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 150:sc= -0.728 USER MOD Single : A 758 THR OG1 : rot -99:sc= -0.146 USER MOD Single : A 760 SER OG : rot 171:sc= -1.73 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= -0.19 F(o=-1.8,f=-0.19) 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= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 782 MET CE :methyl 137:sc= -5.83! (180deg=-9.69!) USER MOD Single : A 786 MET CE :methyl 170:sc= -7.13! (180deg=-7.82!) USER MOD Single : A 788 MET CE :methyl -164:sc= -0.0373 (180deg=-0.399) USER MOD Single : A 793 THR OG1 : rot 168:sc= -1.25 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -1.19 K(o=-1.2,f=-15!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.295 K(o=-0.29,f=-1.3!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.487 -0.572 7.179 1.00 0.00 N ATOM 37 CA GLY A 743 7.102 -0.481 6.760 1.00 0.00 C ATOM 38 C GLY A 743 6.180 -0.068 7.892 1.00 0.00 C ATOM 39 O GLY A 743 5.248 -0.794 8.238 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.018 0.239 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.780 -1.445 6.367 1.00 0.00 H new ATOM 43 N SER A 744 6.440 1.101 8.465 1.00 0.00 N ATOM 44 CA SER A 744 5.626 1.615 9.563 1.00 0.00 C ATOM 45 C SER A 744 4.953 2.920 9.159 1.00 0.00 C ATOM 46 O SER A 744 3.734 3.063 9.251 1.00 0.00 O ATOM 47 CB SER A 744 6.487 1.831 10.808 1.00 0.00 C ATOM 48 OG SER A 744 7.533 0.877 10.878 1.00 0.00 O ATOM 0 H SER A 744 7.208 1.712 8.188 1.00 0.00 H new ATOM 0 HA SER A 744 4.855 0.880 9.794 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.908 2.836 10.793 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.865 1.760 11.701 1.00 0.00 H new ATOM 0 HG SER A 744 8.070 1.038 11.682 1.00 0.00 H new ATOM 54 N GLU A 745 5.765 3.860 8.699 1.00 0.00 N ATOM 55 CA GLU A 745 5.274 5.158 8.259 1.00 0.00 C ATOM 56 C GLU A 745 6.218 5.746 7.222 1.00 0.00 C ATOM 57 O GLU A 745 5.795 6.163 6.144 1.00 0.00 O ATOM 58 CB GLU A 745 5.128 6.116 9.440 1.00 0.00 C ATOM 59 CG GLU A 745 4.316 7.357 9.108 1.00 0.00 C ATOM 60 CD GLU A 745 3.131 7.547 10.036 1.00 0.00 C ATOM 61 OE1 GLU A 745 3.341 7.584 11.267 1.00 0.00 O ATOM 62 OE2 GLU A 745 1.994 7.657 9.532 1.00 0.00 O ATOM 0 H GLU A 745 6.776 3.747 8.620 1.00 0.00 H new ATOM 0 HA GLU A 745 4.290 5.019 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.654 5.591 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.119 6.418 9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.961 8.234 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.960 7.289 8.080 1.00 0.00 H new ATOM 69 N ASP A 746 7.502 5.758 7.551 1.00 0.00 N ATOM 70 CA ASP A 746 8.515 6.273 6.643 1.00 0.00 C ATOM 71 C ASP A 746 9.582 5.216 6.382 1.00 0.00 C ATOM 72 O ASP A 746 10.537 5.074 7.144 1.00 0.00 O ATOM 73 CB ASP A 746 9.159 7.534 7.221 1.00 0.00 C ATOM 74 CG ASP A 746 8.288 8.761 7.042 1.00 0.00 C ATOM 75 OD1 ASP A 746 8.042 9.151 5.881 1.00 0.00 O ATOM 76 OD2 ASP A 746 7.852 9.334 8.063 1.00 0.00 O ATOM 0 H ASP A 746 7.866 5.417 8.441 1.00 0.00 H new ATOM 0 HA ASP A 746 8.033 6.526 5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.357 7.384 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.122 7.701 6.738 1.00 0.00 H new ATOM 81 N ASP A 747 9.407 4.482 5.290 1.00 0.00 N ATOM 82 CA ASP A 747 10.343 3.436 4.899 1.00 0.00 C ATOM 83 C ASP A 747 10.887 3.704 3.500 1.00 0.00 C ATOM 84 O ASP A 747 10.151 4.162 2.624 1.00 0.00 O ATOM 85 CB ASP A 747 9.656 2.069 4.939 1.00 0.00 C ATOM 86 CG ASP A 747 10.621 0.922 4.722 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.094 0.753 3.578 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.906 0.193 5.695 1.00 0.00 O ATOM 0 H ASP A 747 8.617 4.594 4.654 1.00 0.00 H new ATOM 0 HA ASP A 747 11.174 3.436 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.161 1.944 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.880 2.035 4.174 1.00 0.00 H new ATOM 93 N PRO A 748 12.181 3.419 3.263 1.00 0.00 N ATOM 94 CA PRO A 748 12.818 3.628 1.961 1.00 0.00 C ATOM 95 C PRO A 748 11.908 3.302 0.778 1.00 0.00 C ATOM 96 O PRO A 748 12.065 3.869 -0.303 1.00 0.00 O ATOM 97 CB PRO A 748 13.993 2.658 2.014 1.00 0.00 C ATOM 98 CG PRO A 748 14.397 2.649 3.448 1.00 0.00 C ATOM 99 CD PRO A 748 13.135 2.865 4.248 1.00 0.00 C ATOM 0 HA PRO A 748 13.091 4.671 1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.703 1.663 1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.810 2.987 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.867 1.702 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.125 3.434 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.769 1.932 4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.300 3.554 5.076 1.00 0.00 H new ATOM 107 N LEU A 749 10.968 2.382 0.977 1.00 0.00 N ATOM 108 CA LEU A 749 10.062 1.994 -0.098 1.00 0.00 C ATOM 109 C LEU A 749 8.594 2.255 0.249 1.00 0.00 C ATOM 110 O LEU A 749 7.746 2.290 -0.643 1.00 0.00 O ATOM 111 CB LEU A 749 10.270 0.519 -0.440 1.00 0.00 C ATOM 112 CG LEU A 749 11.652 0.187 -1.004 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.951 -1.297 -0.871 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.749 0.625 -2.456 1.00 0.00 C ATOM 0 H LEU A 749 10.815 1.897 1.861 1.00 0.00 H new ATOM 0 HA LEU A 749 10.298 2.613 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.106 -0.076 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.514 0.217 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 749 12.397 0.733 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.940 -1.507 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.925 -1.580 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.203 -1.869 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.738 0.382 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.991 0.107 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.587 1.701 -2.523 1.00 0.00 H new ATOM 126 N TYR A 750 8.283 2.452 1.532 1.00 0.00 N ATOM 127 CA TYR A 750 6.897 2.710 1.927 1.00 0.00 C ATOM 128 C TYR A 750 6.331 3.877 1.138 1.00 0.00 C ATOM 129 O TYR A 750 5.238 3.790 0.596 1.00 0.00 O ATOM 130 CB TYR A 750 6.779 2.997 3.422 1.00 0.00 C ATOM 131 CG TYR A 750 5.377 3.375 3.863 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.453 2.400 4.215 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.983 4.707 3.939 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.180 2.738 4.634 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.711 5.052 4.355 1.00 0.00 C ATOM 136 CZ TYR A 750 2.815 4.064 4.705 1.00 0.00 C ATOM 137 OH TYR A 750 1.549 4.403 5.119 1.00 0.00 O ATOM 0 H TYR A 750 8.955 2.439 2.299 1.00 0.00 H new ATOM 0 HA TYR A 750 6.324 1.809 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.100 2.116 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.462 3.805 3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.734 1.359 4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.682 5.484 3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.475 1.966 4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.420 6.091 4.406 1.00 0.00 H new ATOM 0 HH TYR A 750 1.572 5.278 5.560 1.00 0.00 H new ATOM 147 N ASP A 751 7.084 4.966 1.066 1.00 0.00 N ATOM 148 CA ASP A 751 6.638 6.136 0.323 1.00 0.00 C ATOM 149 C ASP A 751 6.262 5.729 -1.096 1.00 0.00 C ATOM 150 O ASP A 751 5.301 6.244 -1.670 1.00 0.00 O ATOM 151 CB ASP A 751 7.736 7.203 0.292 1.00 0.00 C ATOM 152 CG ASP A 751 7.261 8.503 -0.327 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.693 9.338 0.408 1.00 0.00 O ATOM 154 OD2 ASP A 751 7.458 8.687 -1.546 1.00 0.00 O ATOM 0 H ASP A 751 7.998 5.064 1.508 1.00 0.00 H new ATOM 0 HA ASP A 751 5.764 6.557 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.083 7.393 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.590 6.826 -0.271 1.00 0.00 H new ATOM 159 N GLU A 752 7.014 4.778 -1.646 1.00 0.00 N ATOM 160 CA GLU A 752 6.747 4.274 -2.985 1.00 0.00 C ATOM 161 C GLU A 752 5.474 3.439 -2.986 1.00 0.00 C ATOM 162 O GLU A 752 4.645 3.551 -3.888 1.00 0.00 O ATOM 163 CB GLU A 752 7.929 3.448 -3.493 1.00 0.00 C ATOM 164 CG GLU A 752 9.081 4.293 -4.013 1.00 0.00 C ATOM 165 CD GLU A 752 8.799 4.887 -5.379 1.00 0.00 C ATOM 166 OE1 GLU A 752 7.986 5.831 -5.459 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.391 4.408 -6.368 1.00 0.00 O ATOM 0 H GLU A 752 7.812 4.343 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 752 6.609 5.122 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.291 2.812 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.585 2.788 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 752 9.284 5.097 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 752 9.981 3.680 -4.066 1.00 0.00 H new ATOM 174 N ALA A 753 5.323 2.610 -1.957 1.00 0.00 N ATOM 175 CA ALA A 753 4.145 1.763 -1.821 1.00 0.00 C ATOM 176 C ALA A 753 2.896 2.622 -1.698 1.00 0.00 C ATOM 177 O ALA A 753 1.943 2.468 -2.457 1.00 0.00 O ATOM 178 CB ALA A 753 4.283 0.852 -0.610 1.00 0.00 C ATOM 0 H ALA A 753 6.004 2.508 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 753 4.057 1.141 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.395 0.226 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.163 0.219 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.390 1.457 0.290 1.00 0.00 H new ATOM 184 N VAL A 754 2.925 3.540 -0.740 1.00 0.00 N ATOM 185 CA VAL A 754 1.818 4.449 -0.504 1.00 0.00 C ATOM 186 C VAL A 754 1.486 5.224 -1.775 1.00 0.00 C ATOM 187 O VAL A 754 0.318 5.380 -2.129 1.00 0.00 O ATOM 188 CB VAL A 754 2.167 5.421 0.644 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.347 6.699 0.588 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.976 4.727 1.977 1.00 0.00 C ATOM 0 H VAL A 754 3.715 3.673 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 754 0.942 3.868 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 754 3.212 5.710 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.630 7.349 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.535 7.211 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.287 6.455 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.223 5.416 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.938 4.409 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.629 3.856 2.031 1.00 0.00 H new ATOM 200 N ARG A 755 2.520 5.686 -2.468 1.00 0.00 N ATOM 201 CA ARG A 755 2.333 6.419 -3.711 1.00 0.00 C ATOM 202 C ARG A 755 1.752 5.495 -4.772 1.00 0.00 C ATOM 203 O ARG A 755 0.923 5.899 -5.591 1.00 0.00 O ATOM 204 CB ARG A 755 3.668 6.989 -4.193 1.00 0.00 C ATOM 205 CG ARG A 755 3.530 7.969 -5.347 1.00 0.00 C ATOM 206 CD ARG A 755 4.837 8.696 -5.618 1.00 0.00 C ATOM 207 NE ARG A 755 4.908 9.201 -6.987 1.00 0.00 N ATOM 208 CZ ARG A 755 5.788 10.111 -7.397 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.674 10.617 -6.549 1.00 0.00 N ATOM 210 NH2 ARG A 755 5.783 10.516 -8.660 1.00 0.00 N ATOM 0 H ARG A 755 3.494 5.566 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 755 1.641 7.243 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.162 7.489 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.315 6.167 -4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.216 7.435 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 755 2.749 8.694 -5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 755 4.942 9.526 -4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.672 8.020 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 755 4.244 8.834 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.683 10.309 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.346 11.314 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 755 5.105 10.130 -9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 755 6.457 11.214 -8.975 1.00 0.00 H new ATOM 224 N PHE A 756 2.203 4.247 -4.742 1.00 0.00 N ATOM 225 CA PHE A 756 1.755 3.235 -5.686 1.00 0.00 C ATOM 226 C PHE A 756 0.279 2.897 -5.474 1.00 0.00 C ATOM 227 O PHE A 756 -0.489 2.822 -6.432 1.00 0.00 O ATOM 228 CB PHE A 756 2.621 1.980 -5.533 1.00 0.00 C ATOM 229 CG PHE A 756 1.938 0.712 -5.949 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.927 0.318 -7.276 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.307 -0.082 -5.010 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.295 -0.848 -7.657 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.675 -1.247 -5.384 1.00 0.00 C ATOM 234 CZ PHE A 756 0.667 -1.632 -6.710 1.00 0.00 C ATOM 0 H PHE A 756 2.887 3.910 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 756 1.860 3.627 -6.697 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.528 2.103 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.930 1.889 -4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.417 0.929 -8.020 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.310 0.214 -3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.292 -1.147 -8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.186 -1.859 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.171 -2.544 -7.006 1.00 0.00 H new ATOM 244 N VAL A 757 -0.113 2.693 -4.219 1.00 0.00 N ATOM 245 CA VAL A 757 -1.493 2.364 -3.902 1.00 0.00 C ATOM 246 C VAL A 757 -2.401 3.563 -4.145 1.00 0.00 C ATOM 247 O VAL A 757 -3.468 3.434 -4.743 1.00 0.00 O ATOM 248 CB VAL A 757 -1.638 1.899 -2.443 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.078 1.524 -2.140 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.708 0.728 -2.163 1.00 0.00 C ATOM 0 H VAL A 757 0.506 2.750 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.791 1.546 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.357 2.725 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.159 1.198 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.721 2.390 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.390 0.715 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.823 0.412 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.957 -0.101 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.324 1.033 -2.336 1.00 0.00 H new ATOM 260 N THR A 758 -1.965 4.730 -3.683 1.00 0.00 N ATOM 261 CA THR A 758 -2.738 5.953 -3.858 1.00 0.00 C ATOM 262 C THR A 758 -3.053 6.188 -5.332 1.00 0.00 C ATOM 263 O THR A 758 -4.175 6.552 -5.686 1.00 0.00 O ATOM 264 CB THR A 758 -1.969 7.148 -3.295 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.596 7.066 -3.630 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.071 7.273 -1.790 1.00 0.00 C ATOM 0 H THR A 758 -1.083 4.854 -3.186 1.00 0.00 H new ATOM 0 HA THR A 758 -3.677 5.843 -3.315 1.00 0.00 H new ATOM 0 HB THR A 758 -2.432 8.026 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.094 6.708 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.502 8.142 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.116 7.393 -1.505 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.668 6.375 -1.322 1.00 0.00 H new ATOM 274 N GLU A 759 -2.056 5.980 -6.187 1.00 0.00 N ATOM 275 CA GLU A 759 -2.228 6.171 -7.623 1.00 0.00 C ATOM 276 C GLU A 759 -2.949 4.983 -8.256 1.00 0.00 C ATOM 277 O GLU A 759 -3.686 5.141 -9.229 1.00 0.00 O ATOM 278 CB GLU A 759 -0.869 6.375 -8.297 1.00 0.00 C ATOM 279 CG GLU A 759 -0.446 7.831 -8.388 1.00 0.00 C ATOM 280 CD GLU A 759 0.794 8.025 -9.239 1.00 0.00 C ATOM 281 OE1 GLU A 759 0.861 7.429 -10.334 1.00 0.00 O ATOM 282 OE2 GLU A 759 1.699 8.771 -8.809 1.00 0.00 O ATOM 0 H GLU A 759 -1.121 5.679 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.840 7.061 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.112 5.820 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.904 5.952 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.264 8.418 -8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -0.258 8.214 -7.385 1.00 0.00 H new ATOM 289 N SER A 760 -2.728 3.794 -7.703 1.00 0.00 N ATOM 290 CA SER A 760 -3.357 2.580 -8.221 1.00 0.00 C ATOM 291 C SER A 760 -4.786 2.424 -7.703 1.00 0.00 C ATOM 292 O SER A 760 -5.560 1.625 -8.231 1.00 0.00 O ATOM 293 CB SER A 760 -2.530 1.349 -7.840 1.00 0.00 C ATOM 294 OG SER A 760 -2.750 0.985 -6.489 1.00 0.00 O ATOM 0 H SER A 760 -2.120 3.644 -6.898 1.00 0.00 H new ATOM 0 HA SER A 760 -3.397 2.667 -9.307 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.792 0.515 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.471 1.556 -7.996 1.00 0.00 H new ATOM 0 HG SER A 760 -2.328 0.119 -6.311 1.00 0.00 H new ATOM 300 N ARG A 761 -5.133 3.186 -6.670 1.00 0.00 N ATOM 301 CA ARG A 761 -6.469 3.124 -6.087 1.00 0.00 C ATOM 302 C ARG A 761 -6.762 1.734 -5.521 1.00 0.00 C ATOM 303 O ARG A 761 -7.920 1.376 -5.306 1.00 0.00 O ATOM 304 CB ARG A 761 -7.525 3.496 -7.130 1.00 0.00 C ATOM 305 CG ARG A 761 -7.466 4.953 -7.562 1.00 0.00 C ATOM 306 CD ARG A 761 -8.239 5.849 -6.606 1.00 0.00 C ATOM 307 NE ARG A 761 -9.675 5.586 -6.648 1.00 0.00 N ATOM 308 CZ ARG A 761 -10.594 6.404 -6.138 1.00 0.00 C ATOM 309 NH1 ARG A 761 -10.231 7.536 -5.548 1.00 0.00 N ATOM 310 NH2 ARG A 761 -11.880 6.089 -6.219 1.00 0.00 N ATOM 0 H ARG A 761 -4.507 3.854 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.508 3.842 -5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.398 2.860 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.515 3.286 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.427 5.278 -7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.875 5.053 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -7.872 5.697 -5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -8.054 6.893 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 761 -9.993 4.725 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -9.244 7.784 -5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -10.939 8.158 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -12.165 5.220 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -12.584 6.715 -5.828 1.00 0.00 H new ATOM 324 N ARG A 762 -5.709 0.957 -5.281 1.00 0.00 N ATOM 325 CA ARG A 762 -5.859 -0.390 -4.741 1.00 0.00 C ATOM 326 C ARG A 762 -4.625 -0.791 -3.936 1.00 0.00 C ATOM 327 O ARG A 762 -3.494 -0.548 -4.355 1.00 0.00 O ATOM 328 CB ARG A 762 -6.094 -1.390 -5.873 1.00 0.00 C ATOM 329 CG ARG A 762 -4.885 -1.592 -6.772 1.00 0.00 C ATOM 330 CD ARG A 762 -5.302 -1.936 -8.192 1.00 0.00 C ATOM 331 NE ARG A 762 -4.252 -1.627 -9.161 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.377 -1.814 -10.473 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.499 -2.315 -10.975 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.377 -1.503 -11.286 1.00 0.00 N ATOM 0 H ARG A 762 -4.743 1.237 -5.452 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.722 -0.397 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.381 -2.350 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -6.933 -1.048 -6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.279 -0.686 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.261 -2.390 -6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.549 -2.996 -8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.206 -1.384 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 762 -3.373 -1.246 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.271 -2.559 -10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.589 -2.456 -11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.511 -1.120 -10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.473 -1.647 -12.291 1.00 0.00 H new ATOM 348 N ALA A 763 -4.849 -1.401 -2.775 1.00 0.00 N ATOM 349 CA ALA A 763 -3.755 -1.827 -1.916 1.00 0.00 C ATOM 350 C ALA A 763 -3.567 -3.339 -1.955 1.00 0.00 C ATOM 351 O ALA A 763 -4.144 -4.068 -1.148 1.00 0.00 O ATOM 352 CB ALA A 763 -4.004 -1.369 -0.487 1.00 0.00 C ATOM 0 H ALA A 763 -5.778 -1.610 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.840 -1.367 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.179 -1.693 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.077 -0.282 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.935 -1.804 -0.123 1.00 0.00 H new ATOM 358 N SER A 764 -2.736 -3.800 -2.882 1.00 0.00 N ATOM 359 CA SER A 764 -2.447 -5.223 -3.008 1.00 0.00 C ATOM 360 C SER A 764 -0.951 -5.449 -2.868 1.00 0.00 C ATOM 361 O SER A 764 -0.162 -4.937 -3.658 1.00 0.00 O ATOM 362 CB SER A 764 -2.938 -5.756 -4.356 1.00 0.00 C ATOM 363 OG SER A 764 -4.319 -6.069 -4.308 1.00 0.00 O ATOM 0 H SER A 764 -2.251 -3.209 -3.557 1.00 0.00 H new ATOM 0 HA SER A 764 -2.970 -5.762 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.757 -5.012 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.370 -6.645 -4.628 1.00 0.00 H new ATOM 0 HG SER A 764 -4.609 -6.406 -5.182 1.00 0.00 H new ATOM 369 N ILE A 765 -0.566 -6.210 -1.853 1.00 0.00 N ATOM 370 CA ILE A 765 0.842 -6.484 -1.605 1.00 0.00 C ATOM 371 C ILE A 765 1.529 -7.043 -2.845 1.00 0.00 C ATOM 372 O ILE A 765 2.599 -6.576 -3.233 1.00 0.00 O ATOM 373 CB ILE A 765 1.035 -7.463 -0.436 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.194 -7.036 0.770 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.504 -7.531 -0.064 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.016 -8.131 1.801 1.00 0.00 C ATOM 0 H ILE A 765 -1.206 -6.647 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 765 1.299 -5.530 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 765 0.701 -8.453 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.664 -6.175 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.787 -6.712 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.638 -8.226 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.081 -7.875 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.850 -6.541 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.590 -7.758 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.482 -8.985 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 765 0.992 -8.439 2.177 1.00 0.00 H new ATOM 388 N SER A 766 0.908 -8.038 -3.467 1.00 0.00 N ATOM 389 CA SER A 766 1.466 -8.648 -4.668 1.00 0.00 C ATOM 390 C SER A 766 1.714 -7.586 -5.734 1.00 0.00 C ATOM 391 O SER A 766 2.742 -7.594 -6.414 1.00 0.00 O ATOM 392 CB SER A 766 0.521 -9.722 -5.206 1.00 0.00 C ATOM 393 OG SER A 766 0.864 -10.089 -6.531 1.00 0.00 O ATOM 0 H SER A 766 0.021 -8.439 -3.161 1.00 0.00 H new ATOM 0 HA SER A 766 2.417 -9.115 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.559 -10.600 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.504 -9.353 -5.182 1.00 0.00 H new ATOM 0 HG SER A 766 0.245 -10.778 -6.850 1.00 0.00 H new ATOM 399 N ALA A 767 0.769 -6.664 -5.862 1.00 0.00 N ATOM 400 CA ALA A 767 0.883 -5.586 -6.831 1.00 0.00 C ATOM 401 C ALA A 767 1.962 -4.597 -6.411 1.00 0.00 C ATOM 402 O ALA A 767 2.725 -4.107 -7.244 1.00 0.00 O ATOM 403 CB ALA A 767 -0.456 -4.884 -7.000 1.00 0.00 C ATOM 0 H ALA A 767 -0.085 -6.642 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 767 1.172 -6.013 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.356 -4.079 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.200 -5.599 -7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.773 -4.470 -6.043 1.00 0.00 H new ATOM 409 N VAL A 768 2.033 -4.317 -5.113 1.00 0.00 N ATOM 410 CA VAL A 768 3.037 -3.397 -4.594 1.00 0.00 C ATOM 411 C VAL A 768 4.431 -3.945 -4.841 1.00 0.00 C ATOM 412 O VAL A 768 5.312 -3.228 -5.300 1.00 0.00 O ATOM 413 CB VAL A 768 2.876 -3.136 -3.082 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.875 -2.091 -2.614 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.468 -2.688 -2.753 1.00 0.00 C ATOM 0 H VAL A 768 1.412 -4.711 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 768 2.894 -2.454 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 768 3.070 -4.073 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.748 -1.919 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.888 -2.444 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.707 -1.159 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.384 -2.511 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.244 -1.767 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.761 -3.463 -3.050 1.00 0.00 H new ATOM 425 N GLN A 769 4.626 -5.220 -4.531 1.00 0.00 N ATOM 426 CA GLN A 769 5.923 -5.846 -4.726 1.00 0.00 C ATOM 427 C GLN A 769 6.260 -5.920 -6.207 1.00 0.00 C ATOM 428 O GLN A 769 7.425 -5.813 -6.593 1.00 0.00 O ATOM 429 CB GLN A 769 5.960 -7.241 -4.093 1.00 0.00 C ATOM 430 CG GLN A 769 5.071 -8.261 -4.785 1.00 0.00 C ATOM 431 CD GLN A 769 5.762 -9.596 -4.985 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.969 -10.323 -3.895 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 6.106 -9.968 -6.108 1.00 0.00 N flip ATOM 0 H GLN A 769 3.908 -5.835 -4.147 1.00 0.00 H new ATOM 0 HA GLN A 769 6.675 -5.232 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.987 -7.605 -4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.659 -7.162 -3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.167 -8.409 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.759 -7.869 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.926 -9.376 -6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.570 -10.868 -6.227 1.00 0.00 H new ATOM 442 N ARG A 770 5.232 -6.097 -7.027 1.00 0.00 N ATOM 443 CA ARG A 770 5.404 -6.180 -8.468 1.00 0.00 C ATOM 444 C ARG A 770 5.760 -4.816 -9.058 1.00 0.00 C ATOM 445 O ARG A 770 6.617 -4.715 -9.937 1.00 0.00 O ATOM 446 CB ARG A 770 4.122 -6.716 -9.109 1.00 0.00 C ATOM 447 CG ARG A 770 4.203 -8.183 -9.490 1.00 0.00 C ATOM 448 CD ARG A 770 3.047 -8.592 -10.388 1.00 0.00 C ATOM 449 NE ARG A 770 3.089 -10.014 -10.719 1.00 0.00 N ATOM 450 CZ ARG A 770 2.300 -10.588 -11.626 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.408 -9.866 -12.292 1.00 0.00 N ATOM 452 NH2 ARG A 770 2.404 -11.888 -11.866 1.00 0.00 N ATOM 0 H ARG A 770 4.265 -6.186 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 770 6.227 -6.862 -8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.292 -6.574 -8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.898 -6.129 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.147 -8.375 -10.000 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.198 -8.795 -8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.104 -8.363 -9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.075 -8.005 -11.306 1.00 0.00 H new ATOM 0 HE ARG A 770 3.762 -10.602 -10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.324 -8.866 -12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.807 -10.311 -12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 770 3.088 -12.448 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.800 -12.328 -12.560 1.00 0.00 H new ATOM 466 N LYS A 771 5.092 -3.772 -8.576 1.00 0.00 N ATOM 467 CA LYS A 771 5.331 -2.416 -9.064 1.00 0.00 C ATOM 468 C LYS A 771 6.595 -1.805 -8.459 1.00 0.00 C ATOM 469 O LYS A 771 7.327 -1.082 -9.135 1.00 0.00 O ATOM 470 CB LYS A 771 4.122 -1.526 -8.768 1.00 0.00 C ATOM 471 CG LYS A 771 3.731 -0.630 -9.931 1.00 0.00 C ATOM 472 CD LYS A 771 4.211 0.794 -9.719 1.00 0.00 C ATOM 473 CE LYS A 771 3.244 1.803 -10.316 1.00 0.00 C ATOM 474 NZ LYS A 771 3.622 3.203 -9.977 1.00 0.00 N ATOM 0 H LYS A 771 4.381 -3.838 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 771 5.479 -2.478 -10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.273 -2.156 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.341 -0.905 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.155 -1.025 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.647 -0.637 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 771 4.325 0.985 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 771 5.194 0.919 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 771 3.220 1.686 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.237 1.600 -9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 2.938 3.860 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 3.620 3.323 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 4.573 3.405 -10.347 1.00 0.00 H new ATOM 488 N LEU A 772 6.848 -2.096 -7.188 1.00 0.00 N ATOM 489 CA LEU A 772 8.027 -1.568 -6.501 1.00 0.00 C ATOM 490 C LEU A 772 9.219 -2.514 -6.621 1.00 0.00 C ATOM 491 O LEU A 772 10.335 -2.161 -6.242 1.00 0.00 O ATOM 492 CB LEU A 772 7.724 -1.313 -5.019 1.00 0.00 C ATOM 493 CG LEU A 772 7.551 0.159 -4.631 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.080 0.540 -4.569 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.228 0.436 -3.293 1.00 0.00 C ATOM 0 H LEU A 772 6.256 -2.693 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 772 8.284 -0.626 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.814 -1.851 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.531 -1.737 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 772 8.025 0.770 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.987 1.590 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.622 0.381 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.575 -0.078 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.097 1.486 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.780 -0.190 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.292 0.211 -3.370 1.00 0.00 H new ATOM 507 N LYS A 773 8.982 -3.719 -7.128 1.00 0.00 N ATOM 508 CA LYS A 773 10.048 -4.700 -7.266 1.00 0.00 C ATOM 509 C LYS A 773 10.631 -5.025 -5.896 1.00 0.00 C ATOM 510 O LYS A 773 11.846 -5.149 -5.736 1.00 0.00 O ATOM 511 CB LYS A 773 11.143 -4.177 -8.198 1.00 0.00 C ATOM 512 CG LYS A 773 10.702 -4.061 -9.648 1.00 0.00 C ATOM 513 CD LYS A 773 11.602 -3.119 -10.432 1.00 0.00 C ATOM 514 CE LYS A 773 12.636 -3.883 -11.243 1.00 0.00 C ATOM 515 NZ LYS A 773 13.192 -3.058 -12.351 1.00 0.00 N ATOM 0 H LYS A 773 8.067 -4.037 -7.448 1.00 0.00 H new ATOM 0 HA LYS A 773 9.634 -5.609 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.471 -3.198 -7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.005 -4.841 -8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.713 -5.047 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.674 -3.701 -9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 773 10.996 -2.506 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 773 12.106 -2.440 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.446 -4.205 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.181 -4.784 -11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.893 -3.615 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 12.423 -2.772 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 13.648 -2.210 -11.957 1.00 0.00 H new ATOM 529 N ILE A 774 9.748 -5.161 -4.912 1.00 0.00 N ATOM 530 CA ILE A 774 10.161 -5.472 -3.548 1.00 0.00 C ATOM 531 C ILE A 774 9.707 -6.875 -3.160 1.00 0.00 C ATOM 532 O ILE A 774 9.180 -7.616 -3.989 1.00 0.00 O ATOM 533 CB ILE A 774 9.596 -4.455 -2.530 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.080 -4.339 -2.673 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.250 -3.097 -2.716 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.438 -3.374 -1.696 1.00 0.00 C ATOM 0 H ILE A 774 8.740 -5.061 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 774 11.249 -5.416 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 774 9.822 -4.814 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.845 -4.021 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.637 -5.325 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.840 -2.394 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.326 -3.188 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 774 10.054 -2.734 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.361 -3.350 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.639 -3.701 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.851 -2.376 -1.845 1.00 0.00 H new ATOM 548 N GLY A 775 9.911 -7.235 -1.899 1.00 0.00 N ATOM 549 CA GLY A 775 9.511 -8.548 -1.433 1.00 0.00 C ATOM 550 C GLY A 775 8.082 -8.567 -0.934 1.00 0.00 C ATOM 551 O GLY A 775 7.575 -7.554 -0.456 1.00 0.00 O ATOM 0 H GLY A 775 10.346 -6.642 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.620 -9.268 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.178 -8.866 -0.632 1.00 0.00 H new ATOM 555 N TYR A 776 7.426 -9.718 -1.043 1.00 0.00 N ATOM 556 CA TYR A 776 6.046 -9.850 -0.594 1.00 0.00 C ATOM 557 C TYR A 776 5.913 -9.438 0.867 1.00 0.00 C ATOM 558 O TYR A 776 5.004 -8.694 1.235 1.00 0.00 O ATOM 559 CB TYR A 776 5.558 -11.288 -0.778 1.00 0.00 C ATOM 560 CG TYR A 776 4.138 -11.508 -0.304 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.860 -11.700 1.043 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.079 -11.521 -1.202 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.566 -11.898 1.482 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.781 -11.718 -0.770 1.00 0.00 C ATOM 565 CZ TYR A 776 1.530 -11.907 0.572 1.00 0.00 C ATOM 566 OH TYR A 776 0.238 -12.105 1.006 1.00 0.00 O ATOM 0 H TYR A 776 7.827 -10.569 -1.437 1.00 0.00 H new ATOM 0 HA TYR A 776 5.428 -9.188 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.626 -11.554 -1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.222 -11.961 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.669 -11.694 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.273 -11.375 -2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.366 -12.045 2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.968 -11.724 -1.480 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.372 -12.082 0.239 1.00 0.00 H new ATOM 576 N ASN A 777 6.830 -9.925 1.696 1.00 0.00 N ATOM 577 CA ASN A 777 6.820 -9.607 3.117 1.00 0.00 C ATOM 578 C ASN A 777 7.035 -8.113 3.340 1.00 0.00 C ATOM 579 O ASN A 777 6.304 -7.480 4.100 1.00 0.00 O ATOM 580 CB ASN A 777 7.901 -10.405 3.848 1.00 0.00 C ATOM 581 CG ASN A 777 7.487 -11.842 4.100 1.00 0.00 C ATOM 582 OD1 ASN A 777 7.134 -12.211 5.220 1.00 0.00 O ATOM 583 ND2 ASN A 777 7.528 -12.661 3.056 1.00 0.00 N ATOM 0 H ASN A 777 7.589 -10.542 1.407 1.00 0.00 H new ATOM 0 HA ASN A 777 5.844 -9.880 3.519 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.819 -10.392 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.125 -9.922 4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 777 7.260 -13.639 3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 777 7.827 -12.312 2.145 1.00 0.00 H new ATOM 590 N ARG A 778 8.039 -7.553 2.671 1.00 0.00 N ATOM 591 CA ARG A 778 8.342 -6.135 2.801 1.00 0.00 C ATOM 592 C ARG A 778 7.147 -5.285 2.380 1.00 0.00 C ATOM 593 O ARG A 778 6.723 -4.388 3.108 1.00 0.00 O ATOM 594 CB ARG A 778 9.569 -5.788 1.957 1.00 0.00 C ATOM 595 CG ARG A 778 9.801 -4.297 1.790 1.00 0.00 C ATOM 596 CD ARG A 778 10.994 -4.027 0.895 1.00 0.00 C ATOM 597 NE ARG A 778 11.853 -2.973 1.433 1.00 0.00 N ATOM 598 CZ ARG A 778 13.085 -3.176 1.900 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.619 -4.392 1.905 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.788 -2.152 2.367 1.00 0.00 N ATOM 0 H ARG A 778 8.654 -8.060 2.035 1.00 0.00 H new ATOM 0 HA ARG A 778 8.558 -5.918 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.451 -6.234 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.460 -6.241 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.911 -3.833 1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.964 -3.840 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.574 -4.943 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.646 -3.740 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 778 11.486 -2.021 1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.085 -5.185 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.563 -4.533 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.385 -1.215 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.731 -2.302 2.725 1.00 0.00 H new ATOM 614 N ALA A 779 6.605 -5.582 1.207 1.00 0.00 N ATOM 615 CA ALA A 779 5.452 -4.854 0.694 1.00 0.00 C ATOM 616 C ALA A 779 4.294 -4.936 1.681 1.00 0.00 C ATOM 617 O ALA A 779 3.703 -3.921 2.045 1.00 0.00 O ATOM 618 CB ALA A 779 5.043 -5.401 -0.665 1.00 0.00 C ATOM 0 H ALA A 779 6.945 -6.322 0.593 1.00 0.00 H new ATOM 0 HA ALA A 779 5.725 -3.806 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.180 -4.847 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.871 -5.293 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.784 -6.455 -0.570 1.00 0.00 H new ATOM 624 N ALA A 780 3.984 -6.153 2.123 1.00 0.00 N ATOM 625 CA ALA A 780 2.907 -6.370 3.081 1.00 0.00 C ATOM 626 C ALA A 780 3.127 -5.542 4.341 1.00 0.00 C ATOM 627 O ALA A 780 2.183 -4.973 4.890 1.00 0.00 O ATOM 628 CB ALA A 780 2.801 -7.847 3.434 1.00 0.00 C ATOM 0 H ALA A 780 4.465 -7.004 1.831 1.00 0.00 H new ATOM 0 HA ALA A 780 1.972 -6.051 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.992 -7.993 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.595 -8.423 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.740 -8.184 3.873 1.00 0.00 H new ATOM 634 N ARG A 781 4.376 -5.468 4.795 1.00 0.00 N ATOM 635 CA ARG A 781 4.704 -4.696 5.987 1.00 0.00 C ATOM 636 C ARG A 781 4.345 -3.231 5.774 1.00 0.00 C ATOM 637 O ARG A 781 3.678 -2.615 6.607 1.00 0.00 O ATOM 638 CB ARG A 781 6.191 -4.832 6.322 1.00 0.00 C ATOM 639 CG ARG A 781 6.550 -6.171 6.944 1.00 0.00 C ATOM 640 CD ARG A 781 7.704 -6.039 7.925 1.00 0.00 C ATOM 641 NE ARG A 781 8.982 -5.857 7.243 1.00 0.00 N ATOM 642 CZ ARG A 781 10.158 -6.206 7.762 1.00 0.00 C ATOM 643 NH1 ARG A 781 10.226 -6.749 8.971 1.00 0.00 N ATOM 644 NH2 ARG A 781 11.271 -6.007 7.068 1.00 0.00 N ATOM 0 H ARG A 781 5.172 -5.931 4.357 1.00 0.00 H new ATOM 0 HA ARG A 781 4.125 -5.085 6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.775 -4.694 5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.476 -4.034 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.680 -6.580 7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.818 -6.878 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 781 7.522 -5.192 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 781 7.751 -6.929 8.552 1.00 0.00 H new ATOM 0 HE ARG A 781 8.974 -5.437 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 781 9.374 -6.902 9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 781 11.131 -7.013 9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 781 11.225 -5.588 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 781 12.173 -6.273 7.463 1.00 0.00 H new ATOM 658 N MET A 782 4.768 -2.686 4.637 1.00 0.00 N ATOM 659 CA MET A 782 4.464 -1.304 4.302 1.00 0.00 C ATOM 660 C MET A 782 2.960 -1.144 4.147 1.00 0.00 C ATOM 661 O MET A 782 2.378 -0.147 4.570 1.00 0.00 O ATOM 662 CB MET A 782 5.178 -0.892 3.014 1.00 0.00 C ATOM 663 CG MET A 782 6.683 -0.758 3.172 1.00 0.00 C ATOM 664 SD MET A 782 7.601 -1.616 1.879 1.00 0.00 S ATOM 665 CE MET A 782 7.096 -0.687 0.433 1.00 0.00 C ATOM 0 H MET A 782 5.320 -3.181 3.936 1.00 0.00 H new ATOM 0 HA MET A 782 4.816 -0.656 5.105 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.966 -1.629 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.771 0.059 2.670 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.952 0.298 3.162 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.978 -1.153 4.144 1.00 0.00 H new ATOM 0 HE1 MET A 782 7.963 -0.500 -0.200 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.355 -1.258 -0.126 1.00 0.00 H new ATOM 0 HE3 MET A 782 6.662 0.263 0.744 1.00 0.00 H new ATOM 675 N ILE A 783 2.335 -2.158 3.560 1.00 0.00 N ATOM 676 CA ILE A 783 0.895 -2.163 3.368 1.00 0.00 C ATOM 677 C ILE A 783 0.207 -2.104 4.733 1.00 0.00 C ATOM 678 O ILE A 783 -0.764 -1.367 4.930 1.00 0.00 O ATOM 679 CB ILE A 783 0.458 -3.424 2.575 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.841 -3.280 1.094 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.032 -3.695 2.716 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.094 -2.388 0.294 1.00 0.00 C ATOM 0 H ILE A 783 2.808 -2.990 3.208 1.00 0.00 H new ATOM 0 HA ILE A 783 0.600 -1.290 2.786 1.00 0.00 H new ATOM 0 HB ILE A 783 0.985 -4.279 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.852 -2.879 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.861 -4.269 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.295 -4.586 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.275 -3.852 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.594 -2.842 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.246 -2.339 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.103 -2.798 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.096 -1.386 0.723 1.00 0.00 H new ATOM 694 N GLU A 784 0.752 -2.848 5.692 1.00 0.00 N ATOM 695 CA GLU A 784 0.227 -2.843 7.050 1.00 0.00 C ATOM 696 C GLU A 784 0.274 -1.417 7.581 1.00 0.00 C ATOM 697 O GLU A 784 -0.682 -0.913 8.184 1.00 0.00 O ATOM 698 CB GLU A 784 1.059 -3.768 7.940 1.00 0.00 C ATOM 699 CG GLU A 784 0.228 -4.691 8.815 1.00 0.00 C ATOM 700 CD GLU A 784 -0.078 -6.015 8.143 1.00 0.00 C ATOM 701 OE1 GLU A 784 0.838 -6.591 7.520 1.00 0.00 O ATOM 702 OE2 GLU A 784 -1.235 -6.476 8.240 1.00 0.00 O ATOM 0 H GLU A 784 1.556 -3.460 5.552 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.801 -3.204 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.712 -4.372 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.702 -3.161 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 784 0.760 -4.876 9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -0.707 -4.195 9.074 1.00 0.00 H new ATOM 709 N ALA A 785 1.400 -0.764 7.310 1.00 0.00 N ATOM 710 CA ALA A 785 1.604 0.617 7.707 1.00 0.00 C ATOM 711 C ALA A 785 0.551 1.500 7.060 1.00 0.00 C ATOM 712 O ALA A 785 0.112 2.486 7.642 1.00 0.00 O ATOM 713 CB ALA A 785 3.002 1.080 7.326 1.00 0.00 C ATOM 0 H ALA A 785 2.189 -1.177 6.813 1.00 0.00 H new ATOM 0 HA ALA A 785 1.507 0.692 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.137 2.118 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.741 0.455 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.130 1.000 6.247 1.00 0.00 H new ATOM 719 N MET A 786 0.142 1.131 5.846 1.00 0.00 N ATOM 720 CA MET A 786 -0.875 1.887 5.127 1.00 0.00 C ATOM 721 C MET A 786 -2.207 1.795 5.860 1.00 0.00 C ATOM 722 O MET A 786 -2.960 2.764 5.925 1.00 0.00 O ATOM 723 CB MET A 786 -1.025 1.382 3.692 1.00 0.00 C ATOM 724 CG MET A 786 -0.018 1.989 2.738 1.00 0.00 C ATOM 725 SD MET A 786 -0.326 1.556 1.016 1.00 0.00 S ATOM 726 CE MET A 786 1.135 0.589 0.645 1.00 0.00 C ATOM 0 H MET A 786 0.499 0.317 5.345 1.00 0.00 H new ATOM 0 HA MET A 786 -0.560 2.930 5.086 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.917 0.297 3.682 1.00 0.00 H new ATOM 0 HB3 MET A 786 -2.032 1.605 3.338 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.036 3.074 2.842 1.00 0.00 H new ATOM 0 HG3 MET A 786 0.983 1.658 3.016 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.013 0.102 -0.322 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.006 1.243 0.614 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.276 -0.167 1.417 1.00 0.00 H new ATOM 736 N GLU A 787 -2.488 0.624 6.420 1.00 0.00 N ATOM 737 CA GLU A 787 -3.725 0.417 7.165 1.00 0.00 C ATOM 738 C GLU A 787 -3.767 1.317 8.391 1.00 0.00 C ATOM 739 O GLU A 787 -4.721 2.067 8.597 1.00 0.00 O ATOM 740 CB GLU A 787 -3.859 -1.045 7.596 1.00 0.00 C ATOM 741 CG GLU A 787 -4.871 -1.822 6.778 1.00 0.00 C ATOM 742 CD GLU A 787 -5.285 -3.121 7.442 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.398 -3.832 7.959 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.496 -3.425 7.445 1.00 0.00 O ATOM 0 H GLU A 787 -1.879 -0.193 6.373 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.558 0.669 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.887 -1.531 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.147 -1.082 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.754 -1.203 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.450 -2.038 5.796 1.00 0.00 H new ATOM 751 N MET A 788 -2.725 1.225 9.205 1.00 0.00 N ATOM 752 CA MET A 788 -2.629 2.020 10.425 1.00 0.00 C ATOM 753 C MET A 788 -2.458 3.505 10.113 1.00 0.00 C ATOM 754 O MET A 788 -2.987 4.365 10.817 1.00 0.00 O ATOM 755 CB MET A 788 -1.453 1.532 11.270 1.00 0.00 C ATOM 756 CG MET A 788 -1.747 0.260 12.044 1.00 0.00 C ATOM 757 SD MET A 788 -0.589 -0.012 13.399 1.00 0.00 S ATOM 758 CE MET A 788 0.977 0.201 12.555 1.00 0.00 C ATOM 0 H MET A 788 -1.931 0.606 9.043 1.00 0.00 H new ATOM 0 HA MET A 788 -3.559 1.897 10.980 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.595 1.361 10.619 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.170 2.317 11.971 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.761 0.307 12.442 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.711 -0.591 11.364 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.780 -0.207 13.169 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.949 -0.322 11.599 1.00 0.00 H new ATOM 0 HE3 MET A 788 1.156 1.262 12.382 1.00 0.00 H new ATOM 768 N ALA A 789 -1.704 3.793 9.062 1.00 0.00 N ATOM 769 CA ALA A 789 -1.437 5.167 8.648 1.00 0.00 C ATOM 770 C ALA A 789 -2.672 5.834 8.053 1.00 0.00 C ATOM 771 O ALA A 789 -2.758 7.060 7.999 1.00 0.00 O ATOM 772 CB ALA A 789 -0.302 5.192 7.635 1.00 0.00 C ATOM 0 H ALA A 789 -1.261 3.087 8.474 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.152 5.728 9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.108 6.221 7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.597 4.772 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.580 4.602 6.762 1.00 0.00 H new ATOM 778 N GLY A 790 -3.615 5.025 7.589 1.00 0.00 N ATOM 779 CA GLY A 790 -4.816 5.567 6.983 1.00 0.00 C ATOM 780 C GLY A 790 -4.651 5.775 5.489 1.00 0.00 C ATOM 781 O GLY A 790 -5.407 6.519 4.868 1.00 0.00 O ATOM 0 H GLY A 790 -3.571 4.006 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.652 4.891 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.065 6.517 7.457 1.00 0.00 H new ATOM 785 N VAL A 791 -3.650 5.109 4.917 1.00 0.00 N ATOM 786 CA VAL A 791 -3.365 5.204 3.494 1.00 0.00 C ATOM 787 C VAL A 791 -4.252 4.257 2.701 1.00 0.00 C ATOM 788 O VAL A 791 -4.642 4.554 1.573 1.00 0.00 O ATOM 789 CB VAL A 791 -1.888 4.888 3.208 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.577 5.041 1.728 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.990 5.784 4.043 1.00 0.00 C ATOM 0 H VAL A 791 -3.018 4.492 5.428 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.573 6.228 3.184 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.697 3.851 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.526 4.812 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.199 4.356 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.782 6.065 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.054 5.551 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.186 6.827 3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.192 5.617 5.101 1.00 0.00 H new ATOM 801 N VAL A 792 -4.584 3.120 3.303 1.00 0.00 N ATOM 802 CA VAL A 792 -5.447 2.146 2.647 1.00 0.00 C ATOM 803 C VAL A 792 -6.506 1.614 3.606 1.00 0.00 C ATOM 804 O VAL A 792 -6.230 1.374 4.782 1.00 0.00 O ATOM 805 CB VAL A 792 -4.644 0.968 2.054 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.526 1.483 1.166 1.00 0.00 C ATOM 807 CG2 VAL A 792 -4.085 0.066 3.146 1.00 0.00 C ATOM 0 H VAL A 792 -4.271 2.852 4.236 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.939 2.669 1.827 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.327 0.371 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.970 0.640 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.950 2.069 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.855 2.110 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.526 -0.752 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.423 0.643 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.905 -0.340 3.738 1.00 0.00 H new ATOM 817 N THR A 793 -7.717 1.429 3.098 1.00 0.00 N ATOM 818 CA THR A 793 -8.808 0.919 3.915 1.00 0.00 C ATOM 819 C THR A 793 -8.667 -0.592 4.079 1.00 0.00 C ATOM 820 O THR A 793 -7.998 -1.243 3.277 1.00 0.00 O ATOM 821 CB THR A 793 -10.172 1.255 3.292 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.578 0.243 2.389 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.197 2.572 2.543 1.00 0.00 C ATOM 0 H THR A 793 -7.967 1.624 2.129 1.00 0.00 H new ATOM 0 HA THR A 793 -8.756 1.398 4.893 1.00 0.00 H new ATOM 0 HB THR A 793 -10.853 1.330 4.139 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.520 0.374 2.153 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.193 2.738 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.946 3.384 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.470 2.543 1.731 1.00 0.00 H new ATOM 831 N PRO A 794 -9.292 -1.180 5.111 1.00 0.00 N ATOM 832 CA PRO A 794 -9.219 -2.623 5.345 1.00 0.00 C ATOM 833 C PRO A 794 -9.748 -3.415 4.156 1.00 0.00 C ATOM 834 O PRO A 794 -10.393 -2.860 3.266 1.00 0.00 O ATOM 835 CB PRO A 794 -10.103 -2.843 6.578 1.00 0.00 C ATOM 836 CG PRO A 794 -10.957 -1.627 6.662 1.00 0.00 C ATOM 837 CD PRO A 794 -10.122 -0.503 6.119 1.00 0.00 C ATOM 0 HA PRO A 794 -8.193 -2.963 5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.708 -3.744 6.474 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.501 -2.965 7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.872 -1.750 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.257 -1.430 7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.736 0.282 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.517 -0.036 6.896 1.00 0.00 H new ATOM 845 N MET A 795 -9.467 -4.709 4.145 1.00 0.00 N ATOM 846 CA MET A 795 -9.909 -5.576 3.062 1.00 0.00 C ATOM 847 C MET A 795 -11.428 -5.695 3.044 1.00 0.00 C ATOM 848 O MET A 795 -12.090 -5.511 4.066 1.00 0.00 O ATOM 849 CB MET A 795 -9.279 -6.961 3.203 1.00 0.00 C ATOM 850 CG MET A 795 -7.819 -6.932 3.632 1.00 0.00 C ATOM 851 SD MET A 795 -6.724 -7.717 2.432 1.00 0.00 S ATOM 852 CE MET A 795 -5.455 -8.375 3.511 1.00 0.00 C ATOM 0 H MET A 795 -8.934 -5.183 4.874 1.00 0.00 H new ATOM 0 HA MET A 795 -9.588 -5.131 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.850 -7.537 3.931 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.357 -7.484 2.250 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.508 -5.898 3.779 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.717 -7.435 4.594 1.00 0.00 H new ATOM 0 HE1 MET A 795 -4.702 -8.891 2.915 1.00 0.00 H new ATOM 0 HE2 MET A 795 -4.986 -7.559 4.061 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.904 -9.076 4.215 1.00 0.00 H new ATOM 862 N ASN A 796 -11.973 -6.007 1.874 1.00 0.00 N ATOM 863 CA ASN A 796 -13.415 -6.156 1.720 1.00 0.00 C ATOM 864 C ASN A 796 -13.801 -7.627 1.602 1.00 0.00 C ATOM 865 O ASN A 796 -12.938 -8.505 1.581 1.00 0.00 O ATOM 866 CB ASN A 796 -13.904 -5.385 0.491 1.00 0.00 C ATOM 867 CG ASN A 796 -13.282 -5.882 -0.793 1.00 0.00 C ATOM 868 OD1 ASN A 796 -12.791 -7.006 -0.868 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.303 -5.037 -1.813 1.00 0.00 N ATOM 0 H ASN A 796 -11.439 -6.162 1.019 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.893 -5.744 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -14.988 -5.470 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -13.674 -4.327 0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -12.900 -5.310 -2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.722 -4.114 -1.702 1.00 0.00 H new ATOM 876 N THR A 797 -15.102 -7.891 1.528 1.00 0.00 N ATOM 877 CA THR A 797 -15.602 -9.257 1.417 1.00 0.00 C ATOM 878 C THR A 797 -14.979 -9.974 0.221 1.00 0.00 C ATOM 879 O THR A 797 -14.805 -11.192 0.238 1.00 0.00 O ATOM 880 CB THR A 797 -17.127 -9.256 1.286 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.615 -10.573 1.104 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.629 -8.416 0.133 1.00 0.00 C ATOM 0 H THR A 797 -15.830 -7.176 1.543 1.00 0.00 H new ATOM 0 HA THR A 797 -15.321 -9.792 2.324 1.00 0.00 H new ATOM 0 HB THR A 797 -17.496 -8.823 2.216 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.591 -10.552 1.024 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.718 -8.460 0.098 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.311 -7.382 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.220 -8.800 -0.802 1.00 0.00 H new ATOM 890 N ASN A 798 -14.643 -9.210 -0.813 1.00 0.00 N ATOM 891 CA ASN A 798 -14.038 -9.773 -2.015 1.00 0.00 C ATOM 892 C ASN A 798 -12.551 -10.054 -1.804 1.00 0.00 C ATOM 893 O ASN A 798 -11.941 -10.809 -2.562 1.00 0.00 O ATOM 894 CB ASN A 798 -14.228 -8.823 -3.199 1.00 0.00 C ATOM 895 CG ASN A 798 -15.321 -9.278 -4.137 1.00 0.00 C ATOM 896 OD1 ASN A 798 -15.573 -10.474 -4.287 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.976 -8.320 -4.775 1.00 0.00 N ATOM 0 H ASN A 798 -14.779 -8.200 -0.843 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.537 -10.718 -2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.465 -7.826 -2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.291 -8.743 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.726 -8.560 -5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.731 -7.343 -4.618 1.00 0.00 H new ATOM 904 N GLY A 799 -11.971 -9.444 -0.773 1.00 0.00 N ATOM 905 CA GLY A 799 -10.562 -9.645 -0.489 1.00 0.00 C ATOM 906 C GLY A 799 -9.682 -8.611 -1.162 1.00 0.00 C ATOM 907 O GLY A 799 -8.531 -8.890 -1.498 1.00 0.00 O ATOM 0 H GLY A 799 -12.452 -8.815 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.403 -9.607 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.266 -10.640 -0.820 1.00 0.00 H new ATOM 911 N SER A 800 -10.223 -7.413 -1.361 1.00 0.00 N ATOM 912 CA SER A 800 -9.478 -6.334 -2.000 1.00 0.00 C ATOM 913 C SER A 800 -9.515 -5.066 -1.152 1.00 0.00 C ATOM 914 O SER A 800 -10.579 -4.627 -0.718 1.00 0.00 O ATOM 915 CB SER A 800 -10.047 -6.047 -3.389 1.00 0.00 C ATOM 916 OG SER A 800 -10.067 -7.218 -4.186 1.00 0.00 O ATOM 0 H SER A 800 -11.174 -7.165 -1.089 1.00 0.00 H new ATOM 0 HA SER A 800 -8.440 -6.653 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.058 -5.650 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.447 -5.280 -3.879 1.00 0.00 H new ATOM 0 HG SER A 800 -10.437 -7.007 -5.069 1.00 0.00 H new ATOM 922 N ARG A 801 -8.343 -4.484 -0.922 1.00 0.00 N ATOM 923 CA ARG A 801 -8.235 -3.266 -0.129 1.00 0.00 C ATOM 924 C ARG A 801 -8.553 -2.033 -0.963 1.00 0.00 C ATOM 925 O ARG A 801 -8.671 -2.104 -2.187 1.00 0.00 O ATOM 926 CB ARG A 801 -6.826 -3.131 0.450 1.00 0.00 C ATOM 927 CG ARG A 801 -6.668 -3.753 1.822 1.00 0.00 C ATOM 928 CD ARG A 801 -5.262 -4.296 2.025 1.00 0.00 C ATOM 929 NE ARG A 801 -4.334 -3.287 2.531 1.00 0.00 N ATOM 930 CZ ARG A 801 -3.871 -3.257 3.779 1.00 0.00 C ATOM 931 NH1 ARG A 801 -4.305 -4.128 4.683 1.00 0.00 N ATOM 932 NH2 ARG A 801 -2.971 -2.350 4.125 1.00 0.00 N ATOM 0 H ARG A 801 -7.453 -4.837 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 801 -8.960 -3.337 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.116 -3.596 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.567 -2.074 0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.887 -3.009 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.392 -4.559 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.298 -5.133 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.887 -4.686 1.078 1.00 0.00 H new ATOM 0 HE ARG A 801 -4.021 -2.560 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -5.000 -4.829 4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.944 -4.096 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -2.634 -1.677 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.614 -2.324 5.080 1.00 0.00 H new ATOM 946 N GLU A 802 -8.671 -0.900 -0.285 1.00 0.00 N ATOM 947 CA GLU A 802 -8.953 0.368 -0.944 1.00 0.00 C ATOM 948 C GLU A 802 -7.958 1.422 -0.475 1.00 0.00 C ATOM 949 O GLU A 802 -7.047 1.120 0.294 1.00 0.00 O ATOM 950 CB GLU A 802 -10.387 0.818 -0.653 1.00 0.00 C ATOM 951 CG GLU A 802 -11.334 0.618 -1.825 1.00 0.00 C ATOM 952 CD GLU A 802 -12.774 0.436 -1.386 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.306 1.339 -0.706 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.371 -0.609 -1.722 1.00 0.00 O ATOM 0 H GLU A 802 -8.575 -0.833 0.728 1.00 0.00 H new ATOM 0 HA GLU A 802 -8.851 0.237 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.765 0.266 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.380 1.873 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.267 1.477 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.019 -0.255 -2.397 1.00 0.00 H new ATOM 961 N VAL A 803 -8.123 2.653 -0.940 1.00 0.00 N ATOM 962 CA VAL A 803 -7.215 3.725 -0.554 1.00 0.00 C ATOM 963 C VAL A 803 -7.935 4.863 0.156 1.00 0.00 C ATOM 964 O VAL A 803 -8.983 5.330 -0.292 1.00 0.00 O ATOM 965 CB VAL A 803 -6.467 4.302 -1.766 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.362 5.241 -1.304 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.904 3.184 -2.631 1.00 0.00 C ATOM 0 H VAL A 803 -8.868 2.932 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.501 3.272 0.134 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.171 4.872 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.840 5.643 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.796 6.060 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.657 4.694 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.378 3.613 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.211 2.583 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.719 2.554 -2.987 1.00 0.00 H new ATOM 977 N ILE A 804 -7.344 5.321 1.253 1.00 0.00 N ATOM 978 CA ILE A 804 -7.898 6.428 2.022 1.00 0.00 C ATOM 979 C ILE A 804 -7.058 7.681 1.809 1.00 0.00 C ATOM 980 O ILE A 804 -7.559 8.802 1.897 1.00 0.00 O ATOM 981 CB ILE A 804 -7.971 6.122 3.540 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.285 4.793 3.872 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.418 6.111 4.004 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.387 4.405 5.332 1.00 0.00 C ATOM 0 H ILE A 804 -6.477 4.940 1.631 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.916 6.583 1.663 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.439 6.910 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.727 4.004 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.233 4.858 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.456 5.895 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.868 7.085 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.969 5.345 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.879 3.454 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.919 5.174 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.436 4.307 5.610 1.00 0.00 H new ATOM 996 N ALA A 805 -5.775 7.476 1.520 1.00 0.00 N ATOM 997 CA ALA A 805 -4.858 8.578 1.284 1.00 0.00 C ATOM 998 C ALA A 805 -4.970 9.071 -0.159 1.00 0.00 C ATOM 999 O ALA A 805 -4.765 8.306 -1.100 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.429 8.145 1.586 1.00 0.00 C ATOM 0 H ALA A 805 -5.350 6.552 1.444 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.124 9.399 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.750 8.979 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.355 7.836 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.158 7.310 0.940 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.299 10.360 -0.354 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.437 10.944 -1.693 1.00 0.00 C ATOM 1008 C PRO A 806 -4.125 10.932 -2.467 1.00 0.00 C ATOM 1009 O PRO A 806 -3.053 10.749 -1.890 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.885 12.383 -1.420 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.446 12.658 -0.025 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.561 11.349 0.703 1.00 0.00 C ATOM 0 HA PRO A 806 -6.138 10.380 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.429 13.080 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -6.965 12.488 -1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.421 13.029 -0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.072 13.420 0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.838 11.274 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.549 11.217 1.143 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.221 11.124 -3.777 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.044 11.132 -4.637 1.00 0.00 C ATOM 1022 C ALA A 807 -2.773 12.529 -5.190 1.00 0.00 C ATOM 1023 O ALA A 807 -3.590 13.436 -5.036 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.218 10.135 -5.775 1.00 0.00 C ATOM 0 H ALA A 807 -5.102 11.276 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.184 10.837 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.333 10.150 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -3.353 9.134 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.093 10.406 -6.366 1.00 0.00 H new