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= -1.06 USER MOD Single : A 758 THR OG1 : rot -100:sc= -0.0018 USER MOD Single : A 760 SER OG : rot 180:sc= -1.12 USER MOD Single : A 764 SER OG : rot 180:sc= -0.269 USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 769 GLN :FLIP amide:sc= -0.231 F(o=-1.4,f=-0.23) 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 K(o=0,f=-0.82) USER MOD Single : A 782 MET CE :methyl 168:sc= -10.1! (180deg=-10.3!) USER MOD Single : A 786 MET CE :methyl 155:sc= -5.67! (180deg=-6.32!) USER MOD Single : A 788 MET CE :methyl -169:sc= 0 (180deg=-0.138) USER MOD Single : A 793 THR OG1 : rot 130:sc= -1.21 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.7!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.95) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.584 -0.848 7.547 1.00 0.00 N ATOM 37 CA GLY A 743 7.352 -0.392 6.928 1.00 0.00 C ATOM 38 C GLY A 743 6.317 0.044 7.948 1.00 0.00 C ATOM 39 O GLY A 743 5.362 -0.683 8.221 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.571 0.440 6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.939 -1.193 6.315 1.00 0.00 H new ATOM 43 N SER A 744 6.506 1.233 8.512 1.00 0.00 N ATOM 44 CA SER A 744 5.580 1.766 9.507 1.00 0.00 C ATOM 45 C SER A 744 4.906 3.031 8.993 1.00 0.00 C ATOM 46 O SER A 744 3.689 3.079 8.823 1.00 0.00 O ATOM 47 CB SER A 744 6.317 2.061 10.815 1.00 0.00 C ATOM 48 OG SER A 744 7.161 0.983 11.180 1.00 0.00 O ATOM 0 H SER A 744 7.292 1.846 8.297 1.00 0.00 H new ATOM 0 HA SER A 744 4.812 1.015 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.909 2.969 10.705 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.594 2.246 11.610 1.00 0.00 H new ATOM 0 HG SER A 744 7.622 1.197 12.018 1.00 0.00 H new ATOM 54 N GLU A 745 5.715 4.049 8.736 1.00 0.00 N ATOM 55 CA GLU A 745 5.216 5.318 8.226 1.00 0.00 C ATOM 56 C GLU A 745 6.163 5.869 7.172 1.00 0.00 C ATOM 57 O GLU A 745 5.746 6.233 6.073 1.00 0.00 O ATOM 58 CB GLU A 745 5.044 6.331 9.358 1.00 0.00 C ATOM 59 CG GLU A 745 4.163 7.510 8.980 1.00 0.00 C ATOM 60 CD GLU A 745 4.764 8.843 9.384 1.00 0.00 C ATOM 61 OE1 GLU A 745 5.357 8.917 10.481 1.00 0.00 O ATOM 62 OE2 GLU A 745 4.641 9.810 8.604 1.00 0.00 O ATOM 0 H GLU A 745 6.725 4.020 8.873 1.00 0.00 H new ATOM 0 HA GLU A 745 4.241 5.143 7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.614 5.828 10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.025 6.700 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 745 3.996 7.503 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.188 7.397 9.454 1.00 0.00 H new ATOM 69 N ASP A 746 7.445 5.909 7.512 1.00 0.00 N ATOM 70 CA ASP A 746 8.461 6.396 6.592 1.00 0.00 C ATOM 71 C ASP A 746 9.537 5.336 6.380 1.00 0.00 C ATOM 72 O ASP A 746 10.484 5.228 7.159 1.00 0.00 O ATOM 73 CB ASP A 746 9.091 7.684 7.125 1.00 0.00 C ATOM 74 CG ASP A 746 8.418 8.927 6.578 1.00 0.00 C ATOM 75 OD1 ASP A 746 8.215 8.999 5.347 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.093 9.828 7.378 1.00 0.00 O ATOM 0 H ASP A 746 7.804 5.610 8.418 1.00 0.00 H new ATOM 0 HA ASP A 746 7.985 6.609 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.031 7.691 8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.149 7.703 6.864 1.00 0.00 H new ATOM 81 N ASP A 747 9.379 4.561 5.315 1.00 0.00 N ATOM 82 CA ASP A 747 10.328 3.508 4.978 1.00 0.00 C ATOM 83 C ASP A 747 10.891 3.727 3.577 1.00 0.00 C ATOM 84 O ASP A 747 10.169 4.152 2.675 1.00 0.00 O ATOM 85 CB ASP A 747 9.650 2.138 5.065 1.00 0.00 C ATOM 86 CG ASP A 747 10.593 0.995 4.742 1.00 0.00 C ATOM 87 OD1 ASP A 747 10.734 0.662 3.546 1.00 0.00 O ATOM 88 OD2 ASP A 747 11.192 0.435 5.684 1.00 0.00 O ATOM 0 H ASP A 747 8.597 4.643 4.666 1.00 0.00 H new ATOM 0 HA ASP A 747 11.150 3.540 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.248 1.999 6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.805 2.111 4.377 1.00 0.00 H new ATOM 93 N PRO A 748 12.190 3.436 3.375 1.00 0.00 N ATOM 94 CA PRO A 748 12.860 3.597 2.084 1.00 0.00 C ATOM 95 C PRO A 748 11.963 3.322 0.880 1.00 0.00 C ATOM 96 O PRO A 748 12.146 3.917 -0.182 1.00 0.00 O ATOM 97 CB PRO A 748 13.970 2.556 2.173 1.00 0.00 C ATOM 98 CG PRO A 748 14.364 2.559 3.612 1.00 0.00 C ATOM 99 CD PRO A 748 13.126 2.922 4.399 1.00 0.00 C ATOM 0 HA PRO A 748 13.194 4.622 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.619 1.573 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.811 2.815 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.741 1.581 3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.163 3.278 3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.714 2.056 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.341 3.675 5.157 1.00 0.00 H new ATOM 107 N LEU A 749 11.008 2.410 1.033 1.00 0.00 N ATOM 108 CA LEU A 749 10.118 2.069 -0.071 1.00 0.00 C ATOM 109 C LEU A 749 8.645 2.337 0.249 1.00 0.00 C ATOM 110 O LEU A 749 7.818 2.402 -0.662 1.00 0.00 O ATOM 111 CB LEU A 749 10.303 0.597 -0.438 1.00 0.00 C ATOM 112 CG LEU A 749 11.683 0.234 -0.984 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.925 -1.264 -0.874 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.821 0.695 -2.425 1.00 0.00 C ATOM 0 H LEU A 749 10.832 1.900 1.898 1.00 0.00 H new ATOM 0 HA LEU A 749 10.385 2.710 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.108 -0.009 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.553 0.327 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 749 12.437 0.746 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.913 -1.503 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.869 -1.566 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.167 -1.798 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.810 0.429 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 749 11.059 0.211 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.693 1.776 -2.475 1.00 0.00 H new ATOM 126 N TYR A 750 8.305 2.492 1.530 1.00 0.00 N ATOM 127 CA TYR A 750 6.910 2.736 1.902 1.00 0.00 C ATOM 128 C TYR A 750 6.341 3.914 1.133 1.00 0.00 C ATOM 129 O TYR A 750 5.252 3.829 0.584 1.00 0.00 O ATOM 130 CB TYR A 750 6.756 2.979 3.402 1.00 0.00 C ATOM 131 CG TYR A 750 5.340 3.332 3.817 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.423 2.338 4.142 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.924 4.655 3.899 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.136 2.652 4.531 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.641 4.978 4.296 1.00 0.00 C ATOM 136 CZ TYR A 750 2.750 3.971 4.608 1.00 0.00 C ATOM 137 OH TYR A 750 1.471 4.289 5.003 1.00 0.00 O ATOM 0 H TYR A 750 8.959 2.454 2.312 1.00 0.00 H new ATOM 0 HA TYR A 750 6.352 1.836 1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.072 2.086 3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.425 3.785 3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.723 1.302 4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.616 5.445 3.648 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.436 1.867 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.337 6.012 4.362 1.00 0.00 H new ATOM 0 HH TYR A 750 1.455 5.203 5.356 1.00 0.00 H new ATOM 147 N ASP A 751 7.080 5.013 1.088 1.00 0.00 N ATOM 148 CA ASP A 751 6.621 6.192 0.366 1.00 0.00 C ATOM 149 C ASP A 751 6.253 5.809 -1.063 1.00 0.00 C ATOM 150 O ASP A 751 5.278 6.311 -1.623 1.00 0.00 O ATOM 151 CB ASP A 751 7.705 7.272 0.360 1.00 0.00 C ATOM 152 CG ASP A 751 7.230 8.563 -0.279 1.00 0.00 C ATOM 153 OD1 ASP A 751 7.065 8.587 -1.516 1.00 0.00 O ATOM 154 OD2 ASP A 751 7.025 9.549 0.460 1.00 0.00 O ATOM 0 H ASP A 751 7.990 5.114 1.537 1.00 0.00 H new ATOM 0 HA ASP A 751 5.740 6.592 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.021 7.471 1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.579 6.903 -0.178 1.00 0.00 H new ATOM 159 N GLU A 752 7.030 4.892 -1.634 1.00 0.00 N ATOM 160 CA GLU A 752 6.777 4.415 -2.984 1.00 0.00 C ATOM 161 C GLU A 752 5.524 3.545 -3.012 1.00 0.00 C ATOM 162 O GLU A 752 4.702 3.651 -3.919 1.00 0.00 O ATOM 163 CB GLU A 752 7.983 3.635 -3.505 1.00 0.00 C ATOM 164 CG GLU A 752 7.925 3.349 -4.997 1.00 0.00 C ATOM 165 CD GLU A 752 9.259 2.890 -5.553 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.299 3.206 -4.939 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.262 2.215 -6.605 1.00 0.00 O ATOM 0 H GLU A 752 7.839 4.467 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 752 6.615 5.275 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.891 4.197 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 752 8.055 2.691 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 752 7.173 2.584 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.606 4.248 -5.524 1.00 0.00 H new ATOM 174 N ALA A 753 5.384 2.695 -1.998 1.00 0.00 N ATOM 175 CA ALA A 753 4.225 1.813 -1.887 1.00 0.00 C ATOM 176 C ALA A 753 2.955 2.637 -1.746 1.00 0.00 C ATOM 177 O ALA A 753 1.991 2.454 -2.488 1.00 0.00 O ATOM 178 CB ALA A 753 4.381 0.875 -0.699 1.00 0.00 C ATOM 0 H ALA A 753 6.060 2.598 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 753 4.156 1.211 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.509 0.225 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.277 0.268 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.470 1.459 0.217 1.00 0.00 H new ATOM 184 N VAL A 754 2.978 3.563 -0.795 1.00 0.00 N ATOM 185 CA VAL A 754 1.852 4.446 -0.548 1.00 0.00 C ATOM 186 C VAL A 754 1.493 5.192 -1.827 1.00 0.00 C ATOM 187 O VAL A 754 0.320 5.339 -2.165 1.00 0.00 O ATOM 188 CB VAL A 754 2.192 5.442 0.587 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.471 6.771 0.422 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.866 4.827 1.934 1.00 0.00 C ATOM 0 H VAL A 754 3.775 3.720 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 754 0.993 3.852 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 754 3.261 5.648 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.742 7.436 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.760 7.227 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.394 6.604 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.109 5.536 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.804 4.586 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.451 3.917 2.070 1.00 0.00 H new ATOM 200 N ARG A 755 2.519 5.630 -2.548 1.00 0.00 N ATOM 201 CA ARG A 755 2.323 6.331 -3.808 1.00 0.00 C ATOM 202 C ARG A 755 1.757 5.372 -4.848 1.00 0.00 C ATOM 203 O ARG A 755 0.944 5.751 -5.692 1.00 0.00 O ATOM 204 CB ARG A 755 3.651 6.906 -4.303 1.00 0.00 C ATOM 205 CG ARG A 755 3.501 7.864 -5.474 1.00 0.00 C ATOM 206 CD ARG A 755 4.807 8.582 -5.781 1.00 0.00 C ATOM 207 NE ARG A 755 5.309 8.256 -7.114 1.00 0.00 N ATOM 208 CZ ARG A 755 6.326 8.887 -7.697 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.951 9.875 -7.070 1.00 0.00 N ATOM 210 NH2 ARG A 755 6.720 8.527 -8.911 1.00 0.00 N ATOM 0 H ARG A 755 3.496 5.511 -2.280 1.00 0.00 H new ATOM 0 HA ARG A 755 1.620 7.149 -3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.142 7.426 -3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.305 6.085 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.172 7.314 -6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 755 2.726 8.597 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 755 4.656 9.659 -5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.554 8.310 -5.035 1.00 0.00 H new ATOM 0 HE ARG A 755 4.854 7.501 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.653 10.155 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.730 10.354 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 755 6.244 7.767 -9.397 1.00 0.00 H new ATOM 0 HH22 ARG A 755 7.499 9.010 -9.358 1.00 0.00 H new ATOM 224 N PHE A 756 2.201 4.121 -4.771 1.00 0.00 N ATOM 225 CA PHE A 756 1.760 3.082 -5.690 1.00 0.00 C ATOM 226 C PHE A 756 0.281 2.760 -5.483 1.00 0.00 C ATOM 227 O PHE A 756 -0.480 2.658 -6.445 1.00 0.00 O ATOM 228 CB PHE A 756 2.618 1.824 -5.497 1.00 0.00 C ATOM 229 CG PHE A 756 1.934 0.547 -5.891 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.979 0.091 -7.197 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.243 -0.194 -4.948 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.345 -1.083 -7.555 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.609 -1.368 -5.301 1.00 0.00 C ATOM 234 CZ PHE A 756 0.661 -1.812 -6.606 1.00 0.00 C ATOM 0 H PHE A 756 2.873 3.802 -4.073 1.00 0.00 H new ATOM 0 HA PHE A 756 1.881 3.444 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.533 1.928 -6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.914 1.757 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.515 0.658 -7.943 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.199 0.150 -3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.385 -1.429 -8.577 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.073 -1.938 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.166 -2.731 -6.884 1.00 0.00 H new ATOM 244 N VAL A 757 -0.122 2.600 -4.225 1.00 0.00 N ATOM 245 CA VAL A 757 -1.506 2.290 -3.907 1.00 0.00 C ATOM 246 C VAL A 757 -2.405 3.488 -4.181 1.00 0.00 C ATOM 247 O VAL A 757 -3.453 3.358 -4.811 1.00 0.00 O ATOM 248 CB VAL A 757 -1.658 1.858 -2.438 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.090 1.442 -2.144 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.692 0.729 -2.115 1.00 0.00 C ATOM 0 H VAL A 757 0.491 2.680 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.809 1.462 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.417 2.710 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.174 1.141 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.759 2.281 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.365 0.606 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.812 0.435 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.902 -0.125 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.331 1.067 -2.281 1.00 0.00 H new ATOM 260 N THR A 758 -1.984 4.657 -3.710 1.00 0.00 N ATOM 261 CA THR A 758 -2.750 5.881 -3.910 1.00 0.00 C ATOM 262 C THR A 758 -3.037 6.111 -5.392 1.00 0.00 C ATOM 263 O THR A 758 -4.152 6.473 -5.769 1.00 0.00 O ATOM 264 CB THR A 758 -1.990 7.078 -3.340 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.615 7.002 -3.666 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.102 7.199 -1.835 1.00 0.00 C ATOM 0 H THR A 758 -1.117 4.782 -3.187 1.00 0.00 H new ATOM 0 HA THR A 758 -3.700 5.774 -3.386 1.00 0.00 H new ATOM 0 HB THR A 758 -2.454 7.955 -3.792 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.116 6.652 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.539 8.069 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.149 7.313 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.698 6.302 -1.367 1.00 0.00 H new ATOM 274 N GLU A 759 -2.023 5.902 -6.226 1.00 0.00 N ATOM 275 CA GLU A 759 -2.165 6.091 -7.666 1.00 0.00 C ATOM 276 C GLU A 759 -2.869 4.900 -8.312 1.00 0.00 C ATOM 277 O GLU A 759 -3.670 5.067 -9.233 1.00 0.00 O ATOM 278 CB GLU A 759 -0.793 6.296 -8.311 1.00 0.00 C ATOM 279 CG GLU A 759 -0.855 6.980 -9.666 1.00 0.00 C ATOM 280 CD GLU A 759 0.515 7.173 -10.286 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.286 6.191 -10.338 1.00 0.00 O ATOM 282 OE2 GLU A 759 0.819 8.305 -10.717 1.00 0.00 O ATOM 0 H GLU A 759 -1.094 5.602 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.776 6.979 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.171 6.890 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.305 5.328 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.474 6.388 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -1.340 7.950 -9.557 1.00 0.00 H new ATOM 289 N SER A 760 -2.564 3.700 -7.829 1.00 0.00 N ATOM 290 CA SER A 760 -3.167 2.484 -8.366 1.00 0.00 C ATOM 291 C SER A 760 -4.607 2.316 -7.887 1.00 0.00 C ATOM 292 O SER A 760 -5.368 1.527 -8.449 1.00 0.00 O ATOM 293 CB SER A 760 -2.343 1.259 -7.962 1.00 0.00 C ATOM 294 OG SER A 760 -2.525 0.951 -6.591 1.00 0.00 O ATOM 0 H SER A 760 -1.904 3.543 -7.068 1.00 0.00 H new ATOM 0 HA SER A 760 -3.177 2.573 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.634 0.404 -8.572 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.287 1.446 -8.159 1.00 0.00 H new ATOM 0 HG SER A 760 -1.989 0.164 -6.359 1.00 0.00 H new ATOM 300 N ARG A 761 -4.977 3.053 -6.843 1.00 0.00 N ATOM 301 CA ARG A 761 -6.324 2.971 -6.293 1.00 0.00 C ATOM 302 C ARG A 761 -6.622 1.553 -5.815 1.00 0.00 C ATOM 303 O ARG A 761 -7.764 1.096 -5.863 1.00 0.00 O ATOM 304 CB ARG A 761 -7.355 3.400 -7.340 1.00 0.00 C ATOM 305 CG ARG A 761 -7.396 4.900 -7.576 1.00 0.00 C ATOM 306 CD ARG A 761 -7.950 5.639 -6.368 1.00 0.00 C ATOM 307 NE ARG A 761 -8.447 6.968 -6.719 1.00 0.00 N ATOM 308 CZ ARG A 761 -9.283 7.672 -5.960 1.00 0.00 C ATOM 309 NH1 ARG A 761 -9.719 7.179 -4.808 1.00 0.00 N ATOM 310 NH2 ARG A 761 -9.684 8.873 -6.355 1.00 0.00 N ATOM 0 H ARG A 761 -4.364 3.712 -6.363 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.387 3.647 -5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.134 2.899 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.342 3.063 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.392 5.262 -7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.012 5.115 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.757 5.056 -5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -7.171 5.732 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 761 -8.134 7.380 -7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -9.413 6.256 -4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -10.360 7.723 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -9.352 9.256 -7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -10.325 9.413 -5.774 1.00 0.00 H new ATOM 324 N ARG A 762 -5.581 0.863 -5.361 1.00 0.00 N ATOM 325 CA ARG A 762 -5.716 -0.506 -4.878 1.00 0.00 C ATOM 326 C ARG A 762 -4.525 -0.878 -3.997 1.00 0.00 C ATOM 327 O ARG A 762 -3.380 -0.558 -4.318 1.00 0.00 O ATOM 328 CB ARG A 762 -5.836 -1.469 -6.068 1.00 0.00 C ATOM 329 CG ARG A 762 -5.319 -2.877 -5.797 1.00 0.00 C ATOM 330 CD ARG A 762 -3.836 -3.007 -6.119 1.00 0.00 C ATOM 331 NE ARG A 762 -3.486 -2.363 -7.384 1.00 0.00 N ATOM 332 CZ ARG A 762 -3.831 -2.839 -8.579 1.00 0.00 C ATOM 333 NH1 ARG A 762 -4.534 -3.962 -8.675 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.474 -2.192 -9.678 1.00 0.00 N ATOM 0 H ARG A 762 -4.631 1.232 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.621 -0.584 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.883 -1.531 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -5.289 -1.051 -6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -5.487 -3.131 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -5.885 -3.593 -6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -3.251 -2.563 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -3.567 -4.062 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 762 -2.946 -1.498 -7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -4.812 -4.463 -7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -4.796 -4.323 -9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.935 -1.329 -9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.738 -2.557 -10.593 1.00 0.00 H new ATOM 348 N ALA A 763 -4.801 -1.551 -2.884 1.00 0.00 N ATOM 349 CA ALA A 763 -3.752 -1.959 -1.963 1.00 0.00 C ATOM 350 C ALA A 763 -3.559 -3.471 -1.974 1.00 0.00 C ATOM 351 O ALA A 763 -4.178 -4.193 -1.193 1.00 0.00 O ATOM 352 CB ALA A 763 -4.075 -1.480 -0.556 1.00 0.00 C ATOM 0 H ALA A 763 -5.742 -1.824 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.819 -1.501 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.283 -1.791 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.152 -0.393 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.022 -1.912 -0.233 1.00 0.00 H new ATOM 358 N SER A 764 -2.682 -3.939 -2.850 1.00 0.00 N ATOM 359 CA SER A 764 -2.384 -5.362 -2.951 1.00 0.00 C ATOM 360 C SER A 764 -0.885 -5.577 -2.851 1.00 0.00 C ATOM 361 O SER A 764 -0.122 -5.077 -3.672 1.00 0.00 O ATOM 362 CB SER A 764 -2.913 -5.930 -4.270 1.00 0.00 C ATOM 363 OG SER A 764 -4.277 -5.594 -4.460 1.00 0.00 O ATOM 0 H SER A 764 -2.162 -3.353 -3.503 1.00 0.00 H new ATOM 0 HA SER A 764 -2.877 -5.885 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.321 -5.543 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.798 -7.014 -4.275 1.00 0.00 H new ATOM 0 HG SER A 764 -4.590 -5.967 -5.310 1.00 0.00 H new ATOM 369 N ILE A 765 -0.467 -6.312 -1.831 1.00 0.00 N ATOM 370 CA ILE A 765 0.949 -6.574 -1.612 1.00 0.00 C ATOM 371 C ILE A 765 1.624 -7.118 -2.867 1.00 0.00 C ATOM 372 O ILE A 765 2.666 -6.615 -3.287 1.00 0.00 O ATOM 373 CB ILE A 765 1.176 -7.559 -0.455 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.348 -7.160 0.770 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.651 -7.607 -0.108 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.347 -8.203 1.865 1.00 0.00 C ATOM 0 H ILE A 765 -1.087 -6.738 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 765 1.397 -5.614 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 765 0.852 -8.551 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.736 -6.224 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.679 -6.971 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.809 -8.306 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.219 -7.935 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.987 -6.614 0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.259 -7.853 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.069 -9.134 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 765 1.368 -8.375 2.205 1.00 0.00 H new ATOM 388 N SER A 766 1.026 -8.142 -3.465 1.00 0.00 N ATOM 389 CA SER A 766 1.576 -8.746 -4.673 1.00 0.00 C ATOM 390 C SER A 766 1.815 -7.684 -5.741 1.00 0.00 C ATOM 391 O SER A 766 2.856 -7.664 -6.401 1.00 0.00 O ATOM 392 CB SER A 766 0.630 -9.823 -5.205 1.00 0.00 C ATOM 393 OG SER A 766 1.027 -10.261 -6.492 1.00 0.00 O ATOM 0 H SER A 766 0.162 -8.571 -3.134 1.00 0.00 H new ATOM 0 HA SER A 766 2.531 -9.208 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.615 -10.669 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.386 -9.430 -5.249 1.00 0.00 H new ATOM 0 HG SER A 766 0.407 -10.950 -6.809 1.00 0.00 H new ATOM 399 N ALA A 767 0.843 -6.796 -5.897 1.00 0.00 N ATOM 400 CA ALA A 767 0.940 -5.721 -6.874 1.00 0.00 C ATOM 401 C ALA A 767 2.001 -4.711 -6.458 1.00 0.00 C ATOM 402 O ALA A 767 2.783 -4.242 -7.284 1.00 0.00 O ATOM 403 CB ALA A 767 -0.410 -5.047 -7.052 1.00 0.00 C ATOM 0 H ALA A 767 -0.023 -6.799 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 767 1.239 -6.148 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.323 -4.245 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.139 -5.779 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.738 -4.633 -6.099 1.00 0.00 H new ATOM 409 N VAL A 768 2.034 -4.391 -5.168 1.00 0.00 N ATOM 410 CA VAL A 768 3.016 -3.449 -4.648 1.00 0.00 C ATOM 411 C VAL A 768 4.422 -3.955 -4.917 1.00 0.00 C ATOM 412 O VAL A 768 5.277 -3.214 -5.392 1.00 0.00 O ATOM 413 CB VAL A 768 2.867 -3.222 -3.130 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.833 -2.150 -2.652 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.446 -2.838 -2.775 1.00 0.00 C ATOM 0 H VAL A 768 1.395 -4.768 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 768 2.840 -2.503 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 768 3.105 -4.159 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.713 -2.004 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.856 -2.462 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.624 -1.214 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.369 -2.684 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.177 -1.918 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.767 -3.636 -3.077 1.00 0.00 H new ATOM 425 N GLN A 769 4.656 -5.224 -4.608 1.00 0.00 N ATOM 426 CA GLN A 769 5.964 -5.818 -4.819 1.00 0.00 C ATOM 427 C GLN A 769 6.294 -5.880 -6.300 1.00 0.00 C ATOM 428 O GLN A 769 7.454 -5.748 -6.690 1.00 0.00 O ATOM 429 CB GLN A 769 6.041 -7.212 -4.189 1.00 0.00 C ATOM 430 CG GLN A 769 5.158 -8.248 -4.866 1.00 0.00 C ATOM 431 CD GLN A 769 5.795 -9.623 -4.901 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.806 -10.300 -3.758 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 6.272 -10.074 -5.942 1.00 0.00 N flip ATOM 0 H GLN A 769 3.960 -5.856 -4.213 1.00 0.00 H new ATOM 0 HA GLN A 769 6.704 -5.185 -4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.075 -7.556 -4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.759 -7.140 -3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.205 -8.307 -4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.942 -7.926 -5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 769 6.243 -9.520 -6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.697 -11.001 -5.949 1.00 0.00 H new ATOM 442 N ARG A 770 5.268 -6.078 -7.118 1.00 0.00 N ATOM 443 CA ARG A 770 5.443 -6.154 -8.558 1.00 0.00 C ATOM 444 C ARG A 770 5.837 -4.795 -9.138 1.00 0.00 C ATOM 445 O ARG A 770 6.710 -4.710 -10.002 1.00 0.00 O ATOM 446 CB ARG A 770 4.152 -6.656 -9.210 1.00 0.00 C ATOM 447 CG ARG A 770 4.212 -8.113 -9.630 1.00 0.00 C ATOM 448 CD ARG A 770 2.994 -8.508 -10.450 1.00 0.00 C ATOM 449 NE ARG A 770 2.583 -9.886 -10.191 1.00 0.00 N ATOM 450 CZ ARG A 770 1.716 -10.556 -10.947 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.166 -9.979 -12.008 1.00 0.00 N ATOM 452 NH2 ARG A 770 1.397 -11.806 -10.641 1.00 0.00 N ATOM 0 H ARG A 770 4.304 -6.189 -6.805 1.00 0.00 H new ATOM 0 HA ARG A 770 6.250 -6.855 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.326 -6.521 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.934 -6.043 -10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.116 -8.288 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.276 -8.745 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.168 -7.834 -10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.217 -8.389 -11.510 1.00 0.00 H new ATOM 0 HE ARG A 770 2.984 -10.363 -9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.407 -9.017 -12.248 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.502 -10.497 -12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 770 1.816 -12.254 -9.826 1.00 0.00 H new ATOM 0 HH22 ARG A 770 0.733 -12.319 -11.220 1.00 0.00 H new ATOM 466 N LYS A 771 5.187 -3.738 -8.662 1.00 0.00 N ATOM 467 CA LYS A 771 5.466 -2.386 -9.140 1.00 0.00 C ATOM 468 C LYS A 771 6.732 -1.817 -8.512 1.00 0.00 C ATOM 469 O LYS A 771 7.541 -1.181 -9.187 1.00 0.00 O ATOM 470 CB LYS A 771 4.289 -1.462 -8.832 1.00 0.00 C ATOM 471 CG LYS A 771 4.142 -0.318 -9.823 1.00 0.00 C ATOM 472 CD LYS A 771 2.976 -0.542 -10.774 1.00 0.00 C ATOM 473 CE LYS A 771 2.505 0.763 -11.393 1.00 0.00 C ATOM 474 NZ LYS A 771 3.322 1.144 -12.578 1.00 0.00 N ATOM 0 H LYS A 771 4.463 -3.790 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 771 5.615 -2.447 -10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.370 -2.047 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.412 -1.051 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 771 3.995 0.616 -9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 771 5.063 -0.212 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.275 -1.233 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.151 -1.010 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 771 1.460 0.668 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.555 1.557 -10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 2.968 2.040 -12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 4.315 1.260 -12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 3.254 0.399 -13.300 1.00 0.00 H new ATOM 488 N LEU A 772 6.894 -2.046 -7.217 1.00 0.00 N ATOM 489 CA LEU A 772 8.062 -1.549 -6.494 1.00 0.00 C ATOM 490 C LEU A 772 9.249 -2.495 -6.619 1.00 0.00 C ATOM 491 O LEU A 772 10.355 -2.169 -6.188 1.00 0.00 O ATOM 492 CB LEU A 772 7.729 -1.339 -5.013 1.00 0.00 C ATOM 493 CG LEU A 772 7.561 0.122 -4.586 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.092 0.481 -4.430 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.310 0.385 -3.287 1.00 0.00 C ATOM 0 H LEU A 772 6.234 -2.572 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 772 8.337 -0.595 -6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.809 -1.876 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.519 -1.789 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 772 7.983 0.752 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 772 6.003 1.524 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.579 0.335 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.640 -0.158 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.181 1.428 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.916 -0.261 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.370 0.177 -3.430 1.00 0.00 H new ATOM 507 N LYS A 773 9.022 -3.675 -7.186 1.00 0.00 N ATOM 508 CA LYS A 773 10.089 -4.654 -7.327 1.00 0.00 C ATOM 509 C LYS A 773 10.670 -4.970 -5.955 1.00 0.00 C ATOM 510 O LYS A 773 11.885 -5.069 -5.786 1.00 0.00 O ATOM 511 CB LYS A 773 11.183 -4.127 -8.257 1.00 0.00 C ATOM 512 CG LYS A 773 10.756 -4.045 -9.713 1.00 0.00 C ATOM 513 CD LYS A 773 11.432 -2.886 -10.427 1.00 0.00 C ATOM 514 CE LYS A 773 12.811 -3.274 -10.936 1.00 0.00 C ATOM 515 NZ LYS A 773 13.223 -2.452 -12.107 1.00 0.00 N ATOM 0 H LYS A 773 8.118 -3.973 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 773 9.680 -5.565 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.488 -3.136 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.057 -4.774 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 773 11.002 -4.979 -10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.674 -3.927 -9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 773 10.813 -2.561 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.519 -2.039 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.540 -3.155 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.812 -4.328 -11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 14.168 -2.748 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 12.541 -2.585 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 13.247 -1.448 -11.835 1.00 0.00 H new ATOM 529 N ILE A 774 9.782 -5.119 -4.976 1.00 0.00 N ATOM 530 CA ILE A 774 10.194 -5.415 -3.608 1.00 0.00 C ATOM 531 C ILE A 774 9.768 -6.823 -3.212 1.00 0.00 C ATOM 532 O ILE A 774 9.259 -7.581 -4.038 1.00 0.00 O ATOM 533 CB ILE A 774 9.606 -4.399 -2.598 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.084 -4.330 -2.724 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.214 -3.025 -2.811 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.420 -3.421 -1.707 1.00 0.00 C ATOM 0 H ILE A 774 8.773 -5.040 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 774 11.281 -5.340 -3.579 1.00 0.00 H new ATOM 0 HB ILE A 774 9.853 -4.738 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.828 -3.985 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.675 -5.335 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.789 -2.324 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.294 -3.079 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.997 -2.684 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.341 -3.427 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.643 -3.776 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.798 -2.406 -1.825 1.00 0.00 H new ATOM 548 N GLY A 775 9.978 -7.171 -1.949 1.00 0.00 N ATOM 549 CA GLY A 775 9.605 -8.490 -1.476 1.00 0.00 C ATOM 550 C GLY A 775 8.182 -8.533 -0.962 1.00 0.00 C ATOM 551 O GLY A 775 7.635 -7.510 -0.553 1.00 0.00 O ATOM 0 H GLY A 775 10.399 -6.565 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.718 -9.210 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.286 -8.795 -0.681 1.00 0.00 H new ATOM 555 N TYR A 776 7.578 -9.715 -0.981 1.00 0.00 N ATOM 556 CA TYR A 776 6.209 -9.874 -0.508 1.00 0.00 C ATOM 557 C TYR A 776 6.092 -9.451 0.952 1.00 0.00 C ATOM 558 O TYR A 776 5.179 -8.714 1.326 1.00 0.00 O ATOM 559 CB TYR A 776 5.752 -11.324 -0.672 1.00 0.00 C ATOM 560 CG TYR A 776 4.345 -11.569 -0.180 1.00 0.00 C ATOM 561 CD1 TYR A 776 4.092 -11.803 1.165 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.269 -11.559 -1.059 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.807 -12.023 1.622 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.980 -11.778 -0.609 1.00 0.00 C ATOM 565 CZ TYR A 776 1.755 -12.010 0.731 1.00 0.00 C ATOM 566 OH TYR A 776 0.474 -12.228 1.182 1.00 0.00 O ATOM 0 H TYR A 776 8.013 -10.574 -1.317 1.00 0.00 H new ATOM 0 HA TYR A 776 5.565 -9.232 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.814 -11.600 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.437 -11.976 -0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.914 -11.813 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.442 -11.377 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.628 -12.204 2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 776 1.153 -11.767 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.150 -12.185 0.428 1.00 0.00 H new ATOM 576 N ASN A 777 7.028 -9.918 1.772 1.00 0.00 N ATOM 577 CA ASN A 777 7.035 -9.584 3.190 1.00 0.00 C ATOM 578 C ASN A 777 7.206 -8.082 3.391 1.00 0.00 C ATOM 579 O ASN A 777 6.476 -7.462 4.164 1.00 0.00 O ATOM 580 CB ASN A 777 8.157 -10.337 3.908 1.00 0.00 C ATOM 581 CG ASN A 777 7.983 -11.841 3.833 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.870 -12.342 3.674 1.00 0.00 O ATOM 583 ND2 ASN A 777 9.086 -12.571 3.949 1.00 0.00 N ATOM 0 H ASN A 777 7.791 -10.528 1.478 1.00 0.00 H new ATOM 0 HA ASN A 777 6.077 -9.884 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 777 9.115 -10.062 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.187 -10.029 4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 777 9.031 -13.589 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.989 -12.114 4.080 1.00 0.00 H new ATOM 590 N ARG A 778 8.176 -7.502 2.688 1.00 0.00 N ATOM 591 CA ARG A 778 8.442 -6.075 2.788 1.00 0.00 C ATOM 592 C ARG A 778 7.226 -5.266 2.349 1.00 0.00 C ATOM 593 O ARG A 778 6.772 -4.372 3.063 1.00 0.00 O ATOM 594 CB ARG A 778 9.657 -5.727 1.930 1.00 0.00 C ATOM 595 CG ARG A 778 9.889 -4.238 1.746 1.00 0.00 C ATOM 596 CD ARG A 778 11.235 -3.978 1.092 1.00 0.00 C ATOM 597 NE ARG A 778 11.983 -2.918 1.770 1.00 0.00 N ATOM 598 CZ ARG A 778 13.311 -2.890 1.871 1.00 0.00 C ATOM 599 NH1 ARG A 778 14.050 -3.850 1.327 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.905 -1.894 2.513 1.00 0.00 N ATOM 0 H ARG A 778 8.789 -8.001 2.044 1.00 0.00 H new ATOM 0 HA ARG A 778 8.651 -5.823 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.545 -6.167 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.538 -6.188 0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 778 9.094 -3.815 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.847 -3.737 2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.823 -4.896 1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 778 11.083 -3.703 0.048 1.00 0.00 H new ATOM 0 HE ARG A 778 11.455 -2.154 2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.601 -4.617 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 778 15.066 -3.820 1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.345 -1.150 2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.922 -1.872 2.591 1.00 0.00 H new ATOM 614 N ALA A 779 6.695 -5.598 1.180 1.00 0.00 N ATOM 615 CA ALA A 779 5.522 -4.917 0.649 1.00 0.00 C ATOM 616 C ALA A 779 4.366 -4.996 1.641 1.00 0.00 C ATOM 617 O ALA A 779 3.757 -3.984 1.982 1.00 0.00 O ATOM 618 CB ALA A 779 5.124 -5.516 -0.692 1.00 0.00 C ATOM 0 H ALA A 779 7.060 -6.338 0.579 1.00 0.00 H new ATOM 0 HA ALA A 779 5.768 -3.866 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.246 -4.997 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.948 -5.407 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.893 -6.574 -0.564 1.00 0.00 H new ATOM 624 N ALA A 780 4.080 -6.208 2.111 1.00 0.00 N ATOM 625 CA ALA A 780 3.010 -6.428 3.076 1.00 0.00 C ATOM 626 C ALA A 780 3.215 -5.567 4.318 1.00 0.00 C ATOM 627 O ALA A 780 2.264 -4.996 4.852 1.00 0.00 O ATOM 628 CB ALA A 780 2.940 -7.897 3.463 1.00 0.00 C ATOM 0 H ALA A 780 4.578 -7.055 1.837 1.00 0.00 H new ATOM 0 HA ALA A 780 2.067 -6.141 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 780 2.136 -8.045 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.746 -8.498 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.887 -8.202 3.908 1.00 0.00 H new ATOM 634 N ARG A 781 4.463 -5.470 4.771 1.00 0.00 N ATOM 635 CA ARG A 781 4.783 -4.665 5.946 1.00 0.00 C ATOM 636 C ARG A 781 4.371 -3.218 5.714 1.00 0.00 C ATOM 637 O ARG A 781 3.700 -2.609 6.547 1.00 0.00 O ATOM 638 CB ARG A 781 6.280 -4.742 6.257 1.00 0.00 C ATOM 639 CG ARG A 781 6.762 -6.146 6.587 1.00 0.00 C ATOM 640 CD ARG A 781 7.364 -6.219 7.982 1.00 0.00 C ATOM 641 NE ARG A 781 8.206 -7.400 8.154 1.00 0.00 N ATOM 642 CZ ARG A 781 9.007 -7.594 9.199 1.00 0.00 C ATOM 643 NH1 ARG A 781 9.076 -6.688 10.167 1.00 0.00 N ATOM 644 NH2 ARG A 781 9.737 -8.697 9.278 1.00 0.00 N ATOM 0 H ARG A 781 5.264 -5.936 4.345 1.00 0.00 H new ATOM 0 HA ARG A 781 4.231 -5.060 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.840 -4.367 5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.502 -4.084 7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.928 -6.844 6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 781 7.505 -6.458 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 781 7.955 -5.322 8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 781 6.564 -6.234 8.722 1.00 0.00 H new ATOM 0 HE ARG A 781 8.178 -8.118 7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 781 8.514 -5.839 10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 781 9.691 -6.841 10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 781 9.685 -9.397 8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 781 10.351 -8.846 10.079 1.00 0.00 H new ATOM 658 N MET A 782 4.759 -2.682 4.561 1.00 0.00 N ATOM 659 CA MET A 782 4.410 -1.315 4.201 1.00 0.00 C ATOM 660 C MET A 782 2.900 -1.198 4.068 1.00 0.00 C ATOM 661 O MET A 782 2.288 -0.245 4.547 1.00 0.00 O ATOM 662 CB MET A 782 5.085 -0.925 2.888 1.00 0.00 C ATOM 663 CG MET A 782 6.599 -1.039 2.933 1.00 0.00 C ATOM 664 SD MET A 782 7.267 -1.969 1.543 1.00 0.00 S ATOM 665 CE MET A 782 7.735 -0.635 0.451 1.00 0.00 C ATOM 0 H MET A 782 5.315 -3.174 3.862 1.00 0.00 H new ATOM 0 HA MET A 782 4.757 -0.639 4.982 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.703 -1.560 2.089 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.812 0.100 2.638 1.00 0.00 H new ATOM 0 HG2 MET A 782 7.035 -0.040 2.939 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.895 -1.522 3.864 1.00 0.00 H new ATOM 0 HE1 MET A 782 8.354 -1.026 -0.356 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.839 -0.177 0.032 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.297 0.113 1.010 1.00 0.00 H new ATOM 675 N ILE A 783 2.306 -2.196 3.427 1.00 0.00 N ATOM 676 CA ILE A 783 0.865 -2.242 3.241 1.00 0.00 C ATOM 677 C ILE A 783 0.176 -2.177 4.606 1.00 0.00 C ATOM 678 O ILE A 783 -0.805 -1.451 4.795 1.00 0.00 O ATOM 679 CB ILE A 783 0.469 -3.527 2.472 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.869 -3.401 0.995 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.015 -3.834 2.599 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.083 -2.552 0.168 1.00 0.00 C ATOM 0 H ILE A 783 2.806 -2.989 3.025 1.00 0.00 H new ATOM 0 HA ILE A 783 0.542 -1.386 2.648 1.00 0.00 H new ATOM 0 HB ILE A 783 1.009 -4.361 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.869 -2.971 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.924 -4.398 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.247 -4.743 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.269 -3.975 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.594 -3.004 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.268 -2.511 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.080 -2.992 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.121 -1.543 0.578 1.00 0.00 H new ATOM 694 N GLU A 784 0.732 -2.904 5.570 1.00 0.00 N ATOM 695 CA GLU A 784 0.209 -2.893 6.927 1.00 0.00 C ATOM 696 C GLU A 784 0.258 -1.467 7.458 1.00 0.00 C ATOM 697 O GLU A 784 -0.704 -0.958 8.044 1.00 0.00 O ATOM 698 CB GLU A 784 1.040 -3.813 7.821 1.00 0.00 C ATOM 699 CG GLU A 784 0.214 -4.596 8.822 1.00 0.00 C ATOM 700 CD GLU A 784 0.774 -4.525 10.228 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.362 -3.481 10.580 1.00 0.00 O ATOM 702 OE2 GLU A 784 0.623 -5.512 10.979 1.00 0.00 O ATOM 0 H GLU A 784 1.544 -3.507 5.435 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.820 -3.253 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.594 -4.512 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.776 -3.215 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.807 -4.213 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.163 -5.639 8.508 1.00 0.00 H new ATOM 709 N ALA A 785 1.394 -0.826 7.212 1.00 0.00 N ATOM 710 CA ALA A 785 1.609 0.552 7.619 1.00 0.00 C ATOM 711 C ALA A 785 0.552 1.450 6.997 1.00 0.00 C ATOM 712 O ALA A 785 0.126 2.432 7.600 1.00 0.00 O ATOM 713 CB ALA A 785 3.001 1.013 7.214 1.00 0.00 C ATOM 0 H ALA A 785 2.187 -1.246 6.727 1.00 0.00 H new ATOM 0 HA ALA A 785 1.528 0.614 8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.147 2.047 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.748 0.381 7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.107 0.942 6.132 1.00 0.00 H new ATOM 719 N MET A 786 0.126 1.100 5.786 1.00 0.00 N ATOM 720 CA MET A 786 -0.891 1.872 5.090 1.00 0.00 C ATOM 721 C MET A 786 -2.221 1.759 5.821 1.00 0.00 C ATOM 722 O MET A 786 -2.969 2.730 5.930 1.00 0.00 O ATOM 723 CB MET A 786 -1.044 1.399 3.645 1.00 0.00 C ATOM 724 CG MET A 786 -0.040 2.029 2.701 1.00 0.00 C ATOM 725 SD MET A 786 -0.325 1.594 0.977 1.00 0.00 S ATOM 726 CE MET A 786 1.105 0.569 0.650 1.00 0.00 C ATOM 0 H MET A 786 0.470 0.290 5.271 1.00 0.00 H new ATOM 0 HA MET A 786 -0.578 2.916 5.075 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.934 0.315 3.611 1.00 0.00 H new ATOM 0 HB3 MET A 786 -2.052 1.629 3.299 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.080 3.113 2.808 1.00 0.00 H new ATOM 0 HG3 MET A 786 0.965 1.717 2.987 1.00 0.00 H new ATOM 0 HE1 MET A 786 0.881 -0.118 -0.166 1.00 0.00 H new ATOM 0 HE2 MET A 786 1.949 1.200 0.372 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.357 -0.000 1.545 1.00 0.00 H new ATOM 736 N GLU A 787 -2.505 0.565 6.330 1.00 0.00 N ATOM 737 CA GLU A 787 -3.742 0.331 7.067 1.00 0.00 C ATOM 738 C GLU A 787 -3.802 1.210 8.309 1.00 0.00 C ATOM 739 O GLU A 787 -4.767 1.943 8.524 1.00 0.00 O ATOM 740 CB GLU A 787 -3.855 -1.139 7.474 1.00 0.00 C ATOM 741 CG GLU A 787 -4.850 -1.918 6.637 1.00 0.00 C ATOM 742 CD GLU A 787 -5.419 -3.117 7.372 1.00 0.00 C ATOM 743 OE1 GLU A 787 -5.765 -2.974 8.563 1.00 0.00 O ATOM 744 OE2 GLU A 787 -5.518 -4.199 6.756 1.00 0.00 O ATOM 0 H GLU A 787 -1.900 -0.252 6.247 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.576 0.585 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.875 -1.608 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.148 -1.197 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.665 -1.258 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.364 -2.255 5.721 1.00 0.00 H new ATOM 751 N MET A 788 -2.762 1.119 9.126 1.00 0.00 N ATOM 752 CA MET A 788 -2.683 1.893 10.359 1.00 0.00 C ATOM 753 C MET A 788 -2.508 3.383 10.072 1.00 0.00 C ATOM 754 O MET A 788 -3.067 4.230 10.767 1.00 0.00 O ATOM 755 CB MET A 788 -1.524 1.389 11.216 1.00 0.00 C ATOM 756 CG MET A 788 -1.836 0.104 11.964 1.00 0.00 C ATOM 757 SD MET A 788 -0.934 -0.031 13.520 1.00 0.00 S ATOM 758 CE MET A 788 0.755 0.135 12.947 1.00 0.00 C ATOM 0 H MET A 788 -1.958 0.515 8.957 1.00 0.00 H new ATOM 0 HA MET A 788 -3.620 1.762 10.899 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.655 1.227 10.578 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.252 2.162 11.935 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.906 0.055 12.164 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.591 -0.749 11.331 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.440 -0.121 13.755 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.921 -0.536 12.105 1.00 0.00 H new ATOM 0 HE3 MET A 788 0.933 1.163 12.632 1.00 0.00 H new ATOM 768 N ALA A 789 -1.719 3.690 9.052 1.00 0.00 N ATOM 769 CA ALA A 789 -1.452 5.074 8.669 1.00 0.00 C ATOM 770 C ALA A 789 -2.691 5.751 8.096 1.00 0.00 C ATOM 771 O ALA A 789 -2.781 6.979 8.070 1.00 0.00 O ATOM 772 CB ALA A 789 -0.320 5.125 7.654 1.00 0.00 C ATOM 0 H ALA A 789 -1.249 2.996 8.470 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.162 5.615 9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.128 6.161 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.581 4.695 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.600 4.556 6.768 1.00 0.00 H new ATOM 778 N GLY A 790 -3.633 4.950 7.618 1.00 0.00 N ATOM 779 CA GLY A 790 -4.841 5.499 7.032 1.00 0.00 C ATOM 780 C GLY A 790 -4.696 5.718 5.537 1.00 0.00 C ATOM 781 O GLY A 790 -5.499 6.421 4.922 1.00 0.00 O ATOM 0 H GLY A 790 -3.583 3.931 7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.675 4.824 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.081 6.446 7.516 1.00 0.00 H new ATOM 785 N VAL A 791 -3.665 5.110 4.957 1.00 0.00 N ATOM 786 CA VAL A 791 -3.399 5.224 3.531 1.00 0.00 C ATOM 787 C VAL A 791 -4.282 4.277 2.738 1.00 0.00 C ATOM 788 O VAL A 791 -4.681 4.577 1.613 1.00 0.00 O ATOM 789 CB VAL A 791 -1.924 4.927 3.224 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.617 5.159 1.753 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.028 5.779 4.108 1.00 0.00 C ATOM 0 H VAL A 791 -2.996 4.528 5.461 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.624 6.249 3.236 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.728 3.877 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.566 4.942 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.240 4.504 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.825 6.198 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.016 5.562 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.228 6.834 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.229 5.553 5.155 1.00 0.00 H new ATOM 801 N VAL A 792 -4.605 3.137 3.339 1.00 0.00 N ATOM 802 CA VAL A 792 -5.465 2.161 2.689 1.00 0.00 C ATOM 803 C VAL A 792 -6.499 1.605 3.661 1.00 0.00 C ATOM 804 O VAL A 792 -6.182 1.261 4.800 1.00 0.00 O ATOM 805 CB VAL A 792 -4.661 1.002 2.065 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.566 1.540 1.164 1.00 0.00 C ATOM 807 CG2 VAL A 792 -4.072 0.091 3.132 1.00 0.00 C ATOM 0 H VAL A 792 -4.285 2.869 4.270 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.979 2.687 1.885 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.350 0.407 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -3.009 0.709 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -4.011 2.133 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.890 2.166 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.513 -0.714 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.404 0.666 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.876 -0.333 3.733 1.00 0.00 H new ATOM 817 N THR A 793 -7.736 1.514 3.195 1.00 0.00 N ATOM 818 CA THR A 793 -8.824 0.991 4.009 1.00 0.00 C ATOM 819 C THR A 793 -8.674 -0.519 4.158 1.00 0.00 C ATOM 820 O THR A 793 -7.995 -1.154 3.355 1.00 0.00 O ATOM 821 CB THR A 793 -10.180 1.315 3.374 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.447 0.441 2.293 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.290 2.732 2.852 1.00 0.00 C ATOM 0 H THR A 793 -8.012 1.796 2.255 1.00 0.00 H new ATOM 0 HA THR A 793 -8.780 1.462 4.991 1.00 0.00 H new ATOM 0 HB THR A 793 -10.904 1.191 4.179 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.343 0.058 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.278 2.884 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 793 -10.142 3.434 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.529 2.899 2.090 1.00 0.00 H new ATOM 831 N PRO A 794 -9.305 -1.126 5.175 1.00 0.00 N ATOM 832 CA PRO A 794 -9.222 -2.573 5.387 1.00 0.00 C ATOM 833 C PRO A 794 -9.773 -3.351 4.198 1.00 0.00 C ATOM 834 O PRO A 794 -10.452 -2.791 3.338 1.00 0.00 O ATOM 835 CB PRO A 794 -10.081 -2.812 6.633 1.00 0.00 C ATOM 836 CG PRO A 794 -10.960 -1.615 6.726 1.00 0.00 C ATOM 837 CD PRO A 794 -10.150 -0.471 6.185 1.00 0.00 C ATOM 0 HA PRO A 794 -8.192 -2.911 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.667 -3.726 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.463 -2.919 7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.874 -1.755 6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.260 -1.429 7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.782 0.301 5.746 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.555 0.008 6.963 1.00 0.00 H new ATOM 845 N MET A 795 -9.470 -4.641 4.153 1.00 0.00 N ATOM 846 CA MET A 795 -9.928 -5.497 3.070 1.00 0.00 C ATOM 847 C MET A 795 -11.450 -5.505 2.980 1.00 0.00 C ATOM 848 O MET A 795 -12.141 -5.116 3.922 1.00 0.00 O ATOM 849 CB MET A 795 -9.408 -6.918 3.272 1.00 0.00 C ATOM 850 CG MET A 795 -7.906 -6.993 3.491 1.00 0.00 C ATOM 851 SD MET A 795 -7.436 -8.285 4.658 1.00 0.00 S ATOM 852 CE MET A 795 -5.838 -8.765 4.007 1.00 0.00 C ATOM 0 H MET A 795 -8.907 -5.118 4.857 1.00 0.00 H new ATOM 0 HA MET A 795 -9.536 -5.099 2.134 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.914 -7.362 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.670 -7.519 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.412 -7.175 2.536 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.548 -6.031 3.857 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.417 -9.559 4.624 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.954 -9.123 2.984 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.168 -7.905 4.016 1.00 0.00 H new ATOM 862 N ASN A 796 -11.964 -5.950 1.839 1.00 0.00 N ATOM 863 CA ASN A 796 -13.403 -6.010 1.618 1.00 0.00 C ATOM 864 C ASN A 796 -13.907 -7.448 1.693 1.00 0.00 C ATOM 865 O ASN A 796 -13.123 -8.383 1.851 1.00 0.00 O ATOM 866 CB ASN A 796 -13.758 -5.405 0.259 1.00 0.00 C ATOM 867 CG ASN A 796 -13.792 -3.895 0.287 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.992 -3.283 1.337 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.596 -3.287 -0.873 1.00 0.00 N ATOM 0 H ASN A 796 -11.404 -6.275 1.051 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.889 -5.432 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -13.030 -5.735 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.730 -5.781 -0.059 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.607 -2.268 -0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.434 -3.837 -1.716 1.00 0.00 H new ATOM 876 N THR A 797 -15.221 -7.616 1.576 1.00 0.00 N ATOM 877 CA THR A 797 -15.831 -8.940 1.629 1.00 0.00 C ATOM 878 C THR A 797 -15.229 -9.860 0.571 1.00 0.00 C ATOM 879 O THR A 797 -15.138 -11.072 0.765 1.00 0.00 O ATOM 880 CB THR A 797 -17.344 -8.836 1.427 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.645 -8.370 0.124 1.00 0.00 O ATOM 882 CG2 THR A 797 -18.017 -7.905 2.413 1.00 0.00 C ATOM 0 H THR A 797 -15.883 -6.852 1.444 1.00 0.00 H new ATOM 0 HA THR A 797 -15.630 -9.365 2.612 1.00 0.00 H new ATOM 0 HB THR A 797 -17.726 -9.845 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.617 -8.312 0.014 1.00 0.00 H new ATOM 0 HG21 THR A 797 -19.088 -7.877 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.845 -8.264 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.602 -6.902 2.308 1.00 0.00 H new ATOM 890 N ASN A 798 -14.816 -9.274 -0.549 1.00 0.00 N ATOM 891 CA ASN A 798 -14.219 -10.039 -1.638 1.00 0.00 C ATOM 892 C ASN A 798 -12.716 -10.216 -1.427 1.00 0.00 C ATOM 893 O ASN A 798 -12.094 -11.082 -2.041 1.00 0.00 O ATOM 894 CB ASN A 798 -14.482 -9.347 -2.978 1.00 0.00 C ATOM 895 CG ASN A 798 -15.202 -10.240 -3.960 1.00 0.00 C ATOM 896 OD1 ASN A 798 -15.063 -11.463 -3.929 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.978 -9.628 -4.842 1.00 0.00 N ATOM 0 H ASN A 798 -14.884 -8.272 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.681 -11.026 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -15.074 -8.448 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.534 -9.028 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.492 -10.173 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -16.062 -8.612 -4.829 1.00 0.00 H new ATOM 904 N GLY A 799 -12.138 -9.392 -0.556 1.00 0.00 N ATOM 905 CA GLY A 799 -10.715 -9.480 -0.286 1.00 0.00 C ATOM 906 C GLY A 799 -9.917 -8.421 -1.022 1.00 0.00 C ATOM 907 O GLY A 799 -8.786 -8.666 -1.440 1.00 0.00 O ATOM 0 H GLY A 799 -12.630 -8.667 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.545 -9.379 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.354 -10.467 -0.574 1.00 0.00 H new ATOM 911 N SER A 800 -10.507 -7.241 -1.182 1.00 0.00 N ATOM 912 CA SER A 800 -9.843 -6.142 -1.873 1.00 0.00 C ATOM 913 C SER A 800 -9.855 -4.873 -1.026 1.00 0.00 C ATOM 914 O SER A 800 -10.897 -4.468 -0.511 1.00 0.00 O ATOM 915 CB SER A 800 -10.517 -5.876 -3.219 1.00 0.00 C ATOM 916 OG SER A 800 -10.547 -7.047 -4.015 1.00 0.00 O ATOM 0 H SER A 800 -11.443 -7.021 -0.843 1.00 0.00 H new ATOM 0 HA SER A 800 -8.806 -6.431 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.533 -5.518 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.982 -5.087 -3.747 1.00 0.00 H new ATOM 0 HG SER A 800 -10.985 -6.851 -4.870 1.00 0.00 H new ATOM 922 N ARG A 801 -8.688 -4.254 -0.884 1.00 0.00 N ATOM 923 CA ARG A 801 -8.556 -3.035 -0.099 1.00 0.00 C ATOM 924 C ARG A 801 -8.976 -1.809 -0.901 1.00 0.00 C ATOM 925 O ARG A 801 -9.185 -1.882 -2.112 1.00 0.00 O ATOM 926 CB ARG A 801 -7.110 -2.866 0.366 1.00 0.00 C ATOM 927 CG ARG A 801 -6.831 -3.490 1.716 1.00 0.00 C ATOM 928 CD ARG A 801 -5.443 -4.108 1.769 1.00 0.00 C ATOM 929 NE ARG A 801 -4.439 -3.193 2.305 1.00 0.00 N ATOM 930 CZ ARG A 801 -3.954 -3.259 3.542 1.00 0.00 C ATOM 931 NH1 ARG A 801 -4.425 -4.148 4.408 1.00 0.00 N ATOM 932 NH2 ARG A 801 -2.992 -2.426 3.916 1.00 0.00 N ATOM 0 H ARG A 801 -7.818 -4.579 -1.305 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.214 -3.123 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.445 -3.310 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.873 -1.803 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.923 -2.732 2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.579 -4.255 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.474 -5.008 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -5.149 -4.417 0.766 1.00 0.00 H new ATOM 0 HE ARG A 801 -4.088 -2.457 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -5.167 -4.790 4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -4.045 -4.189 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -2.627 -1.739 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.617 -2.473 4.863 1.00 0.00 H new ATOM 946 N GLU A 802 -9.084 -0.683 -0.209 1.00 0.00 N ATOM 947 CA GLU A 802 -9.464 0.576 -0.836 1.00 0.00 C ATOM 948 C GLU A 802 -8.614 1.710 -0.279 1.00 0.00 C ATOM 949 O GLU A 802 -8.564 1.917 0.927 1.00 0.00 O ATOM 950 CB GLU A 802 -10.942 0.869 -0.591 1.00 0.00 C ATOM 951 CG GLU A 802 -11.829 0.573 -1.791 1.00 0.00 C ATOM 952 CD GLU A 802 -13.206 1.195 -1.663 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.726 1.259 -0.529 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.767 1.615 -2.697 1.00 0.00 O ATOM 0 H GLU A 802 -8.912 -0.616 0.794 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.297 0.495 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -11.285 0.278 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -11.055 1.918 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.348 0.946 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.931 -0.506 -1.906 1.00 0.00 H new ATOM 961 N VAL A 803 -7.938 2.434 -1.157 1.00 0.00 N ATOM 962 CA VAL A 803 -7.081 3.534 -0.729 1.00 0.00 C ATOM 963 C VAL A 803 -7.877 4.663 -0.086 1.00 0.00 C ATOM 964 O VAL A 803 -8.899 5.099 -0.616 1.00 0.00 O ATOM 965 CB VAL A 803 -6.272 4.112 -1.902 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.229 5.096 -1.392 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.620 2.997 -2.705 1.00 0.00 C ATOM 0 H VAL A 803 -7.964 2.283 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.401 3.111 0.010 1.00 0.00 H new ATOM 0 HB VAL A 803 -6.953 4.648 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.664 5.497 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.725 5.912 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.550 4.585 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.052 3.427 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -4.949 2.429 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.390 2.335 -3.101 1.00 0.00 H new ATOM 977 N ILE A 804 -7.382 5.151 1.048 1.00 0.00 N ATOM 978 CA ILE A 804 -8.025 6.254 1.753 1.00 0.00 C ATOM 979 C ILE A 804 -7.248 7.541 1.519 1.00 0.00 C ATOM 980 O ILE A 804 -7.824 8.627 1.452 1.00 0.00 O ATOM 981 CB ILE A 804 -8.139 6.014 3.281 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.340 4.781 3.721 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.597 5.881 3.684 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.432 4.499 5.205 1.00 0.00 C ATOM 0 H ILE A 804 -6.537 4.799 1.498 1.00 0.00 H new ATOM 0 HA ILE A 804 -9.036 6.329 1.352 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.710 6.878 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.698 3.911 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.293 4.921 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.663 5.713 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -10.131 6.796 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -10.045 5.039 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.843 3.614 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -7.046 5.353 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.473 4.327 5.479 1.00 0.00 H new ATOM 996 N ALA A 805 -5.934 7.404 1.391 1.00 0.00 N ATOM 997 CA ALA A 805 -5.065 8.543 1.161 1.00 0.00 C ATOM 998 C ALA A 805 -5.189 9.039 -0.278 1.00 0.00 C ATOM 999 O ALA A 805 -5.026 8.267 -1.224 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.621 8.174 1.471 1.00 0.00 C ATOM 0 H ALA A 805 -5.448 6.509 1.444 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.373 9.349 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.979 9.037 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.539 7.868 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.309 7.352 0.827 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.478 10.337 -0.466 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.620 10.932 -1.798 1.00 0.00 C ATOM 1008 C PRO A 806 -4.318 10.892 -2.587 1.00 0.00 C ATOM 1009 O PRO A 806 -3.244 10.682 -2.025 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.028 12.379 -1.507 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.551 12.636 -0.122 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.684 11.326 0.603 1.00 0.00 C ATOM 0 HA PRO A 806 -6.342 10.392 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.572 13.069 -2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.107 12.509 -1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.517 12.981 -0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.146 13.412 0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.942 11.225 1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.664 11.220 1.069 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.423 11.094 -3.895 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.256 11.079 -4.768 1.00 0.00 C ATOM 1022 C ALA A 807 -2.812 12.495 -5.123 1.00 0.00 C ATOM 1023 O ALA A 807 -3.563 13.453 -4.942 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.554 10.285 -6.032 1.00 0.00 C ATOM 0 H ALA A 807 -5.306 11.270 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.439 10.597 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.674 10.282 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -3.813 9.260 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.389 10.744 -6.562 1.00 0.00 H new