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 165:sc= -0.279 USER MOD Single : A 758 THR OG1 : rot -92:sc= 0.0256 USER MOD Single : A 760 SER OG : rot -112:sc= -1.21! 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= -0.563 F(o=-2.2!,f=-0.56) 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= -0.0922 K(o=-0.092,f=-2.1!) USER MOD Single : A 782 MET CE :methyl 174:sc= -2.92 (180deg=-3.07!) USER MOD Single : A 786 MET CE :methyl 170:sc= -5.25! (180deg=-5.66!) USER MOD Single : A 788 MET CE :methyl -164:sc= -0.0221 (180deg=-0.48) USER MOD Single : A 793 THR OG1 : rot 154:sc= -1.45 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -2 K(o=-2,f=-15!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.4!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.664 -0.527 7.279 1.00 0.00 N ATOM 37 CA GLY A 743 7.284 -0.394 6.852 1.00 0.00 C ATOM 38 C GLY A 743 6.367 0.055 7.974 1.00 0.00 C ATOM 39 O GLY A 743 5.497 -0.697 8.413 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.228 0.323 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.934 -1.350 6.462 1.00 0.00 H new ATOM 43 N SER A 744 6.558 1.288 8.432 1.00 0.00 N ATOM 44 CA SER A 744 5.738 1.843 9.504 1.00 0.00 C ATOM 45 C SER A 744 5.069 3.130 9.044 1.00 0.00 C ATOM 46 O SER A 744 3.846 3.260 9.081 1.00 0.00 O ATOM 47 CB SER A 744 6.591 2.109 10.747 1.00 0.00 C ATOM 48 OG SER A 744 7.570 1.099 10.919 1.00 0.00 O ATOM 0 H SER A 744 7.274 1.922 8.078 1.00 0.00 H new ATOM 0 HA SER A 744 4.966 1.117 9.759 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.078 3.080 10.657 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.951 2.154 11.628 1.00 0.00 H new ATOM 0 HG SER A 744 8.103 1.293 11.718 1.00 0.00 H new ATOM 54 N GLU A 745 5.888 4.071 8.598 1.00 0.00 N ATOM 55 CA GLU A 745 5.397 5.352 8.108 1.00 0.00 C ATOM 56 C GLU A 745 6.346 5.913 7.060 1.00 0.00 C ATOM 57 O GLU A 745 5.923 6.333 5.983 1.00 0.00 O ATOM 58 CB GLU A 745 5.235 6.348 9.255 1.00 0.00 C ATOM 59 CG GLU A 745 4.435 7.581 8.869 1.00 0.00 C ATOM 60 CD GLU A 745 3.285 7.854 9.817 1.00 0.00 C ATOM 61 OE1 GLU A 745 2.556 6.898 10.157 1.00 0.00 O ATOM 62 OE2 GLU A 745 3.110 9.023 10.220 1.00 0.00 O ATOM 0 H GLU A 745 6.903 3.971 8.565 1.00 0.00 H new ATOM 0 HA GLU A 745 4.420 5.190 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.744 5.852 10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.221 6.657 9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 745 5.097 8.447 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 745 4.045 7.454 7.859 1.00 0.00 H new ATOM 69 N ASP A 746 7.634 5.903 7.380 1.00 0.00 N ATOM 70 CA ASP A 746 8.649 6.397 6.459 1.00 0.00 C ATOM 71 C ASP A 746 9.710 5.331 6.211 1.00 0.00 C ATOM 72 O ASP A 746 10.667 5.197 6.974 1.00 0.00 O ATOM 73 CB ASP A 746 9.300 7.664 7.016 1.00 0.00 C ATOM 74 CG ASP A 746 8.472 8.906 6.748 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.233 8.833 6.886 1.00 0.00 O ATOM 76 OD2 ASP A 746 9.063 9.950 6.401 1.00 0.00 O ATOM 0 H ASP A 746 7.999 5.559 8.268 1.00 0.00 H new ATOM 0 HA ASP A 746 8.166 6.636 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.445 7.552 8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.288 7.787 6.572 1.00 0.00 H new ATOM 81 N ASP A 747 9.532 4.583 5.130 1.00 0.00 N ATOM 82 CA ASP A 747 10.464 3.528 4.753 1.00 0.00 C ATOM 83 C ASP A 747 11.005 3.775 3.348 1.00 0.00 C ATOM 84 O ASP A 747 10.269 4.226 2.468 1.00 0.00 O ATOM 85 CB ASP A 747 9.773 2.163 4.813 1.00 0.00 C ATOM 86 CG ASP A 747 10.738 1.012 4.614 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.252 0.858 3.486 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.979 0.263 5.585 1.00 0.00 O ATOM 0 H ASP A 747 8.742 4.689 4.493 1.00 0.00 H new ATOM 0 HA ASP A 747 11.296 3.534 5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.276 2.053 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.998 2.119 4.048 1.00 0.00 H new ATOM 93 N PRO A 748 12.297 3.478 3.111 1.00 0.00 N ATOM 94 CA PRO A 748 12.930 3.666 1.804 1.00 0.00 C ATOM 95 C PRO A 748 12.017 3.324 0.629 1.00 0.00 C ATOM 96 O PRO A 748 12.178 3.867 -0.465 1.00 0.00 O ATOM 97 CB PRO A 748 14.104 2.695 1.867 1.00 0.00 C ATOM 98 CG PRO A 748 14.510 2.702 3.301 1.00 0.00 C ATOM 99 CD PRO A 748 13.250 2.932 4.100 1.00 0.00 C ATOM 0 HA PRO A 748 13.204 4.707 1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.813 1.697 1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.921 3.016 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.978 1.757 3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.241 3.487 3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.882 2.006 4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.419 3.630 4.920 1.00 0.00 H new ATOM 107 N LEU A 749 11.069 2.417 0.846 1.00 0.00 N ATOM 108 CA LEU A 749 10.159 2.017 -0.220 1.00 0.00 C ATOM 109 C LEU A 749 8.695 2.300 0.119 1.00 0.00 C ATOM 110 O LEU A 749 7.846 2.326 -0.773 1.00 0.00 O ATOM 111 CB LEU A 749 10.338 0.527 -0.510 1.00 0.00 C ATOM 112 CG LEU A 749 11.705 0.139 -1.075 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.940 -1.355 -0.931 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.816 0.564 -2.530 1.00 0.00 C ATOM 0 H LEU A 749 10.912 1.950 1.739 1.00 0.00 H new ATOM 0 HA LEU A 749 10.408 2.611 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.171 -0.030 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.568 0.214 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 749 12.475 0.659 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.918 -1.610 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.904 -1.629 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.167 -1.899 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.794 0.281 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 749 11.038 0.071 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.695 1.645 -2.604 1.00 0.00 H new ATOM 126 N TYR A 750 8.390 2.516 1.399 1.00 0.00 N ATOM 127 CA TYR A 750 7.008 2.785 1.798 1.00 0.00 C ATOM 128 C TYR A 750 6.443 3.957 1.024 1.00 0.00 C ATOM 129 O TYR A 750 5.341 3.885 0.498 1.00 0.00 O ATOM 130 CB TYR A 750 6.899 3.050 3.297 1.00 0.00 C ATOM 131 CG TYR A 750 5.500 3.403 3.750 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.608 2.413 4.139 1.00 0.00 C ATOM 133 CD2 TYR A 750 5.073 4.724 3.795 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.336 2.725 4.563 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.798 5.047 4.220 1.00 0.00 C ATOM 136 CZ TYR A 750 2.934 4.042 4.606 1.00 0.00 C ATOM 137 OH TYR A 750 1.664 4.358 5.029 1.00 0.00 O ATOM 0 H TYR A 750 9.065 2.511 2.163 1.00 0.00 H new ATOM 0 HA TYR A 750 6.425 1.894 1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.235 2.166 3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.574 3.863 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.918 1.379 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.748 5.511 3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.656 1.941 4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.480 6.079 4.250 1.00 0.00 H new ATOM 0 HH TYR A 750 1.614 5.317 5.225 1.00 0.00 H new ATOM 147 N ASP A 751 7.205 5.035 0.941 1.00 0.00 N ATOM 148 CA ASP A 751 6.764 6.209 0.206 1.00 0.00 C ATOM 149 C ASP A 751 6.360 5.806 -1.208 1.00 0.00 C ATOM 150 O ASP A 751 5.391 6.327 -1.763 1.00 0.00 O ATOM 151 CB ASP A 751 7.874 7.261 0.159 1.00 0.00 C ATOM 152 CG ASP A 751 7.403 8.573 -0.436 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.197 8.878 -0.322 1.00 0.00 O ATOM 154 OD2 ASP A 751 8.240 9.296 -1.017 1.00 0.00 O ATOM 0 H ASP A 751 8.126 5.122 1.370 1.00 0.00 H new ATOM 0 HA ASP A 751 5.903 6.642 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.247 7.436 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.709 6.878 -0.428 1.00 0.00 H new ATOM 159 N GLU A 752 7.095 4.851 -1.774 1.00 0.00 N ATOM 160 CA GLU A 752 6.798 4.357 -3.109 1.00 0.00 C ATOM 161 C GLU A 752 5.518 3.533 -3.087 1.00 0.00 C ATOM 162 O GLU A 752 4.653 3.687 -3.943 1.00 0.00 O ATOM 163 CB GLU A 752 7.957 3.520 -3.645 1.00 0.00 C ATOM 164 CG GLU A 752 8.410 3.935 -5.033 1.00 0.00 C ATOM 165 CD GLU A 752 9.919 4.014 -5.158 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.552 2.958 -5.371 1.00 0.00 O ATOM 167 OE2 GLU A 752 10.467 5.130 -5.043 1.00 0.00 O ATOM 0 H GLU A 752 7.898 4.407 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 752 6.658 5.211 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.800 3.598 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.659 2.472 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.026 3.223 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.978 4.906 -5.276 1.00 0.00 H new ATOM 174 N ALA A 753 5.411 2.662 -2.090 1.00 0.00 N ATOM 175 CA ALA A 753 4.236 1.811 -1.933 1.00 0.00 C ATOM 176 C ALA A 753 2.983 2.662 -1.775 1.00 0.00 C ATOM 177 O ALA A 753 2.003 2.486 -2.497 1.00 0.00 O ATOM 178 CB ALA A 753 4.405 0.890 -0.734 1.00 0.00 C ATOM 0 H ALA A 753 6.126 2.526 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 753 4.129 1.198 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.520 0.262 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.282 0.260 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.533 1.488 0.169 1.00 0.00 H new ATOM 184 N VAL A 754 3.034 3.597 -0.832 1.00 0.00 N ATOM 185 CA VAL A 754 1.922 4.497 -0.576 1.00 0.00 C ATOM 186 C VAL A 754 1.547 5.239 -1.856 1.00 0.00 C ATOM 187 O VAL A 754 0.369 5.372 -2.185 1.00 0.00 O ATOM 188 CB VAL A 754 2.286 5.500 0.545 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.546 6.820 0.390 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.999 4.889 1.906 1.00 0.00 C ATOM 0 H VAL A 754 3.842 3.749 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 754 1.064 3.912 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 754 3.352 5.714 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.831 7.494 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.804 7.272 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.471 6.641 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.259 5.603 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.940 4.642 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.592 3.983 2.031 1.00 0.00 H new ATOM 200 N ARG A 755 2.561 5.695 -2.584 1.00 0.00 N ATOM 201 CA ARG A 755 2.339 6.395 -3.842 1.00 0.00 C ATOM 202 C ARG A 755 1.752 5.434 -4.868 1.00 0.00 C ATOM 203 O ARG A 755 0.922 5.810 -5.697 1.00 0.00 O ATOM 204 CB ARG A 755 3.654 6.974 -4.365 1.00 0.00 C ATOM 205 CG ARG A 755 3.503 7.747 -5.665 1.00 0.00 C ATOM 206 CD ARG A 755 4.628 8.752 -5.851 1.00 0.00 C ATOM 207 NE ARG A 755 4.803 9.122 -7.254 1.00 0.00 N ATOM 208 CZ ARG A 755 5.446 10.216 -7.657 1.00 0.00 C ATOM 209 NH1 ARG A 755 5.979 11.047 -6.770 1.00 0.00 N ATOM 210 NH2 ARG A 755 5.557 10.478 -8.952 1.00 0.00 N ATOM 0 H ARG A 755 3.542 5.592 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 755 1.639 7.213 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.078 7.633 -3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.365 6.162 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.493 7.051 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 755 2.545 8.267 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 755 4.417 9.646 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.558 8.331 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 755 4.410 8.506 -7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 755 5.897 10.849 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 755 6.470 11.883 -7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 755 5.150 9.842 -9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 755 6.049 11.316 -9.262 1.00 0.00 H new ATOM 224 N PHE A 756 2.202 4.186 -4.797 1.00 0.00 N ATOM 225 CA PHE A 756 1.749 3.140 -5.701 1.00 0.00 C ATOM 226 C PHE A 756 0.272 2.825 -5.474 1.00 0.00 C ATOM 227 O PHE A 756 -0.500 2.716 -6.426 1.00 0.00 O ATOM 228 CB PHE A 756 2.604 1.881 -5.493 1.00 0.00 C ATOM 229 CG PHE A 756 1.913 0.602 -5.866 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.950 0.127 -7.167 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.223 -0.122 -4.911 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.310 -1.049 -7.505 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.583 -1.297 -5.243 1.00 0.00 C ATOM 234 CZ PHE A 756 0.625 -1.761 -6.542 1.00 0.00 C ATOM 0 H PHE A 756 2.890 3.873 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 756 1.861 3.488 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.517 1.973 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.904 1.827 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.484 0.682 -7.924 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.185 0.237 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.346 -1.411 -8.522 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.049 -1.854 -4.487 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.122 -2.680 -6.804 1.00 0.00 H new ATOM 244 N VAL A 757 -0.114 2.679 -4.210 1.00 0.00 N ATOM 245 CA VAL A 757 -1.495 2.375 -3.868 1.00 0.00 C ATOM 246 C VAL A 757 -2.402 3.563 -4.160 1.00 0.00 C ATOM 247 O VAL A 757 -3.478 3.408 -4.736 1.00 0.00 O ATOM 248 CB VAL A 757 -1.635 1.979 -2.387 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.067 1.571 -2.077 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.669 0.855 -2.045 1.00 0.00 C ATOM 0 H VAL A 757 0.511 2.767 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.798 1.530 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.386 2.844 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.147 1.294 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.736 2.406 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.345 0.720 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.780 0.587 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.887 -0.014 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.353 1.185 -2.229 1.00 0.00 H new ATOM 260 N THR A 758 -1.958 4.751 -3.765 1.00 0.00 N ATOM 261 CA THR A 758 -2.728 5.966 -3.993 1.00 0.00 C ATOM 262 C THR A 758 -3.034 6.143 -5.478 1.00 0.00 C ATOM 263 O THR A 758 -4.149 6.503 -5.855 1.00 0.00 O ATOM 264 CB THR A 758 -1.963 7.182 -3.470 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.576 7.048 -3.724 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.140 7.408 -1.984 1.00 0.00 C ATOM 0 H THR A 758 -1.070 4.898 -3.286 1.00 0.00 H new ATOM 0 HA THR A 758 -3.671 5.878 -3.453 1.00 0.00 H new ATOM 0 HB THR A 758 -2.381 8.037 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.140 6.634 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.571 8.286 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.196 7.565 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.781 6.536 -1.438 1.00 0.00 H new ATOM 274 N GLU A 759 -2.033 5.889 -6.316 1.00 0.00 N ATOM 275 CA GLU A 759 -2.189 6.022 -7.760 1.00 0.00 C ATOM 276 C GLU A 759 -2.914 4.815 -8.353 1.00 0.00 C ATOM 277 O GLU A 759 -3.748 4.958 -9.246 1.00 0.00 O ATOM 278 CB GLU A 759 -0.823 6.188 -8.427 1.00 0.00 C ATOM 279 CG GLU A 759 -0.113 7.476 -8.044 1.00 0.00 C ATOM 280 CD GLU A 759 1.195 7.664 -8.789 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.266 7.275 -9.973 1.00 0.00 O ATOM 282 OE2 GLU A 759 2.148 8.202 -8.186 1.00 0.00 O ATOM 0 H GLU A 759 -1.104 5.590 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.793 6.909 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.191 5.341 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.950 6.161 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -0.768 8.323 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 759 0.081 7.475 -6.971 1.00 0.00 H new ATOM 289 N SER A 760 -2.588 3.627 -7.852 1.00 0.00 N ATOM 290 CA SER A 760 -3.207 2.395 -8.337 1.00 0.00 C ATOM 291 C SER A 760 -4.641 2.254 -7.826 1.00 0.00 C ATOM 292 O SER A 760 -5.424 1.469 -8.360 1.00 0.00 O ATOM 293 CB SER A 760 -2.374 1.183 -7.913 1.00 0.00 C ATOM 294 OG SER A 760 -2.328 1.063 -6.504 1.00 0.00 O ATOM 0 H SER A 760 -1.900 3.490 -7.112 1.00 0.00 H new ATOM 0 HA SER A 760 -3.241 2.443 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.799 0.277 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.362 1.278 -8.306 1.00 0.00 H new ATOM 0 HG SER A 760 -1.418 1.246 -6.190 1.00 0.00 H new ATOM 300 N ARG A 761 -4.979 3.023 -6.793 1.00 0.00 N ATOM 301 CA ARG A 761 -6.320 2.988 -6.215 1.00 0.00 C ATOM 302 C ARG A 761 -6.648 1.612 -5.639 1.00 0.00 C ATOM 303 O ARG A 761 -7.817 1.241 -5.528 1.00 0.00 O ATOM 304 CB ARG A 761 -7.362 3.375 -7.266 1.00 0.00 C ATOM 305 CG ARG A 761 -7.485 4.875 -7.478 1.00 0.00 C ATOM 306 CD ARG A 761 -8.087 5.563 -6.263 1.00 0.00 C ATOM 307 NE ARG A 761 -9.515 5.822 -6.432 1.00 0.00 N ATOM 308 CZ ARG A 761 -10.005 6.829 -7.149 1.00 0.00 C ATOM 309 NH1 ARG A 761 -9.187 7.676 -7.763 1.00 0.00 N ATOM 310 NH2 ARG A 761 -11.318 6.992 -7.254 1.00 0.00 N ATOM 0 H ARG A 761 -4.342 3.678 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.346 3.710 -5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.103 2.903 -8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.332 2.978 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.501 5.296 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.106 5.070 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -7.933 4.941 -5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -7.567 6.504 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 761 -10.175 5.194 -5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.177 7.556 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -9.569 8.447 -8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -11.951 6.345 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -11.694 7.765 -7.804 1.00 0.00 H new ATOM 324 N ARG A 762 -5.614 0.863 -5.270 1.00 0.00 N ATOM 325 CA ARG A 762 -5.801 -0.468 -4.702 1.00 0.00 C ATOM 326 C ARG A 762 -4.581 -0.881 -3.884 1.00 0.00 C ATOM 327 O ARG A 762 -3.443 -0.728 -4.329 1.00 0.00 O ATOM 328 CB ARG A 762 -6.069 -1.485 -5.814 1.00 0.00 C ATOM 329 CG ARG A 762 -4.837 -1.851 -6.629 1.00 0.00 C ATOM 330 CD ARG A 762 -5.200 -2.177 -8.068 1.00 0.00 C ATOM 331 NE ARG A 762 -4.092 -1.916 -8.985 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.186 -2.018 -10.308 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.334 -2.373 -10.874 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.131 -1.764 -11.070 1.00 0.00 N ATOM 0 H ARG A 762 -4.640 1.154 -5.354 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.664 -0.442 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.481 -2.392 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -6.829 -1.083 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.127 -1.024 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.340 -2.708 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.491 -3.225 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.065 -1.585 -8.367 1.00 0.00 H new ATOM 0 HE ARG A 762 -3.194 -1.640 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.150 -2.569 -10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.400 -2.450 -11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.247 -1.490 -10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.204 -1.842 -12.084 1.00 0.00 H new ATOM 348 N ALA A 763 -4.822 -1.399 -2.683 1.00 0.00 N ATOM 349 CA ALA A 763 -3.740 -1.824 -1.808 1.00 0.00 C ATOM 350 C ALA A 763 -3.578 -3.339 -1.813 1.00 0.00 C ATOM 351 O ALA A 763 -4.170 -4.042 -0.994 1.00 0.00 O ATOM 352 CB ALA A 763 -3.985 -1.327 -0.392 1.00 0.00 C ATOM 0 H ALA A 763 -5.756 -1.533 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.815 -1.389 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.169 -1.651 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.037 -0.238 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.925 -1.735 -0.021 1.00 0.00 H new ATOM 358 N SER A 764 -2.752 -3.833 -2.726 1.00 0.00 N ATOM 359 CA SER A 764 -2.485 -5.262 -2.826 1.00 0.00 C ATOM 360 C SER A 764 -0.989 -5.504 -2.743 1.00 0.00 C ATOM 361 O SER A 764 -0.226 -5.022 -3.576 1.00 0.00 O ATOM 362 CB SER A 764 -3.041 -5.824 -4.135 1.00 0.00 C ATOM 363 OG SER A 764 -4.377 -6.270 -3.974 1.00 0.00 O ATOM 0 H SER A 764 -2.254 -3.263 -3.410 1.00 0.00 H new ATOM 0 HA SER A 764 -2.980 -5.773 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 764 -3.001 -5.058 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.417 -6.651 -4.473 1.00 0.00 H new ATOM 0 HG SER A 764 -4.709 -6.623 -4.826 1.00 0.00 H new ATOM 369 N ILE A 765 -0.577 -6.241 -1.725 1.00 0.00 N ATOM 370 CA ILE A 765 0.834 -6.530 -1.516 1.00 0.00 C ATOM 371 C ILE A 765 1.496 -7.078 -2.775 1.00 0.00 C ATOM 372 O ILE A 765 2.536 -6.581 -3.203 1.00 0.00 O ATOM 373 CB ILE A 765 1.045 -7.533 -0.377 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.167 -7.185 0.828 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.510 -7.552 0.012 1.00 0.00 C ATOM 376 CD1 ILE A 765 -1.050 -8.074 0.961 1.00 0.00 C ATOM 0 H ILE A 765 -1.200 -6.651 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 765 1.297 -5.579 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 765 0.754 -8.526 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.764 -7.260 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.157 -6.148 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.662 -8.265 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.111 -7.847 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.812 -6.558 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -1.627 -7.772 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -1.668 -7.981 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 765 -0.733 -9.110 1.076 1.00 0.00 H new ATOM 388 N SER A 766 0.892 -8.104 -3.360 1.00 0.00 N ATOM 389 CA SER A 766 1.434 -8.717 -4.567 1.00 0.00 C ATOM 390 C SER A 766 1.672 -7.664 -5.644 1.00 0.00 C ATOM 391 O SER A 766 2.699 -7.670 -6.326 1.00 0.00 O ATOM 392 CB SER A 766 0.482 -9.794 -5.084 1.00 0.00 C ATOM 393 OG SER A 766 0.838 -10.208 -6.392 1.00 0.00 O ATOM 0 H SER A 766 0.029 -8.529 -3.020 1.00 0.00 H new ATOM 0 HA SER A 766 2.390 -9.179 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.499 -10.651 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.538 -9.411 -5.086 1.00 0.00 H new ATOM 0 HG SER A 766 0.214 -10.899 -6.698 1.00 0.00 H new ATOM 399 N ALA A 767 0.719 -6.753 -5.781 1.00 0.00 N ATOM 400 CA ALA A 767 0.821 -5.685 -6.765 1.00 0.00 C ATOM 401 C ALA A 767 1.901 -4.689 -6.363 1.00 0.00 C ATOM 402 O ALA A 767 2.689 -4.244 -7.198 1.00 0.00 O ATOM 403 CB ALA A 767 -0.521 -4.988 -6.931 1.00 0.00 C ATOM 0 H ALA A 767 -0.134 -6.732 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 767 1.102 -6.122 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.429 -4.192 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.267 -5.709 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.831 -4.563 -5.976 1.00 0.00 H new ATOM 409 N VAL A 768 1.945 -4.355 -5.078 1.00 0.00 N ATOM 410 CA VAL A 768 2.947 -3.426 -4.571 1.00 0.00 C ATOM 411 C VAL A 768 4.343 -3.963 -4.837 1.00 0.00 C ATOM 412 O VAL A 768 5.212 -3.243 -5.319 1.00 0.00 O ATOM 413 CB VAL A 768 2.806 -3.179 -3.055 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.800 -2.128 -2.589 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.396 -2.755 -2.704 1.00 0.00 C ATOM 0 H VAL A 768 1.302 -4.712 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 768 2.788 -2.483 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 768 3.021 -4.116 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.685 -1.968 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.814 -2.468 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.615 -1.193 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.323 -2.587 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.151 -1.834 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.697 -3.538 -2.997 1.00 0.00 H new ATOM 425 N GLN A 769 4.551 -5.233 -4.514 1.00 0.00 N ATOM 426 CA GLN A 769 5.846 -5.857 -4.716 1.00 0.00 C ATOM 427 C GLN A 769 6.176 -5.943 -6.196 1.00 0.00 C ATOM 428 O GLN A 769 7.338 -5.841 -6.587 1.00 0.00 O ATOM 429 CB GLN A 769 5.891 -7.246 -4.074 1.00 0.00 C ATOM 430 CG GLN A 769 4.968 -8.259 -4.729 1.00 0.00 C ATOM 431 CD GLN A 769 5.541 -9.663 -4.716 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.607 -10.263 -3.534 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.921 -10.200 -5.756 1.00 0.00 N flip ATOM 0 H GLN A 769 3.841 -5.846 -4.113 1.00 0.00 H new ATOM 0 HA GLN A 769 6.598 -5.235 -4.231 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.914 -7.621 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.627 -7.157 -3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.008 -8.257 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.777 -7.958 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.851 -9.701 -6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.306 -11.144 -5.731 1.00 0.00 H new ATOM 442 N ARG A 770 5.146 -6.130 -7.012 1.00 0.00 N ATOM 443 CA ARG A 770 5.320 -6.228 -8.451 1.00 0.00 C ATOM 444 C ARG A 770 5.739 -4.884 -9.046 1.00 0.00 C ATOM 445 O ARG A 770 6.609 -4.826 -9.916 1.00 0.00 O ATOM 446 CB ARG A 770 4.019 -6.711 -9.095 1.00 0.00 C ATOM 447 CG ARG A 770 4.052 -8.175 -9.502 1.00 0.00 C ATOM 448 CD ARG A 770 2.826 -8.559 -10.318 1.00 0.00 C ATOM 449 NE ARG A 770 3.172 -8.909 -11.694 1.00 0.00 N ATOM 450 CZ ARG A 770 3.912 -9.963 -12.026 1.00 0.00 C ATOM 451 NH1 ARG A 770 4.386 -10.774 -11.087 1.00 0.00 N ATOM 452 NH2 ARG A 770 4.180 -10.209 -13.301 1.00 0.00 N ATOM 0 H ARG A 770 4.179 -6.217 -6.698 1.00 0.00 H new ATOM 0 HA ARG A 770 6.113 -6.947 -8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.197 -6.555 -8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.810 -6.102 -9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.953 -8.371 -10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.106 -8.800 -8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.325 -9.403 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 770 2.119 -7.730 -10.322 1.00 0.00 H new ATOM 0 HE ARG A 770 2.826 -8.310 -12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 770 4.183 -10.590 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 770 4.953 -11.581 -11.348 1.00 0.00 H new ATOM 0 HH21 ARG A 770 3.819 -9.590 -14.027 1.00 0.00 H new ATOM 0 HH22 ARG A 770 4.748 -11.017 -13.556 1.00 0.00 H new ATOM 466 N LYS A 771 5.111 -3.808 -8.579 1.00 0.00 N ATOM 467 CA LYS A 771 5.416 -2.466 -9.072 1.00 0.00 C ATOM 468 C LYS A 771 6.695 -1.917 -8.455 1.00 0.00 C ATOM 469 O LYS A 771 7.512 -1.302 -9.140 1.00 0.00 O ATOM 470 CB LYS A 771 4.257 -1.519 -8.769 1.00 0.00 C ATOM 471 CG LYS A 771 4.134 -0.375 -9.764 1.00 0.00 C ATOM 472 CD LYS A 771 2.981 -0.593 -10.729 1.00 0.00 C ATOM 473 CE LYS A 771 2.565 0.706 -11.400 1.00 0.00 C ATOM 474 NZ LYS A 771 1.335 0.537 -12.223 1.00 0.00 N ATOM 0 H LYS A 771 4.388 -3.838 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 771 5.562 -2.538 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.326 -2.086 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.386 -1.107 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 771 3.986 0.561 -9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 771 5.064 -0.278 -10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.272 -1.319 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.131 -1.016 -10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 771 2.391 1.468 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 771 3.378 1.065 -12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 1.085 1.445 -12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 1.508 -0.171 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 0.552 0.219 -11.616 1.00 0.00 H new ATOM 488 N LEU A 772 6.858 -2.135 -7.158 1.00 0.00 N ATOM 489 CA LEU A 772 8.037 -1.653 -6.444 1.00 0.00 C ATOM 490 C LEU A 772 9.207 -2.624 -6.558 1.00 0.00 C ATOM 491 O LEU A 772 10.321 -2.310 -6.140 1.00 0.00 O ATOM 492 CB LEU A 772 7.714 -1.418 -4.965 1.00 0.00 C ATOM 493 CG LEU A 772 7.572 0.051 -4.555 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.110 0.462 -4.497 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.241 0.290 -3.209 1.00 0.00 C ATOM 0 H LEU A 772 6.191 -2.642 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 772 8.328 -0.711 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.786 -1.937 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.499 -1.873 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 772 8.067 0.663 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 772 6.038 1.509 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.655 0.328 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.587 -0.156 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.133 1.338 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.770 -0.338 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.300 0.041 -3.280 1.00 0.00 H new ATOM 507 N LYS A 773 8.956 -3.808 -7.105 1.00 0.00 N ATOM 508 CA LYS A 773 10.003 -4.809 -7.236 1.00 0.00 C ATOM 509 C LYS A 773 10.575 -5.133 -5.862 1.00 0.00 C ATOM 510 O LYS A 773 11.787 -5.265 -5.691 1.00 0.00 O ATOM 511 CB LYS A 773 11.110 -4.308 -8.165 1.00 0.00 C ATOM 512 CG LYS A 773 10.666 -4.146 -9.610 1.00 0.00 C ATOM 513 CD LYS A 773 11.631 -3.274 -10.395 1.00 0.00 C ATOM 514 CE LYS A 773 12.737 -4.098 -11.032 1.00 0.00 C ATOM 515 NZ LYS A 773 12.334 -4.636 -12.361 1.00 0.00 N ATOM 0 H LYS A 773 8.044 -4.095 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 773 9.576 -5.713 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.476 -3.350 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.947 -5.005 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.594 -5.126 -10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.670 -3.705 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 773 11.087 -2.734 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 773 12.068 -2.527 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.629 -3.482 -11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 773 13.001 -4.924 -10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.116 -5.192 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 11.498 -5.244 -12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 12.106 -3.848 -13.000 1.00 0.00 H new ATOM 529 N ILE A 774 9.683 -5.250 -4.882 1.00 0.00 N ATOM 530 CA ILE A 774 10.084 -5.550 -3.510 1.00 0.00 C ATOM 531 C ILE A 774 9.617 -6.943 -3.104 1.00 0.00 C ATOM 532 O ILE A 774 9.086 -7.692 -3.924 1.00 0.00 O ATOM 533 CB ILE A 774 9.521 -4.517 -2.506 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.005 -4.397 -2.652 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.181 -3.165 -2.707 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.359 -3.454 -1.656 1.00 0.00 C ATOM 0 H ILE A 774 8.677 -5.142 -5.012 1.00 0.00 H new ATOM 0 HA ILE A 774 11.173 -5.503 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 774 9.744 -4.864 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.774 -4.056 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.561 -5.386 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.773 -2.451 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.256 -3.258 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.989 -2.814 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.283 -3.426 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.556 -3.804 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.773 -2.453 -1.781 1.00 0.00 H new ATOM 548 N GLY A 775 9.812 -7.283 -1.837 1.00 0.00 N ATOM 549 CA GLY A 775 9.399 -8.583 -1.348 1.00 0.00 C ATOM 550 C GLY A 775 7.992 -8.557 -0.788 1.00 0.00 C ATOM 551 O GLY A 775 7.523 -7.516 -0.330 1.00 0.00 O ATOM 0 H GLY A 775 10.249 -6.681 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.453 -9.309 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.091 -8.916 -0.575 1.00 0.00 H new ATOM 555 N TYR A 776 7.312 -9.697 -0.825 1.00 0.00 N ATOM 556 CA TYR A 776 5.949 -9.783 -0.314 1.00 0.00 C ATOM 557 C TYR A 776 5.898 -9.385 1.158 1.00 0.00 C ATOM 558 O TYR A 776 5.041 -8.604 1.571 1.00 0.00 O ATOM 559 CB TYR A 776 5.401 -11.199 -0.493 1.00 0.00 C ATOM 560 CG TYR A 776 3.999 -11.372 0.043 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.783 -11.690 1.377 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.893 -11.216 -0.782 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.504 -11.848 1.875 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.611 -11.372 -0.294 1.00 0.00 C ATOM 565 CZ TYR A 776 1.421 -11.688 1.036 1.00 0.00 C ATOM 566 OH TYR A 776 0.146 -11.844 1.526 1.00 0.00 O ATOM 0 H TYR A 776 7.680 -10.571 -1.202 1.00 0.00 H new ATOM 0 HA TYR A 776 5.329 -9.090 -0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.411 -11.453 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.064 -11.903 0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.629 -11.816 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.038 -10.968 -1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.353 -12.095 2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.762 -11.247 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.502 -11.696 0.806 1.00 0.00 H new ATOM 576 N ASN A 777 6.824 -9.927 1.941 1.00 0.00 N ATOM 577 CA ASN A 777 6.889 -9.630 3.368 1.00 0.00 C ATOM 578 C ASN A 777 7.042 -8.130 3.610 1.00 0.00 C ATOM 579 O ASN A 777 6.334 -7.550 4.431 1.00 0.00 O ATOM 580 CB ASN A 777 8.054 -10.382 4.013 1.00 0.00 C ATOM 581 CG ASN A 777 7.679 -11.798 4.411 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.526 -12.205 4.280 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.657 -12.553 4.898 1.00 0.00 N ATOM 0 H ASN A 777 7.540 -10.574 1.612 1.00 0.00 H new ATOM 0 HA ASN A 777 5.954 -9.958 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.893 -10.413 3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.391 -9.837 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 777 8.466 -13.514 5.182 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.599 -12.172 4.988 1.00 0.00 H new ATOM 590 N ARG A 778 7.973 -7.507 2.889 1.00 0.00 N ATOM 591 CA ARG A 778 8.212 -6.076 3.033 1.00 0.00 C ATOM 592 C ARG A 778 7.002 -5.277 2.559 1.00 0.00 C ATOM 593 O ARG A 778 6.509 -4.397 3.266 1.00 0.00 O ATOM 594 CB ARG A 778 9.460 -5.672 2.239 1.00 0.00 C ATOM 595 CG ARG A 778 9.624 -4.171 2.063 1.00 0.00 C ATOM 596 CD ARG A 778 10.652 -3.845 0.994 1.00 0.00 C ATOM 597 NE ARG A 778 11.698 -2.953 1.494 1.00 0.00 N ATOM 598 CZ ARG A 778 12.857 -3.372 1.998 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.123 -4.670 2.086 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.752 -2.490 2.419 1.00 0.00 N ATOM 0 H ARG A 778 8.570 -7.970 2.203 1.00 0.00 H new ATOM 0 HA ARG A 778 8.375 -5.855 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.342 -6.066 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.419 -6.140 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.665 -3.728 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.927 -3.724 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.105 -4.768 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.155 -3.380 0.143 1.00 0.00 H new ATOM 0 HE ARG A 778 11.529 -1.948 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.437 -5.354 1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.013 -4.983 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.553 -1.492 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.640 -2.810 2.805 1.00 0.00 H new ATOM 614 N ALA A 779 6.529 -5.594 1.362 1.00 0.00 N ATOM 615 CA ALA A 779 5.375 -4.915 0.789 1.00 0.00 C ATOM 616 C ALA A 779 4.183 -4.985 1.738 1.00 0.00 C ATOM 617 O ALA A 779 3.560 -3.970 2.038 1.00 0.00 O ATOM 618 CB ALA A 779 5.025 -5.517 -0.563 1.00 0.00 C ATOM 0 H ALA A 779 6.928 -6.320 0.767 1.00 0.00 H new ATOM 0 HA ALA A 779 5.629 -3.865 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.161 -4.999 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.873 -5.409 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.790 -6.574 -0.441 1.00 0.00 H new ATOM 624 N ALA A 780 3.878 -6.189 2.215 1.00 0.00 N ATOM 625 CA ALA A 780 2.770 -6.383 3.140 1.00 0.00 C ATOM 626 C ALA A 780 2.973 -5.559 4.407 1.00 0.00 C ATOM 627 O ALA A 780 2.040 -4.926 4.903 1.00 0.00 O ATOM 628 CB ALA A 780 2.615 -7.858 3.484 1.00 0.00 C ATOM 0 H ALA A 780 4.383 -7.042 1.976 1.00 0.00 H new ATOM 0 HA ALA A 780 1.856 -6.042 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.783 -7.985 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.420 -8.425 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.532 -8.222 3.949 1.00 0.00 H new ATOM 634 N ARG A 781 4.201 -5.560 4.920 1.00 0.00 N ATOM 635 CA ARG A 781 4.524 -4.798 6.122 1.00 0.00 C ATOM 636 C ARG A 781 4.230 -3.323 5.894 1.00 0.00 C ATOM 637 O ARG A 781 3.564 -2.674 6.703 1.00 0.00 O ATOM 638 CB ARG A 781 5.995 -4.989 6.496 1.00 0.00 C ATOM 639 CG ARG A 781 6.250 -6.217 7.357 1.00 0.00 C ATOM 640 CD ARG A 781 6.467 -5.842 8.815 1.00 0.00 C ATOM 641 NE ARG A 781 6.951 -6.972 9.603 1.00 0.00 N ATOM 642 CZ ARG A 781 8.167 -7.498 9.477 1.00 0.00 C ATOM 643 NH1 ARG A 781 9.025 -6.997 8.597 1.00 0.00 N ATOM 644 NH2 ARG A 781 8.527 -8.527 10.233 1.00 0.00 N ATOM 0 H ARG A 781 4.985 -6.078 4.524 1.00 0.00 H new ATOM 0 HA ARG A 781 3.907 -5.162 6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.586 -5.066 5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.344 -4.104 7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.404 -6.900 7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 781 7.125 -6.749 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 781 7.184 -5.023 8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 781 5.531 -5.478 9.239 1.00 0.00 H new ATOM 0 HE ARG A 781 6.320 -7.383 10.291 1.00 0.00 H new ATOM 0 HH11 ARG A 781 8.754 -6.205 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 781 9.956 -7.403 8.504 1.00 0.00 H new ATOM 0 HH21 ARG A 781 7.872 -8.915 10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 781 9.459 -8.930 10.136 1.00 0.00 H new ATOM 658 N MET A 782 4.711 -2.804 4.770 1.00 0.00 N ATOM 659 CA MET A 782 4.482 -1.414 4.414 1.00 0.00 C ATOM 660 C MET A 782 2.997 -1.191 4.173 1.00 0.00 C ATOM 661 O MET A 782 2.449 -0.139 4.499 1.00 0.00 O ATOM 662 CB MET A 782 5.297 -1.049 3.173 1.00 0.00 C ATOM 663 CG MET A 782 6.794 -1.131 3.413 1.00 0.00 C ATOM 664 SD MET A 782 7.770 -0.262 2.171 1.00 0.00 S ATOM 665 CE MET A 782 7.013 -0.836 0.653 1.00 0.00 C ATOM 0 H MET A 782 5.262 -3.328 4.091 1.00 0.00 H new ATOM 0 HA MET A 782 4.804 -0.770 5.232 1.00 0.00 H new ATOM 0 HB2 MET A 782 5.027 -1.718 2.356 1.00 0.00 H new ATOM 0 HB3 MET A 782 5.038 -0.038 2.857 1.00 0.00 H new ATOM 0 HG2 MET A 782 7.020 -0.717 4.396 1.00 0.00 H new ATOM 0 HG3 MET A 782 7.094 -2.179 3.432 1.00 0.00 H new ATOM 0 HE1 MET A 782 7.443 -0.301 -0.193 1.00 0.00 H new ATOM 0 HE2 MET A 782 7.195 -1.904 0.537 1.00 0.00 H new ATOM 0 HE3 MET A 782 5.939 -0.653 0.690 1.00 0.00 H new ATOM 675 N ILE A 783 2.346 -2.211 3.628 1.00 0.00 N ATOM 676 CA ILE A 783 0.919 -2.155 3.370 1.00 0.00 C ATOM 677 C ILE A 783 0.175 -2.047 4.699 1.00 0.00 C ATOM 678 O ILE A 783 -0.822 -1.330 4.815 1.00 0.00 O ATOM 679 CB ILE A 783 0.460 -3.401 2.573 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.871 -3.263 1.102 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.042 -3.625 2.687 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.034 -2.353 0.290 1.00 0.00 C ATOM 0 H ILE A 783 2.789 -3.089 3.356 1.00 0.00 H new ATOM 0 HA ILE A 783 0.692 -1.278 2.764 1.00 0.00 H new ATOM 0 HB ILE A 783 0.952 -4.273 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.891 -2.880 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.880 -4.252 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.323 -4.509 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.310 -3.771 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.570 -2.756 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.324 -2.308 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.051 -2.745 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.025 -1.352 0.721 1.00 0.00 H new ATOM 694 N GLU A 784 0.700 -2.727 5.715 1.00 0.00 N ATOM 695 CA GLU A 784 0.117 -2.665 7.044 1.00 0.00 C ATOM 696 C GLU A 784 0.261 -1.243 7.561 1.00 0.00 C ATOM 697 O GLU A 784 -0.656 -0.681 8.166 1.00 0.00 O ATOM 698 CB GLU A 784 0.812 -3.648 7.985 1.00 0.00 C ATOM 699 CG GLU A 784 0.250 -5.058 7.914 1.00 0.00 C ATOM 700 CD GLU A 784 -0.468 -5.467 9.186 1.00 0.00 C ATOM 701 OE1 GLU A 784 -0.883 -4.569 9.948 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.614 -6.685 9.420 1.00 0.00 O ATOM 0 H GLU A 784 1.524 -3.323 5.640 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.936 -2.941 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.875 -3.677 7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 784 0.725 -3.282 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.441 -5.128 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 784 1.062 -5.759 7.718 1.00 0.00 H new ATOM 709 N ALA A 785 1.421 -0.653 7.275 1.00 0.00 N ATOM 710 CA ALA A 785 1.697 0.720 7.662 1.00 0.00 C ATOM 711 C ALA A 785 0.678 1.641 7.016 1.00 0.00 C ATOM 712 O ALA A 785 0.264 2.641 7.599 1.00 0.00 O ATOM 713 CB ALA A 785 3.105 1.121 7.245 1.00 0.00 C ATOM 0 H ALA A 785 2.183 -1.110 6.775 1.00 0.00 H new ATOM 0 HA ALA A 785 1.626 0.804 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.293 2.152 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.829 0.465 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.203 1.033 6.163 1.00 0.00 H new ATOM 719 N MET A 786 0.268 1.280 5.802 1.00 0.00 N ATOM 720 CA MET A 786 -0.717 2.055 5.068 1.00 0.00 C ATOM 721 C MET A 786 -2.067 1.977 5.768 1.00 0.00 C ATOM 722 O MET A 786 -2.801 2.960 5.844 1.00 0.00 O ATOM 723 CB MET A 786 -0.842 1.540 3.634 1.00 0.00 C ATOM 724 CG MET A 786 0.151 2.172 2.681 1.00 0.00 C ATOM 725 SD MET A 786 -0.129 1.696 0.965 1.00 0.00 S ATOM 726 CE MET A 786 1.314 0.685 0.650 1.00 0.00 C ATOM 0 H MET A 786 0.606 0.453 5.309 1.00 0.00 H new ATOM 0 HA MET A 786 -0.390 3.094 5.037 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.701 0.459 3.630 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.853 1.731 3.274 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.090 3.257 2.767 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.161 1.885 2.973 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.199 0.174 -0.306 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.201 1.317 0.619 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.422 -0.053 1.445 1.00 0.00 H new ATOM 736 N GLU A 787 -2.384 0.792 6.281 1.00 0.00 N ATOM 737 CA GLU A 787 -3.642 0.577 6.985 1.00 0.00 C ATOM 738 C GLU A 787 -3.750 1.501 8.189 1.00 0.00 C ATOM 739 O GLU A 787 -4.724 2.239 8.340 1.00 0.00 O ATOM 740 CB GLU A 787 -3.750 -0.878 7.444 1.00 0.00 C ATOM 741 CG GLU A 787 -4.698 -1.710 6.602 1.00 0.00 C ATOM 742 CD GLU A 787 -6.154 -1.354 6.838 1.00 0.00 C ATOM 743 OE1 GLU A 787 -6.512 -0.172 6.656 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.934 -2.257 7.205 1.00 0.00 O ATOM 0 H GLU A 787 -1.787 -0.033 6.222 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.458 0.799 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.760 -1.333 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.084 -0.899 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -4.460 -1.570 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.545 -2.766 6.826 1.00 0.00 H new ATOM 751 N MET A 788 -2.738 1.447 9.042 1.00 0.00 N ATOM 752 CA MET A 788 -2.702 2.269 10.245 1.00 0.00 C ATOM 753 C MET A 788 -2.485 3.740 9.900 1.00 0.00 C ATOM 754 O MET A 788 -3.064 4.629 10.526 1.00 0.00 O ATOM 755 CB MET A 788 -1.592 1.785 11.175 1.00 0.00 C ATOM 756 CG MET A 788 -1.962 0.543 11.968 1.00 0.00 C ATOM 757 SD MET A 788 -0.981 0.358 13.468 1.00 0.00 S ATOM 758 CE MET A 788 0.658 0.729 12.851 1.00 0.00 C ATOM 0 H MET A 788 -1.927 0.840 8.924 1.00 0.00 H new ATOM 0 HA MET A 788 -3.664 2.175 10.749 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.700 1.577 10.585 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.335 2.586 11.869 1.00 0.00 H new ATOM 0 HG2 MET A 788 -3.018 0.587 12.233 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.828 -0.338 11.340 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.403 0.387 13.569 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.812 0.221 11.899 1.00 0.00 H new ATOM 0 HE3 MET A 788 0.758 1.805 12.708 1.00 0.00 H new ATOM 768 N ALA A 789 -1.644 3.986 8.904 1.00 0.00 N ATOM 769 CA ALA A 789 -1.338 5.345 8.470 1.00 0.00 C ATOM 770 C ALA A 789 -2.562 6.032 7.875 1.00 0.00 C ATOM 771 O ALA A 789 -2.622 7.259 7.803 1.00 0.00 O ATOM 772 CB ALA A 789 -0.210 5.327 7.449 1.00 0.00 C ATOM 0 H ALA A 789 -1.159 3.259 8.378 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.026 5.911 9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 789 0.010 6.346 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.680 4.886 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.511 4.735 6.585 1.00 0.00 H new ATOM 778 N GLY A 790 -3.527 5.235 7.432 1.00 0.00 N ATOM 779 CA GLY A 790 -4.725 5.789 6.830 1.00 0.00 C ATOM 780 C GLY A 790 -4.585 5.936 5.327 1.00 0.00 C ATOM 781 O GLY A 790 -5.373 6.630 4.685 1.00 0.00 O ATOM 0 H GLY A 790 -3.502 4.216 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.575 5.145 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -4.937 6.763 7.272 1.00 0.00 H new ATOM 785 N VAL A 791 -3.573 5.277 4.767 1.00 0.00 N ATOM 786 CA VAL A 791 -3.313 5.324 3.336 1.00 0.00 C ATOM 787 C VAL A 791 -4.157 4.302 2.595 1.00 0.00 C ATOM 788 O VAL A 791 -4.541 4.514 1.445 1.00 0.00 O ATOM 789 CB VAL A 791 -1.827 5.068 3.042 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.522 5.289 1.569 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.960 5.960 3.915 1.00 0.00 C ATOM 0 H VAL A 791 -2.916 4.700 5.291 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.579 6.322 2.988 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.600 4.028 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.464 5.102 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.122 4.606 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.761 6.317 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.091 5.770 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.190 7.005 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.159 5.745 4.965 1.00 0.00 H new ATOM 801 N VAL A 792 -4.455 3.196 3.264 1.00 0.00 N ATOM 802 CA VAL A 792 -5.269 2.148 2.666 1.00 0.00 C ATOM 803 C VAL A 792 -6.296 1.614 3.655 1.00 0.00 C ATOM 804 O VAL A 792 -6.003 1.435 4.836 1.00 0.00 O ATOM 805 CB VAL A 792 -4.400 0.987 2.150 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.361 1.503 1.174 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.735 0.253 3.303 1.00 0.00 C ATOM 0 H VAL A 792 -4.147 3.002 4.217 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.792 2.596 1.821 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.046 0.280 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.753 0.672 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.860 1.978 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.722 2.231 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.127 -0.563 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.101 0.945 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.500 -0.150 3.967 1.00 0.00 H new ATOM 817 N THR A 793 -7.501 1.354 3.161 1.00 0.00 N ATOM 818 CA THR A 793 -8.570 0.832 4.000 1.00 0.00 C ATOM 819 C THR A 793 -8.463 -0.690 4.089 1.00 0.00 C ATOM 820 O THR A 793 -7.824 -1.318 3.246 1.00 0.00 O ATOM 821 CB THR A 793 -9.943 1.229 3.442 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.361 0.317 2.445 1.00 0.00 O ATOM 823 CG2 THR A 793 -9.982 2.618 2.835 1.00 0.00 C ATOM 0 H THR A 793 -7.761 1.496 2.185 1.00 0.00 H new ATOM 0 HA THR A 793 -8.468 1.260 4.997 1.00 0.00 H new ATOM 0 HB THR A 793 -10.610 1.215 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.340 0.311 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 793 -10.986 2.824 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.718 3.354 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.271 2.675 2.011 1.00 0.00 H new ATOM 831 N PRO A 794 -9.087 -1.313 5.104 1.00 0.00 N ATOM 832 CA PRO A 794 -9.045 -2.768 5.269 1.00 0.00 C ATOM 833 C PRO A 794 -9.614 -3.494 4.055 1.00 0.00 C ATOM 834 O PRO A 794 -10.240 -2.881 3.190 1.00 0.00 O ATOM 835 CB PRO A 794 -9.913 -3.025 6.507 1.00 0.00 C ATOM 836 CG PRO A 794 -10.732 -1.792 6.668 1.00 0.00 C ATOM 837 CD PRO A 794 -9.880 -0.664 6.159 1.00 0.00 C ATOM 0 HA PRO A 794 -8.025 -3.136 5.376 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.544 -3.903 6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.298 -3.208 7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.662 -1.864 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.003 -1.637 7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.483 0.155 5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.248 -0.247 6.943 1.00 0.00 H new ATOM 845 N MET A 795 -9.389 -4.800 3.995 1.00 0.00 N ATOM 846 CA MET A 795 -9.872 -5.610 2.887 1.00 0.00 C ATOM 847 C MET A 795 -11.388 -5.759 2.933 1.00 0.00 C ATOM 848 O MET A 795 -12.005 -5.618 3.989 1.00 0.00 O ATOM 849 CB MET A 795 -9.214 -6.989 2.919 1.00 0.00 C ATOM 850 CG MET A 795 -7.724 -6.952 3.225 1.00 0.00 C ATOM 851 SD MET A 795 -7.256 -8.075 4.558 1.00 0.00 S ATOM 852 CE MET A 795 -5.629 -8.588 4.012 1.00 0.00 C ATOM 0 H MET A 795 -8.873 -5.321 4.704 1.00 0.00 H new ATOM 0 HA MET A 795 -9.607 -5.104 1.959 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.714 -7.602 3.668 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.366 -7.476 1.956 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.166 -7.211 2.325 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.438 -5.935 3.495 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.206 -9.287 4.734 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.708 -9.074 3.040 1.00 0.00 H new ATOM 0 HE3 MET A 795 -4.981 -7.715 3.929 1.00 0.00 H new ATOM 862 N ASN A 796 -11.981 -6.047 1.778 1.00 0.00 N ATOM 863 CA ASN A 796 -13.425 -6.219 1.682 1.00 0.00 C ATOM 864 C ASN A 796 -13.787 -7.694 1.533 1.00 0.00 C ATOM 865 O ASN A 796 -12.909 -8.552 1.444 1.00 0.00 O ATOM 866 CB ASN A 796 -13.978 -5.423 0.497 1.00 0.00 C ATOM 867 CG ASN A 796 -13.376 -5.849 -0.820 1.00 0.00 C ATOM 868 OD1 ASN A 796 -12.974 -7.000 -0.994 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.310 -4.917 -1.758 1.00 0.00 N ATOM 0 H ASN A 796 -11.483 -6.166 0.896 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.873 -5.844 2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -15.060 -5.546 0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -13.784 -4.362 0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -12.913 -5.139 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.656 -3.977 -1.568 1.00 0.00 H new ATOM 876 N THR A 797 -15.084 -7.982 1.506 1.00 0.00 N ATOM 877 CA THR A 797 -15.561 -9.355 1.367 1.00 0.00 C ATOM 878 C THR A 797 -15.015 -9.998 0.096 1.00 0.00 C ATOM 879 O THR A 797 -14.745 -11.199 0.062 1.00 0.00 O ATOM 880 CB THR A 797 -17.089 -9.386 1.350 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.562 -10.713 1.198 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.692 -8.553 0.240 1.00 0.00 C ATOM 0 H THR A 797 -15.824 -7.284 1.578 1.00 0.00 H new ATOM 0 HA THR A 797 -15.201 -9.925 2.223 1.00 0.00 H new ATOM 0 HB THR A 797 -17.397 -8.964 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.542 -10.712 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.779 -8.619 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.386 -7.513 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.346 -8.926 -0.724 1.00 0.00 H new ATOM 890 N ASN A 798 -14.853 -9.191 -0.947 1.00 0.00 N ATOM 891 CA ASN A 798 -14.340 -9.684 -2.221 1.00 0.00 C ATOM 892 C ASN A 798 -12.849 -10.007 -2.127 1.00 0.00 C ATOM 893 O ASN A 798 -12.308 -10.722 -2.971 1.00 0.00 O ATOM 894 CB ASN A 798 -14.579 -8.650 -3.324 1.00 0.00 C ATOM 895 CG ASN A 798 -15.844 -8.920 -4.104 1.00 0.00 C ATOM 896 OD1 ASN A 798 -16.357 -10.038 -4.117 1.00 0.00 O ATOM 897 ND2 ASN A 798 -16.352 -7.888 -4.761 1.00 0.00 N ATOM 0 H ASN A 798 -15.069 -8.194 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.875 -10.602 -2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.635 -7.656 -2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.729 -8.648 -4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -17.205 -8.002 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.890 -6.980 -4.720 1.00 0.00 H new ATOM 904 N GLY A 799 -12.190 -9.479 -1.099 1.00 0.00 N ATOM 905 CA GLY A 799 -10.771 -9.729 -0.923 1.00 0.00 C ATOM 906 C GLY A 799 -9.910 -8.657 -1.562 1.00 0.00 C ATOM 907 O GLY A 799 -8.776 -8.920 -1.962 1.00 0.00 O ATOM 0 H GLY A 799 -12.613 -8.884 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.545 -9.786 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.520 -10.698 -1.355 1.00 0.00 H new ATOM 911 N SER A 800 -10.450 -7.447 -1.659 1.00 0.00 N ATOM 912 CA SER A 800 -9.722 -6.332 -2.255 1.00 0.00 C ATOM 913 C SER A 800 -9.715 -5.125 -1.321 1.00 0.00 C ATOM 914 O SER A 800 -10.746 -4.756 -0.760 1.00 0.00 O ATOM 915 CB SER A 800 -10.343 -5.947 -3.597 1.00 0.00 C ATOM 916 OG SER A 800 -9.840 -6.760 -4.644 1.00 0.00 O ATOM 0 H SER A 800 -11.388 -7.213 -1.333 1.00 0.00 H new ATOM 0 HA SER A 800 -8.692 -6.650 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.427 -6.049 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 800 -10.131 -4.900 -3.812 1.00 0.00 H new ATOM 0 HG SER A 800 -10.254 -6.495 -5.492 1.00 0.00 H new ATOM 922 N ARG A 801 -8.545 -4.519 -1.160 1.00 0.00 N ATOM 923 CA ARG A 801 -8.398 -3.356 -0.293 1.00 0.00 C ATOM 924 C ARG A 801 -8.738 -2.069 -1.030 1.00 0.00 C ATOM 925 O ARG A 801 -8.907 -2.057 -2.250 1.00 0.00 O ATOM 926 CB ARG A 801 -6.971 -3.266 0.244 1.00 0.00 C ATOM 927 CG ARG A 801 -6.764 -4.002 1.553 1.00 0.00 C ATOM 928 CD ARG A 801 -5.318 -4.438 1.715 1.00 0.00 C ATOM 929 NE ARG A 801 -4.945 -4.608 3.116 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.144 -3.777 3.783 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.664 -2.684 3.199 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.832 -4.035 5.045 1.00 0.00 N ATOM 0 H ARG A 801 -7.683 -4.814 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.094 -3.478 0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.286 -3.669 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.710 -2.217 0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -7.048 -3.357 2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.416 -4.875 1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.162 -5.377 1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.664 -3.698 1.254 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.321 -5.414 3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -3.908 -2.474 2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.052 -2.055 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.204 -4.867 5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.219 -3.402 5.559 1.00 0.00 H new ATOM 946 N GLU A 802 -8.820 -0.983 -0.274 1.00 0.00 N ATOM 947 CA GLU A 802 -9.121 0.326 -0.835 1.00 0.00 C ATOM 948 C GLU A 802 -8.118 1.356 -0.326 1.00 0.00 C ATOM 949 O GLU A 802 -7.364 1.087 0.609 1.00 0.00 O ATOM 950 CB GLU A 802 -10.546 0.752 -0.474 1.00 0.00 C ATOM 951 CG GLU A 802 -11.527 0.631 -1.629 1.00 0.00 C ATOM 952 CD GLU A 802 -12.969 0.565 -1.166 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.437 -0.546 -0.839 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.631 1.624 -1.133 1.00 0.00 O ATOM 0 H GLU A 802 -8.681 -0.984 0.736 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.045 0.264 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.899 0.142 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.531 1.785 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.403 1.483 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.294 -0.263 -2.207 1.00 0.00 H new ATOM 961 N VAL A 803 -8.104 2.529 -0.945 1.00 0.00 N ATOM 962 CA VAL A 803 -7.180 3.582 -0.544 1.00 0.00 C ATOM 963 C VAL A 803 -7.905 4.736 0.137 1.00 0.00 C ATOM 964 O VAL A 803 -8.947 5.194 -0.332 1.00 0.00 O ATOM 965 CB VAL A 803 -6.391 4.133 -1.746 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.307 5.089 -1.275 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.794 2.995 -2.561 1.00 0.00 C ATOM 0 H VAL A 803 -8.718 2.775 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.486 3.126 0.163 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.077 4.685 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.758 5.470 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.763 5.921 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.621 4.563 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.240 3.404 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.120 2.413 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.594 2.352 -2.928 1.00 0.00 H new ATOM 977 N ILE A 804 -7.332 5.214 1.236 1.00 0.00 N ATOM 978 CA ILE A 804 -7.909 6.331 1.975 1.00 0.00 C ATOM 979 C ILE A 804 -7.115 7.606 1.710 1.00 0.00 C ATOM 980 O ILE A 804 -7.654 8.711 1.768 1.00 0.00 O ATOM 981 CB ILE A 804 -7.959 6.077 3.504 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.233 4.779 3.881 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.399 6.041 3.983 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.262 4.480 5.365 1.00 0.00 C ATOM 0 H ILE A 804 -6.469 4.846 1.635 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.934 6.440 1.621 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.443 6.900 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.688 3.948 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.196 4.843 3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.420 5.862 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.879 6.995 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.933 5.240 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.730 3.548 5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.781 5.293 5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.296 4.383 5.697 1.00 0.00 H new ATOM 996 N ALA A 805 -5.828 7.439 1.416 1.00 0.00 N ATOM 997 CA ALA A 805 -4.955 8.565 1.136 1.00 0.00 C ATOM 998 C ALA A 805 -5.117 9.033 -0.309 1.00 0.00 C ATOM 999 O ALA A 805 -4.958 8.248 -1.244 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.505 8.191 1.410 1.00 0.00 C ATOM 0 H ALA A 805 -5.370 6.529 1.367 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.237 9.386 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.862 9.045 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.394 7.907 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.219 7.353 0.774 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.437 10.321 -0.515 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.619 10.887 -1.856 1.00 0.00 C ATOM 1008 C PRO A 806 -4.331 10.864 -2.670 1.00 0.00 C ATOM 1009 O PRO A 806 -3.242 10.691 -2.125 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.057 12.329 -1.585 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.561 12.624 -0.214 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.645 11.327 0.538 1.00 0.00 C ATOM 0 HA PRO A 806 -6.339 10.317 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.631 13.016 -2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.141 12.431 -1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.537 12.995 -0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.167 13.393 0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.884 11.261 1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.612 11.206 1.027 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.467 11.039 -3.978 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.317 11.035 -4.874 1.00 0.00 C ATOM 1022 C ALA A 807 -2.775 12.447 -5.083 1.00 0.00 C ATOM 1023 O ALA A 807 -3.430 13.430 -4.736 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.691 10.409 -6.209 1.00 0.00 C ATOM 0 H ALA A 807 -5.363 11.186 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.531 10.438 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.823 10.413 -6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.022 9.383 -6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.497 10.983 -6.667 1.00 0.00 H new