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= -1.28 USER MOD Single : A 758 THR OG1 : rot -99:sc= -0.597 USER MOD Single : A 760 SER OG : rot 171:sc= -1.54 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= -0.214 F(o=-1.8,f=-0.21) 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 X(o=0,f=-0.013) USER MOD Single : A 782 MET CE :methyl 170:sc= -7.73! (180deg=-8.23!) USER MOD Single : A 786 MET CE :methyl 161:sc= -5.3! (180deg=-6.14!) USER MOD Single : A 788 MET CE :methyl 165:sc= -0.219 (180deg=-0.818) USER MOD Single : A 793 THR OG1 : rot 168:sc= -1.34 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.134 K(o=-0.13,f=-2!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.508 -0.506 7.278 1.00 0.00 N ATOM 37 CA GLY A 743 7.121 -0.393 6.869 1.00 0.00 C ATOM 38 C GLY A 743 6.209 0.022 8.007 1.00 0.00 C ATOM 39 O GLY A 743 5.385 -0.767 8.470 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.042 0.335 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.785 -1.350 6.469 1.00 0.00 H new ATOM 43 N SER A 744 6.354 1.264 8.456 1.00 0.00 N ATOM 44 CA SER A 744 5.534 1.785 9.544 1.00 0.00 C ATOM 45 C SER A 744 4.857 3.085 9.128 1.00 0.00 C ATOM 46 O SER A 744 3.643 3.240 9.259 1.00 0.00 O ATOM 47 CB SER A 744 6.387 2.014 10.794 1.00 0.00 C ATOM 48 OG SER A 744 7.406 1.034 10.903 1.00 0.00 O ATOM 0 H SER A 744 7.032 1.929 8.083 1.00 0.00 H new ATOM 0 HA SER A 744 4.764 1.049 9.775 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.835 3.007 10.755 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.754 1.985 11.681 1.00 0.00 H new ATOM 0 HG SER A 744 7.938 1.203 11.708 1.00 0.00 H new ATOM 54 N GLU A 745 5.658 4.009 8.616 1.00 0.00 N ATOM 55 CA GLU A 745 5.154 5.298 8.161 1.00 0.00 C ATOM 56 C GLU A 745 6.079 5.888 7.107 1.00 0.00 C ATOM 57 O GLU A 745 5.641 6.275 6.024 1.00 0.00 O ATOM 58 CB GLU A 745 5.007 6.270 9.332 1.00 0.00 C ATOM 59 CG GLU A 745 4.190 7.504 8.987 1.00 0.00 C ATOM 60 CD GLU A 745 2.970 7.666 9.873 1.00 0.00 C ATOM 61 OE1 GLU A 745 3.130 7.652 11.112 1.00 0.00 O ATOM 62 OE2 GLU A 745 1.855 7.809 9.329 1.00 0.00 O ATOM 0 H GLU A 745 6.665 3.889 8.505 1.00 0.00 H new ATOM 0 HA GLU A 745 4.170 5.139 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.536 5.753 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 745 5.998 6.580 9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.820 8.389 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.872 7.445 7.946 1.00 0.00 H new ATOM 69 N ASP A 746 7.366 5.938 7.429 1.00 0.00 N ATOM 70 CA ASP A 746 8.360 6.465 6.504 1.00 0.00 C ATOM 71 C ASP A 746 9.465 5.442 6.268 1.00 0.00 C ATOM 72 O ASP A 746 10.424 5.353 7.034 1.00 0.00 O ATOM 73 CB ASP A 746 8.956 7.764 7.048 1.00 0.00 C ATOM 74 CG ASP A 746 8.051 8.958 6.812 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.521 9.089 5.689 1.00 0.00 O ATOM 76 OD2 ASP A 746 7.871 9.762 7.752 1.00 0.00 O ATOM 0 H ASP A 746 7.744 5.621 8.321 1.00 0.00 H new ATOM 0 HA ASP A 746 7.869 6.674 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.140 7.657 8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 746 9.921 7.944 6.575 1.00 0.00 H new ATOM 81 N ASP A 747 9.319 4.677 5.193 1.00 0.00 N ATOM 82 CA ASP A 747 10.295 3.656 4.830 1.00 0.00 C ATOM 83 C ASP A 747 10.832 3.909 3.424 1.00 0.00 C ATOM 84 O ASP A 747 10.084 4.319 2.537 1.00 0.00 O ATOM 85 CB ASP A 747 9.657 2.267 4.902 1.00 0.00 C ATOM 86 CG ASP A 747 10.661 1.152 4.692 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.159 1.009 3.555 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.950 0.421 5.663 1.00 0.00 O ATOM 0 H ASP A 747 8.528 4.745 4.553 1.00 0.00 H new ATOM 0 HA ASP A 747 11.124 3.703 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.178 2.141 5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.873 2.192 4.148 1.00 0.00 H new ATOM 93 N PRO A 748 12.136 3.661 3.198 1.00 0.00 N ATOM 94 CA PRO A 748 12.773 3.856 1.893 1.00 0.00 C ATOM 95 C PRO A 748 11.871 3.510 0.713 1.00 0.00 C ATOM 96 O PRO A 748 12.010 4.082 -0.368 1.00 0.00 O ATOM 97 CB PRO A 748 13.953 2.892 1.963 1.00 0.00 C ATOM 98 CG PRO A 748 14.362 2.915 3.397 1.00 0.00 C ATOM 99 CD PRO A 748 13.106 3.164 4.198 1.00 0.00 C ATOM 0 HA PRO A 748 13.039 4.899 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.667 1.889 1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.767 3.211 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.824 1.970 3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.099 3.698 3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.752 2.252 4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.275 3.896 4.988 1.00 0.00 H new ATOM 107 N LEU A 749 10.955 2.565 0.910 1.00 0.00 N ATOM 108 CA LEU A 749 10.060 2.159 -0.165 1.00 0.00 C ATOM 109 C LEU A 749 8.585 2.379 0.181 1.00 0.00 C ATOM 110 O LEU A 749 7.740 2.402 -0.715 1.00 0.00 O ATOM 111 CB LEU A 749 10.309 0.689 -0.503 1.00 0.00 C ATOM 112 CG LEU A 749 11.687 0.395 -1.100 1.00 0.00 C ATOM 113 CD1 LEU A 749 12.021 -1.084 -0.984 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.741 0.846 -2.550 1.00 0.00 C ATOM 0 H LEU A 749 10.815 2.073 1.792 1.00 0.00 H new ATOM 0 HA LEU A 749 10.277 2.786 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.187 0.096 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.545 0.357 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 749 12.433 0.954 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 749 13.005 -1.270 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 749 12.024 -1.375 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.274 -1.669 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.727 0.631 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.984 0.314 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.551 1.918 -2.605 1.00 0.00 H new ATOM 126 N TYR A 750 8.265 2.557 1.465 1.00 0.00 N ATOM 127 CA TYR A 750 6.870 2.774 1.859 1.00 0.00 C ATOM 128 C TYR A 750 6.284 3.945 1.095 1.00 0.00 C ATOM 129 O TYR A 750 5.196 3.848 0.546 1.00 0.00 O ATOM 130 CB TYR A 750 6.733 3.020 3.361 1.00 0.00 C ATOM 131 CG TYR A 750 5.318 3.359 3.795 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.412 2.357 4.122 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.892 4.679 3.889 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.128 2.657 4.533 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.608 4.988 4.300 1.00 0.00 C ATOM 136 CZ TYR A 750 2.732 3.974 4.624 1.00 0.00 C ATOM 137 OH TYR A 750 1.454 4.277 5.032 1.00 0.00 O ATOM 0 H TYR A 750 8.935 2.556 2.234 1.00 0.00 H new ATOM 0 HA TYR A 750 6.320 1.865 1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.066 2.132 3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.398 3.834 3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.718 1.324 4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.575 5.477 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.438 1.864 4.782 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.293 6.019 4.367 1.00 0.00 H new ATOM 0 HH TYR A 750 1.432 5.190 5.387 1.00 0.00 H new ATOM 147 N ASP A 751 7.013 5.051 1.051 1.00 0.00 N ATOM 148 CA ASP A 751 6.547 6.224 0.329 1.00 0.00 C ATOM 149 C ASP A 751 6.186 5.836 -1.100 1.00 0.00 C ATOM 150 O ASP A 751 5.215 6.334 -1.668 1.00 0.00 O ATOM 151 CB ASP A 751 7.623 7.312 0.326 1.00 0.00 C ATOM 152 CG ASP A 751 7.144 8.599 -0.316 1.00 0.00 C ATOM 153 OD1 ASP A 751 7.268 8.728 -1.552 1.00 0.00 O ATOM 154 OD2 ASP A 751 6.647 9.479 0.417 1.00 0.00 O ATOM 0 H ASP A 751 7.921 5.160 1.502 1.00 0.00 H new ATOM 0 HA ASP A 751 5.662 6.618 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.933 7.515 1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.501 6.949 -0.207 1.00 0.00 H new ATOM 159 N GLU A 752 6.968 4.917 -1.663 1.00 0.00 N ATOM 160 CA GLU A 752 6.727 4.433 -3.014 1.00 0.00 C ATOM 161 C GLU A 752 5.477 3.563 -3.050 1.00 0.00 C ATOM 162 O GLU A 752 4.645 3.686 -3.948 1.00 0.00 O ATOM 163 CB GLU A 752 7.941 3.652 -3.517 1.00 0.00 C ATOM 164 CG GLU A 752 7.867 3.288 -4.992 1.00 0.00 C ATOM 165 CD GLU A 752 8.109 4.478 -5.899 1.00 0.00 C ATOM 166 OE1 GLU A 752 7.348 5.464 -5.798 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.058 4.425 -6.708 1.00 0.00 O ATOM 0 H GLU A 752 7.774 4.495 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 752 6.568 5.288 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.840 4.243 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 752 8.042 2.738 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.604 2.515 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 752 6.887 2.864 -5.209 1.00 0.00 H new ATOM 174 N ALA A 753 5.347 2.691 -2.054 1.00 0.00 N ATOM 175 CA ALA A 753 4.190 1.806 -1.954 1.00 0.00 C ATOM 176 C ALA A 753 2.917 2.625 -1.810 1.00 0.00 C ATOM 177 O ALA A 753 1.961 2.451 -2.564 1.00 0.00 O ATOM 178 CB ALA A 753 4.349 0.856 -0.777 1.00 0.00 C ATOM 0 H ALA A 753 6.029 2.578 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 753 4.122 1.213 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.478 0.203 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.246 0.253 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.437 1.431 0.145 1.00 0.00 H new ATOM 184 N VAL A 754 2.924 3.532 -0.840 1.00 0.00 N ATOM 185 CA VAL A 754 1.789 4.403 -0.590 1.00 0.00 C ATOM 186 C VAL A 754 1.437 5.174 -1.856 1.00 0.00 C ATOM 187 O VAL A 754 0.264 5.339 -2.188 1.00 0.00 O ATOM 188 CB VAL A 754 2.109 5.371 0.569 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.248 6.622 0.528 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.942 4.652 1.892 1.00 0.00 C ATOM 0 H VAL A 754 3.712 3.681 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 754 0.929 3.798 -0.304 1.00 0.00 H new ATOM 0 HB VAL A 754 3.143 5.696 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.510 7.272 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.418 7.150 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.197 6.343 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.168 5.337 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.915 4.300 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.622 3.801 1.932 1.00 0.00 H new ATOM 200 N ARG A 755 2.462 5.615 -2.575 1.00 0.00 N ATOM 201 CA ARG A 755 2.258 6.332 -3.823 1.00 0.00 C ATOM 202 C ARG A 755 1.681 5.385 -4.866 1.00 0.00 C ATOM 203 O ARG A 755 0.848 5.768 -5.690 1.00 0.00 O ATOM 204 CB ARG A 755 3.580 6.915 -4.326 1.00 0.00 C ATOM 205 CG ARG A 755 3.425 8.256 -5.022 1.00 0.00 C ATOM 206 CD ARG A 755 4.636 8.583 -5.882 1.00 0.00 C ATOM 207 NE ARG A 755 5.843 8.767 -5.078 1.00 0.00 N ATOM 208 CZ ARG A 755 6.840 9.587 -5.407 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.785 10.299 -6.527 1.00 0.00 N ATOM 210 NH2 ARG A 755 7.897 9.692 -4.614 1.00 0.00 N ATOM 0 H ARG A 755 3.440 5.488 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 755 1.560 7.151 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.262 7.029 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.041 6.208 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 755 2.530 8.243 -5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 755 3.285 9.039 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 755 4.798 7.780 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 755 4.440 9.489 -6.455 1.00 0.00 H new ATOM 0 HE ARG A 755 5.927 8.235 -4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 755 5.975 10.220 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.552 10.925 -6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 755 7.946 9.146 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 755 8.662 10.319 -4.864 1.00 0.00 H new ATOM 224 N PHE A 756 2.137 4.137 -4.810 1.00 0.00 N ATOM 225 CA PHE A 756 1.690 3.106 -5.734 1.00 0.00 C ATOM 226 C PHE A 756 0.213 2.775 -5.516 1.00 0.00 C ATOM 227 O PHE A 756 -0.557 2.682 -6.471 1.00 0.00 O ATOM 228 CB PHE A 756 2.550 1.847 -5.553 1.00 0.00 C ATOM 229 CG PHE A 756 1.863 0.575 -5.955 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.865 0.157 -7.274 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.210 -0.196 -5.011 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.229 -1.011 -7.645 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.571 -1.364 -5.374 1.00 0.00 C ATOM 234 CZ PHE A 756 0.579 -1.772 -6.693 1.00 0.00 C ATOM 0 H PHE A 756 2.822 3.816 -4.126 1.00 0.00 H new ATOM 0 HA PHE A 756 1.802 3.479 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.463 1.956 -6.139 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.849 1.771 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.370 0.751 -8.022 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.200 0.119 -3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.240 -1.329 -8.677 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.065 -1.958 -4.627 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.078 -2.685 -6.980 1.00 0.00 H new ATOM 244 N VAL A 757 -0.177 2.598 -4.257 1.00 0.00 N ATOM 245 CA VAL A 757 -1.558 2.279 -3.929 1.00 0.00 C ATOM 246 C VAL A 757 -2.466 3.472 -4.194 1.00 0.00 C ATOM 247 O VAL A 757 -3.542 3.330 -4.775 1.00 0.00 O ATOM 248 CB VAL A 757 -1.695 1.844 -2.458 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.134 1.470 -2.140 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.757 0.684 -2.161 1.00 0.00 C ATOM 0 H VAL A 757 0.444 2.670 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.862 1.450 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.417 2.684 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.209 1.166 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.781 2.330 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.446 0.646 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.865 0.387 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -1.005 -0.159 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.272 0.992 -2.346 1.00 0.00 H new ATOM 260 N THR A 758 -2.022 4.650 -3.773 1.00 0.00 N ATOM 261 CA THR A 758 -2.788 5.872 -3.970 1.00 0.00 C ATOM 262 C THR A 758 -3.125 6.068 -5.447 1.00 0.00 C ATOM 263 O THR A 758 -4.251 6.417 -5.797 1.00 0.00 O ATOM 264 CB THR A 758 -2.003 7.077 -3.453 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.637 6.973 -3.809 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.077 7.242 -1.951 1.00 0.00 C ATOM 0 H THR A 758 -1.133 4.784 -3.292 1.00 0.00 H new ATOM 0 HA THR A 758 -3.719 5.784 -3.410 1.00 0.00 H new ATOM 0 HB THR A 758 -2.468 7.946 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.126 6.625 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.498 8.116 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.116 7.375 -1.650 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.670 6.354 -1.467 1.00 0.00 H new ATOM 274 N GLU A 759 -2.136 5.842 -6.308 1.00 0.00 N ATOM 275 CA GLU A 759 -2.324 5.996 -7.746 1.00 0.00 C ATOM 276 C GLU A 759 -3.046 4.789 -8.343 1.00 0.00 C ATOM 277 O GLU A 759 -3.785 4.918 -9.319 1.00 0.00 O ATOM 278 CB GLU A 759 -0.974 6.191 -8.438 1.00 0.00 C ATOM 279 CG GLU A 759 -1.064 6.961 -9.745 1.00 0.00 C ATOM 280 CD GLU A 759 0.267 7.039 -10.467 1.00 0.00 C ATOM 281 OE1 GLU A 759 0.967 6.008 -10.533 1.00 0.00 O ATOM 282 OE2 GLU A 759 0.608 8.132 -10.966 1.00 0.00 O ATOM 0 H GLU A 759 -1.197 5.552 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.943 6.878 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.301 6.718 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.530 5.214 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.798 6.484 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -1.424 7.970 -9.544 1.00 0.00 H new ATOM 289 N SER A 760 -2.822 3.616 -7.757 1.00 0.00 N ATOM 290 CA SER A 760 -3.447 2.387 -8.240 1.00 0.00 C ATOM 291 C SER A 760 -4.882 2.248 -7.730 1.00 0.00 C ATOM 292 O SER A 760 -5.650 1.429 -8.237 1.00 0.00 O ATOM 293 CB SER A 760 -2.624 1.171 -7.812 1.00 0.00 C ATOM 294 OG SER A 760 -2.876 0.833 -6.459 1.00 0.00 O ATOM 0 H SER A 760 -2.213 3.490 -6.948 1.00 0.00 H new ATOM 0 HA SER A 760 -3.479 2.439 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.864 0.322 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.563 1.381 -7.946 1.00 0.00 H new ATOM 0 HG SER A 760 -2.453 -0.027 -6.252 1.00 0.00 H new ATOM 300 N ARG A 761 -5.239 3.046 -6.727 1.00 0.00 N ATOM 301 CA ARG A 761 -6.582 3.005 -6.154 1.00 0.00 C ATOM 302 C ARG A 761 -6.879 1.646 -5.518 1.00 0.00 C ATOM 303 O ARG A 761 -8.034 1.320 -5.246 1.00 0.00 O ATOM 304 CB ARG A 761 -7.629 3.318 -7.226 1.00 0.00 C ATOM 305 CG ARG A 761 -7.702 4.791 -7.596 1.00 0.00 C ATOM 306 CD ARG A 761 -8.327 5.620 -6.483 1.00 0.00 C ATOM 307 NE ARG A 761 -9.554 6.284 -6.919 1.00 0.00 N ATOM 308 CZ ARG A 761 -10.095 7.326 -6.290 1.00 0.00 C ATOM 309 NH1 ARG A 761 -9.523 7.824 -5.202 1.00 0.00 N ATOM 310 NH2 ARG A 761 -11.213 7.870 -6.753 1.00 0.00 N ATOM 0 H ARG A 761 -4.617 3.729 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.630 3.763 -5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.404 2.738 -8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.607 2.992 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.700 5.163 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.286 4.909 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.546 4.977 -5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -7.611 6.368 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 761 -10.023 5.929 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.664 7.409 -4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -9.942 8.622 -4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -11.657 7.490 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -11.629 8.668 -6.273 1.00 0.00 H new ATOM 324 N ARG A 762 -5.832 0.859 -5.277 1.00 0.00 N ATOM 325 CA ARG A 762 -5.987 -0.458 -4.670 1.00 0.00 C ATOM 326 C ARG A 762 -4.734 -0.844 -3.889 1.00 0.00 C ATOM 327 O ARG A 762 -3.615 -0.540 -4.305 1.00 0.00 O ATOM 328 CB ARG A 762 -6.281 -1.504 -5.745 1.00 0.00 C ATOM 329 CG ARG A 762 -5.121 -1.747 -6.696 1.00 0.00 C ATOM 330 CD ARG A 762 -5.607 -2.009 -8.113 1.00 0.00 C ATOM 331 NE ARG A 762 -4.972 -1.121 -9.083 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.923 -1.366 -10.390 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.481 -2.462 -10.888 1.00 0.00 N ATOM 334 NH2 ARG A 762 -4.317 -0.511 -11.202 1.00 0.00 N ATOM 0 H ARG A 762 -4.868 1.112 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.826 -0.419 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.546 -2.444 -5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -7.150 -1.186 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.458 -0.882 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.536 -2.598 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.401 -3.045 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.688 -1.878 -8.155 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.541 -0.263 -8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -5.951 -3.122 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.440 -2.645 -11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -3.888 0.334 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -4.279 -0.699 -12.204 1.00 0.00 H new ATOM 348 N ALA A 763 -4.926 -1.505 -2.751 1.00 0.00 N ATOM 349 CA ALA A 763 -3.810 -1.916 -1.913 1.00 0.00 C ATOM 350 C ALA A 763 -3.603 -3.427 -1.944 1.00 0.00 C ATOM 351 O ALA A 763 -4.154 -4.156 -1.120 1.00 0.00 O ATOM 352 CB ALA A 763 -4.035 -1.449 -0.484 1.00 0.00 C ATOM 0 H ALA A 763 -5.844 -1.766 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.908 -1.452 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.195 -1.761 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.117 -0.362 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.955 -1.889 -0.098 1.00 0.00 H new ATOM 358 N SER A 764 -2.785 -3.886 -2.883 1.00 0.00 N ATOM 359 CA SER A 764 -2.478 -5.306 -3.003 1.00 0.00 C ATOM 360 C SER A 764 -0.980 -5.515 -2.860 1.00 0.00 C ATOM 361 O SER A 764 -0.195 -4.995 -3.648 1.00 0.00 O ATOM 362 CB SER A 764 -2.961 -5.848 -4.351 1.00 0.00 C ATOM 363 OG SER A 764 -4.365 -5.713 -4.481 1.00 0.00 O ATOM 0 H SER A 764 -2.322 -3.295 -3.573 1.00 0.00 H new ATOM 0 HA SER A 764 -2.995 -5.848 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.465 -5.313 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.683 -6.898 -4.445 1.00 0.00 H new ATOM 0 HG SER A 764 -4.648 -6.065 -5.351 1.00 0.00 H new ATOM 369 N ILE A 765 -0.588 -6.267 -1.842 1.00 0.00 N ATOM 370 CA ILE A 765 0.824 -6.524 -1.587 1.00 0.00 C ATOM 371 C ILE A 765 1.522 -7.092 -2.816 1.00 0.00 C ATOM 372 O ILE A 765 2.583 -6.612 -3.214 1.00 0.00 O ATOM 373 CB ILE A 765 1.027 -7.483 -0.402 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.177 -7.050 0.796 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.497 -7.529 -0.026 1.00 0.00 C ATOM 376 CD1 ILE A 765 -0.064 -8.159 1.798 1.00 0.00 C ATOM 0 H ILE A 765 -1.225 -6.710 -1.180 1.00 0.00 H new ATOM 0 HA ILE A 765 1.269 -5.560 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 765 0.706 -8.482 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.669 -6.218 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.784 -6.682 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.637 -8.210 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.080 -7.880 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.832 -6.531 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.673 -7.781 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.584 -8.983 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 765 0.891 -8.512 2.187 1.00 0.00 H new ATOM 388 N SER A 766 0.921 -8.111 -3.421 1.00 0.00 N ATOM 389 CA SER A 766 1.493 -8.731 -4.611 1.00 0.00 C ATOM 390 C SER A 766 1.742 -7.682 -5.688 1.00 0.00 C ATOM 391 O SER A 766 2.782 -7.680 -6.350 1.00 0.00 O ATOM 392 CB SER A 766 0.561 -9.821 -5.143 1.00 0.00 C ATOM 393 OG SER A 766 0.984 -10.279 -6.416 1.00 0.00 O ATOM 0 H SER A 766 0.042 -8.524 -3.109 1.00 0.00 H new ATOM 0 HA SER A 766 2.445 -9.186 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.536 -10.656 -4.443 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.455 -9.433 -5.212 1.00 0.00 H new ATOM 0 HG SER A 766 0.372 -10.976 -6.733 1.00 0.00 H new ATOM 399 N ALA A 767 0.781 -6.783 -5.847 1.00 0.00 N ATOM 400 CA ALA A 767 0.888 -5.717 -6.830 1.00 0.00 C ATOM 401 C ALA A 767 1.950 -4.709 -6.413 1.00 0.00 C ATOM 402 O ALA A 767 2.723 -4.230 -7.243 1.00 0.00 O ATOM 403 CB ALA A 767 -0.459 -5.038 -7.021 1.00 0.00 C ATOM 0 H ALA A 767 -0.083 -6.772 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 767 1.191 -6.151 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.364 -4.242 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.189 -5.769 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.791 -4.615 -6.073 1.00 0.00 H new ATOM 409 N VAL A 768 1.996 -4.399 -5.120 1.00 0.00 N ATOM 410 CA VAL A 768 2.983 -3.460 -4.607 1.00 0.00 C ATOM 411 C VAL A 768 4.386 -3.989 -4.849 1.00 0.00 C ATOM 412 O VAL A 768 5.256 -3.261 -5.314 1.00 0.00 O ATOM 413 CB VAL A 768 2.821 -3.189 -3.096 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.789 -2.110 -2.643 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.400 -2.784 -2.762 1.00 0.00 C ATOM 0 H VAL A 768 1.366 -4.782 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 768 2.822 -2.524 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 768 3.047 -4.114 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.661 -1.932 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.812 -2.434 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.590 -1.189 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.316 -2.600 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.143 -1.876 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.717 -3.584 -3.047 1.00 0.00 H new ATOM 425 N GLN A 769 4.603 -5.261 -4.531 1.00 0.00 N ATOM 426 CA GLN A 769 5.911 -5.864 -4.723 1.00 0.00 C ATOM 427 C GLN A 769 6.261 -5.924 -6.201 1.00 0.00 C ATOM 428 O GLN A 769 7.426 -5.783 -6.580 1.00 0.00 O ATOM 429 CB GLN A 769 5.972 -7.261 -4.093 1.00 0.00 C ATOM 430 CG GLN A 769 5.128 -8.305 -4.809 1.00 0.00 C ATOM 431 CD GLN A 769 5.848 -9.631 -4.962 1.00 0.00 C ATOM 432 OE1 GLN A 769 6.045 -10.329 -3.850 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 6.223 -10.024 -6.066 1.00 0.00 N flip ATOM 0 H GLN A 769 3.896 -5.886 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 769 6.648 -5.238 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.009 -7.596 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.644 -7.194 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.202 -8.460 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.851 -7.930 -5.794 1.00 0.00 H new ATOM 0 HE21 GLN A 769 6.051 -9.456 -6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.706 -10.918 -6.152 1.00 0.00 H new ATOM 442 N ARG A 770 5.242 -6.127 -7.029 1.00 0.00 N ATOM 443 CA ARG A 770 5.424 -6.203 -8.470 1.00 0.00 C ATOM 444 C ARG A 770 5.760 -4.832 -9.056 1.00 0.00 C ATOM 445 O ARG A 770 6.619 -4.714 -9.929 1.00 0.00 O ATOM 446 CB ARG A 770 4.153 -6.755 -9.118 1.00 0.00 C ATOM 447 CG ARG A 770 4.262 -8.216 -9.518 1.00 0.00 C ATOM 448 CD ARG A 770 3.060 -8.662 -10.335 1.00 0.00 C ATOM 449 NE ARG A 770 2.810 -10.096 -10.205 1.00 0.00 N ATOM 450 CZ ARG A 770 1.883 -10.752 -10.898 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.116 -10.109 -11.769 1.00 0.00 N ATOM 452 NH2 ARG A 770 1.722 -12.056 -10.720 1.00 0.00 N ATOM 0 H ARG A 770 4.276 -6.242 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 770 6.260 -6.871 -8.679 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.321 -6.638 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.918 -6.161 -10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.173 -8.369 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.345 -8.834 -8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.177 -8.110 -10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.224 -8.416 -11.384 1.00 0.00 H new ATOM 0 HE ARG A 770 3.380 -10.625 -9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.235 -9.106 -11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.407 -10.618 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.309 -12.556 -10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.011 -12.559 -11.251 1.00 0.00 H new ATOM 466 N LYS A 771 5.066 -3.801 -8.581 1.00 0.00 N ATOM 467 CA LYS A 771 5.282 -2.441 -9.069 1.00 0.00 C ATOM 468 C LYS A 771 6.530 -1.805 -8.456 1.00 0.00 C ATOM 469 O LYS A 771 7.242 -1.052 -9.121 1.00 0.00 O ATOM 470 CB LYS A 771 4.055 -1.575 -8.775 1.00 0.00 C ATOM 471 CG LYS A 771 3.633 -0.705 -9.947 1.00 0.00 C ATOM 472 CD LYS A 771 4.097 0.728 -9.766 1.00 0.00 C ATOM 473 CE LYS A 771 3.082 1.716 -10.316 1.00 0.00 C ATOM 474 NZ LYS A 771 3.326 3.098 -9.821 1.00 0.00 N ATOM 0 H LYS A 771 4.350 -3.881 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 771 5.437 -2.500 -10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.223 -2.221 -8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.267 -0.937 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.047 -1.110 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.548 -0.728 -10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 771 4.263 0.927 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 771 5.053 0.868 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 771 3.122 1.709 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.078 1.401 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 2.612 3.741 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 3.263 3.111 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 4.274 3.409 -10.114 1.00 0.00 H new ATOM 488 N LEU A 772 6.791 -2.111 -7.190 1.00 0.00 N ATOM 489 CA LEU A 772 7.955 -1.564 -6.495 1.00 0.00 C ATOM 490 C LEU A 772 9.171 -2.473 -6.628 1.00 0.00 C ATOM 491 O LEU A 772 10.278 -2.093 -6.243 1.00 0.00 O ATOM 492 CB LEU A 772 7.644 -1.344 -5.010 1.00 0.00 C ATOM 493 CG LEU A 772 7.440 0.118 -4.595 1.00 0.00 C ATOM 494 CD1 LEU A 772 5.970 0.421 -4.355 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.250 0.430 -3.346 1.00 0.00 C ATOM 0 H LEU A 772 6.215 -2.733 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 772 8.188 -0.608 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.745 -1.906 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.459 -1.762 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 772 7.788 0.751 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.857 1.465 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.407 0.238 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.591 -0.222 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.096 1.471 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.928 -0.219 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.308 0.262 -3.547 1.00 0.00 H new ATOM 507 N LYS A 773 8.969 -3.678 -7.148 1.00 0.00 N ATOM 508 CA LYS A 773 10.064 -4.623 -7.293 1.00 0.00 C ATOM 509 C LYS A 773 10.665 -4.919 -5.924 1.00 0.00 C ATOM 510 O LYS A 773 11.883 -4.998 -5.765 1.00 0.00 O ATOM 511 CB LYS A 773 11.136 -4.066 -8.233 1.00 0.00 C ATOM 512 CG LYS A 773 10.674 -3.947 -9.675 1.00 0.00 C ATOM 513 CD LYS A 773 11.510 -2.940 -10.448 1.00 0.00 C ATOM 514 CE LYS A 773 12.809 -3.558 -10.944 1.00 0.00 C ATOM 515 NZ LYS A 773 13.074 -3.228 -12.373 1.00 0.00 N ATOM 0 H LYS A 773 8.065 -4.020 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 773 9.679 -5.547 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.446 -3.084 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.014 -4.711 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.737 -4.921 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.627 -3.646 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 773 10.937 -2.565 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.733 -2.085 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.637 -3.203 -10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.765 -4.640 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.968 -3.668 -12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 12.297 -3.589 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 13.142 -2.196 -12.484 1.00 0.00 H new ATOM 529 N ILE A 774 9.787 -5.077 -4.936 1.00 0.00 N ATOM 530 CA ILE A 774 10.212 -5.360 -3.570 1.00 0.00 C ATOM 531 C ILE A 774 9.807 -6.776 -3.171 1.00 0.00 C ATOM 532 O ILE A 774 9.300 -7.538 -3.994 1.00 0.00 O ATOM 533 CB ILE A 774 9.600 -4.360 -2.560 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.082 -4.310 -2.714 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.199 -2.978 -2.749 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.391 -3.360 -1.755 1.00 0.00 C ATOM 0 H ILE A 774 8.776 -5.013 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 774 11.297 -5.260 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 774 9.835 -4.701 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.841 -4.016 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.680 -5.312 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.757 -2.288 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.277 -3.024 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.994 -2.628 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.315 -3.384 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.598 -3.664 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.762 -2.348 -1.915 1.00 0.00 H new ATOM 548 N GLY A 775 10.025 -7.120 -1.909 1.00 0.00 N ATOM 549 CA GLY A 775 9.667 -8.443 -1.433 1.00 0.00 C ATOM 550 C GLY A 775 8.241 -8.497 -0.925 1.00 0.00 C ATOM 551 O GLY A 775 7.712 -7.494 -0.452 1.00 0.00 O ATOM 0 H GLY A 775 10.442 -6.509 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.792 -9.165 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.348 -8.737 -0.634 1.00 0.00 H new ATOM 555 N TYR A 776 7.613 -9.663 -1.025 1.00 0.00 N ATOM 556 CA TYR A 776 6.236 -9.824 -0.566 1.00 0.00 C ATOM 557 C TYR A 776 6.099 -9.397 0.891 1.00 0.00 C ATOM 558 O TYR A 776 5.172 -8.673 1.254 1.00 0.00 O ATOM 559 CB TYR A 776 5.780 -11.275 -0.729 1.00 0.00 C ATOM 560 CG TYR A 776 4.367 -11.516 -0.248 1.00 0.00 C ATOM 561 CD1 TYR A 776 4.090 -11.652 1.105 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.313 -11.602 -1.148 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.800 -11.870 1.550 1.00 0.00 C ATOM 564 CE2 TYR A 776 2.019 -11.817 -0.710 1.00 0.00 C ATOM 565 CZ TYR A 776 1.769 -11.950 0.639 1.00 0.00 C ATOM 566 OH TYR A 776 0.481 -12.166 1.078 1.00 0.00 O ATOM 0 H TYR A 776 8.031 -10.507 -1.417 1.00 0.00 H new ATOM 0 HA TYR A 776 5.600 -9.185 -1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.851 -11.555 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.460 -11.926 -0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.895 -11.586 1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.507 -11.499 -2.206 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.601 -11.977 2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 776 1.209 -11.880 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.126 -12.195 0.309 1.00 0.00 H new ATOM 576 N ASN A 777 7.033 -9.847 1.720 1.00 0.00 N ATOM 577 CA ASN A 777 7.027 -9.512 3.137 1.00 0.00 C ATOM 578 C ASN A 777 7.194 -8.010 3.338 1.00 0.00 C ATOM 579 O ASN A 777 6.480 -7.397 4.133 1.00 0.00 O ATOM 580 CB ASN A 777 8.144 -10.261 3.867 1.00 0.00 C ATOM 581 CG ASN A 777 7.635 -11.486 4.602 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.839 -11.379 5.533 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.096 -12.660 4.185 1.00 0.00 N ATOM 0 H ASN A 777 7.806 -10.447 1.433 1.00 0.00 H new ATOM 0 HA ASN A 777 6.066 -9.815 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.906 -10.563 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.625 -9.588 4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 777 7.790 -13.519 4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 777 8.756 -12.702 3.408 1.00 0.00 H new ATOM 590 N ARG A 778 8.140 -7.422 2.612 1.00 0.00 N ATOM 591 CA ARG A 778 8.399 -5.993 2.714 1.00 0.00 C ATOM 592 C ARG A 778 7.174 -5.190 2.290 1.00 0.00 C ATOM 593 O ARG A 778 6.724 -4.298 3.011 1.00 0.00 O ATOM 594 CB ARG A 778 9.608 -5.628 1.850 1.00 0.00 C ATOM 595 CG ARG A 778 9.797 -4.136 1.652 1.00 0.00 C ATOM 596 CD ARG A 778 10.952 -3.846 0.712 1.00 0.00 C ATOM 597 NE ARG A 778 11.920 -2.919 1.302 1.00 0.00 N ATOM 598 CZ ARG A 778 13.083 -3.293 1.833 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.430 -4.574 1.870 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.902 -2.379 2.335 1.00 0.00 N ATOM 0 H ARG A 778 8.738 -7.914 1.948 1.00 0.00 H new ATOM 0 HA ARG A 778 8.617 -5.747 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.507 -6.040 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.501 -6.103 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.881 -3.701 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.981 -3.660 2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.454 -4.779 0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.567 -3.425 -0.217 1.00 0.00 H new ATOM 0 HE ARG A 778 11.689 -1.925 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.804 -5.283 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.323 -4.849 2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.641 -1.393 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.793 -2.662 2.742 1.00 0.00 H new ATOM 614 N ALA A 779 6.631 -5.521 1.126 1.00 0.00 N ATOM 615 CA ALA A 779 5.449 -4.840 0.610 1.00 0.00 C ATOM 616 C ALA A 779 4.305 -4.927 1.614 1.00 0.00 C ATOM 617 O ALA A 779 3.697 -3.917 1.970 1.00 0.00 O ATOM 618 CB ALA A 779 5.040 -5.435 -0.729 1.00 0.00 C ATOM 0 H ALA A 779 6.990 -6.258 0.520 1.00 0.00 H new ATOM 0 HA ALA A 779 5.689 -3.788 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.156 -4.917 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.856 -5.321 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.814 -6.494 -0.603 1.00 0.00 H new ATOM 624 N ALA A 780 4.027 -6.143 2.080 1.00 0.00 N ATOM 625 CA ALA A 780 2.971 -6.366 3.058 1.00 0.00 C ATOM 626 C ALA A 780 3.195 -5.510 4.300 1.00 0.00 C ATOM 627 O ALA A 780 2.249 -4.959 4.865 1.00 0.00 O ATOM 628 CB ALA A 780 2.905 -7.838 3.438 1.00 0.00 C ATOM 0 H ALA A 780 4.521 -6.988 1.794 1.00 0.00 H new ATOM 0 HA ALA A 780 2.021 -6.076 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 780 2.111 -7.990 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.698 -8.434 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.858 -8.146 3.868 1.00 0.00 H new ATOM 634 N ARG A 781 4.454 -5.389 4.712 1.00 0.00 N ATOM 635 CA ARG A 781 4.798 -4.584 5.879 1.00 0.00 C ATOM 636 C ARG A 781 4.350 -3.145 5.666 1.00 0.00 C ATOM 637 O ARG A 781 3.696 -2.552 6.525 1.00 0.00 O ATOM 638 CB ARG A 781 6.305 -4.635 6.138 1.00 0.00 C ATOM 639 CG ARG A 781 6.809 -6.013 6.529 1.00 0.00 C ATOM 640 CD ARG A 781 7.017 -6.128 8.030 1.00 0.00 C ATOM 641 NE ARG A 781 7.116 -7.519 8.464 1.00 0.00 N ATOM 642 CZ ARG A 781 8.163 -8.301 8.211 1.00 0.00 C ATOM 643 NH1 ARG A 781 9.202 -7.833 7.530 1.00 0.00 N ATOM 644 NH2 ARG A 781 8.171 -9.555 8.641 1.00 0.00 N ATOM 0 H ARG A 781 5.250 -5.836 4.257 1.00 0.00 H new ATOM 0 HA ARG A 781 4.284 -4.991 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.830 -4.306 5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.553 -3.928 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 781 6.095 -6.769 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 781 7.748 -6.217 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 781 7.925 -5.595 8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 781 6.189 -5.644 8.549 1.00 0.00 H new ATOM 0 HE ARG A 781 6.338 -7.914 8.992 1.00 0.00 H new ATOM 0 HH11 ARG A 781 9.201 -6.869 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 781 10.001 -8.438 7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 781 7.375 -9.920 9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 781 8.973 -10.155 8.448 1.00 0.00 H new ATOM 658 N MET A 782 4.686 -2.594 4.503 1.00 0.00 N ATOM 659 CA MET A 782 4.295 -1.233 4.166 1.00 0.00 C ATOM 660 C MET A 782 2.780 -1.147 4.093 1.00 0.00 C ATOM 661 O MET A 782 2.166 -0.227 4.630 1.00 0.00 O ATOM 662 CB MET A 782 4.902 -0.818 2.827 1.00 0.00 C ATOM 663 CG MET A 782 6.420 -0.799 2.832 1.00 0.00 C ATOM 664 SD MET A 782 7.127 -1.853 1.556 1.00 0.00 S ATOM 665 CE MET A 782 7.861 -0.631 0.481 1.00 0.00 C ATOM 0 H MET A 782 5.227 -3.070 3.781 1.00 0.00 H new ATOM 0 HA MET A 782 4.664 -0.557 4.938 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.557 -1.503 2.053 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.535 0.173 2.562 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.768 0.224 2.688 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.781 -1.124 3.808 1.00 0.00 H new ATOM 0 HE1 MET A 782 8.488 -1.128 -0.260 1.00 0.00 H new ATOM 0 HE2 MET A 782 7.074 -0.072 -0.026 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.470 0.054 1.071 1.00 0.00 H new ATOM 675 N ILE A 783 2.184 -2.137 3.441 1.00 0.00 N ATOM 676 CA ILE A 783 0.740 -2.207 3.307 1.00 0.00 C ATOM 677 C ILE A 783 0.095 -2.144 4.693 1.00 0.00 C ATOM 678 O ILE A 783 -0.856 -1.391 4.921 1.00 0.00 O ATOM 679 CB ILE A 783 0.333 -3.499 2.557 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.731 -3.397 1.078 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.154 -3.785 2.689 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.121 -2.429 0.276 1.00 0.00 C ATOM 0 H ILE A 783 2.685 -2.906 2.995 1.00 0.00 H new ATOM 0 HA ILE A 783 0.387 -1.358 2.722 1.00 0.00 H new ATOM 0 HB ILE A 783 0.866 -4.332 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.774 -3.087 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.664 -4.386 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.398 -4.700 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.409 -3.906 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.723 -2.954 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.222 -2.413 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.163 -2.749 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.035 -1.429 0.702 1.00 0.00 H new ATOM 694 N GLU A 784 0.653 -2.899 5.634 1.00 0.00 N ATOM 695 CA GLU A 784 0.164 -2.882 7.006 1.00 0.00 C ATOM 696 C GLU A 784 0.223 -1.454 7.528 1.00 0.00 C ATOM 697 O GLU A 784 -0.738 -0.930 8.104 1.00 0.00 O ATOM 698 CB GLU A 784 1.025 -3.795 7.881 1.00 0.00 C ATOM 699 CG GLU A 784 0.351 -4.214 9.176 1.00 0.00 C ATOM 700 CD GLU A 784 0.346 -3.110 10.215 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.443 -2.699 10.650 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.754 -2.656 10.594 1.00 0.00 O ATOM 0 H GLU A 784 1.440 -3.527 5.472 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.864 -3.244 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.286 -4.688 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.958 -3.283 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.675 -4.515 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.862 -5.087 9.581 1.00 0.00 H new ATOM 709 N ALA A 785 1.366 -0.823 7.281 1.00 0.00 N ATOM 710 CA ALA A 785 1.589 0.557 7.677 1.00 0.00 C ATOM 711 C ALA A 785 0.536 1.453 7.045 1.00 0.00 C ATOM 712 O ALA A 785 0.119 2.445 7.634 1.00 0.00 O ATOM 713 CB ALA A 785 2.984 1.011 7.272 1.00 0.00 C ATOM 0 H ALA A 785 2.158 -1.253 6.803 1.00 0.00 H new ATOM 0 HA ALA A 785 1.509 0.628 8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.132 2.047 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.728 0.380 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.093 0.932 6.190 1.00 0.00 H new ATOM 719 N MET A 786 0.108 1.092 5.837 1.00 0.00 N ATOM 720 CA MET A 786 -0.905 1.863 5.132 1.00 0.00 C ATOM 721 C MET A 786 -2.234 1.783 5.872 1.00 0.00 C ATOM 722 O MET A 786 -2.973 2.761 5.950 1.00 0.00 O ATOM 723 CB MET A 786 -1.067 1.369 3.693 1.00 0.00 C ATOM 724 CG MET A 786 -0.030 1.939 2.748 1.00 0.00 C ATOM 725 SD MET A 786 -0.320 1.494 1.026 1.00 0.00 S ATOM 726 CE MET A 786 1.154 0.543 0.668 1.00 0.00 C ATOM 0 H MET A 786 0.447 0.274 5.331 1.00 0.00 H new ATOM 0 HA MET A 786 -0.581 2.903 5.098 1.00 0.00 H new ATOM 0 HB2 MET A 786 -1.003 0.281 3.680 1.00 0.00 H new ATOM 0 HB3 MET A 786 -2.061 1.634 3.334 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.022 3.025 2.840 1.00 0.00 H new ATOM 0 HG3 MET A 786 0.957 1.587 3.047 1.00 0.00 H new ATOM 0 HE1 MET A 786 0.984 -0.074 -0.214 1.00 0.00 H new ATOM 0 HE2 MET A 786 1.988 1.220 0.482 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.389 -0.097 1.518 1.00 0.00 H new ATOM 736 N GLU A 787 -2.529 0.612 6.427 1.00 0.00 N ATOM 737 CA GLU A 787 -3.764 0.423 7.178 1.00 0.00 C ATOM 738 C GLU A 787 -3.783 1.319 8.408 1.00 0.00 C ATOM 739 O GLU A 787 -4.723 2.083 8.624 1.00 0.00 O ATOM 740 CB GLU A 787 -3.919 -1.036 7.605 1.00 0.00 C ATOM 741 CG GLU A 787 -4.947 -1.796 6.789 1.00 0.00 C ATOM 742 CD GLU A 787 -5.379 -3.088 7.452 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.564 -3.679 8.191 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.534 -3.511 7.230 1.00 0.00 O ATOM 0 H GLU A 787 -1.934 -0.215 6.372 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.597 0.691 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.955 -1.537 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.203 -1.071 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.820 -1.163 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.533 -2.018 5.805 1.00 0.00 H new ATOM 751 N MET A 788 -2.735 1.209 9.211 1.00 0.00 N ATOM 752 CA MET A 788 -2.614 1.998 10.431 1.00 0.00 C ATOM 753 C MET A 788 -2.440 3.483 10.118 1.00 0.00 C ATOM 754 O MET A 788 -2.966 4.345 10.822 1.00 0.00 O ATOM 755 CB MET A 788 -1.427 1.503 11.253 1.00 0.00 C ATOM 756 CG MET A 788 -1.699 0.207 11.998 1.00 0.00 C ATOM 757 SD MET A 788 -0.235 -0.437 12.831 1.00 0.00 S ATOM 758 CE MET A 788 0.315 1.014 13.728 1.00 0.00 C ATOM 0 H MET A 788 -1.952 0.578 9.040 1.00 0.00 H new ATOM 0 HA MET A 788 -3.534 1.877 11.003 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.573 1.359 10.591 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.147 2.273 11.972 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.486 0.374 12.733 1.00 0.00 H new ATOM 0 HG3 MET A 788 -2.071 -0.540 11.296 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.038 0.719 14.488 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.781 1.715 13.036 1.00 0.00 H new ATOM 0 HE3 MET A 788 -0.540 1.492 14.207 1.00 0.00 H new ATOM 768 N ALA A 789 -1.687 3.766 9.065 1.00 0.00 N ATOM 769 CA ALA A 789 -1.415 5.138 8.648 1.00 0.00 C ATOM 770 C ALA A 789 -2.648 5.808 8.051 1.00 0.00 C ATOM 771 O ALA A 789 -2.732 7.035 7.995 1.00 0.00 O ATOM 772 CB ALA A 789 -0.281 5.156 7.633 1.00 0.00 C ATOM 0 H ALA A 789 -1.249 3.057 8.477 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.128 5.700 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.084 6.183 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.617 4.733 8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.563 4.565 6.762 1.00 0.00 H new ATOM 778 N GLY A 790 -3.595 5.001 7.590 1.00 0.00 N ATOM 779 CA GLY A 790 -4.797 5.543 6.986 1.00 0.00 C ATOM 780 C GLY A 790 -4.633 5.754 5.491 1.00 0.00 C ATOM 781 O GLY A 790 -5.393 6.498 4.872 1.00 0.00 O ATOM 0 H GLY A 790 -3.553 3.982 7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.632 4.866 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.046 6.492 7.461 1.00 0.00 H new ATOM 785 N VAL A 791 -3.633 5.092 4.917 1.00 0.00 N ATOM 786 CA VAL A 791 -3.353 5.189 3.494 1.00 0.00 C ATOM 787 C VAL A 791 -4.235 4.237 2.703 1.00 0.00 C ATOM 788 O VAL A 791 -4.625 4.531 1.573 1.00 0.00 O ATOM 789 CB VAL A 791 -1.874 4.884 3.206 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.557 5.096 1.738 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.984 5.748 4.082 1.00 0.00 C ATOM 0 H VAL A 791 -2.998 4.476 5.425 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.570 6.211 3.183 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.681 3.837 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.505 4.874 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.177 4.434 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.761 6.132 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.062 5.525 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.180 6.800 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.194 5.540 5.131 1.00 0.00 H new ATOM 801 N VAL A 792 -4.569 3.103 3.311 1.00 0.00 N ATOM 802 CA VAL A 792 -5.431 2.125 2.661 1.00 0.00 C ATOM 803 C VAL A 792 -6.494 1.606 3.622 1.00 0.00 C ATOM 804 O VAL A 792 -6.231 1.405 4.807 1.00 0.00 O ATOM 805 CB VAL A 792 -4.633 0.940 2.076 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.494 1.443 1.211 1.00 0.00 C ATOM 807 CG2 VAL A 792 -4.099 0.028 3.172 1.00 0.00 C ATOM 0 H VAL A 792 -4.258 2.841 4.246 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.918 2.642 1.834 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.316 0.356 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.942 0.594 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.895 2.039 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.825 2.058 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.543 -0.794 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.440 0.596 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.932 -0.371 3.751 1.00 0.00 H new ATOM 817 N THR A 793 -7.697 1.391 3.103 1.00 0.00 N ATOM 818 CA THR A 793 -8.795 0.891 3.921 1.00 0.00 C ATOM 819 C THR A 793 -8.675 -0.623 4.077 1.00 0.00 C ATOM 820 O THR A 793 -7.995 -1.277 3.287 1.00 0.00 O ATOM 821 CB THR A 793 -10.155 1.253 3.303 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.584 0.248 2.402 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.162 2.571 2.553 1.00 0.00 C ATOM 0 H THR A 793 -7.936 1.554 2.125 1.00 0.00 H new ATOM 0 HA THR A 793 -8.735 1.362 4.902 1.00 0.00 H new ATOM 0 HB THR A 793 -10.830 1.342 4.155 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.524 0.397 2.169 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.157 2.754 2.147 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.894 3.379 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.440 2.529 1.738 1.00 0.00 H new ATOM 831 N PRO A 794 -9.333 -1.210 5.090 1.00 0.00 N ATOM 832 CA PRO A 794 -9.281 -2.657 5.316 1.00 0.00 C ATOM 833 C PRO A 794 -9.775 -3.440 4.106 1.00 0.00 C ATOM 834 O PRO A 794 -10.367 -2.875 3.187 1.00 0.00 O ATOM 835 CB PRO A 794 -10.208 -2.876 6.518 1.00 0.00 C ATOM 836 CG PRO A 794 -11.042 -1.645 6.594 1.00 0.00 C ATOM 837 CD PRO A 794 -10.175 -0.531 6.084 1.00 0.00 C ATOM 0 HA PRO A 794 -8.263 -3.006 5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.826 -3.763 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.637 -3.022 7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.944 -1.746 5.990 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.363 -1.453 7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.765 0.269 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.581 -0.083 6.880 1.00 0.00 H new ATOM 845 N MET A 795 -9.526 -4.743 4.112 1.00 0.00 N ATOM 846 CA MET A 795 -9.938 -5.606 3.017 1.00 0.00 C ATOM 847 C MET A 795 -11.451 -5.576 2.836 1.00 0.00 C ATOM 848 O MET A 795 -12.186 -5.144 3.723 1.00 0.00 O ATOM 849 CB MET A 795 -9.471 -7.036 3.275 1.00 0.00 C ATOM 850 CG MET A 795 -7.984 -7.147 3.576 1.00 0.00 C ATOM 851 SD MET A 795 -7.611 -8.459 4.755 1.00 0.00 S ATOM 852 CE MET A 795 -6.004 -8.994 4.169 1.00 0.00 C ATOM 0 H MET A 795 -9.039 -5.225 4.867 1.00 0.00 H new ATOM 0 HA MET A 795 -9.478 -5.237 2.100 1.00 0.00 H new ATOM 0 HB2 MET A 795 -10.034 -7.448 4.113 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.703 -7.648 2.403 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.442 -7.332 2.649 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.625 -6.196 3.970 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.639 -9.805 4.799 1.00 0.00 H new ATOM 0 HE2 MET A 795 -6.090 -9.344 3.140 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.305 -8.159 4.211 1.00 0.00 H new ATOM 862 N ASN A 796 -11.907 -6.039 1.679 1.00 0.00 N ATOM 863 CA ASN A 796 -13.334 -6.068 1.374 1.00 0.00 C ATOM 864 C ASN A 796 -13.888 -7.484 1.499 1.00 0.00 C ATOM 865 O ASN A 796 -13.145 -8.431 1.757 1.00 0.00 O ATOM 866 CB ASN A 796 -13.587 -5.532 -0.037 1.00 0.00 C ATOM 867 CG ASN A 796 -13.766 -4.033 -0.063 1.00 0.00 C ATOM 868 OD1 ASN A 796 -14.130 -3.418 0.938 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.509 -3.438 -1.218 1.00 0.00 N ATOM 0 H ASN A 796 -11.310 -6.400 0.935 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.847 -5.431 2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.752 -5.806 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.477 -6.008 -0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.611 -2.427 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.210 -3.991 -2.021 1.00 0.00 H new ATOM 876 N THR A 797 -15.197 -7.621 1.314 1.00 0.00 N ATOM 877 CA THR A 797 -15.849 -8.922 1.405 1.00 0.00 C ATOM 878 C THR A 797 -15.236 -9.907 0.414 1.00 0.00 C ATOM 879 O THR A 797 -15.193 -11.111 0.666 1.00 0.00 O ATOM 880 CB THR A 797 -17.350 -8.783 1.145 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.979 -10.053 1.156 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.670 -8.124 -0.179 1.00 0.00 C ATOM 0 H THR A 797 -15.827 -6.847 1.100 1.00 0.00 H new ATOM 0 HA THR A 797 -15.698 -9.308 2.413 1.00 0.00 H new ATOM 0 HB THR A 797 -17.725 -8.148 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.939 -9.944 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.751 -8.057 -0.300 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.239 -7.123 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.250 -8.717 -0.991 1.00 0.00 H new ATOM 890 N ASN A 798 -14.763 -9.385 -0.713 1.00 0.00 N ATOM 891 CA ASN A 798 -14.149 -10.218 -1.741 1.00 0.00 C ATOM 892 C ASN A 798 -12.659 -10.414 -1.473 1.00 0.00 C ATOM 893 O ASN A 798 -12.037 -11.325 -2.018 1.00 0.00 O ATOM 894 CB ASN A 798 -14.354 -9.593 -3.122 1.00 0.00 C ATOM 895 CG ASN A 798 -15.653 -10.021 -3.763 1.00 0.00 C ATOM 896 OD1 ASN A 798 -16.624 -10.344 -3.079 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.675 -10.023 -5.087 1.00 0.00 N ATOM 0 H ASN A 798 -14.793 -8.390 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.632 -11.195 -1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.338 -8.507 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.523 -9.872 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.522 -10.300 -5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -14.845 -9.747 -5.611 1.00 0.00 H new ATOM 904 N GLY A 799 -12.090 -9.558 -0.626 1.00 0.00 N ATOM 905 CA GLY A 799 -10.680 -9.663 -0.303 1.00 0.00 C ATOM 906 C GLY A 799 -9.835 -8.630 -1.023 1.00 0.00 C ATOM 907 O GLY A 799 -8.703 -8.912 -1.417 1.00 0.00 O ATOM 0 H GLY A 799 -12.581 -8.796 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.549 -9.548 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.326 -10.661 -0.562 1.00 0.00 H new ATOM 911 N SER A 800 -10.382 -7.431 -1.197 1.00 0.00 N ATOM 912 CA SER A 800 -9.664 -6.357 -1.876 1.00 0.00 C ATOM 913 C SER A 800 -9.650 -5.086 -1.033 1.00 0.00 C ATOM 914 O SER A 800 -10.690 -4.630 -0.558 1.00 0.00 O ATOM 915 CB SER A 800 -10.295 -6.068 -3.237 1.00 0.00 C ATOM 916 OG SER A 800 -10.439 -7.255 -3.997 1.00 0.00 O ATOM 0 H SER A 800 -11.318 -7.179 -0.878 1.00 0.00 H new ATOM 0 HA SER A 800 -8.635 -6.686 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.270 -5.602 -3.097 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.677 -5.356 -3.784 1.00 0.00 H new ATOM 0 HG SER A 800 -10.847 -7.042 -4.862 1.00 0.00 H new ATOM 922 N ARG A 801 -8.461 -4.519 -0.855 1.00 0.00 N ATOM 923 CA ARG A 801 -8.299 -3.300 -0.074 1.00 0.00 C ATOM 924 C ARG A 801 -8.620 -2.066 -0.907 1.00 0.00 C ATOM 925 O ARG A 801 -8.781 -2.144 -2.125 1.00 0.00 O ATOM 926 CB ARG A 801 -6.868 -3.193 0.452 1.00 0.00 C ATOM 927 CG ARG A 801 -6.675 -3.800 1.828 1.00 0.00 C ATOM 928 CD ARG A 801 -5.260 -4.329 2.005 1.00 0.00 C ATOM 929 NE ARG A 801 -4.344 -3.325 2.541 1.00 0.00 N ATOM 930 CZ ARG A 801 -3.928 -3.294 3.805 1.00 0.00 C ATOM 931 NH1 ARG A 801 -4.405 -4.154 4.696 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.032 -2.393 4.179 1.00 0.00 N ATOM 0 H ARG A 801 -7.593 -4.887 -1.243 1.00 0.00 H new ATOM 0 HA ARG A 801 -8.995 -3.349 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.195 -3.686 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.581 -2.142 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.883 -3.050 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.389 -4.610 1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.280 -5.190 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.885 -4.680 1.044 1.00 0.00 H new ATOM 0 HE ARG A 801 -4.002 -2.603 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -5.098 -4.848 4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -4.079 -4.121 5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -2.664 -1.727 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.710 -2.365 5.146 1.00 0.00 H new ATOM 946 N GLU A 802 -8.691 -0.926 -0.236 1.00 0.00 N ATOM 947 CA GLU A 802 -8.968 0.343 -0.893 1.00 0.00 C ATOM 948 C GLU A 802 -7.979 1.397 -0.409 1.00 0.00 C ATOM 949 O GLU A 802 -7.127 1.112 0.433 1.00 0.00 O ATOM 950 CB GLU A 802 -10.405 0.790 -0.618 1.00 0.00 C ATOM 951 CG GLU A 802 -11.337 0.591 -1.802 1.00 0.00 C ATOM 952 CD GLU A 802 -12.695 1.232 -1.589 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.324 0.958 -0.545 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.129 2.006 -2.467 1.00 0.00 O ATOM 0 H GLU A 802 -8.559 -0.854 0.773 1.00 0.00 H new ATOM 0 HA GLU A 802 -8.854 0.216 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.793 0.236 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.403 1.844 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -10.877 1.011 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.467 -0.476 -1.982 1.00 0.00 H new ATOM 961 N VAL A 803 -8.077 2.606 -0.945 1.00 0.00 N ATOM 962 CA VAL A 803 -7.167 3.672 -0.552 1.00 0.00 C ATOM 963 C VAL A 803 -7.891 4.825 0.129 1.00 0.00 C ATOM 964 O VAL A 803 -8.917 5.305 -0.353 1.00 0.00 O ATOM 965 CB VAL A 803 -6.386 4.225 -1.757 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.295 5.177 -1.287 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.800 3.089 -2.583 1.00 0.00 C ATOM 0 H VAL A 803 -8.769 2.871 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.472 3.222 0.157 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.074 4.782 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.750 5.561 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.746 6.007 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.606 4.645 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.252 3.501 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.123 2.501 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.605 2.451 -2.947 1.00 0.00 H new ATOM 977 N ILE A 804 -7.325 5.282 1.241 1.00 0.00 N ATOM 978 CA ILE A 804 -7.886 6.403 1.986 1.00 0.00 C ATOM 979 C ILE A 804 -7.051 7.653 1.742 1.00 0.00 C ATOM 980 O ILE A 804 -7.560 8.774 1.781 1.00 0.00 O ATOM 981 CB ILE A 804 -7.956 6.133 3.510 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.277 4.809 3.874 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.402 6.140 3.980 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.339 4.480 5.350 1.00 0.00 C ATOM 0 H ILE A 804 -6.475 4.891 1.647 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.906 6.543 1.627 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.417 6.932 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.747 4.003 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.233 4.849 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.437 5.949 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.848 7.112 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.959 5.364 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.838 3.529 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.843 5.266 5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.381 4.407 5.663 1.00 0.00 H new ATOM 996 N ALA A 805 -5.763 7.447 1.483 1.00 0.00 N ATOM 997 CA ALA A 805 -4.846 8.541 1.223 1.00 0.00 C ATOM 998 C ALA A 805 -4.987 9.025 -0.220 1.00 0.00 C ATOM 999 O ALA A 805 -4.837 8.243 -1.159 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.413 8.105 1.499 1.00 0.00 C ATOM 0 H ALA A 805 -5.333 6.523 1.449 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.093 9.367 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.735 8.935 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.319 7.802 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.157 7.265 0.853 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.274 10.321 -0.417 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.432 10.898 -1.756 1.00 0.00 C ATOM 1008 C PRO A 806 -4.147 10.823 -2.569 1.00 0.00 C ATOM 1009 O PRO A 806 -3.065 10.601 -2.024 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.810 12.357 -1.482 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.318 12.623 -0.104 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.466 11.326 0.638 1.00 0.00 C ATOM 0 HA PRO A 806 -6.176 10.360 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.346 13.028 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -6.887 12.507 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.279 12.951 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -5.896 13.415 0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.724 11.227 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.446 11.238 1.106 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.274 11.005 -3.877 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.125 10.954 -4.772 1.00 0.00 C ATOM 1022 C ALA A 807 -2.546 12.348 -5.003 1.00 0.00 C ATOM 1023 O ALA A 807 -3.184 13.354 -4.697 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.516 10.315 -6.095 1.00 0.00 C ATOM 0 H ALA A 807 -5.163 11.190 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.354 10.344 -4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.648 10.283 -6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -3.874 9.301 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.306 10.902 -6.563 1.00 0.00 H new