU A 749 10.259 2.713 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.180 0.035 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.527 0.286 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 749 12.420 0.883 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.980 -1.340 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 749 12.006 -1.447 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.247 -1.734 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.700 0.565 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.955 0.253 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.530 1.855 -2.590 1.00 0.00 H new ATOM 126 N TYR A 750 8.257 2.513 1.479 1.00 0.00 N ATOM 127 CA TYR A 750 6.864 2.735 1.876 1.00 0.00 C ATOM 128 C TYR A 750 6.275 3.893 1.090 1.00 0.00 C ATOM 129 O TYR A 750 5.180 3.790 0.554 1.00 0.00 O ATOM 130 CB TYR A 750 6.738 3.005 3.374 1.00 0.00 C ATOM 131 CG TYR A 750 5.332 3.365 3.819 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.417 2.379 4.170 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.924 4.692 3.896 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.142 2.702 4.590 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.649 5.023 4.315 1.00 0.00 C ATOM 136 CZ TYR A 750 2.763 4.025 4.664 1.00 0.00 C ATOM 137 OH TYR A 750 1.494 4.352 5.081 1.00 0.00 O ATOM 0 H TYR A 750 8.930 2.522 2.245 1.00 0.00 H new ATOM 0 HA TYR A 750 6.309 1.824 1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.066 2.121 3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.413 3.817 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.709 1.341 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.614 5.477 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.445 1.922 4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.348 6.059 4.369 1.00 0.00 H new ATOM 0 HH TYR A 750 1.488 5.271 5.422 1.00 0.00 H new ATOM 147 N ASP A 751 7.016 4.991 1.008 1.00 0.00 N ATOM 148 CA ASP A 751 6.555 6.153 0.263 1.00 0.00 C ATOM 149 C ASP A 751 6.177 5.738 -1.154 1.00 0.00 C ATOM 150 O ASP A 751 5.214 6.245 -1.728 1.00 0.00 O ATOM 151 CB ASP A 751 7.643 7.229 0.224 1.00 0.00 C ATOM 152 CG ASP A 751 7.141 8.538 -0.352 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.245 9.154 0.264 1.00 0.00 O ATOM 154 OD2 ASP A 751 7.642 8.948 -1.420 1.00 0.00 O ATOM 0 H ASP A 751 7.931 5.100 1.445 1.00 0.00 H new ATOM 0 HA ASP A 751 5.678 6.567 0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.018 7.399 1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.483 6.871 -0.372 1.00 0.00 H new ATOM 159 N GLU A 752 6.934 4.789 -1.705 1.00 0.00 N ATOM 160 CA GLU A 752 6.667 4.282 -3.043 1.00 0.00 C ATOM 161 C GLU A 752 5.400 3.439 -3.045 1.00 0.00 C ATOM 162 O GLU A 752 4.569 3.551 -3.944 1.00 0.00 O ATOM 163 CB GLU A 752 7.852 3.460 -3.553 1.00 0.00 C ATOM 164 CG GLU A 752 8.973 4.305 -4.135 1.00 0.00 C ATOM 165 CD GLU A 752 9.098 4.154 -5.639 1.00 0.00 C ATOM 166 OE1 GLU A 752 9.157 3.002 -6.117 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.138 5.189 -6.337 1.00 0.00 O ATOM 0 H GLU A 752 7.735 4.359 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 752 6.524 5.131 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.248 2.861 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.500 2.764 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.796 5.353 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 752 9.916 4.024 -3.666 1.00 0.00 H new ATOM 174 N ALA A 753 5.257 2.604 -2.022 1.00 0.00 N ATOM 175 CA ALA A 753 4.083 1.749 -1.891 1.00 0.00 C ATOM 176 C ALA A 753 2.832 2.601 -1.747 1.00 0.00 C ATOM 177 O ALA A 753 1.873 2.453 -2.501 1.00 0.00 O ATOM 178 CB ALA A 753 4.234 0.817 -0.698 1.00 0.00 C ATOM 0 H ALA A 753 5.940 2.501 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 753 3.990 1.140 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.349 0.186 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.115 0.190 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.346 1.406 0.212 1.00 0.00 H new ATOM 184 N VAL A 754 2.862 3.507 -0.776 1.00 0.00 N ATOM 185 CA VAL A 754 1.749 4.408 -0.524 1.00 0.00 C ATOM 186 C VAL A 754 1.410 5.196 -1.784 1.00 0.00 C ATOM 187 O VAL A 754 0.241 5.359 -2.129 1.00 0.00 O ATOM 188 CB VAL A 754 2.093 5.369 0.633 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.244 6.630 0.602 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.933 4.654 1.958 1.00 0.00 C ATOM 0 H VAL A 754 3.654 3.635 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 754 0.878 3.817 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 754 3.131 5.680 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.521 7.276 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.410 7.157 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.191 6.362 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.177 5.337 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.903 4.314 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.604 3.795 1.991 1.00 0.00 H new ATOM 200 N ARG A 755 2.443 5.658 -2.480 1.00 0.00 N ATOM 201 CA ARG A 755 2.253 6.401 -3.716 1.00 0.00 C ATOM 202 C ARG A 755 1.680 5.479 -4.784 1.00 0.00 C ATOM 203 O ARG A 755 0.876 5.892 -5.621 1.00 0.00 O ATOM 204 CB ARG A 755 3.582 6.991 -4.192 1.00 0.00 C ATOM 205 CG ARG A 755 3.449 7.890 -5.410 1.00 0.00 C ATOM 206 CD ARG A 755 4.773 8.543 -5.769 1.00 0.00 C ATOM 207 NE ARG A 755 4.792 9.020 -7.150 1.00 0.00 N ATOM 208 CZ ARG A 755 5.765 9.770 -7.662 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.800 10.129 -6.912 1.00 0.00 N ATOM 210 NH2 ARG A 755 5.705 10.160 -8.928 1.00 0.00 N ATOM 0 H ARG A 755 3.418 5.530 -2.208 1.00 0.00 H new ATOM 0 HA ARG A 755 1.556 7.219 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.029 7.561 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.268 6.177 -4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.089 7.306 -6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 755 2.703 8.661 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 755 4.960 9.379 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.582 7.827 -5.622 1.00 0.00 H new ATOM 0 HE ARG A 755 4.014 8.763 -7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.852 9.830 -5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.543 10.704 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 755 4.913 9.885 -9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 755 6.451 10.735 -9.320 1.00 0.00 H new ATOM 224 N PHE A 756 2.113 4.224 -4.742 1.00 0.00 N ATOM 225 CA PHE A 756 1.669 3.216 -5.692 1.00 0.00 C ATOM 226 C PHE A 756 0.190 2.882 -5.491 1.00 0.00 C ATOM 227 O PHE A 756 -0.573 2.814 -6.455 1.00 0.00 O ATOM 228 CB PHE A 756 2.531 1.957 -5.533 1.00 0.00 C ATOM 229 CG PHE A 756 1.853 0.687 -5.951 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.810 0.313 -7.282 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.260 -0.133 -5.008 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.186 -0.857 -7.666 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.635 -1.302 -5.384 1.00 0.00 C ATOM 234 CZ PHE A 756 0.597 -1.667 -6.715 1.00 0.00 C ATOM 0 H PHE A 756 2.779 3.880 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 756 1.783 3.610 -6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.442 2.078 -6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.833 1.867 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.270 0.943 -8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.287 0.146 -3.965 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.158 -1.138 -8.708 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.175 -1.933 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.108 -2.583 -7.012 1.00 0.00 H new ATOM 244 N VAL A 757 -0.212 2.677 -4.239 1.00 0.00 N ATOM 245 CA VAL A 757 -1.598 2.355 -3.933 1.00 0.00 C ATOM 246 C VAL A 757 -2.496 3.569 -4.140 1.00 0.00 C ATOM 247 O VAL A 757 -3.591 3.456 -4.688 1.00 0.00 O ATOM 248 CB VAL A 757 -1.751 1.847 -2.489 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.186 1.424 -2.219 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.790 0.696 -2.226 1.00 0.00 C ATOM 0 H VAL A 757 0.401 2.728 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.902 1.562 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.504 2.662 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.273 1.068 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.850 2.276 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.465 0.625 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.911 0.348 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -1.005 -0.122 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.235 1.036 -2.375 1.00 0.00 H new ATOM 260 N THR A 758 -2.023 4.730 -3.702 1.00 0.00 N ATOM 261 CA THR A 758 -2.783 5.964 -3.845 1.00 0.00 C ATOM 262 C THR A 758 -3.053 6.273 -5.314 1.00 0.00 C ATOM 263 O THR A 758 -4.142 6.720 -5.674 1.00 0.00 O ATOM 264 CB THR A 758 -2.025 7.125 -3.203 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.661 7.104 -3.581 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.085 7.120 -1.691 1.00 0.00 C ATOM 0 H THR A 758 -1.118 4.842 -3.246 1.00 0.00 H new ATOM 0 HA THR A 758 -3.740 5.833 -3.339 1.00 0.00 H new ATOM 0 HB THR A 758 -2.521 8.026 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.136 6.657 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.526 7.971 -1.302 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.124 7.189 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.648 6.196 -1.313 1.00 0.00 H new ATOM 274 N GLU A 759 -2.052 6.038 -6.158 1.00 0.00 N ATOM 275 CA GLU A 759 -2.179 6.298 -7.588 1.00 0.00 C ATOM 276 C GLU A 759 -2.971 5.196 -8.284 1.00 0.00 C ATOM 277 O GLU A 759 -3.900 5.472 -9.044 1.00 0.00 O ATOM 278 CB GLU A 759 -0.795 6.425 -8.227 1.00 0.00 C ATOM 279 CG GLU A 759 -0.741 7.423 -9.372 1.00 0.00 C ATOM 280 CD GLU A 759 0.674 7.850 -9.708 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.439 8.159 -8.770 1.00 0.00 O ATOM 282 OE2 GLU A 759 1.017 7.877 -10.909 1.00 0.00 O ATOM 0 H GLU A 759 -1.144 5.668 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.721 7.236 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.077 6.723 -7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.483 5.447 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.203 6.982 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -1.329 8.302 -9.110 1.00 0.00 H new ATOM 289 N SER A 760 -2.600 3.947 -8.022 1.00 0.00 N ATOM 290 CA SER A 760 -3.279 2.806 -8.627 1.00 0.00 C ATOM 291 C SER A 760 -4.688 2.653 -8.068 1.00 0.00 C ATOM 292 O SER A 760 -5.576 2.133 -8.739 1.00 0.00 O ATOM 293 CB SER A 760 -2.482 1.520 -8.383 1.00 0.00 C ATOM 294 OG SER A 760 -2.801 0.949 -7.126 1.00 0.00 O ATOM 0 H SER A 760 -1.834 3.699 -7.396 1.00 0.00 H new ATOM 0 HA SER A 760 -3.348 2.986 -9.700 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.694 0.802 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.415 1.737 -8.426 1.00 0.00 H new ATOM 0 HG SER A 760 -2.406 0.054 -7.063 1.00 0.00 H new ATOM 300 N ARG A 761 -4.875 3.103 -6.829 1.00 0.00 N ATOM 301 CA ARG A 761 -6.166 3.016 -6.154 1.00 0.00 C ATOM 302 C ARG A 761 -6.451 1.579 -5.726 1.00 0.00 C ATOM 303 O ARG A 761 -7.601 1.143 -5.693 1.00 0.00 O ATOM 304 CB ARG A 761 -7.296 3.532 -7.052 1.00 0.00 C ATOM 305 CG ARG A 761 -7.071 4.946 -7.561 1.00 0.00 C ATOM 306 CD ARG A 761 -7.618 5.980 -6.590 1.00 0.00 C ATOM 307 NE ARG A 761 -7.871 7.263 -7.240 1.00 0.00 N ATOM 308 CZ ARG A 761 -8.436 8.303 -6.630 1.00 0.00 C ATOM 309 NH1 ARG A 761 -8.809 8.215 -5.360 1.00 0.00 N ATOM 310 NH2 ARG A 761 -8.629 9.435 -7.294 1.00 0.00 N ATOM 0 H ARG A 761 -4.141 3.535 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.121 3.647 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.407 2.861 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.234 3.499 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.005 5.115 -7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.553 5.066 -8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.543 5.609 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -6.910 6.121 -5.774 1.00 0.00 H new ATOM 0 HE ARG A 761 -7.599 7.369 -8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.664 7.347 -4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -9.241 9.016 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -8.345 9.508 -8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -9.062 10.232 -6.828 1.00 0.00 H new ATOM 324 N ARG A 762 -5.388 0.849 -5.399 1.00 0.00 N ATOM 325 CA ARG A 762 -5.509 -0.541 -4.971 1.00 0.00 C ATOM 326 C ARG A 762 -4.388 -0.907 -4.007 1.00 0.00 C ATOM 327 O ARG A 762 -3.215 -0.646 -4.277 1.00 0.00 O ATOM 328 CB ARG A 762 -5.462 -1.481 -6.178 1.00 0.00 C ATOM 329 CG ARG A 762 -6.707 -1.429 -7.049 1.00 0.00 C ATOM 330 CD ARG A 762 -6.526 -0.492 -8.235 1.00 0.00 C ATOM 331 NE ARG A 762 -5.208 -0.629 -8.858 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.884 -1.614 -9.693 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.774 -2.547 -10.008 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.667 -1.667 -10.216 1.00 0.00 N ATOM 0 H ARG A 762 -4.430 1.199 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.468 -0.652 -4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -4.594 -1.231 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -5.320 -2.502 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -6.941 -2.431 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -7.556 -1.099 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -7.298 -0.696 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.664 0.538 -7.905 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.498 0.070 -8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.712 -2.512 -9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.520 -3.299 -10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.978 -0.953 -9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.419 -2.422 -10.856 1.00 0.00 H new ATOM 348 N ALA A 763 -4.750 -1.518 -2.886 1.00 0.00 N ATOM 349 CA ALA A 763 -3.769 -1.923 -1.895 1.00 0.00 C ATOM 350 C ALA A 763 -3.593 -3.435 -1.901 1.00 0.00 C ATOM 351 O ALA A 763 -4.271 -4.156 -1.169 1.00 0.00 O ATOM 352 CB ALA A 763 -4.184 -1.443 -0.514 1.00 0.00 C ATOM 0 H ALA A 763 -5.715 -1.742 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.813 -1.466 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.439 -1.754 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.260 -0.356 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.151 -1.875 -0.254 1.00 0.00 H new ATOM 358 N SER A 764 -2.665 -3.905 -2.723 1.00 0.00 N ATOM 359 CA SER A 764 -2.376 -5.328 -2.824 1.00 0.00 C ATOM 360 C SER A 764 -0.879 -5.549 -2.742 1.00 0.00 C ATOM 361 O SER A 764 -0.122 -5.054 -3.573 1.00 0.00 O ATOM 362 CB SER A 764 -2.925 -5.897 -4.134 1.00 0.00 C ATOM 363 OG SER A 764 -4.254 -5.465 -4.361 1.00 0.00 O ATOM 0 H SER A 764 -2.097 -3.317 -3.333 1.00 0.00 H new ATOM 0 HA SER A 764 -2.862 -5.847 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.291 -5.584 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.894 -6.986 -4.102 1.00 0.00 H new ATOM 0 HG SER A 764 -4.581 -5.841 -5.205 1.00 0.00 H new ATOM 369 N ILE A 765 -0.454 -6.282 -1.726 1.00 0.00 N ATOM 370 CA ILE A 765 0.959 -6.551 -1.522 1.00 0.00 C ATOM 371 C ILE A 765 1.620 -7.094 -2.784 1.00 0.00 C ATOM 372 O ILE A 765 2.664 -6.601 -3.208 1.00 0.00 O ATOM 373 CB ILE A 765 1.190 -7.539 -0.369 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.365 -7.146 0.860 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.664 -7.580 -0.028 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.380 -8.188 1.956 1.00 0.00 C ATOM 0 H ILE A 765 -1.069 -6.702 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 765 1.415 -5.595 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 765 0.866 -8.531 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.747 -6.206 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.666 -6.967 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.829 -8.281 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.231 -7.902 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.996 -6.586 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.225 -7.843 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.029 -9.123 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 765 1.405 -8.350 2.290 1.00 0.00 H new ATOM 388 N SER A 766 1.006 -8.108 -3.383 1.00 0.00 N ATOM 389 CA SER A 766 1.541 -8.709 -4.600 1.00 0.00 C ATOM 390 C SER A 766 1.766 -7.646 -5.671 1.00 0.00 C ATOM 391 O SER A 766 2.794 -7.635 -6.351 1.00 0.00 O ATOM 392 CB SER A 766 0.589 -9.786 -5.119 1.00 0.00 C ATOM 393 OG SER A 766 0.906 -10.149 -6.451 1.00 0.00 O ATOM 0 H SER A 766 0.140 -8.530 -3.048 1.00 0.00 H new ATOM 0 HA SER A 766 2.500 -9.169 -4.364 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.644 -10.665 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.437 -9.421 -5.073 1.00 0.00 H new ATOM 0 HG SER A 766 0.283 -10.840 -6.759 1.00 0.00 H new ATOM 399 N ALA A 767 0.800 -6.748 -5.804 1.00 0.00 N ATOM 400 CA ALA A 767 0.889 -5.671 -6.782 1.00 0.00 C ATOM 401 C ALA A 767 1.956 -4.664 -6.380 1.00 0.00 C ATOM 402 O ALA A 767 2.704 -4.167 -7.221 1.00 0.00 O ATOM 403 CB ALA A 767 -0.460 -4.988 -6.943 1.00 0.00 C ATOM 0 H ALA A 767 -0.055 -6.743 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 767 1.175 -6.102 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.377 -4.186 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.198 -5.715 -7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.774 -4.572 -5.986 1.00 0.00 H new ATOM 409 N VAL A 768 2.031 -4.374 -5.085 1.00 0.00 N ATOM 410 CA VAL A 768 3.021 -3.434 -4.580 1.00 0.00 C ATOM 411 C VAL A 768 4.424 -3.955 -4.842 1.00 0.00 C ATOM 412 O VAL A 768 5.288 -3.218 -5.302 1.00 0.00 O ATOM 413 CB VAL A 768 2.868 -3.175 -3.069 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.860 -2.124 -2.604 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.457 -2.739 -2.736 1.00 0.00 C ATOM 0 H VAL A 768 1.422 -4.774 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 768 2.856 -2.495 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 768 3.074 -4.109 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.736 -1.955 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.875 -2.469 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.682 -1.193 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.374 -2.562 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.223 -1.820 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.756 -3.520 -3.030 1.00 0.00 H new ATOM 425 N GLN A 769 4.645 -5.231 -4.549 1.00 0.00 N ATOM 426 CA GLN A 769 5.952 -5.830 -4.764 1.00 0.00 C ATOM 427 C GLN A 769 6.273 -5.890 -6.246 1.00 0.00 C ATOM 428 O GLN A 769 7.430 -5.758 -6.647 1.00 0.00 O ATOM 429 CB GLN A 769 6.026 -7.225 -4.135 1.00 0.00 C ATOM 430 CG GLN A 769 5.132 -8.255 -4.806 1.00 0.00 C ATOM 431 CD GLN A 769 5.782 -9.622 -4.894 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.839 -10.324 -3.768 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 6.229 -10.042 -5.961 1.00 0.00 N flip ATOM 0 H GLN A 769 3.943 -5.864 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 769 6.698 -5.202 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.058 -7.575 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.752 -7.152 -3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.197 -8.336 -4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.878 -7.912 -5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 769 6.164 -9.469 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.665 -10.963 -6.004 1.00 0.00 H new ATOM 442 N ARG A 770 5.238 -6.085 -7.056 1.00 0.00 N ATOM 443 CA ARG A 770 5.394 -6.157 -8.499 1.00 0.00 C ATOM 444 C ARG A 770 5.719 -4.784 -9.086 1.00 0.00 C ATOM 445 O ARG A 770 6.569 -4.663 -9.969 1.00 0.00 O ATOM 446 CB ARG A 770 4.114 -6.712 -9.127 1.00 0.00 C ATOM 447 CG ARG A 770 4.219 -8.173 -9.526 1.00 0.00 C ATOM 448 CD ARG A 770 3.080 -8.586 -10.443 1.00 0.00 C ATOM 449 NE ARG A 770 3.053 -10.030 -10.668 1.00 0.00 N ATOM 450 CZ ARG A 770 2.413 -10.611 -11.679 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.743 -9.877 -12.560 1.00 0.00 N ATOM 452 NH2 ARG A 770 2.440 -11.930 -11.810 1.00 0.00 N ATOM 0 H ARG A 770 4.277 -6.196 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 770 6.227 -6.823 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.292 -6.595 -8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.865 -6.120 -10.008 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.171 -8.346 -10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.211 -8.796 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.132 -8.269 -10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.180 -8.072 -11.399 1.00 0.00 H new ATOM 0 HE ARG A 770 3.555 -10.627 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.717 -8.862 -12.463 1.00 0.00 H new ATOM 0 HH12 ARG A 770 1.254 -10.328 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.951 -12.499 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.949 -12.376 -12.585 1.00 0.00 H new ATOM 466 N LYS A 771 5.032 -3.755 -8.597 1.00 0.00 N ATOM 467 CA LYS A 771 5.241 -2.393 -9.083 1.00 0.00 C ATOM 468 C LYS A 771 6.497 -1.758 -8.483 1.00 0.00 C ATOM 469 O LYS A 771 7.210 -1.018 -9.161 1.00 0.00 O ATOM 470 CB LYS A 771 4.014 -1.529 -8.780 1.00 0.00 C ATOM 471 CG LYS A 771 3.605 -0.634 -9.938 1.00 0.00 C ATOM 472 CD LYS A 771 4.066 0.795 -9.723 1.00 0.00 C ATOM 473 CE LYS A 771 3.084 1.793 -10.317 1.00 0.00 C ATOM 474 NZ LYS A 771 3.402 3.194 -9.919 1.00 0.00 N ATOM 0 H LYS A 771 4.326 -3.838 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 771 5.385 -2.448 -10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.178 -2.178 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.222 -0.910 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.030 -1.019 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.521 -0.655 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 771 4.179 0.985 -8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 771 5.047 0.934 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 771 3.098 1.713 -11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.074 1.544 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 2.709 3.842 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 3.363 3.278 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 4.356 3.441 -10.251 1.00 0.00 H new ATOM 488 N LEU A 772 6.763 -2.051 -7.214 1.00 0.00 N ATOM 489 CA LEU A 772 7.939 -1.504 -6.534 1.00 0.00 C ATOM 490 C LEU A 772 9.150 -2.419 -6.680 1.00 0.00 C ATOM 491 O LEU A 772 10.264 -2.042 -6.317 1.00 0.00 O ATOM 492 CB LEU A 772 7.652 -1.278 -5.044 1.00 0.00 C ATOM 493 CG LEU A 772 7.448 0.184 -4.630 1.00 0.00 C ATOM 494 CD1 LEU A 772 5.973 0.495 -4.446 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.215 0.484 -3.349 1.00 0.00 C ATOM 0 H LEU A 772 6.185 -2.661 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 772 8.165 -0.549 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.760 -1.843 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.478 -1.690 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 772 7.833 0.820 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.855 1.538 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.445 0.320 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.559 -0.149 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.060 1.526 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.856 -0.165 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.278 0.306 -3.511 1.00 0.00 H new ATOM 507 N LYS A 773 8.932 -3.627 -7.187 1.00 0.00 N ATOM 508 CA LYS A 773 10.018 -4.583 -7.345 1.00 0.00 C ATOM 509 C LYS A 773 10.628 -4.896 -5.985 1.00 0.00 C ATOM 510 O LYS A 773 11.847 -4.988 -5.839 1.00 0.00 O ATOM 511 CB LYS A 773 11.088 -4.032 -8.292 1.00 0.00 C ATOM 512 CG LYS A 773 10.636 -3.956 -9.741 1.00 0.00 C ATOM 513 CD LYS A 773 11.821 -3.897 -10.691 1.00 0.00 C ATOM 514 CE LYS A 773 12.486 -2.530 -10.666 1.00 0.00 C ATOM 515 NZ LYS A 773 13.570 -2.421 -11.681 1.00 0.00 N ATOM 0 H LYS A 773 8.020 -3.965 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 773 9.619 -5.500 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.379 -3.036 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.976 -4.661 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.021 -4.824 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 773 10.010 -3.075 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 773 12.548 -4.662 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.488 -4.123 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 773 11.738 -1.759 -10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.898 -2.345 -9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.998 -1.474 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 14.297 -3.140 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 13.173 -2.572 -12.630 1.00 0.00 H new ATOM 529 N ILE A 774 9.760 -5.053 -4.989 1.00 0.00 N ATOM 530 CA ILE A 774 10.197 -5.352 -3.629 1.00 0.00 C ATOM 531 C ILE A 774 9.783 -6.764 -3.231 1.00 0.00 C ATOM 532 O ILE A 774 9.263 -7.521 -4.051 1.00 0.00 O ATOM 533 CB ILE A 774 9.614 -4.349 -2.607 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.094 -4.285 -2.729 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.221 -2.971 -2.806 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.431 -3.367 -1.724 1.00 0.00 C ATOM 0 H ILE A 774 8.749 -4.978 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 774 11.284 -5.269 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 774 9.866 -4.694 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.835 -3.953 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.688 -5.290 -2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.799 -2.279 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.301 -3.026 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 774 10.000 -2.618 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.352 -3.378 -1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.657 -3.709 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.806 -2.352 -1.856 1.00 0.00 H new ATOM 548 N GLY A 775 10.014 -7.114 -1.972 1.00 0.00 N ATOM 549 CA GLY A 775 9.651 -8.435 -1.494 1.00 0.00 C ATOM 550 C GLY A 775 8.230 -8.481 -0.972 1.00 0.00 C ATOM 551 O GLY A 775 7.690 -7.464 -0.541 1.00 0.00 O ATOM 0 H GLY A 775 10.445 -6.508 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.763 -9.156 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.338 -8.735 -0.702 1.00 0.00 H new ATOM 555 N TYR A 776 7.621 -9.661 -1.009 1.00 0.00 N ATOM 556 CA TYR A 776 6.253 -9.822 -0.533 1.00 0.00 C ATOM 557 C TYR A 776 6.140 -9.413 0.932 1.00 0.00 C ATOM 558 O TYR A 776 5.222 -8.688 1.317 1.00 0.00 O ATOM 559 CB TYR A 776 5.793 -11.270 -0.707 1.00 0.00 C ATOM 560 CG TYR A 776 4.386 -11.519 -0.212 1.00 0.00 C ATOM 561 CD1 TYR A 776 4.128 -11.684 1.143 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.318 -11.584 -1.097 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.844 -11.909 1.602 1.00 0.00 C ATOM 564 CE2 TYR A 776 2.031 -11.807 -0.646 1.00 0.00 C ATOM 565 CZ TYR A 776 1.800 -11.969 0.704 1.00 0.00 C ATOM 566 OH TYR A 776 0.520 -12.192 1.157 1.00 0.00 O ATOM 0 H TYR A 776 8.051 -10.516 -1.362 1.00 0.00 H new ATOM 0 HA TYR A 776 5.609 -9.173 -1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.851 -11.537 -1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.479 -11.928 -0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.944 -11.636 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.496 -11.458 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.660 -12.037 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 776 1.211 -11.854 -1.347 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.098 -12.204 0.397 1.00 0.00 H new ATOM 576 N ASN A 777 7.081 -9.881 1.743 1.00 0.00 N ATOM 577 CA ASN A 777 7.091 -9.564 3.166 1.00 0.00 C ATOM 578 C ASN A 777 7.283 -8.068 3.388 1.00 0.00 C ATOM 579 O ASN A 777 6.608 -7.463 4.221 1.00 0.00 O ATOM 580 CB ASN A 777 8.202 -10.343 3.875 1.00 0.00 C ATOM 581 CG ASN A 777 7.765 -11.740 4.271 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.597 -11.973 4.581 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.705 -12.678 4.261 1.00 0.00 N ATOM 0 H ASN A 777 7.847 -10.482 1.439 1.00 0.00 H new ATOM 0 HA ASN A 777 6.128 -9.855 3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 777 9.071 -10.409 3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.514 -9.797 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 777 8.471 -13.637 4.517 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.661 -12.439 3.997 1.00 0.00 H new ATOM 590 N ARG A 778 8.207 -7.475 2.638 1.00 0.00 N ATOM 591 CA ARG A 778 8.483 -6.051 2.758 1.00 0.00 C ATOM 592 C ARG A 778 7.266 -5.228 2.342 1.00 0.00 C ATOM 593 O ARG A 778 6.820 -4.343 3.074 1.00 0.00 O ATOM 594 CB ARG A 778 9.697 -5.690 1.898 1.00 0.00 C ATOM 595 CG ARG A 778 9.906 -4.197 1.711 1.00 0.00 C ATOM 596 CD ARG A 778 11.045 -3.917 0.747 1.00 0.00 C ATOM 597 NE ARG A 778 11.999 -2.950 1.290 1.00 0.00 N ATOM 598 CZ ARG A 778 13.223 -3.264 1.713 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.653 -4.519 1.674 1.00 0.00 N ATOM 600 NH2 ARG A 778 14.023 -2.314 2.180 1.00 0.00 N ATOM 0 H ARG A 778 8.775 -7.959 1.943 1.00 0.00 H new ATOM 0 HA ARG A 778 8.703 -5.820 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.591 -6.116 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.586 -6.155 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.989 -3.743 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 778 10.120 -3.734 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.563 -4.848 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.640 -3.539 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 778 11.709 -1.974 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.044 -5.256 1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.592 -4.747 2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.700 -1.347 2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.961 -2.551 2.505 1.00 0.00 H new ATOM 614 N ALA A 779 6.722 -5.543 1.172 1.00 0.00 N ATOM 615 CA ALA A 779 5.546 -4.848 0.662 1.00 0.00 C ATOM 616 C ALA A 779 4.405 -4.928 1.671 1.00 0.00 C ATOM 617 O ALA A 779 3.802 -3.916 2.025 1.00 0.00 O ATOM 618 CB ALA A 779 5.124 -5.437 -0.676 1.00 0.00 C ATOM 0 H ALA A 779 7.077 -6.276 0.558 1.00 0.00 H new ATOM 0 HA ALA A 779 5.797 -3.798 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.245 -4.909 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.938 -5.332 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.886 -6.493 -0.550 1.00 0.00 H new ATOM 624 N ALA A 780 4.126 -6.143 2.140 1.00 0.00 N ATOM 625 CA ALA A 780 3.070 -6.366 3.121 1.00 0.00 C ATOM 626 C ALA A 780 3.294 -5.510 4.360 1.00 0.00 C ATOM 627 O ALA A 780 2.349 -4.962 4.925 1.00 0.00 O ATOM 628 CB ALA A 780 3.011 -7.836 3.507 1.00 0.00 C ATOM 0 H ALA A 780 4.619 -6.989 1.854 1.00 0.00 H new ATOM 0 HA ALA A 780 2.120 -6.079 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 780 2.219 -7.988 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.806 -8.437 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.966 -8.138 3.937 1.00 0.00 H new ATOM 634 N ARG A 781 4.553 -5.391 4.777 1.00 0.00 N ATOM 635 CA ARG A 781 4.892 -4.587 5.945 1.00 0.00 C ATOM 636 C ARG A 781 4.447 -3.146 5.733 1.00 0.00 C ATOM 637 O ARG A 781 3.788 -2.554 6.588 1.00 0.00 O ATOM 638 CB ARG A 781 6.398 -4.639 6.214 1.00 0.00 C ATOM 639 CG ARG A 781 6.905 -6.027 6.570 1.00 0.00 C ATOM 640 CD ARG A 781 7.231 -6.140 8.050 1.00 0.00 C ATOM 641 NE ARG A 781 8.374 -7.016 8.294 1.00 0.00 N ATOM 642 CZ ARG A 781 8.352 -8.333 8.105 1.00 0.00 C ATOM 643 NH1 ARG A 781 7.248 -8.929 7.671 1.00 0.00 N ATOM 644 NH2 ARG A 781 9.436 -9.056 8.350 1.00 0.00 N ATOM 0 H ARG A 781 5.350 -5.839 4.325 1.00 0.00 H new ATOM 0 HA ARG A 781 4.372 -4.996 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.929 -4.283 5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.637 -3.954 7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 781 6.152 -6.769 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 781 7.795 -6.252 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 781 7.442 -5.149 8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 781 6.361 -6.522 8.585 1.00 0.00 H new ATOM 0 HE ARG A 781 9.240 -6.593 8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 781 6.412 -8.377 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 781 7.236 -9.939 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 781 10.287 -8.603 8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 781 9.419 -10.066 8.205 1.00 0.00 H new ATOM 658 N MET A 782 4.792 -2.595 4.573 1.00 0.00 N ATOM 659 CA MET A 782 4.406 -1.232 4.234 1.00 0.00 C ATOM 660 C MET A 782 2.891 -1.143 4.139 1.00 0.00 C ATOM 661 O MET A 782 2.272 -0.221 4.665 1.00 0.00 O ATOM 662 CB MET A 782 5.035 -0.816 2.906 1.00 0.00 C ATOM 663 CG MET A 782 6.552 -0.843 2.922 1.00 0.00 C ATOM 664 SD MET A 782 7.235 -1.894 1.629 1.00 0.00 S ATOM 665 CE MET A 782 7.815 -0.661 0.474 1.00 0.00 C ATOM 0 H MET A 782 5.337 -3.071 3.854 1.00 0.00 H new ATOM 0 HA MET A 782 4.762 -0.558 5.013 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.676 -1.479 2.119 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.700 0.190 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.932 0.171 2.800 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.896 -1.197 3.894 1.00 0.00 H new ATOM 0 HE1 MET A 782 8.478 -1.128 -0.254 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.964 -0.217 -0.042 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.358 0.116 1.013 1.00 0.00 H new ATOM 675 N ILE A 783 2.304 -2.132 3.477 1.00 0.00 N ATOM 676 CA ILE A 783 0.861 -2.201 3.318 1.00 0.00 C ATOM 677 C ILE A 783 0.189 -2.179 4.692 1.00 0.00 C ATOM 678 O ILE A 783 -0.803 -1.478 4.909 1.00 0.00 O ATOM 679 CB ILE A 783 0.473 -3.477 2.527 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.880 -3.330 1.054 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.010 -3.790 2.646 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.088 -2.501 0.220 1.00 0.00 C ATOM 0 H ILE A 783 2.811 -2.901 3.040 1.00 0.00 H new ATOM 0 HA ILE A 783 0.516 -1.336 2.752 1.00 0.00 H new ATOM 0 HB ILE A 783 1.015 -4.316 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.868 -2.873 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.966 -4.322 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.238 -4.691 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.266 -3.948 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.591 -2.956 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.272 -2.446 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.073 -2.968 0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.157 -1.495 0.635 1.00 0.00 H new ATOM 694 N GLU A 784 0.772 -2.911 5.636 1.00 0.00 N ATOM 695 CA GLU A 784 0.263 -2.934 7.001 1.00 0.00 C ATOM 696 C GLU A 784 0.284 -1.516 7.549 1.00 0.00 C ATOM 697 O GLU A 784 -0.686 -1.034 8.146 1.00 0.00 O ATOM 698 CB GLU A 784 1.128 -3.847 7.871 1.00 0.00 C ATOM 699 CG GLU A 784 0.419 -4.363 9.108 1.00 0.00 C ATOM 700 CD GLU A 784 0.746 -3.555 10.348 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.783 -3.837 10.983 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.035 -2.640 10.684 1.00 0.00 O ATOM 0 H GLU A 784 1.594 -3.494 5.481 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.756 -3.320 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.460 -4.696 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 784 2.022 -3.303 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.658 -4.343 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.697 -5.404 9.274 1.00 0.00 H new ATOM 709 N ALA A 785 1.403 -0.846 7.301 1.00 0.00 N ATOM 710 CA ALA A 785 1.587 0.532 7.718 1.00 0.00 C ATOM 711 C ALA A 785 0.519 1.410 7.083 1.00 0.00 C ATOM 712 O ALA A 785 0.066 2.381 7.681 1.00 0.00 O ATOM 713 CB ALA A 785 2.977 1.022 7.338 1.00 0.00 C ATOM 0 H ALA A 785 2.202 -1.243 6.808 1.00 0.00 H new ATOM 0 HA ALA A 785 1.491 0.589 8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.098 2.057 7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.728 0.401 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.102 0.960 6.257 1.00 0.00 H new ATOM 719 N MET A 786 0.118 1.053 5.865 1.00 0.00 N ATOM 720 CA MET A 786 -0.908 1.804 5.155 1.00 0.00 C ATOM 721 C MET A 786 -2.239 1.689 5.886 1.00 0.00 C ATOM 722 O MET A 786 -3.005 2.646 5.960 1.00 0.00 O ATOM 723 CB MET A 786 -1.052 1.311 3.715 1.00 0.00 C ATOM 724 CG MET A 786 -0.065 1.951 2.763 1.00 0.00 C ATOM 725 SD MET A 786 -0.372 1.529 1.037 1.00 0.00 S ATOM 726 CE MET A 786 1.087 0.563 0.661 1.00 0.00 C ATOM 0 H MET A 786 0.487 0.252 5.353 1.00 0.00 H new ATOM 0 HA MET A 786 -0.606 2.851 5.126 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.918 0.229 3.693 1.00 0.00 H new ATOM 0 HB3 MET A 786 -2.065 1.514 3.368 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.107 3.034 2.879 1.00 0.00 H new ATOM 0 HG3 MET A 786 0.944 1.641 3.033 1.00 0.00 H new ATOM 0 HE1 MET A 786 0.936 0.026 -0.275 1.00 0.00 H new ATOM 0 HE2 MET A 786 1.947 1.226 0.565 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.267 -0.152 1.464 1.00 0.00 H new ATOM 736 N GLU A 787 -2.505 0.507 6.431 1.00 0.00 N ATOM 737 CA GLU A 787 -3.741 0.276 7.170 1.00 0.00 C ATOM 738 C GLU A 787 -3.792 1.145 8.418 1.00 0.00 C ATOM 739 O GLU A 787 -4.753 1.883 8.641 1.00 0.00 O ATOM 740 CB GLU A 787 -3.863 -1.195 7.566 1.00 0.00 C ATOM 741 CG GLU A 787 -4.865 -1.960 6.727 1.00 0.00 C ATOM 742 CD GLU A 787 -5.306 -3.256 7.379 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.493 -3.860 8.111 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.464 -3.668 7.158 1.00 0.00 O ATOM 0 H GLU A 787 -1.886 -0.302 6.376 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.575 0.541 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.886 -1.670 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.154 -1.259 8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.738 -1.332 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.426 -2.179 5.754 1.00 0.00 H new ATOM 751 N MET A 788 -2.751 1.042 9.232 1.00 0.00 N ATOM 752 CA MET A 788 -2.665 1.806 10.471 1.00 0.00 C ATOM 753 C MET A 788 -2.521 3.301 10.199 1.00 0.00 C ATOM 754 O MET A 788 -3.083 4.132 10.915 1.00 0.00 O ATOM 755 CB MET A 788 -1.477 1.317 11.298 1.00 0.00 C ATOM 756 CG MET A 788 -1.732 -0.003 12.004 1.00 0.00 C ATOM 757 SD MET A 788 -0.260 -0.653 12.819 1.00 0.00 S ATOM 758 CE MET A 788 0.390 0.830 13.584 1.00 0.00 C ATOM 0 H MET A 788 -1.951 0.435 9.057 1.00 0.00 H new ATOM 0 HA MET A 788 -3.591 1.652 11.025 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.610 1.209 10.646 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.225 2.074 12.040 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.522 0.132 12.743 1.00 0.00 H new ATOM 0 HG3 MET A 788 -2.094 -0.733 11.280 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.081 0.555 14.381 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.915 1.425 12.837 1.00 0.00 H new ATOM 0 HE3 MET A 788 -0.431 1.414 14.001 1.00 0.00 H new ATOM 768 N ALA A 789 -1.758 3.632 9.168 1.00 0.00 N ATOM 769 CA ALA A 789 -1.518 5.024 8.794 1.00 0.00 C ATOM 770 C ALA A 789 -2.764 5.680 8.209 1.00 0.00 C ATOM 771 O ALA A 789 -2.879 6.906 8.193 1.00 0.00 O ATOM 772 CB ALA A 789 -0.379 5.100 7.791 1.00 0.00 C ATOM 0 H ALA A 789 -1.290 2.952 8.569 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.251 5.568 9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.205 6.140 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.526 4.686 8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.640 4.528 6.900 1.00 0.00 H new ATOM 778 N GLY A 790 -3.685 4.865 7.714 1.00 0.00 N ATOM 779 CA GLY A 790 -4.896 5.395 7.117 1.00 0.00 C ATOM 780 C GLY A 790 -4.730 5.655 5.632 1.00 0.00 C ATOM 781 O GLY A 790 -5.487 6.419 5.036 1.00 0.00 O ATOM 0 H GLY A 790 -3.616 3.847 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.715 4.692 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.172 6.322 7.619 1.00 0.00 H new ATOM 785 N VAL A 791 -3.728 5.011 5.040 1.00 0.00 N ATOM 786 CA VAL A 791 -3.441 5.156 3.620 1.00 0.00 C ATOM 787 C VAL A 791 -4.317 4.231 2.794 1.00 0.00 C ATOM 788 O VAL A 791 -4.706 4.562 1.675 1.00 0.00 O ATOM 789 CB VAL A 791 -1.964 4.857 3.323 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.608 5.263 1.905 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.076 5.570 4.329 1.00 0.00 C ATOM 0 H VAL A 791 -3.096 4.378 5.530 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.656 6.189 3.348 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.800 3.783 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.557 5.042 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.228 4.707 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.783 6.331 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 791 -0.031 5.352 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.244 6.645 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.316 5.225 5.335 1.00 0.00 H new ATOM 801 N VAL A 792 -4.643 3.073 3.358 1.00 0.00 N ATOM 802 CA VAL A 792 -5.496 2.116 2.668 1.00 0.00 C ATOM 803 C VAL A 792 -6.571 1.567 3.597 1.00 0.00 C ATOM 804 O VAL A 792 -6.313 1.279 4.765 1.00 0.00 O ATOM 805 CB VAL A 792 -4.687 0.955 2.057 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.559 1.497 1.198 1.00 0.00 C ATOM 807 CG2 VAL A 792 -4.137 0.027 3.133 1.00 0.00 C ATOM 0 H VAL A 792 -4.332 2.777 4.283 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.976 2.657 1.853 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.362 0.371 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.995 0.667 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.974 2.105 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.897 2.109 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.573 -0.779 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.482 0.589 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.962 -0.394 3.707 1.00 0.00 H new ATOM 817 N THR A 793 -7.779 1.427 3.068 1.00 0.00 N ATOM 818 CA THR A 793 -8.894 0.912 3.849 1.00 0.00 C ATOM 819 C THR A 793 -8.761 -0.599 4.011 1.00 0.00 C ATOM 820 O THR A 793 -8.077 -1.249 3.223 1.00 0.00 O ATOM 821 CB THR A 793 -10.227 1.250 3.174 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.477 0.367 2.096 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.294 2.664 2.635 1.00 0.00 C ATOM 0 H THR A 793 -8.011 1.663 2.103 1.00 0.00 H new ATOM 0 HA THR A 793 -8.875 1.382 4.832 1.00 0.00 H new ATOM 0 HB THR A 793 -10.978 1.147 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.444 0.249 1.987 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.266 2.831 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 793 -10.155 3.372 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.509 2.808 1.893 1.00 0.00 H new ATOM 831 N PRO A 794 -9.411 -1.186 5.028 1.00 0.00 N ATOM 832 CA PRO A 794 -9.348 -2.631 5.263 1.00 0.00 C ATOM 833 C PRO A 794 -9.868 -3.427 4.071 1.00 0.00 C ATOM 834 O PRO A 794 -10.493 -2.872 3.167 1.00 0.00 O ATOM 835 CB PRO A 794 -10.246 -2.846 6.487 1.00 0.00 C ATOM 836 CG PRO A 794 -11.100 -1.628 6.557 1.00 0.00 C ATOM 837 CD PRO A 794 -10.259 -0.507 6.020 1.00 0.00 C ATOM 0 HA PRO A 794 -8.324 -2.973 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.851 -3.746 6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.654 -2.966 7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -12.008 -1.753 5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.411 -1.427 7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.868 0.274 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.667 -0.034 6.803 1.00 0.00 H new ATOM 845 N MET A 795 -9.600 -4.727 4.075 1.00 0.00 N ATOM 846 CA MET A 795 -10.034 -5.603 2.997 1.00 0.00 C ATOM 847 C MET A 795 -11.547 -5.539 2.811 1.00 0.00 C ATOM 848 O MET A 795 -12.277 -5.111 3.705 1.00 0.00 O ATOM 849 CB MET A 795 -9.602 -7.039 3.286 1.00 0.00 C ATOM 850 CG MET A 795 -8.147 -7.165 3.708 1.00 0.00 C ATOM 851 SD MET A 795 -7.140 -8.035 2.491 1.00 0.00 S ATOM 852 CE MET A 795 -5.956 -8.858 3.554 1.00 0.00 C ATOM 0 H MET A 795 -9.082 -5.198 4.817 1.00 0.00 H new ATOM 0 HA MET A 795 -9.565 -5.264 2.073 1.00 0.00 H new ATOM 0 HB2 MET A 795 -10.236 -7.449 4.072 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.767 -7.645 2.395 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.733 -6.170 3.871 1.00 0.00 H new ATOM 0 HG3 MET A 795 -8.094 -7.692 4.661 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.263 -9.439 2.945 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.401 -8.114 4.126 1.00 0.00 H new ATOM 0 HE3 MET A 795 -6.482 -9.523 4.239 1.00 0.00 H new ATOM 862 N ASN A 796 -12.010 -5.971 1.642 1.00 0.00 N ATOM 863 CA ASN A 796 -13.435 -5.965 1.333 1.00 0.00 C ATOM 864 C ASN A 796 -14.011 -7.375 1.408 1.00 0.00 C ATOM 865 O ASN A 796 -13.285 -8.342 1.638 1.00 0.00 O ATOM 866 CB ASN A 796 -13.674 -5.378 -0.059 1.00 0.00 C ATOM 867 CG ASN A 796 -13.582 -3.870 -0.076 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.806 -3.209 0.937 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.249 -3.320 -1.233 1.00 0.00 N ATOM 0 H ASN A 796 -11.418 -6.330 0.893 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.940 -5.344 2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.943 -5.791 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.659 -5.683 -0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.169 -2.306 -1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.073 -3.910 -2.046 1.00 0.00 H new ATOM 876 N THR A 797 -15.323 -7.485 1.214 1.00 0.00 N ATOM 877 CA THR A 797 -15.998 -8.778 1.261 1.00 0.00 C ATOM 878 C THR A 797 -15.352 -9.769 0.295 1.00 0.00 C ATOM 879 O THR A 797 -15.312 -10.970 0.557 1.00 0.00 O ATOM 880 CB THR A 797 -17.482 -8.615 0.925 1.00 0.00 C ATOM 881 OG1 THR A 797 -18.128 -9.875 0.883 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.723 -7.932 -0.405 1.00 0.00 C ATOM 0 H THR A 797 -15.939 -6.695 1.023 1.00 0.00 H new ATOM 0 HA THR A 797 -15.902 -9.171 2.273 1.00 0.00 H new ATOM 0 HB THR A 797 -17.890 -7.988 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 797 -19.076 -9.750 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.795 -7.848 -0.582 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.279 -6.937 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.268 -8.519 -1.203 1.00 0.00 H new ATOM 890 N ASN A 798 -14.847 -9.253 -0.820 1.00 0.00 N ATOM 891 CA ASN A 798 -14.200 -10.091 -1.824 1.00 0.00 C ATOM 892 C ASN A 798 -12.716 -10.279 -1.512 1.00 0.00 C ATOM 893 O ASN A 798 -12.075 -11.190 -2.036 1.00 0.00 O ATOM 894 CB ASN A 798 -14.366 -9.476 -3.215 1.00 0.00 C ATOM 895 CG ASN A 798 -14.192 -10.490 -4.321 1.00 0.00 C ATOM 896 OD1 ASN A 798 -14.383 -11.690 -4.120 1.00 0.00 O ATOM 897 ND2 ASN A 798 -13.827 -10.009 -5.499 1.00 0.00 N ATOM 0 H ASN A 798 -14.873 -8.260 -1.052 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.681 -11.069 -1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -15.355 -9.024 -3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.638 -8.675 -3.344 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -13.692 -10.641 -6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -13.680 -9.007 -5.617 1.00 0.00 H new ATOM 904 N GLY A 799 -12.175 -9.414 -0.659 1.00 0.00 N ATOM 905 CA GLY A 799 -10.773 -9.509 -0.297 1.00 0.00 C ATOM 906 C GLY A 799 -9.914 -8.498 -1.032 1.00 0.00 C ATOM 907 O GLY A 799 -8.781 -8.795 -1.411 1.00 0.00 O ATOM 0 H GLY A 799 -12.682 -8.650 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.667 -9.358 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.412 -10.514 -0.515 1.00 0.00 H new ATOM 911 N SER A 800 -10.452 -7.299 -1.233 1.00 0.00 N ATOM 912 CA SER A 800 -9.725 -6.243 -1.928 1.00 0.00 C ATOM 913 C SER A 800 -9.711 -4.958 -1.109 1.00 0.00 C ATOM 914 O SER A 800 -10.752 -4.486 -0.652 1.00 0.00 O ATOM 915 CB SER A 800 -10.345 -5.978 -3.298 1.00 0.00 C ATOM 916 OG SER A 800 -10.475 -7.177 -4.042 1.00 0.00 O ATOM 0 H SER A 800 -11.388 -7.035 -0.925 1.00 0.00 H new ATOM 0 HA SER A 800 -8.697 -6.579 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.324 -5.516 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.726 -5.270 -3.849 1.00 0.00 H new ATOM 0 HG SER A 800 -10.876 -6.979 -4.914 1.00 0.00 H new ATOM 922 N ARG A 801 -8.520 -4.398 -0.927 1.00 0.00 N ATOM 923 CA ARG A 801 -8.358 -3.167 -0.163 1.00 0.00 C ATOM 924 C ARG A 801 -8.626 -1.941 -1.025 1.00 0.00 C ATOM 925 O ARG A 801 -8.748 -2.033 -2.246 1.00 0.00 O ATOM 926 CB ARG A 801 -6.940 -3.077 0.403 1.00 0.00 C ATOM 927 CG ARG A 801 -6.791 -3.692 1.779 1.00 0.00 C ATOM 928 CD ARG A 801 -5.406 -4.291 1.968 1.00 0.00 C ATOM 929 NE ARG A 801 -4.431 -3.316 2.452 1.00 0.00 N ATOM 930 CZ ARG A 801 -3.928 -3.314 3.684 1.00 0.00 C ATOM 931 NH1 ARG A 801 -4.351 -4.186 4.591 1.00 0.00 N ATOM 932 NH2 ARG A 801 -2.997 -2.430 4.012 1.00 0.00 N ATOM 0 H ARG A 801 -7.650 -4.779 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.082 -3.189 0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.253 -3.573 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.643 -2.029 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.968 -2.933 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.546 -4.465 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.466 -5.120 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -5.061 -4.704 1.020 1.00 0.00 H new ATOM 0 HE ARG A 801 -4.117 -2.592 1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -5.069 -4.868 4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.958 -4.174 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -2.669 -1.755 3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.609 -2.425 4.955 1.00 0.00 H new ATOM 946 N GLU A 802 -8.692 -0.791 -0.369 1.00 0.00 N ATOM 947 CA GLU A 802 -8.917 0.476 -1.050 1.00 0.00 C ATOM 948 C GLU A 802 -7.913 1.509 -0.553 1.00 0.00 C ATOM 949 O GLU A 802 -6.974 1.168 0.165 1.00 0.00 O ATOM 950 CB GLU A 802 -10.349 0.964 -0.824 1.00 0.00 C ATOM 951 CG GLU A 802 -11.252 0.778 -2.032 1.00 0.00 C ATOM 952 CD GLU A 802 -12.714 1.021 -1.712 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.152 0.631 -0.609 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.419 1.600 -2.563 1.00 0.00 O ATOM 0 H GLU A 802 -8.592 -0.710 0.643 1.00 0.00 H new ATOM 0 HA GLU A 802 -8.777 0.332 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.776 0.430 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.326 2.021 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -10.939 1.460 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.132 -0.234 -2.418 1.00 0.00 H new ATOM 961 N VAL A 803 -8.101 2.765 -0.934 1.00 0.00 N ATOM 962 CA VAL A 803 -7.186 3.817 -0.512 1.00 0.00 C ATOM 963 C VAL A 803 -7.913 4.962 0.181 1.00 0.00 C ATOM 964 O VAL A 803 -8.949 5.433 -0.288 1.00 0.00 O ATOM 965 CB VAL A 803 -6.384 4.381 -1.696 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.294 5.319 -1.199 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.790 3.250 -2.522 1.00 0.00 C ATOM 0 H VAL A 803 -8.869 3.078 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.501 3.352 0.197 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.059 4.951 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.735 5.710 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.747 6.145 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.618 4.774 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.225 3.666 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.126 2.653 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.592 2.619 -2.906 1.00 0.00 H new ATOM 977 N ILE A 804 -7.348 5.412 1.296 1.00 0.00 N ATOM 978 CA ILE A 804 -7.921 6.515 2.059 1.00 0.00 C ATOM 979 C ILE A 804 -7.063 7.764 1.910 1.00 0.00 C ATOM 980 O ILE A 804 -7.570 8.885 1.909 1.00 0.00 O ATOM 981 CB ILE A 804 -8.059 6.183 3.566 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.399 4.841 3.903 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.522 6.177 3.972 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.497 4.471 5.367 1.00 0.00 C ATOM 0 H ILE A 804 -6.490 5.028 1.693 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.918 6.688 1.655 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.542 6.958 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.864 4.056 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.348 4.880 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.604 5.942 5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.956 7.159 3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -10.058 5.426 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -7.009 3.510 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -7.007 5.236 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.546 4.400 5.655 1.00 0.00 H new ATOM 996 N ALA A 805 -5.756 7.557 1.791 1.00 0.00 N ATOM 997 CA ALA A 805 -4.818 8.652 1.646 1.00 0.00 C ATOM 998 C ALA A 805 -5.131 9.488 0.408 1.00 0.00 C ATOM 999 O ALA A 805 -5.968 9.113 -0.412 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.396 8.110 1.581 1.00 0.00 C ATOM 0 H ALA A 805 -5.325 6.633 1.793 1.00 0.00 H new ATOM 0 HA ALA A 805 -4.912 9.302 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.696 8.938 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.172 7.564 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.301 7.440 0.727 1.00 0.00 H new ATOM 1006 N PRO A 806 -4.453 10.637 0.261 1.00 0.00 N ATOM 1007 CA PRO A 806 -4.652 11.534 -0.878 1.00 0.00 C ATOM 1008 C PRO A 806 -4.091 10.955 -2.174 1.00 0.00 C ATOM 1009 O PRO A 806 -3.296 10.016 -2.152 1.00 0.00 O ATOM 1010 CB PRO A 806 -3.882 12.794 -0.477 1.00 0.00 C ATOM 1011 CG PRO A 806 -2.835 12.312 0.466 1.00 0.00 C ATOM 1012 CD PRO A 806 -3.439 11.145 1.200 1.00 0.00 C ATOM 0 HA PRO A 806 -5.709 11.711 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -3.439 13.281 -1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -4.537 13.524 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -1.936 12.011 -0.071 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -2.543 13.100 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -2.691 10.387 1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -3.886 11.453 2.145 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.512 11.522 -3.299 1.00 0.00 N ATOM 1021 CA ALA A 807 -4.053 11.062 -4.605 1.00 0.00 C ATOM 1022 C ALA A 807 -3.332 12.178 -5.359 1.00 0.00 C ATOM 1023 O ALA A 807 -3.953 13.160 -5.767 1.00 0.00 O ATOM 1024 CB ALA A 807 -5.228 10.548 -5.423 1.00 0.00 C ATOM 0 H ALA A 807 -5.170 12.301 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 807 -3.345 10.248 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -4.873 10.207 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -5.701 9.718 -4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -5.953 11.350 -5.562 1.00 0.00 H new