USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 750 TYR OH : rot 165:sc= -0.289 USER MOD Single : A 758 THR OG1 : rot -94:sc= -0.135 USER MOD Single : A 760 SER OG : rot -101:sc= -1.31! USER MOD Single : A 764 SER OG : rot 180:sc= -0.185 USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 769 GLN :FLIP amide:sc= -0.559 F(o=-2.3,f=-0.56) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.8) USER MOD Single : A 782 MET CE :methyl 176:sc= -2.9! (180deg=-2.98!) USER MOD Single : A 786 MET CE :methyl 168:sc= -6.22! (180deg=-6.52!) USER MOD Single : A 788 MET CE :methyl -170:sc=-0.00746 (180deg=-0.171) USER MOD Single : A 793 THR OG1 : rot 140:sc= -1.79! USER MOD Single : A 795 MET CE :methyl -138:sc= 0 (180deg=-0.132) USER MOD Single : A 796 ASN : amide:sc= -0.0833 K(o=-0.083,f=-1.6!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.111 K(o=-0.11,f=-1) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.440 -1.090 7.321 1.00 0.00 N ATOM 37 CA GLY A 743 7.183 -0.557 6.829 1.00 0.00 C ATOM 38 C GLY A 743 6.277 -0.075 7.946 1.00 0.00 C ATOM 39 O GLY A 743 5.391 -0.804 8.393 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.385 0.270 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.667 -1.326 6.254 1.00 0.00 H new ATOM 43 N SER A 744 6.493 1.158 8.392 1.00 0.00 N ATOM 44 CA SER A 744 5.686 1.740 9.458 1.00 0.00 C ATOM 45 C SER A 744 5.012 3.018 8.976 1.00 0.00 C ATOM 46 O SER A 744 3.786 3.104 8.908 1.00 0.00 O ATOM 47 CB SER A 744 6.551 2.035 10.684 1.00 0.00 C ATOM 48 OG SER A 744 7.418 0.951 10.970 1.00 0.00 O ATOM 0 H SER A 744 7.221 1.774 8.031 1.00 0.00 H new ATOM 0 HA SER A 744 4.917 1.020 9.737 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.137 2.937 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.912 2.231 11.545 1.00 0.00 H new ATOM 0 HG SER A 744 7.961 1.165 11.757 1.00 0.00 H new ATOM 54 N GLU A 745 5.830 3.999 8.629 1.00 0.00 N ATOM 55 CA GLU A 745 5.334 5.276 8.133 1.00 0.00 C ATOM 56 C GLU A 745 6.281 5.836 7.082 1.00 0.00 C ATOM 57 O GLU A 745 5.858 6.226 5.993 1.00 0.00 O ATOM 58 CB GLU A 745 5.170 6.278 9.275 1.00 0.00 C ATOM 59 CG GLU A 745 4.336 7.491 8.895 1.00 0.00 C ATOM 60 CD GLU A 745 4.996 8.800 9.283 1.00 0.00 C ATOM 61 OE1 GLU A 745 5.340 8.960 10.473 1.00 0.00 O ATOM 62 OE2 GLU A 745 5.170 9.662 8.397 1.00 0.00 O ATOM 0 H GLU A 745 6.847 3.936 8.682 1.00 0.00 H new ATOM 0 HA GLU A 745 4.357 5.108 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.705 5.778 10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.155 6.611 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.159 7.483 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.362 7.423 9.379 1.00 0.00 H new ATOM 69 N ASP A 746 7.566 5.857 7.410 1.00 0.00 N ATOM 70 CA ASP A 746 8.578 6.352 6.489 1.00 0.00 C ATOM 71 C ASP A 746 9.643 5.289 6.242 1.00 0.00 C ATOM 72 O ASP A 746 10.601 5.161 7.004 1.00 0.00 O ATOM 73 CB ASP A 746 9.224 7.623 7.042 1.00 0.00 C ATOM 74 CG ASP A 746 8.520 8.881 6.573 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.452 9.207 7.133 1.00 0.00 O ATOM 76 OD2 ASP A 746 9.037 9.542 5.648 1.00 0.00 O ATOM 0 H ASP A 746 7.931 5.537 8.307 1.00 0.00 H new ATOM 0 HA ASP A 746 8.094 6.587 5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.213 7.588 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.269 7.659 6.735 1.00 0.00 H new ATOM 81 N ASP A 747 9.466 4.538 5.164 1.00 0.00 N ATOM 82 CA ASP A 747 10.402 3.486 4.789 1.00 0.00 C ATOM 83 C ASP A 747 10.941 3.731 3.382 1.00 0.00 C ATOM 84 O ASP A 747 10.204 4.177 2.503 1.00 0.00 O ATOM 85 CB ASP A 747 9.718 2.118 4.855 1.00 0.00 C ATOM 86 CG ASP A 747 10.687 0.970 4.664 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.203 0.810 3.537 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.932 0.230 5.640 1.00 0.00 O ATOM 0 H ASP A 747 8.675 4.639 4.528 1.00 0.00 H new ATOM 0 HA ASP A 747 11.235 3.499 5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.220 2.011 5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.944 2.066 4.089 1.00 0.00 H new ATOM 93 N PRO A 748 12.234 3.439 3.145 1.00 0.00 N ATOM 94 CA PRO A 748 12.864 3.627 1.836 1.00 0.00 C ATOM 95 C PRO A 748 11.954 3.267 0.665 1.00 0.00 C ATOM 96 O PRO A 748 12.111 3.802 -0.434 1.00 0.00 O ATOM 97 CB PRO A 748 14.050 2.671 1.904 1.00 0.00 C ATOM 98 CG PRO A 748 14.456 2.690 3.338 1.00 0.00 C ATOM 99 CD PRO A 748 13.191 2.899 4.135 1.00 0.00 C ATOM 0 HA PRO A 748 13.126 4.670 1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.771 1.667 1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.863 2.999 1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.941 1.755 3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.172 3.489 3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.833 1.965 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.348 3.594 4.960 1.00 0.00 H new ATOM 107 N LEU A 749 11.012 2.355 0.891 1.00 0.00 N ATOM 108 CA LEU A 749 10.105 1.936 -0.171 1.00 0.00 C ATOM 109 C LEU A 749 8.640 2.211 0.169 1.00 0.00 C ATOM 110 O LEU A 749 7.788 2.216 -0.720 1.00 0.00 O ATOM 111 CB LEU A 749 10.301 0.449 -0.459 1.00 0.00 C ATOM 112 CG LEU A 749 11.667 0.085 -1.045 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.930 -1.406 -0.912 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.747 0.517 -2.499 1.00 0.00 C ATOM 0 H LEU A 749 10.858 1.897 1.789 1.00 0.00 H new ATOM 0 HA LEU A 749 10.346 2.524 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.158 -0.108 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.525 0.122 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 749 12.437 0.614 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.906 -1.642 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.913 -1.686 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.159 -1.961 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.724 0.252 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.968 0.013 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.607 1.596 -2.566 1.00 0.00 H new ATOM 126 N TYR A 750 8.333 2.445 1.446 1.00 0.00 N ATOM 127 CA TYR A 750 6.949 2.710 1.839 1.00 0.00 C ATOM 128 C TYR A 750 6.390 3.876 1.047 1.00 0.00 C ATOM 129 O TYR A 750 5.292 3.797 0.512 1.00 0.00 O ATOM 130 CB TYR A 750 6.833 2.987 3.334 1.00 0.00 C ATOM 131 CG TYR A 750 5.433 3.354 3.776 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.530 2.374 4.163 1.00 0.00 C ATOM 133 CD2 TYR A 750 5.017 4.678 3.812 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.257 2.698 4.576 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.743 5.013 4.225 1.00 0.00 C ATOM 136 CZ TYR A 750 2.867 4.019 4.608 1.00 0.00 C ATOM 137 OH TYR A 750 1.596 4.348 5.020 1.00 0.00 O ATOM 0 H TYR A 750 9.008 2.457 2.211 1.00 0.00 H new ATOM 0 HA TYR A 750 6.366 1.816 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.159 2.105 3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.513 3.797 3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.831 1.337 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.701 5.458 3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.568 1.921 4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.434 6.048 4.248 1.00 0.00 H new ATOM 0 HH TYR A 750 1.553 5.308 5.212 1.00 0.00 H new ATOM 147 N ASP A 751 7.156 4.950 0.958 1.00 0.00 N ATOM 148 CA ASP A 751 6.727 6.118 0.204 1.00 0.00 C ATOM 149 C ASP A 751 6.338 5.701 -1.210 1.00 0.00 C ATOM 150 O ASP A 751 5.393 6.235 -1.791 1.00 0.00 O ATOM 151 CB ASP A 751 7.842 7.166 0.158 1.00 0.00 C ATOM 152 CG ASP A 751 7.386 8.467 -0.471 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.345 9.004 -0.038 1.00 0.00 O ATOM 154 OD2 ASP A 751 8.070 8.950 -1.398 1.00 0.00 O ATOM 0 H ASP A 751 8.073 5.039 1.395 1.00 0.00 H new ATOM 0 HA ASP A 751 5.862 6.559 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.197 7.360 1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.687 6.770 -0.405 1.00 0.00 H new ATOM 159 N GLU A 752 7.064 4.721 -1.748 1.00 0.00 N ATOM 160 CA GLU A 752 6.782 4.210 -3.082 1.00 0.00 C ATOM 161 C GLU A 752 5.487 3.413 -3.075 1.00 0.00 C ATOM 162 O GLU A 752 4.651 3.556 -3.965 1.00 0.00 O ATOM 163 CB GLU A 752 7.938 3.341 -3.579 1.00 0.00 C ATOM 164 CG GLU A 752 9.068 4.138 -4.208 1.00 0.00 C ATOM 165 CD GLU A 752 9.608 3.490 -5.467 1.00 0.00 C ATOM 166 OE1 GLU A 752 8.818 3.274 -6.410 1.00 0.00 O ATOM 167 OE2 GLU A 752 10.822 3.199 -5.511 1.00 0.00 O ATOM 0 H GLU A 752 7.849 4.269 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 752 6.670 5.055 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.333 2.763 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.557 2.627 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.713 5.141 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 752 9.876 4.248 -3.485 1.00 0.00 H new ATOM 174 N ALA A 753 5.327 2.580 -2.054 1.00 0.00 N ATOM 175 CA ALA A 753 4.126 1.763 -1.913 1.00 0.00 C ATOM 176 C ALA A 753 2.900 2.652 -1.765 1.00 0.00 C ATOM 177 O ALA A 753 1.919 2.505 -2.492 1.00 0.00 O ATOM 178 CB ALA A 753 4.256 0.830 -0.718 1.00 0.00 C ATOM 0 H ALA A 753 6.014 2.452 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 753 4.009 1.156 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.352 0.228 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.116 0.175 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.393 1.418 0.189 1.00 0.00 H new ATOM 184 N VAL A 754 2.975 3.590 -0.826 1.00 0.00 N ATOM 185 CA VAL A 754 1.890 4.525 -0.577 1.00 0.00 C ATOM 186 C VAL A 754 1.539 5.281 -1.857 1.00 0.00 C ATOM 187 O VAL A 754 0.364 5.466 -2.177 1.00 0.00 O ATOM 188 CB VAL A 754 2.277 5.518 0.545 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.587 6.862 0.377 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.955 4.924 1.904 1.00 0.00 C ATOM 0 H VAL A 754 3.786 3.721 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 754 1.015 3.962 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 754 3.351 5.693 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.887 7.528 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.872 7.300 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.506 6.722 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.232 5.632 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.887 4.715 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.515 3.998 2.038 1.00 0.00 H new ATOM 200 N ARG A 755 2.564 5.696 -2.594 1.00 0.00 N ATOM 201 CA ARG A 755 2.362 6.409 -3.848 1.00 0.00 C ATOM 202 C ARG A 755 1.781 5.465 -4.894 1.00 0.00 C ATOM 203 O ARG A 755 0.966 5.861 -5.728 1.00 0.00 O ATOM 204 CB ARG A 755 3.685 6.992 -4.347 1.00 0.00 C ATOM 205 CG ARG A 755 3.514 8.067 -5.410 1.00 0.00 C ATOM 206 CD ARG A 755 4.782 8.249 -6.229 1.00 0.00 C ATOM 207 NE ARG A 755 4.498 8.362 -7.658 1.00 0.00 N ATOM 208 CZ ARG A 755 5.346 8.879 -8.544 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.533 9.327 -8.155 1.00 0.00 N ATOM 210 NH2 ARG A 755 5.007 8.947 -9.824 1.00 0.00 N ATOM 0 H ARG A 755 3.542 5.550 -2.344 1.00 0.00 H new ATOM 0 HA ARG A 755 1.662 7.227 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.229 7.412 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.298 6.187 -4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 755 2.689 7.799 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 755 3.248 9.011 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.307 9.143 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.449 7.404 -6.057 1.00 0.00 H new ATOM 0 HE ARG A 755 3.597 8.025 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.800 9.276 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.178 9.722 -8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 755 4.097 8.603 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 755 5.657 9.343 -10.503 1.00 0.00 H new ATOM 224 N PHE A 756 2.216 4.213 -4.833 1.00 0.00 N ATOM 225 CA PHE A 756 1.763 3.184 -5.759 1.00 0.00 C ATOM 226 C PHE A 756 0.280 2.877 -5.551 1.00 0.00 C ATOM 227 O PHE A 756 -0.483 2.785 -6.513 1.00 0.00 O ATOM 228 CB PHE A 756 2.612 1.918 -5.567 1.00 0.00 C ATOM 229 CG PHE A 756 1.916 0.641 -5.943 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.961 0.165 -7.243 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.221 -0.082 -4.991 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.323 -1.011 -7.584 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.583 -1.256 -5.326 1.00 0.00 C ATOM 234 CZ PHE A 756 0.633 -1.721 -6.625 1.00 0.00 C ATOM 0 H PHE A 756 2.891 3.883 -4.143 1.00 0.00 H new ATOM 0 HA PHE A 756 1.884 3.546 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.521 2.011 -6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.919 1.856 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.500 0.719 -7.997 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.178 0.278 -3.974 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.365 -1.374 -8.600 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.044 -1.812 -4.573 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.132 -2.640 -6.890 1.00 0.00 H new ATOM 244 N VAL A 757 -0.122 2.717 -4.293 1.00 0.00 N ATOM 245 CA VAL A 757 -1.510 2.420 -3.969 1.00 0.00 C ATOM 246 C VAL A 757 -2.406 3.620 -4.257 1.00 0.00 C ATOM 247 O VAL A 757 -3.485 3.480 -4.830 1.00 0.00 O ATOM 248 CB VAL A 757 -1.669 2.015 -2.491 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.111 1.636 -2.189 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.728 0.869 -2.148 1.00 0.00 C ATOM 0 H VAL A 757 0.495 2.788 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.812 1.583 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.407 2.872 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.201 1.353 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.761 2.487 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.406 0.796 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.854 0.596 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.958 0.009 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.302 1.180 -2.321 1.00 0.00 H new ATOM 260 N THR A 758 -1.949 4.799 -3.851 1.00 0.00 N ATOM 261 CA THR A 758 -2.705 6.027 -4.060 1.00 0.00 C ATOM 262 C THR A 758 -2.989 6.258 -5.543 1.00 0.00 C ATOM 263 O THR A 758 -4.100 6.634 -5.919 1.00 0.00 O ATOM 264 CB THR A 758 -1.937 7.217 -3.488 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.555 7.106 -3.774 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.087 7.362 -1.989 1.00 0.00 C ATOM 0 H THR A 758 -1.057 4.930 -3.374 1.00 0.00 H new ATOM 0 HA THR A 758 -3.659 5.927 -3.543 1.00 0.00 H new ATOM 0 HB THR A 758 -2.369 8.096 -3.966 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.099 6.674 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.517 8.226 -1.648 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.139 7.501 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.713 6.464 -1.497 1.00 0.00 H new ATOM 274 N GLU A 759 -1.978 6.041 -6.378 1.00 0.00 N ATOM 275 CA GLU A 759 -2.120 6.235 -7.818 1.00 0.00 C ATOM 276 C GLU A 759 -2.839 5.056 -8.472 1.00 0.00 C ATOM 277 O GLU A 759 -3.707 5.243 -9.324 1.00 0.00 O ATOM 278 CB GLU A 759 -0.744 6.433 -8.462 1.00 0.00 C ATOM 279 CG GLU A 759 -0.626 7.724 -9.255 1.00 0.00 C ATOM 280 CD GLU A 759 -0.473 7.484 -10.745 1.00 0.00 C ATOM 281 OE1 GLU A 759 0.544 6.879 -11.147 1.00 0.00 O ATOM 282 OE2 GLU A 759 -1.368 7.901 -11.508 1.00 0.00 O ATOM 0 H GLU A 759 -1.052 5.731 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.725 7.128 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 759 0.018 6.424 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.536 5.590 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.511 8.336 -9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 759 0.231 8.291 -8.893 1.00 0.00 H new ATOM 289 N SER A 760 -2.469 3.845 -8.071 1.00 0.00 N ATOM 290 CA SER A 760 -3.076 2.638 -8.622 1.00 0.00 C ATOM 291 C SER A 760 -4.508 2.465 -8.118 1.00 0.00 C ATOM 292 O SER A 760 -5.306 1.748 -8.723 1.00 0.00 O ATOM 293 CB SER A 760 -2.235 1.414 -8.256 1.00 0.00 C ATOM 294 OG SER A 760 -2.308 1.140 -6.868 1.00 0.00 O ATOM 0 H SER A 760 -1.752 3.672 -7.367 1.00 0.00 H new ATOM 0 HA SER A 760 -3.109 2.737 -9.707 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.583 0.548 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.197 1.584 -8.542 1.00 0.00 H new ATOM 0 HG SER A 760 -1.500 1.475 -6.426 1.00 0.00 H new ATOM 300 N ARG A 761 -4.827 3.129 -7.010 1.00 0.00 N ATOM 301 CA ARG A 761 -6.162 3.060 -6.422 1.00 0.00 C ATOM 302 C ARG A 761 -6.499 1.645 -5.957 1.00 0.00 C ATOM 303 O ARG A 761 -7.560 1.109 -6.283 1.00 0.00 O ATOM 304 CB ARG A 761 -7.212 3.549 -7.425 1.00 0.00 C ATOM 305 CG ARG A 761 -7.294 5.064 -7.528 1.00 0.00 C ATOM 306 CD ARG A 761 -7.910 5.675 -6.280 1.00 0.00 C ATOM 307 NE ARG A 761 -9.363 5.524 -6.255 1.00 0.00 N ATOM 308 CZ ARG A 761 -10.106 5.679 -5.162 1.00 0.00 C ATOM 309 NH1 ARG A 761 -9.538 5.988 -4.003 1.00 0.00 N ATOM 310 NH2 ARG A 761 -11.421 5.524 -5.227 1.00 0.00 N ATOM 0 H ARG A 761 -4.175 3.724 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.171 3.711 -5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -6.983 3.138 -8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.188 3.159 -7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.296 5.474 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.888 5.339 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -7.481 5.203 -5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -7.655 6.734 -6.231 1.00 0.00 H new ATOM 0 HE ARG A 761 -9.836 5.286 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.527 6.108 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -10.113 6.106 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -11.863 5.286 -6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -11.991 5.643 -4.389 1.00 0.00 H new ATOM 324 N ARG A 762 -5.596 1.049 -5.185 1.00 0.00 N ATOM 325 CA ARG A 762 -5.800 -0.300 -4.661 1.00 0.00 C ATOM 326 C ARG A 762 -4.604 -0.731 -3.813 1.00 0.00 C ATOM 327 O ARG A 762 -3.455 -0.454 -4.158 1.00 0.00 O ATOM 328 CB ARG A 762 -6.061 -1.291 -5.812 1.00 0.00 C ATOM 329 CG ARG A 762 -4.879 -2.181 -6.179 1.00 0.00 C ATOM 330 CD ARG A 762 -3.789 -1.397 -6.890 1.00 0.00 C ATOM 331 NE ARG A 762 -4.196 -0.982 -8.229 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.378 -1.825 -9.244 1.00 0.00 C ATOM 333 NH1 ARG A 762 -4.177 -3.126 -9.080 1.00 0.00 N ATOM 334 NH2 ARG A 762 -4.757 -1.363 -10.427 1.00 0.00 N ATOM 0 H ARG A 762 -4.714 1.479 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.680 -0.298 -4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.904 -1.926 -5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -6.360 -0.727 -6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.471 -2.636 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -5.220 -2.994 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -3.533 -0.517 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -2.889 -2.008 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.350 0.012 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -3.881 -3.486 -8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -4.318 -3.766 -9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -4.909 -0.363 -10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -4.897 -2.007 -11.205 1.00 0.00 H new ATOM 348 N ALA A 763 -4.878 -1.401 -2.698 1.00 0.00 N ATOM 349 CA ALA A 763 -3.820 -1.854 -1.809 1.00 0.00 C ATOM 350 C ALA A 763 -3.650 -3.366 -1.865 1.00 0.00 C ATOM 351 O ALA A 763 -4.258 -4.101 -1.088 1.00 0.00 O ATOM 352 CB ALA A 763 -4.105 -1.407 -0.384 1.00 0.00 C ATOM 0 H ALA A 763 -5.821 -1.640 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.886 -1.403 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.306 -1.752 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.160 -0.319 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.054 -1.829 -0.053 1.00 0.00 H new ATOM 358 N SER A 764 -2.796 -3.822 -2.772 1.00 0.00 N ATOM 359 CA SER A 764 -2.517 -5.243 -2.915 1.00 0.00 C ATOM 360 C SER A 764 -1.021 -5.475 -2.812 1.00 0.00 C ATOM 361 O SER A 764 -0.247 -4.958 -3.614 1.00 0.00 O ATOM 362 CB SER A 764 -3.044 -5.766 -4.253 1.00 0.00 C ATOM 363 OG SER A 764 -4.124 -4.977 -4.721 1.00 0.00 O ATOM 0 H SER A 764 -2.283 -3.225 -3.421 1.00 0.00 H new ATOM 0 HA SER A 764 -3.024 -5.786 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.241 -5.762 -4.990 1.00 0.00 H new ATOM 0 HB3 SER A 764 -3.368 -6.801 -4.140 1.00 0.00 H new ATOM 0 HG SER A 764 -4.441 -5.331 -5.578 1.00 0.00 H new ATOM 369 N ILE A 765 -0.619 -6.241 -1.811 1.00 0.00 N ATOM 370 CA ILE A 765 0.790 -6.521 -1.589 1.00 0.00 C ATOM 371 C ILE A 765 1.465 -7.066 -2.841 1.00 0.00 C ATOM 372 O ILE A 765 2.506 -6.565 -3.261 1.00 0.00 O ATOM 373 CB ILE A 765 0.994 -7.521 -0.446 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.105 -7.172 0.749 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.456 -7.532 -0.043 1.00 0.00 C ATOM 376 CD1 ILE A 765 -1.116 -8.057 0.870 1.00 0.00 C ATOM 0 H ILE A 765 -1.249 -6.680 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 765 1.248 -5.568 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 765 0.710 -8.516 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.692 -7.249 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.215 -6.134 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.604 -8.243 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.067 -7.825 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.750 -6.536 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -1.701 -7.754 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -1.725 -7.962 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 765 -0.803 -9.094 0.988 1.00 0.00 H new ATOM 388 N SER A 766 0.870 -8.094 -3.433 1.00 0.00 N ATOM 389 CA SER A 766 1.423 -8.704 -4.635 1.00 0.00 C ATOM 390 C SER A 766 1.664 -7.649 -5.711 1.00 0.00 C ATOM 391 O SER A 766 2.696 -7.652 -6.387 1.00 0.00 O ATOM 392 CB SER A 766 0.479 -9.784 -5.158 1.00 0.00 C ATOM 393 OG SER A 766 0.823 -10.170 -6.478 1.00 0.00 O ATOM 0 H SER A 766 0.006 -8.522 -3.101 1.00 0.00 H new ATOM 0 HA SER A 766 2.379 -9.162 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.516 -10.653 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.546 -9.414 -5.140 1.00 0.00 H new ATOM 0 HG SER A 766 0.204 -10.864 -6.788 1.00 0.00 H new ATOM 399 N ALA A 767 0.712 -6.738 -5.850 1.00 0.00 N ATOM 400 CA ALA A 767 0.819 -5.667 -6.831 1.00 0.00 C ATOM 401 C ALA A 767 1.898 -4.674 -6.422 1.00 0.00 C ATOM 402 O ALA A 767 2.698 -4.237 -7.250 1.00 0.00 O ATOM 403 CB ALA A 767 -0.522 -4.969 -6.999 1.00 0.00 C ATOM 0 H ALA A 767 -0.144 -6.719 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 767 1.103 -6.100 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.427 -4.171 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.267 -5.689 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.834 -4.546 -6.044 1.00 0.00 H new ATOM 409 N VAL A 768 1.927 -4.330 -5.139 1.00 0.00 N ATOM 410 CA VAL A 768 2.925 -3.401 -4.627 1.00 0.00 C ATOM 411 C VAL A 768 4.322 -3.938 -4.880 1.00 0.00 C ATOM 412 O VAL A 768 5.198 -3.219 -5.352 1.00 0.00 O ATOM 413 CB VAL A 768 2.772 -3.149 -3.112 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.774 -2.109 -2.638 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.364 -2.706 -2.776 1.00 0.00 C ATOM 0 H VAL A 768 1.274 -4.679 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 768 2.770 -2.459 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 768 2.970 -4.088 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.650 -1.946 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.786 -2.462 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.606 -1.173 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.283 -2.535 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.136 -1.783 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.658 -3.481 -3.075 1.00 0.00 H new ATOM 425 N GLN A 769 4.528 -5.210 -4.559 1.00 0.00 N ATOM 426 CA GLN A 769 5.825 -5.832 -4.753 1.00 0.00 C ATOM 427 C GLN A 769 6.165 -5.914 -6.230 1.00 0.00 C ATOM 428 O GLN A 769 7.330 -5.807 -6.614 1.00 0.00 O ATOM 429 CB GLN A 769 5.867 -7.222 -4.112 1.00 0.00 C ATOM 430 CG GLN A 769 4.948 -8.234 -4.774 1.00 0.00 C ATOM 431 CD GLN A 769 5.523 -9.636 -4.767 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.598 -10.240 -3.587 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.897 -10.171 -5.810 1.00 0.00 N flip ATOM 0 H GLN A 769 3.816 -5.825 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 769 6.574 -5.210 -4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.890 -7.597 -4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.596 -7.134 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 769 3.987 -8.237 -4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.758 -7.928 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.821 -9.671 -6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.283 -11.115 -5.789 1.00 0.00 H new ATOM 442 N ARG A 770 5.141 -6.102 -7.052 1.00 0.00 N ATOM 443 CA ARG A 770 5.322 -6.195 -8.490 1.00 0.00 C ATOM 444 C ARG A 770 5.754 -4.852 -9.078 1.00 0.00 C ATOM 445 O ARG A 770 6.636 -4.795 -9.936 1.00 0.00 O ATOM 446 CB ARG A 770 4.021 -6.668 -9.143 1.00 0.00 C ATOM 447 CG ARG A 770 4.043 -8.133 -9.547 1.00 0.00 C ATOM 448 CD ARG A 770 3.163 -8.392 -10.760 1.00 0.00 C ATOM 449 NE ARG A 770 2.243 -9.506 -10.541 1.00 0.00 N ATOM 450 CZ ARG A 770 1.289 -9.860 -11.400 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.129 -9.192 -12.536 1.00 0.00 N ATOM 452 NH2 ARG A 770 0.496 -10.886 -11.123 1.00 0.00 N ATOM 0 H ARG A 770 4.173 -6.193 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 770 6.112 -6.918 -8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.195 -6.503 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.824 -6.059 -10.025 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.067 -8.435 -9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 770 3.703 -8.746 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.594 -7.492 -10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.791 -8.605 -11.625 1.00 0.00 H new ATOM 0 HE ARG A 770 2.337 -10.044 -9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.738 -8.404 -12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.397 -9.467 -13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 770 0.617 -11.404 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 770 -0.235 -11.158 -11.781 1.00 0.00 H new ATOM 466 N LYS A 771 5.123 -3.776 -8.617 1.00 0.00 N ATOM 467 CA LYS A 771 5.438 -2.434 -9.105 1.00 0.00 C ATOM 468 C LYS A 771 6.710 -1.886 -8.472 1.00 0.00 C ATOM 469 O LYS A 771 7.537 -1.271 -9.147 1.00 0.00 O ATOM 470 CB LYS A 771 4.277 -1.485 -8.818 1.00 0.00 C ATOM 471 CG LYS A 771 4.162 -0.347 -9.821 1.00 0.00 C ATOM 472 CD LYS A 771 3.013 -0.565 -10.790 1.00 0.00 C ATOM 473 CE LYS A 771 2.591 0.734 -11.455 1.00 0.00 C ATOM 474 NZ LYS A 771 3.479 1.087 -12.597 1.00 0.00 N ATOM 0 H LYS A 771 4.391 -3.805 -7.907 1.00 0.00 H new ATOM 0 HA LYS A 771 5.599 -2.507 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.346 -2.052 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.398 -1.067 -7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.016 0.593 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 771 5.095 -0.257 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.310 -1.285 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.164 -0.995 -10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 771 1.564 0.644 -11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.606 1.539 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 3.158 1.979 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 4.455 1.198 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 3.445 0.331 -13.310 1.00 0.00 H new ATOM 488 N LEU A 772 6.860 -2.104 -7.174 1.00 0.00 N ATOM 489 CA LEU A 772 8.032 -1.620 -6.448 1.00 0.00 C ATOM 490 C LEU A 772 9.203 -2.593 -6.552 1.00 0.00 C ATOM 491 O LEU A 772 10.312 -2.283 -6.118 1.00 0.00 O ATOM 492 CB LEU A 772 7.692 -1.380 -4.973 1.00 0.00 C ATOM 493 CG LEU A 772 7.534 0.090 -4.571 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.068 0.482 -4.523 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.196 0.350 -3.224 1.00 0.00 C ATOM 0 H LEU A 772 6.187 -2.612 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 772 8.330 -0.678 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.766 -1.905 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.475 -1.826 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 772 8.028 0.702 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.981 1.530 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.620 0.337 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.549 -0.139 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.074 1.399 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.731 -0.276 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.258 0.114 -3.289 1.00 0.00 H new ATOM 507 N LYS A 773 8.956 -3.776 -7.107 1.00 0.00 N ATOM 508 CA LYS A 773 10.003 -4.779 -7.233 1.00 0.00 C ATOM 509 C LYS A 773 10.563 -5.114 -5.857 1.00 0.00 C ATOM 510 O LYS A 773 11.773 -5.249 -5.677 1.00 0.00 O ATOM 511 CB LYS A 773 11.120 -4.278 -8.151 1.00 0.00 C ATOM 512 CG LYS A 773 10.851 -4.525 -9.626 1.00 0.00 C ATOM 513 CD LYS A 773 11.471 -3.442 -10.495 1.00 0.00 C ATOM 514 CE LYS A 773 12.845 -3.852 -11.000 1.00 0.00 C ATOM 515 NZ LYS A 773 13.613 -2.690 -11.527 1.00 0.00 N ATOM 0 H LYS A 773 8.047 -4.060 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 773 9.575 -5.679 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.260 -3.209 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.054 -4.767 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 773 11.253 -5.497 -9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.776 -4.561 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 773 10.817 -3.235 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.553 -2.518 -9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.405 -4.320 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.735 -4.600 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 14.544 -3.012 -11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 13.092 -2.259 -12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 13.741 -1.987 -10.771 1.00 0.00 H new ATOM 529 N ILE A 774 9.663 -5.238 -4.887 1.00 0.00 N ATOM 530 CA ILE A 774 10.052 -5.549 -3.514 1.00 0.00 C ATOM 531 C ILE A 774 9.578 -6.943 -3.120 1.00 0.00 C ATOM 532 O ILE A 774 9.052 -7.686 -3.948 1.00 0.00 O ATOM 533 CB ILE A 774 9.482 -4.520 -2.510 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.968 -4.405 -2.665 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.140 -3.166 -2.706 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.309 -3.493 -1.650 1.00 0.00 C ATOM 0 H ILE A 774 8.658 -5.128 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 774 11.141 -5.507 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 774 9.700 -4.867 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.743 -4.039 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.529 -5.399 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.727 -2.454 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.215 -3.257 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.951 -2.813 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.234 -3.466 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.500 -3.869 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.718 -2.487 -1.745 1.00 0.00 H new ATOM 548 N GLY A 775 9.763 -7.291 -1.853 1.00 0.00 N ATOM 549 CA GLY A 775 9.342 -8.593 -1.374 1.00 0.00 C ATOM 550 C GLY A 775 7.935 -8.561 -0.817 1.00 0.00 C ATOM 551 O GLY A 775 7.475 -7.523 -0.342 1.00 0.00 O ATOM 0 H GLY A 775 10.197 -6.695 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.393 -9.314 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.031 -8.936 -0.602 1.00 0.00 H new ATOM 555 N TYR A 776 7.244 -9.694 -0.874 1.00 0.00 N ATOM 556 CA TYR A 776 5.879 -9.774 -0.368 1.00 0.00 C ATOM 557 C TYR A 776 5.823 -9.385 1.106 1.00 0.00 C ATOM 558 O TYR A 776 4.968 -8.603 1.521 1.00 0.00 O ATOM 559 CB TYR A 776 5.324 -11.186 -0.556 1.00 0.00 C ATOM 560 CG TYR A 776 3.919 -11.357 -0.027 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.694 -11.671 1.306 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.819 -11.200 -0.861 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.412 -11.826 1.795 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.533 -11.352 -0.380 1.00 0.00 C ATOM 565 CZ TYR A 776 1.334 -11.666 0.948 1.00 0.00 C ATOM 566 OH TYR A 776 0.055 -11.819 1.431 1.00 0.00 O ATOM 0 H TYR A 776 7.604 -10.565 -1.263 1.00 0.00 H new ATOM 0 HA TYR A 776 5.266 -9.073 -0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.337 -11.435 -1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 776 5.982 -11.896 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.535 -11.796 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 776 2.972 -10.955 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.254 -12.071 2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.688 -11.226 -1.040 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.588 -11.672 0.706 1.00 0.00 H new ATOM 576 N ASN A 777 6.743 -9.935 1.892 1.00 0.00 N ATOM 577 CA ASN A 777 6.804 -9.647 3.320 1.00 0.00 C ATOM 578 C ASN A 777 6.961 -8.151 3.573 1.00 0.00 C ATOM 579 O ASN A 777 6.255 -7.576 4.401 1.00 0.00 O ATOM 580 CB ASN A 777 7.964 -10.409 3.963 1.00 0.00 C ATOM 581 CG ASN A 777 7.915 -11.895 3.665 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.916 -12.406 3.162 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.999 -12.596 3.977 1.00 0.00 N ATOM 0 H ASN A 777 7.458 -10.584 1.563 1.00 0.00 H new ATOM 0 HA ASN A 777 5.866 -9.973 3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.908 -10.000 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 777 7.942 -10.257 5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 777 9.025 -13.600 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.805 -12.130 4.393 1.00 0.00 H new ATOM 590 N ARG A 778 7.892 -7.524 2.858 1.00 0.00 N ATOM 591 CA ARG A 778 8.137 -6.096 3.013 1.00 0.00 C ATOM 592 C ARG A 778 6.935 -5.286 2.537 1.00 0.00 C ATOM 593 O ARG A 778 6.442 -4.409 3.247 1.00 0.00 O ATOM 594 CB ARG A 778 9.392 -5.692 2.232 1.00 0.00 C ATOM 595 CG ARG A 778 9.565 -4.190 2.069 1.00 0.00 C ATOM 596 CD ARG A 778 10.589 -3.859 0.998 1.00 0.00 C ATOM 597 NE ARG A 778 11.642 -2.976 1.500 1.00 0.00 N ATOM 598 CZ ARG A 778 12.798 -3.407 2.001 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.056 -4.707 2.084 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.700 -2.532 2.425 1.00 0.00 N ATOM 0 H ARG A 778 8.487 -7.983 2.168 1.00 0.00 H new ATOM 0 HA ARG A 778 8.293 -5.885 4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.268 -6.095 2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.356 -6.152 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.607 -3.739 1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.876 -3.754 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.036 -4.781 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.090 -3.384 0.154 1.00 0.00 H new ATOM 0 HE ARG A 778 11.481 -1.969 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.366 -5.386 1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 778 13.945 -5.027 2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.507 -1.532 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.586 -2.859 2.809 1.00 0.00 H new ATOM 614 N ALA A 779 6.469 -5.592 1.334 1.00 0.00 N ATOM 615 CA ALA A 779 5.324 -4.901 0.757 1.00 0.00 C ATOM 616 C ALA A 779 4.126 -4.964 1.700 1.00 0.00 C ATOM 617 O ALA A 779 3.508 -3.946 1.998 1.00 0.00 O ATOM 618 CB ALA A 779 4.974 -5.500 -0.597 1.00 0.00 C ATOM 0 H ALA A 779 6.868 -6.317 0.737 1.00 0.00 H new ATOM 0 HA ALA A 779 5.588 -3.853 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.117 -4.974 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.826 -5.401 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.729 -6.555 -0.476 1.00 0.00 H new ATOM 624 N ALA A 780 3.810 -6.168 2.171 1.00 0.00 N ATOM 625 CA ALA A 780 2.694 -6.363 3.089 1.00 0.00 C ATOM 626 C ALA A 780 2.885 -5.538 4.358 1.00 0.00 C ATOM 627 O ALA A 780 1.947 -4.909 4.846 1.00 0.00 O ATOM 628 CB ALA A 780 2.538 -7.837 3.430 1.00 0.00 C ATOM 0 H ALA A 780 4.312 -7.023 1.931 1.00 0.00 H new ATOM 0 HA ALA A 780 1.783 -6.023 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.701 -7.965 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.350 -8.403 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.452 -8.200 3.901 1.00 0.00 H new ATOM 634 N ARG A 781 4.108 -5.536 4.883 1.00 0.00 N ATOM 635 CA ARG A 781 4.416 -4.776 6.089 1.00 0.00 C ATOM 636 C ARG A 781 4.119 -3.300 5.859 1.00 0.00 C ATOM 637 O ARG A 781 3.445 -2.654 6.662 1.00 0.00 O ATOM 638 CB ARG A 781 5.884 -4.960 6.479 1.00 0.00 C ATOM 639 CG ARG A 781 6.138 -6.201 7.320 1.00 0.00 C ATOM 640 CD ARG A 781 7.210 -5.953 8.370 1.00 0.00 C ATOM 641 NE ARG A 781 7.550 -7.171 9.102 1.00 0.00 N ATOM 642 CZ ARG A 781 8.167 -7.180 10.282 1.00 0.00 C ATOM 643 NH1 ARG A 781 8.512 -6.040 10.867 1.00 0.00 N ATOM 644 NH2 ARG A 781 8.439 -8.332 10.878 1.00 0.00 N ATOM 0 H ARG A 781 4.898 -6.050 4.493 1.00 0.00 H new ATOM 0 HA ARG A 781 3.793 -5.145 6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.488 -5.015 5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.218 -4.082 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.213 -6.506 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.444 -7.024 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.104 -5.557 7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 781 6.863 -5.194 9.071 1.00 0.00 H new ATOM 0 HE ARG A 781 7.300 -8.067 8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 781 8.305 -5.151 10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 781 8.984 -6.053 11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 781 8.176 -9.211 10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 781 8.912 -8.339 11.782 1.00 0.00 H new ATOM 658 N MET A 782 4.609 -2.783 4.740 1.00 0.00 N ATOM 659 CA MET A 782 4.383 -1.393 4.378 1.00 0.00 C ATOM 660 C MET A 782 2.901 -1.170 4.121 1.00 0.00 C ATOM 661 O MET A 782 2.349 -0.120 4.444 1.00 0.00 O ATOM 662 CB MET A 782 5.213 -1.035 3.145 1.00 0.00 C ATOM 663 CG MET A 782 6.706 -1.159 3.393 1.00 0.00 C ATOM 664 SD MET A 782 7.718 -0.345 2.142 1.00 0.00 S ATOM 665 CE MET A 782 6.963 -0.921 0.624 1.00 0.00 C ATOM 0 H MET A 782 5.167 -3.308 4.067 1.00 0.00 H new ATOM 0 HA MET A 782 4.694 -0.745 5.197 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.930 -1.687 2.319 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.982 -0.014 2.839 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.940 -0.735 4.369 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.972 -2.215 3.432 1.00 0.00 H new ATOM 0 HE1 MET A 782 7.444 -0.439 -0.227 1.00 0.00 H new ATOM 0 HE2 MET A 782 7.083 -2.002 0.545 1.00 0.00 H new ATOM 0 HE3 MET A 782 5.902 -0.673 0.629 1.00 0.00 H new ATOM 675 N ILE A 783 2.256 -2.187 3.565 1.00 0.00 N ATOM 676 CA ILE A 783 0.831 -2.128 3.292 1.00 0.00 C ATOM 677 C ILE A 783 0.076 -2.015 4.613 1.00 0.00 C ATOM 678 O ILE A 783 -0.911 -1.282 4.725 1.00 0.00 O ATOM 679 CB ILE A 783 0.378 -3.379 2.497 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.800 -3.252 1.029 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.124 -3.600 2.601 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.080 -2.323 0.212 1.00 0.00 C ATOM 0 H ILE A 783 2.701 -3.064 3.294 1.00 0.00 H new ATOM 0 HA ILE A 783 0.611 -1.253 2.680 1.00 0.00 H new ATOM 0 HB ILE A 783 0.867 -4.248 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.828 -2.892 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.789 -4.241 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.402 -4.486 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.400 -3.740 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.648 -2.732 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.284 -2.287 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.106 -2.692 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.051 -1.322 0.643 1.00 0.00 H new ATOM 694 N GLU A 784 0.578 -2.712 5.630 1.00 0.00 N ATOM 695 CA GLU A 784 -0.017 -2.652 6.953 1.00 0.00 C ATOM 696 C GLU A 784 0.131 -1.235 7.484 1.00 0.00 C ATOM 697 O GLU A 784 -0.785 -0.676 8.092 1.00 0.00 O ATOM 698 CB GLU A 784 0.663 -3.646 7.893 1.00 0.00 C ATOM 699 CG GLU A 784 0.115 -5.059 7.782 1.00 0.00 C ATOM 700 CD GLU A 784 -1.132 -5.268 8.617 1.00 0.00 C ATOM 701 OE1 GLU A 784 -1.249 -4.626 9.683 1.00 0.00 O ATOM 702 OE2 GLU A 784 -1.995 -6.073 8.206 1.00 0.00 O ATOM 0 H GLU A 784 1.393 -3.322 5.559 1.00 0.00 H new ATOM 0 HA GLU A 784 -1.072 -2.918 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.732 -3.662 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 784 0.547 -3.300 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.111 -5.276 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.881 -5.768 8.096 1.00 0.00 H new ATOM 709 N ALA A 785 1.294 -0.648 7.206 1.00 0.00 N ATOM 710 CA ALA A 785 1.576 0.720 7.608 1.00 0.00 C ATOM 711 C ALA A 785 0.571 1.654 6.959 1.00 0.00 C ATOM 712 O ALA A 785 0.163 2.654 7.544 1.00 0.00 O ATOM 713 CB ALA A 785 2.991 1.114 7.212 1.00 0.00 C ATOM 0 H ALA A 785 2.055 -1.104 6.702 1.00 0.00 H new ATOM 0 HA ALA A 785 1.493 0.795 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.183 2.141 7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.704 0.449 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.102 1.034 6.131 1.00 0.00 H new ATOM 719 N MET A 786 0.168 1.303 5.741 1.00 0.00 N ATOM 720 CA MET A 786 -0.804 2.093 5.003 1.00 0.00 C ATOM 721 C MET A 786 -2.158 2.031 5.695 1.00 0.00 C ATOM 722 O MET A 786 -2.870 3.028 5.787 1.00 0.00 O ATOM 723 CB MET A 786 -0.926 1.589 3.565 1.00 0.00 C ATOM 724 CG MET A 786 0.093 2.203 2.629 1.00 0.00 C ATOM 725 SD MET A 786 -0.147 1.715 0.911 1.00 0.00 S ATOM 726 CE MET A 786 1.305 0.702 0.640 1.00 0.00 C ATOM 0 H MET A 786 0.502 0.476 5.247 1.00 0.00 H new ATOM 0 HA MET A 786 -0.463 3.128 4.978 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.811 0.505 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.928 1.807 3.194 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.039 3.289 2.704 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.094 1.911 2.948 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.198 0.156 -0.297 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.189 1.338 0.591 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.413 -0.006 1.462 1.00 0.00 H new ATOM 736 N GLU A 787 -2.502 0.847 6.187 1.00 0.00 N ATOM 737 CA GLU A 787 -3.769 0.652 6.883 1.00 0.00 C ATOM 738 C GLU A 787 -3.859 1.560 8.102 1.00 0.00 C ATOM 739 O GLU A 787 -4.816 2.318 8.260 1.00 0.00 O ATOM 740 CB GLU A 787 -3.925 -0.807 7.310 1.00 0.00 C ATOM 741 CG GLU A 787 -4.904 -1.584 6.451 1.00 0.00 C ATOM 742 CD GLU A 787 -5.369 -2.866 7.113 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.506 -3.677 7.509 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.597 -3.058 7.237 1.00 0.00 O ATOM 0 H GLU A 787 -1.924 0.010 6.118 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.575 0.908 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.951 -1.295 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.257 -0.841 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.769 -0.957 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.435 -1.822 5.496 1.00 0.00 H new ATOM 751 N MET A 788 -2.855 1.469 8.960 1.00 0.00 N ATOM 752 CA MET A 788 -2.806 2.275 10.173 1.00 0.00 C ATOM 753 C MET A 788 -2.584 3.749 9.846 1.00 0.00 C ATOM 754 O MET A 788 -3.150 4.632 10.489 1.00 0.00 O ATOM 755 CB MET A 788 -1.690 1.771 11.088 1.00 0.00 C ATOM 756 CG MET A 788 -2.053 0.509 11.851 1.00 0.00 C ATOM 757 SD MET A 788 -0.850 0.100 13.131 1.00 0.00 S ATOM 758 CE MET A 788 0.588 -0.280 12.133 1.00 0.00 C ATOM 0 H MET A 788 -2.059 0.843 8.839 1.00 0.00 H new ATOM 0 HA MET A 788 -3.765 2.180 10.683 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.799 1.580 10.490 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.434 2.555 11.800 1.00 0.00 H new ATOM 0 HG2 MET A 788 -3.035 0.635 12.308 1.00 0.00 H new ATOM 0 HG3 MET A 788 -2.131 -0.324 11.152 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.361 -0.721 12.762 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.311 -0.986 11.350 1.00 0.00 H new ATOM 0 HE3 MET A 788 0.968 0.635 11.679 1.00 0.00 H new ATOM 768 N ALA A 789 -1.749 4.001 8.846 1.00 0.00 N ATOM 769 CA ALA A 789 -1.437 5.362 8.425 1.00 0.00 C ATOM 770 C ALA A 789 -2.653 6.060 7.824 1.00 0.00 C ATOM 771 O ALA A 789 -2.706 7.288 7.763 1.00 0.00 O ATOM 772 CB ALA A 789 -0.299 5.348 7.416 1.00 0.00 C ATOM 0 H ALA A 789 -1.273 3.277 8.308 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.134 5.921 9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.073 6.369 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.586 4.903 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.592 4.762 6.545 1.00 0.00 H new ATOM 778 N GLY A 790 -3.618 5.272 7.367 1.00 0.00 N ATOM 779 CA GLY A 790 -4.807 5.839 6.758 1.00 0.00 C ATOM 780 C GLY A 790 -4.656 5.991 5.256 1.00 0.00 C ATOM 781 O GLY A 790 -5.445 6.681 4.609 1.00 0.00 O ATOM 0 H GLY A 790 -3.599 4.253 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.665 5.202 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.013 6.813 7.202 1.00 0.00 H new ATOM 785 N VAL A 791 -3.636 5.339 4.705 1.00 0.00 N ATOM 786 CA VAL A 791 -3.364 5.389 3.276 1.00 0.00 C ATOM 787 C VAL A 791 -4.202 4.365 2.530 1.00 0.00 C ATOM 788 O VAL A 791 -4.572 4.574 1.374 1.00 0.00 O ATOM 789 CB VAL A 791 -1.875 5.134 2.994 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.557 5.356 1.525 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.015 6.024 3.877 1.00 0.00 C ATOM 0 H VAL A 791 -2.980 4.765 5.235 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.627 6.387 2.925 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.650 4.094 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.497 5.170 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.151 4.674 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.794 6.384 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.038 5.835 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.243 7.070 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.222 5.806 4.925 1.00 0.00 H new ATOM 801 N VAL A 792 -4.508 3.261 3.199 1.00 0.00 N ATOM 802 CA VAL A 792 -5.316 2.212 2.596 1.00 0.00 C ATOM 803 C VAL A 792 -6.361 1.681 3.570 1.00 0.00 C ATOM 804 O VAL A 792 -6.093 1.521 4.759 1.00 0.00 O ATOM 805 CB VAL A 792 -4.444 1.044 2.104 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.377 1.550 1.153 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.813 0.308 3.275 1.00 0.00 C ATOM 0 H VAL A 792 -4.210 3.070 4.156 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.824 2.662 1.743 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.082 0.340 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.767 0.713 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.851 2.027 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.745 2.274 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.201 -0.513 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.188 0.997 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.597 -0.088 3.921 1.00 0.00 H new ATOM 817 N THR A 793 -7.550 1.401 3.052 1.00 0.00 N ATOM 818 CA THR A 793 -8.632 0.874 3.872 1.00 0.00 C ATOM 819 C THR A 793 -8.472 -0.637 4.032 1.00 0.00 C ATOM 820 O THR A 793 -7.779 -1.276 3.241 1.00 0.00 O ATOM 821 CB THR A 793 -9.989 1.195 3.239 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.279 0.287 2.192 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.077 2.596 2.670 1.00 0.00 C ATOM 0 H THR A 793 -7.789 1.530 2.069 1.00 0.00 H new ATOM 0 HA THR A 793 -8.589 1.344 4.854 1.00 0.00 H new ATOM 0 HB THR A 793 -10.711 1.109 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.228 0.043 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.066 2.752 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.909 3.323 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.320 2.723 1.897 1.00 0.00 H new ATOM 831 N PRO A 794 -9.108 -1.237 5.052 1.00 0.00 N ATOM 832 CA PRO A 794 -9.016 -2.681 5.287 1.00 0.00 C ATOM 833 C PRO A 794 -9.535 -3.490 4.104 1.00 0.00 C ATOM 834 O PRO A 794 -10.183 -2.951 3.205 1.00 0.00 O ATOM 835 CB PRO A 794 -9.894 -2.911 6.523 1.00 0.00 C ATOM 836 CG PRO A 794 -10.773 -1.711 6.598 1.00 0.00 C ATOM 837 CD PRO A 794 -9.961 -0.573 6.051 1.00 0.00 C ATOM 0 HA PRO A 794 -7.984 -3.003 5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.480 -3.825 6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.289 -3.014 7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.683 -1.856 6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.079 -1.514 7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.591 0.194 5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.371 -0.086 6.828 1.00 0.00 H new ATOM 845 N MET A 795 -9.242 -4.785 4.108 1.00 0.00 N ATOM 846 CA MET A 795 -9.670 -5.672 3.037 1.00 0.00 C ATOM 847 C MET A 795 -11.189 -5.799 3.003 1.00 0.00 C ATOM 848 O MET A 795 -11.874 -5.459 3.968 1.00 0.00 O ATOM 849 CB MET A 795 -9.035 -7.051 3.217 1.00 0.00 C ATOM 850 CG MET A 795 -7.571 -7.002 3.628 1.00 0.00 C ATOM 851 SD MET A 795 -6.574 -8.253 2.796 1.00 0.00 S ATOM 852 CE MET A 795 -5.132 -8.297 3.857 1.00 0.00 C ATOM 0 H MET A 795 -8.707 -5.244 4.845 1.00 0.00 H new ATOM 0 HA MET A 795 -9.343 -5.244 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.596 -7.604 3.970 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.123 -7.606 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.168 -6.014 3.405 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.496 -7.141 4.706 1.00 0.00 H new ATOM 0 HE1 MET A 795 -4.232 -8.352 3.245 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.101 -7.394 4.467 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.184 -9.171 4.506 1.00 0.00 H new ATOM 862 N ASN A 796 -11.709 -6.290 1.883 1.00 0.00 N ATOM 863 CA ASN A 796 -13.148 -6.464 1.716 1.00 0.00 C ATOM 864 C ASN A 796 -13.532 -7.936 1.817 1.00 0.00 C ATOM 865 O ASN A 796 -12.670 -8.806 1.951 1.00 0.00 O ATOM 866 CB ASN A 796 -13.597 -5.898 0.369 1.00 0.00 C ATOM 867 CG ASN A 796 -13.746 -4.395 0.392 1.00 0.00 C ATOM 868 OD1 ASN A 796 -14.011 -3.797 1.434 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.573 -3.776 -0.766 1.00 0.00 N ATOM 0 H ASN A 796 -11.154 -6.575 1.076 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.651 -5.921 2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.873 -6.176 -0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.548 -6.350 0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.658 -2.761 -0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.354 -4.314 -1.604 1.00 0.00 H new ATOM 876 N THR A 797 -14.831 -8.210 1.751 1.00 0.00 N ATOM 877 CA THR A 797 -15.330 -9.578 1.834 1.00 0.00 C ATOM 878 C THR A 797 -14.732 -10.443 0.729 1.00 0.00 C ATOM 879 O THR A 797 -14.477 -11.632 0.927 1.00 0.00 O ATOM 880 CB THR A 797 -16.856 -9.593 1.740 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.350 -10.920 1.790 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.384 -8.955 0.472 1.00 0.00 C ATOM 0 H THR A 797 -15.557 -7.502 1.640 1.00 0.00 H new ATOM 0 HA THR A 797 -15.028 -9.990 2.797 1.00 0.00 H new ATOM 0 HB THR A 797 -17.203 -9.010 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.328 -10.907 1.730 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.473 -8.999 0.469 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.063 -7.914 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 797 -16.997 -9.492 -0.394 1.00 0.00 H new ATOM 890 N ASN A 798 -14.511 -9.840 -0.435 1.00 0.00 N ATOM 891 CA ASN A 798 -13.942 -10.558 -1.570 1.00 0.00 C ATOM 892 C ASN A 798 -12.420 -10.643 -1.461 1.00 0.00 C ATOM 893 O ASN A 798 -11.788 -11.464 -2.126 1.00 0.00 O ATOM 894 CB ASN A 798 -14.333 -9.871 -2.881 1.00 0.00 C ATOM 895 CG ASN A 798 -14.846 -10.844 -3.915 1.00 0.00 C ATOM 896 OD1 ASN A 798 -14.550 -12.038 -3.867 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.621 -10.334 -4.860 1.00 0.00 N ATOM 0 H ASN A 798 -14.717 -8.858 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.343 -11.571 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -15.099 -9.122 -2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.468 -9.342 -3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.000 -10.938 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.839 -9.338 -4.858 1.00 0.00 H new ATOM 904 N GLY A 799 -11.837 -9.793 -0.620 1.00 0.00 N ATOM 905 CA GLY A 799 -10.397 -9.795 -0.445 1.00 0.00 C ATOM 906 C GLY A 799 -9.715 -8.682 -1.215 1.00 0.00 C ATOM 907 O GLY A 799 -8.601 -8.854 -1.711 1.00 0.00 O ATOM 0 H GLY A 799 -12.336 -9.104 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.163 -9.695 0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -9.996 -10.755 -0.770 1.00 0.00 H new ATOM 911 N SER A 800 -10.383 -7.537 -1.317 1.00 0.00 N ATOM 912 CA SER A 800 -9.830 -6.393 -2.033 1.00 0.00 C ATOM 913 C SER A 800 -9.790 -5.156 -1.142 1.00 0.00 C ATOM 914 O SER A 800 -10.788 -4.789 -0.523 1.00 0.00 O ATOM 915 CB SER A 800 -10.651 -6.100 -3.289 1.00 0.00 C ATOM 916 OG SER A 800 -10.808 -7.265 -4.080 1.00 0.00 O ATOM 0 H SER A 800 -11.306 -7.377 -0.914 1.00 0.00 H new ATOM 0 HA SER A 800 -8.810 -6.643 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.630 -5.715 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 800 -10.160 -5.323 -3.875 1.00 0.00 H new ATOM 0 HG SER A 800 -11.338 -7.051 -4.876 1.00 0.00 H new ATOM 922 N ARG A 801 -8.625 -4.522 -1.084 1.00 0.00 N ATOM 923 CA ARG A 801 -8.439 -3.326 -0.270 1.00 0.00 C ATOM 924 C ARG A 801 -8.755 -2.063 -1.057 1.00 0.00 C ATOM 925 O ARG A 801 -8.936 -2.097 -2.274 1.00 0.00 O ATOM 926 CB ARG A 801 -7.004 -3.252 0.243 1.00 0.00 C ATOM 927 CG ARG A 801 -6.793 -3.955 1.565 1.00 0.00 C ATOM 928 CD ARG A 801 -5.353 -4.419 1.715 1.00 0.00 C ATOM 929 NE ARG A 801 -4.964 -4.591 3.113 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.168 -3.754 3.778 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.715 -2.645 3.200 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.832 -4.021 5.032 1.00 0.00 N ATOM 0 H ARG A 801 -7.792 -4.817 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.128 -3.393 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.339 -3.690 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.719 -2.205 0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -7.048 -3.282 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.463 -4.811 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.222 -5.363 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.690 -3.694 1.243 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.325 -5.404 3.612 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -3.976 -2.428 2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.106 -2.012 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.182 -4.865 5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.223 -3.383 5.544 1.00 0.00 H new ATOM 946 N GLU A 802 -8.799 -0.945 -0.344 1.00 0.00 N ATOM 947 CA GLU A 802 -9.071 0.349 -0.953 1.00 0.00 C ATOM 948 C GLU A 802 -8.085 1.389 -0.434 1.00 0.00 C ATOM 949 O GLU A 802 -7.337 1.128 0.508 1.00 0.00 O ATOM 950 CB GLU A 802 -10.509 0.785 -0.665 1.00 0.00 C ATOM 951 CG GLU A 802 -11.439 0.636 -1.858 1.00 0.00 C ATOM 952 CD GLU A 802 -12.080 1.949 -2.268 1.00 0.00 C ATOM 953 OE1 GLU A 802 -11.335 2.918 -2.524 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.325 2.007 -2.332 1.00 0.00 O ATOM 0 H GLU A 802 -8.648 -0.910 0.664 1.00 0.00 H new ATOM 0 HA GLU A 802 -8.950 0.260 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.899 0.196 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.507 1.827 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -10.880 0.230 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -12.220 -0.085 -1.617 1.00 0.00 H new ATOM 961 N VAL A 803 -8.076 2.564 -1.053 1.00 0.00 N ATOM 962 CA VAL A 803 -7.168 3.627 -0.644 1.00 0.00 C ATOM 963 C VAL A 803 -7.912 4.780 0.020 1.00 0.00 C ATOM 964 O VAL A 803 -8.954 5.223 -0.462 1.00 0.00 O ATOM 965 CB VAL A 803 -6.368 4.178 -1.838 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.293 5.140 -1.359 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.758 3.040 -2.643 1.00 0.00 C ATOM 0 H VAL A 803 -8.684 2.803 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.482 3.181 0.076 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.050 4.726 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.737 5.520 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.758 5.972 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.612 4.619 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.196 3.449 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.089 2.462 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.551 2.393 -3.018 1.00 0.00 H new ATOM 977 N ILE A 804 -7.355 5.273 1.121 1.00 0.00 N ATOM 978 CA ILE A 804 -7.950 6.391 1.847 1.00 0.00 C ATOM 979 C ILE A 804 -7.160 7.669 1.588 1.00 0.00 C ATOM 980 O ILE A 804 -7.713 8.767 1.594 1.00 0.00 O ATOM 981 CB ILE A 804 -8.018 6.142 3.375 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.293 4.849 3.765 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.466 6.102 3.838 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.348 4.547 5.247 1.00 0.00 C ATOM 0 H ILE A 804 -6.492 4.916 1.531 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.971 6.493 1.478 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.511 6.968 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.733 4.016 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.250 4.919 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.499 5.926 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.947 7.053 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.991 5.298 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.815 3.618 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.882 5.361 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.387 4.444 5.559 1.00 0.00 H new ATOM 996 N ALA A 805 -5.860 7.510 1.357 1.00 0.00 N ATOM 997 CA ALA A 805 -4.987 8.639 1.091 1.00 0.00 C ATOM 998 C ALA A 805 -5.193 9.164 -0.328 1.00 0.00 C ATOM 999 O ALA A 805 -5.133 8.403 -1.294 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.532 8.241 1.302 1.00 0.00 C ATOM 0 H ALA A 805 -5.390 6.605 1.350 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.239 9.438 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.888 9.097 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.390 7.916 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.276 7.426 0.625 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.438 10.476 -0.474 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.654 11.102 -1.783 1.00 0.00 C ATOM 1008 C PRO A 806 -4.413 11.033 -2.665 1.00 0.00 C ATOM 1009 O PRO A 806 -3.309 10.774 -2.185 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.988 12.557 -1.438 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.400 12.769 -0.088 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.524 11.452 0.622 1.00 0.00 C ATOM 0 HA PRO A 806 -6.437 10.599 -2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.562 13.245 -2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.065 12.725 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.357 13.078 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -5.929 13.555 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.727 11.310 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.468 11.371 1.161 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.605 11.265 -3.958 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.504 11.227 -4.914 1.00 0.00 C ATOM 1022 C ALA A 807 -2.792 12.576 -4.992 1.00 0.00 C ATOM 1023 O ALA A 807 -3.381 13.616 -4.699 1.00 0.00 O ATOM 1024 CB ALA A 807 -4.013 10.818 -6.288 1.00 0.00 C ATOM 0 H ALA A 807 -5.513 11.482 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.783 10.486 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -3.181 10.794 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.467 9.829 -6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.756 11.538 -6.630 1.00 0.00 H new