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 Set 1.1: A 797 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 798 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 750 TYR OH : rot 174:sc= -0.955 USER MOD Single : A 758 THR OG1 : rot -101:sc= -0.473 USER MOD Single : A 760 SER OG : rot -97:sc= 1.14 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= -0.0379 F(o=-1.4,f=-0.038) 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) USER MOD Single : A 782 MET CE :methyl -113:sc= -8.44! (180deg=-12.4!) USER MOD Single : A 786 MET CE :methyl 162:sc= -4.11! (180deg=-4.48!) USER MOD Single : A 788 MET CE :methyl -170:sc=-0.00767 (180deg=-0.19) USER MOD Single : A 793 THR OG1 : rot 150:sc= -0.967 USER MOD Single : A 795 MET CE :methyl -150:sc= -1.66 (180deg=-3.81!) USER MOD Single : A 796 ASN : amide:sc= -0.0892 K(o=-0.089,f=-1.8!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.302 -0.635 7.171 1.00 0.00 N ATOM 37 CA GLY A 743 6.920 -0.498 6.751 1.00 0.00 C ATOM 38 C GLY A 743 5.998 -0.126 7.898 1.00 0.00 C ATOM 39 O GLY A 743 5.076 -0.873 8.227 1.00 0.00 O ATOM 0 HA2 GLY A 743 6.854 0.264 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.584 -1.435 6.308 1.00 0.00 H new ATOM 43 N SER A 744 6.242 1.033 8.502 1.00 0.00 N ATOM 44 CA SER A 744 5.424 1.509 9.614 1.00 0.00 C ATOM 45 C SER A 744 4.766 2.836 9.258 1.00 0.00 C ATOM 46 O SER A 744 3.564 3.022 9.449 1.00 0.00 O ATOM 47 CB SER A 744 6.274 1.666 10.876 1.00 0.00 C ATOM 48 OG SER A 744 7.024 0.493 11.137 1.00 0.00 O ATOM 0 H SER A 744 7.001 1.662 8.240 1.00 0.00 H new ATOM 0 HA SER A 744 4.645 0.771 9.808 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.949 2.514 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.629 1.886 11.727 1.00 0.00 H new ATOM 0 HG SER A 744 7.560 0.621 11.948 1.00 0.00 H new ATOM 54 N GLU A 745 5.567 3.746 8.725 1.00 0.00 N ATOM 55 CA GLU A 745 5.084 5.056 8.314 1.00 0.00 C ATOM 56 C GLU A 745 6.039 5.676 7.308 1.00 0.00 C ATOM 57 O GLU A 745 5.627 6.129 6.240 1.00 0.00 O ATOM 58 CB GLU A 745 4.920 5.983 9.517 1.00 0.00 C ATOM 59 CG GLU A 745 3.969 7.135 9.246 1.00 0.00 C ATOM 60 CD GLU A 745 4.521 8.469 9.705 1.00 0.00 C ATOM 61 OE1 GLU A 745 5.019 8.543 10.849 1.00 0.00 O ATOM 62 OE2 GLU A 745 4.457 9.440 8.922 1.00 0.00 O ATOM 0 H GLU A 745 6.564 3.599 8.566 1.00 0.00 H new ATOM 0 HA GLU A 745 4.108 4.925 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.553 5.407 10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 745 5.895 6.381 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 745 3.757 7.182 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.022 6.945 9.751 1.00 0.00 H new ATOM 69 N ASP A 746 7.321 5.673 7.648 1.00 0.00 N ATOM 70 CA ASP A 746 8.342 6.216 6.764 1.00 0.00 C ATOM 71 C ASP A 746 9.437 5.185 6.523 1.00 0.00 C ATOM 72 O ASP A 746 10.377 5.058 7.308 1.00 0.00 O ATOM 73 CB ASP A 746 8.943 7.490 7.361 1.00 0.00 C ATOM 74 CG ASP A 746 8.332 8.746 6.771 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.125 8.724 6.448 1.00 0.00 O ATOM 76 OD2 ASP A 746 9.060 9.751 6.630 1.00 0.00 O ATOM 0 H ASP A 746 7.678 5.301 8.528 1.00 0.00 H new ATOM 0 HA ASP A 746 7.876 6.463 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 746 8.793 7.488 8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.019 7.497 7.189 1.00 0.00 H new ATOM 81 N ASP A 747 9.303 4.455 5.425 1.00 0.00 N ATOM 82 CA ASP A 747 10.267 3.431 5.051 1.00 0.00 C ATOM 83 C ASP A 747 10.836 3.720 3.665 1.00 0.00 C ATOM 84 O ASP A 747 10.116 4.188 2.782 1.00 0.00 O ATOM 85 CB ASP A 747 9.603 2.051 5.069 1.00 0.00 C ATOM 86 CG ASP A 747 10.585 0.923 4.817 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.055 0.791 3.667 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.882 0.170 5.769 1.00 0.00 O ATOM 0 H ASP A 747 8.527 4.555 4.771 1.00 0.00 H new ATOM 0 HA ASP A 747 11.083 3.440 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.120 1.898 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.819 2.020 4.312 1.00 0.00 H new ATOM 93 N PRO A 748 12.137 3.446 3.450 1.00 0.00 N ATOM 94 CA PRO A 748 12.799 3.676 2.164 1.00 0.00 C ATOM 95 C PRO A 748 11.912 3.386 0.954 1.00 0.00 C ATOM 96 O PRO A 748 12.097 3.978 -0.110 1.00 0.00 O ATOM 97 CB PRO A 748 13.963 2.692 2.221 1.00 0.00 C ATOM 98 CG PRO A 748 14.345 2.662 3.661 1.00 0.00 C ATOM 99 CD PRO A 748 13.075 2.888 4.447 1.00 0.00 C ATOM 0 HA PRO A 748 13.083 4.720 2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.668 1.704 1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.793 3.020 1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.798 1.706 3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.081 3.434 3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.698 1.959 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.235 3.578 5.276 1.00 0.00 H new ATOM 107 N LEU A 749 10.959 2.469 1.107 1.00 0.00 N ATOM 108 CA LEU A 749 10.074 2.117 0.003 1.00 0.00 C ATOM 109 C LEU A 749 8.600 2.381 0.318 1.00 0.00 C ATOM 110 O LEU A 749 7.776 2.445 -0.596 1.00 0.00 O ATOM 111 CB LEU A 749 10.274 0.645 -0.360 1.00 0.00 C ATOM 112 CG LEU A 749 11.671 0.296 -0.874 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.936 -1.197 -0.748 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.832 0.753 -2.316 1.00 0.00 C ATOM 0 H LEU A 749 10.782 1.962 1.974 1.00 0.00 H new ATOM 0 HA LEU A 749 10.336 2.755 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.063 0.036 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.543 0.370 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 749 12.405 0.820 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.936 -1.422 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.863 -1.492 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.199 -1.748 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.831 0.498 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 749 11.089 0.256 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.691 1.832 -2.373 1.00 0.00 H new ATOM 126 N TYR A 750 8.256 2.544 1.597 1.00 0.00 N ATOM 127 CA TYR A 750 6.860 2.795 1.964 1.00 0.00 C ATOM 128 C TYR A 750 6.298 3.965 1.177 1.00 0.00 C ATOM 129 O TYR A 750 5.236 3.860 0.582 1.00 0.00 O ATOM 130 CB TYR A 750 6.707 3.072 3.455 1.00 0.00 C ATOM 131 CG TYR A 750 5.277 3.365 3.873 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.394 2.332 4.155 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.818 4.673 4.002 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.095 2.588 4.550 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.520 4.937 4.404 1.00 0.00 C ATOM 136 CZ TYR A 750 2.663 3.889 4.675 1.00 0.00 C ATOM 137 OH TYR A 750 1.371 4.144 5.075 1.00 0.00 O ATOM 0 H TYR A 750 8.908 2.508 2.381 1.00 0.00 H new ATOM 0 HA TYR A 750 6.302 1.891 1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.072 2.211 4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.337 3.919 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.728 1.309 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.485 5.494 3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.421 1.771 4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.180 5.957 4.505 1.00 0.00 H new ATOM 0 HH TYR A 750 1.254 5.108 5.207 1.00 0.00 H new ATOM 147 N ASP A 751 7.014 5.082 1.172 1.00 0.00 N ATOM 148 CA ASP A 751 6.558 6.253 0.441 1.00 0.00 C ATOM 149 C ASP A 751 6.253 5.870 -1.001 1.00 0.00 C ATOM 150 O ASP A 751 5.301 6.371 -1.601 1.00 0.00 O ATOM 151 CB ASP A 751 7.615 7.358 0.476 1.00 0.00 C ATOM 152 CG ASP A 751 7.128 8.641 -0.170 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.040 9.120 0.210 1.00 0.00 O ATOM 154 OD2 ASP A 751 7.835 9.164 -1.057 1.00 0.00 O ATOM 0 H ASP A 751 7.902 5.200 1.660 1.00 0.00 H new ATOM 0 HA ASP A 751 5.652 6.630 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.894 7.558 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.514 7.014 -0.036 1.00 0.00 H new ATOM 159 N GLU A 752 7.052 4.956 -1.543 1.00 0.00 N ATOM 160 CA GLU A 752 6.850 4.480 -2.902 1.00 0.00 C ATOM 161 C GLU A 752 5.601 3.607 -2.975 1.00 0.00 C ATOM 162 O GLU A 752 4.810 3.713 -3.909 1.00 0.00 O ATOM 163 CB GLU A 752 8.071 3.704 -3.387 1.00 0.00 C ATOM 164 CG GLU A 752 8.387 3.919 -4.857 1.00 0.00 C ATOM 165 CD GLU A 752 9.825 3.581 -5.199 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.171 2.381 -5.187 1.00 0.00 O ATOM 167 OE2 GLU A 752 10.604 4.516 -5.479 1.00 0.00 O ATOM 0 H GLU A 752 7.844 4.532 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 752 6.712 5.343 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.936 3.996 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.908 2.641 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 752 7.720 3.305 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 752 8.190 4.958 -5.119 1.00 0.00 H new ATOM 174 N ALA A 753 5.430 2.750 -1.969 1.00 0.00 N ATOM 175 CA ALA A 753 4.272 1.863 -1.903 1.00 0.00 C ATOM 176 C ALA A 753 2.994 2.683 -1.793 1.00 0.00 C ATOM 177 O ALA A 753 2.073 2.531 -2.591 1.00 0.00 O ATOM 178 CB ALA A 753 4.401 0.908 -0.725 1.00 0.00 C ATOM 0 H ALA A 753 6.080 2.652 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 753 4.228 1.271 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.530 0.254 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.302 0.306 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.463 1.479 0.201 1.00 0.00 H new ATOM 184 N VAL A 754 2.962 3.569 -0.804 1.00 0.00 N ATOM 185 CA VAL A 754 1.823 4.445 -0.584 1.00 0.00 C ATOM 186 C VAL A 754 1.536 5.241 -1.847 1.00 0.00 C ATOM 187 O VAL A 754 0.384 5.406 -2.248 1.00 0.00 O ATOM 188 CB VAL A 754 2.113 5.402 0.589 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.215 6.627 0.566 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.967 4.661 1.899 1.00 0.00 C ATOM 0 H VAL A 754 3.722 3.698 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 754 0.950 3.841 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 754 3.138 5.758 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.457 7.271 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.370 7.175 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.173 6.315 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.173 5.340 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.951 4.277 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.672 3.830 1.928 1.00 0.00 H new ATOM 200 N ARG A 755 2.603 5.704 -2.481 1.00 0.00 N ATOM 201 CA ARG A 755 2.486 6.452 -3.718 1.00 0.00 C ATOM 202 C ARG A 755 1.934 5.542 -4.805 1.00 0.00 C ATOM 203 O ARG A 755 1.178 5.972 -5.673 1.00 0.00 O ATOM 204 CB ARG A 755 3.852 7.003 -4.133 1.00 0.00 C ATOM 205 CG ARG A 755 3.790 7.971 -5.303 1.00 0.00 C ATOM 206 CD ARG A 755 4.733 7.555 -6.423 1.00 0.00 C ATOM 207 NE ARG A 755 6.080 8.092 -6.235 1.00 0.00 N ATOM 208 CZ ARG A 755 6.578 9.126 -6.914 1.00 0.00 C ATOM 209 NH1 ARG A 755 5.844 9.755 -7.824 1.00 0.00 N ATOM 210 NH2 ARG A 755 7.817 9.534 -6.680 1.00 0.00 N ATOM 0 H ARG A 755 3.561 5.573 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 755 1.806 7.291 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.305 7.507 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.505 6.171 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 755 2.770 8.018 -5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 755 4.049 8.973 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 755 4.780 6.467 -6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 755 4.336 7.900 -7.378 1.00 0.00 H new ATOM 0 HE ARG A 755 6.678 7.647 -5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 755 4.889 9.448 -8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 755 6.235 10.545 -8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 755 8.388 9.057 -5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 755 8.200 10.325 -7.198 1.00 0.00 H new ATOM 224 N PHE A 756 2.330 4.273 -4.742 1.00 0.00 N ATOM 225 CA PHE A 756 1.896 3.279 -5.709 1.00 0.00 C ATOM 226 C PHE A 756 0.410 2.951 -5.543 1.00 0.00 C ATOM 227 O PHE A 756 -0.330 2.903 -6.524 1.00 0.00 O ATOM 228 CB PHE A 756 2.744 2.011 -5.552 1.00 0.00 C ATOM 229 CG PHE A 756 2.063 0.756 -6.008 1.00 0.00 C ATOM 230 CD1 PHE A 756 2.072 0.398 -7.344 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.417 -0.061 -5.101 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.450 -0.759 -7.768 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.792 -1.218 -5.516 1.00 0.00 C ATOM 234 CZ PHE A 756 0.808 -1.568 -6.852 1.00 0.00 C ATOM 0 H PHE A 756 2.956 3.911 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 756 2.032 3.687 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.669 2.134 -6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 756 3.021 1.900 -4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.571 1.031 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.401 0.209 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.466 -1.031 -8.813 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.291 -1.850 -4.797 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.319 -2.473 -7.180 1.00 0.00 H new ATOM 244 N VAL A 757 -0.025 2.730 -4.303 1.00 0.00 N ATOM 245 CA VAL A 757 -1.416 2.412 -4.036 1.00 0.00 C ATOM 246 C VAL A 757 -2.304 3.629 -4.265 1.00 0.00 C ATOM 247 O VAL A 757 -3.419 3.512 -4.776 1.00 0.00 O ATOM 248 CB VAL A 757 -1.600 1.907 -2.594 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.050 1.524 -2.345 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.674 0.729 -2.321 1.00 0.00 C ATOM 0 H VAL A 757 0.568 2.766 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.709 1.622 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.339 2.713 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.162 1.169 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.688 2.394 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.341 0.734 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.817 0.384 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.903 -0.082 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.361 1.041 -2.458 1.00 0.00 H new ATOM 260 N THR A 758 -1.802 4.795 -3.883 1.00 0.00 N ATOM 261 CA THR A 758 -2.542 6.039 -4.041 1.00 0.00 C ATOM 262 C THR A 758 -2.757 6.369 -5.515 1.00 0.00 C ATOM 263 O THR A 758 -3.841 6.795 -5.914 1.00 0.00 O ATOM 264 CB THR A 758 -1.794 7.180 -3.357 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.432 7.191 -3.744 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.842 7.103 -1.847 1.00 0.00 C ATOM 0 H THR A 758 -0.881 4.905 -3.459 1.00 0.00 H new ATOM 0 HA THR A 758 -3.519 5.914 -3.574 1.00 0.00 H new ATOM 0 HB THR A 758 -2.301 8.091 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 758 0.113 6.788 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.292 7.943 -1.422 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.879 7.143 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.390 6.168 -1.516 1.00 0.00 H new ATOM 274 N GLU A 759 -1.716 6.175 -6.319 1.00 0.00 N ATOM 275 CA GLU A 759 -1.791 6.458 -7.749 1.00 0.00 C ATOM 276 C GLU A 759 -2.544 5.359 -8.495 1.00 0.00 C ATOM 277 O GLU A 759 -3.409 5.641 -9.324 1.00 0.00 O ATOM 278 CB GLU A 759 -0.386 6.617 -8.334 1.00 0.00 C ATOM 279 CG GLU A 759 -0.238 7.831 -9.237 1.00 0.00 C ATOM 280 CD GLU A 759 0.925 7.701 -10.201 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.956 7.111 -9.813 1.00 0.00 O ATOM 282 OE2 GLU A 759 0.807 8.189 -11.344 1.00 0.00 O ATOM 0 H GLU A 759 -0.811 5.823 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.340 7.391 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 759 0.332 6.692 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.133 5.720 -8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.159 7.974 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -0.099 8.721 -8.623 1.00 0.00 H new ATOM 289 N SER A 760 -2.207 4.105 -8.201 1.00 0.00 N ATOM 290 CA SER A 760 -2.855 2.970 -8.854 1.00 0.00 C ATOM 291 C SER A 760 -4.268 2.754 -8.311 1.00 0.00 C ATOM 292 O SER A 760 -5.041 1.975 -8.865 1.00 0.00 O ATOM 293 CB SER A 760 -2.013 1.696 -8.677 1.00 0.00 C ATOM 294 OG SER A 760 -1.933 1.298 -7.317 1.00 0.00 O ATOM 0 H SER A 760 -1.493 3.850 -7.519 1.00 0.00 H new ATOM 0 HA SER A 760 -2.933 3.194 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.448 0.889 -9.266 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.009 1.868 -9.064 1.00 0.00 H new ATOM 0 HG SER A 760 -1.100 1.636 -6.926 1.00 0.00 H new ATOM 300 N ARG A 761 -4.600 3.450 -7.225 1.00 0.00 N ATOM 301 CA ARG A 761 -5.920 3.327 -6.617 1.00 0.00 C ATOM 302 C ARG A 761 -6.210 1.875 -6.253 1.00 0.00 C ATOM 303 O ARG A 761 -7.360 1.436 -6.260 1.00 0.00 O ATOM 304 CB ARG A 761 -6.997 3.856 -7.568 1.00 0.00 C ATOM 305 CG ARG A 761 -7.423 5.285 -7.269 1.00 0.00 C ATOM 306 CD ARG A 761 -6.299 6.272 -7.545 1.00 0.00 C ATOM 307 NE ARG A 761 -6.619 7.169 -8.654 1.00 0.00 N ATOM 308 CZ ARG A 761 -6.892 8.466 -8.515 1.00 0.00 C ATOM 309 NH1 ARG A 761 -6.898 9.033 -7.314 1.00 0.00 N ATOM 310 NH2 ARG A 761 -7.165 9.201 -9.584 1.00 0.00 N ATOM 0 H ARG A 761 -3.975 4.102 -6.751 1.00 0.00 H new ATOM 0 HA ARG A 761 -5.933 3.923 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -6.625 3.803 -8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -7.870 3.206 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -8.291 5.542 -7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.729 5.364 -6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -6.104 6.860 -6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -5.384 5.725 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 761 -6.634 6.777 -9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -6.692 8.475 -6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -7.108 10.027 -7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -7.166 8.774 -10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -7.374 10.194 -9.480 1.00 0.00 H new ATOM 324 N ARG A 762 -5.153 1.136 -5.938 1.00 0.00 N ATOM 325 CA ARG A 762 -5.274 -0.269 -5.574 1.00 0.00 C ATOM 326 C ARG A 762 -4.239 -0.639 -4.519 1.00 0.00 C ATOM 327 O ARG A 762 -3.084 -0.218 -4.595 1.00 0.00 O ATOM 328 CB ARG A 762 -5.093 -1.157 -6.807 1.00 0.00 C ATOM 329 CG ARG A 762 -6.093 -0.878 -7.918 1.00 0.00 C ATOM 330 CD ARG A 762 -5.567 -1.341 -9.268 1.00 0.00 C ATOM 331 NE ARG A 762 -4.718 -0.332 -9.898 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.724 -0.059 -11.202 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.523 -0.723 -12.029 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.924 0.884 -11.683 1.00 0.00 N ATOM 0 H ARG A 762 -4.197 1.490 -5.928 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.271 -0.429 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -4.084 -1.020 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -5.180 -2.201 -6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -7.033 -1.385 -7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -6.308 0.190 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.000 -2.263 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.406 -1.571 -9.925 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.081 0.196 -9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.140 -1.450 -11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.520 -0.506 -13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -3.306 1.398 -11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.927 1.095 -12.681 1.00 0.00 H new ATOM 348 N ALA A 763 -4.655 -1.426 -3.536 1.00 0.00 N ATOM 349 CA ALA A 763 -3.769 -1.846 -2.473 1.00 0.00 C ATOM 350 C ALA A 763 -3.602 -3.359 -2.467 1.00 0.00 C ATOM 351 O ALA A 763 -4.341 -4.075 -1.792 1.00 0.00 O ATOM 352 CB ALA A 763 -4.314 -1.365 -1.140 1.00 0.00 C ATOM 0 H ALA A 763 -5.607 -1.785 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.786 -1.405 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.646 -1.681 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.383 -0.277 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.304 -1.791 -0.977 1.00 0.00 H new ATOM 358 N SER A 764 -2.613 -3.837 -3.208 1.00 0.00 N ATOM 359 CA SER A 764 -2.327 -5.261 -3.277 1.00 0.00 C ATOM 360 C SER A 764 -0.837 -5.489 -3.125 1.00 0.00 C ATOM 361 O SER A 764 -0.042 -5.012 -3.931 1.00 0.00 O ATOM 362 CB SER A 764 -2.823 -5.848 -4.600 1.00 0.00 C ATOM 363 OG SER A 764 -4.175 -6.256 -4.500 1.00 0.00 O ATOM 0 H SER A 764 -1.993 -3.256 -3.772 1.00 0.00 H new ATOM 0 HA SER A 764 -2.851 -5.765 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.721 -5.106 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.202 -6.699 -4.879 1.00 0.00 H new ATOM 0 HG SER A 764 -4.469 -6.626 -5.358 1.00 0.00 H new ATOM 369 N ILE A 765 -0.465 -6.208 -2.080 1.00 0.00 N ATOM 370 CA ILE A 765 0.937 -6.484 -1.805 1.00 0.00 C ATOM 371 C ILE A 765 1.658 -7.018 -3.036 1.00 0.00 C ATOM 372 O ILE A 765 2.753 -6.565 -3.369 1.00 0.00 O ATOM 373 CB ILE A 765 1.107 -7.480 -0.649 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.207 -7.100 0.532 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.562 -7.514 -0.225 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.077 -8.188 1.575 1.00 0.00 C ATOM 0 H ILE A 765 -1.115 -6.613 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 765 1.383 -5.532 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 765 0.810 -8.473 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.604 -6.202 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.785 -6.850 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.685 -8.221 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.179 -7.825 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.869 -6.521 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.575 -7.845 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.349 -9.081 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 765 1.061 -8.422 1.981 1.00 0.00 H new ATOM 388 N SER A 766 1.042 -7.980 -3.712 1.00 0.00 N ATOM 389 CA SER A 766 1.634 -8.564 -4.908 1.00 0.00 C ATOM 390 C SER A 766 1.875 -7.491 -5.964 1.00 0.00 C ATOM 391 O SER A 766 2.896 -7.494 -6.654 1.00 0.00 O ATOM 392 CB SER A 766 0.730 -9.662 -5.463 1.00 0.00 C ATOM 393 OG SER A 766 1.108 -10.020 -6.780 1.00 0.00 O ATOM 0 H SER A 766 0.136 -8.371 -3.453 1.00 0.00 H new ATOM 0 HA SER A 766 2.594 -9.004 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.779 -10.538 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.305 -9.321 -5.459 1.00 0.00 H new ATOM 0 HG SER A 766 0.514 -10.726 -7.110 1.00 0.00 H new ATOM 399 N ALA A 767 0.935 -6.564 -6.074 1.00 0.00 N ATOM 400 CA ALA A 767 1.050 -5.476 -7.034 1.00 0.00 C ATOM 401 C ALA A 767 2.101 -4.472 -6.574 1.00 0.00 C ATOM 402 O ALA A 767 2.844 -3.922 -7.386 1.00 0.00 O ATOM 403 CB ALA A 767 -0.297 -4.800 -7.231 1.00 0.00 C ATOM 0 H ALA A 767 0.085 -6.543 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 767 1.368 -5.886 -7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.195 -3.989 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.018 -5.527 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.645 -4.398 -6.279 1.00 0.00 H new ATOM 409 N VAL A 768 2.170 -4.251 -5.264 1.00 0.00 N ATOM 410 CA VAL A 768 3.149 -3.329 -4.703 1.00 0.00 C ATOM 411 C VAL A 768 4.554 -3.858 -4.932 1.00 0.00 C ATOM 412 O VAL A 768 5.431 -3.132 -5.382 1.00 0.00 O ATOM 413 CB VAL A 768 2.952 -3.105 -3.190 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.920 -2.051 -2.679 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.528 -2.692 -2.882 1.00 0.00 C ATOM 0 H VAL A 768 1.563 -4.696 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 768 3.006 -2.375 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 768 3.154 -4.048 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.768 -1.905 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.944 -2.380 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.744 -1.111 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.417 -2.541 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.297 -1.764 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.843 -3.474 -3.211 1.00 0.00 H new ATOM 425 N GLN A 769 4.761 -5.132 -4.619 1.00 0.00 N ATOM 426 CA GLN A 769 6.067 -5.747 -4.796 1.00 0.00 C ATOM 427 C GLN A 769 6.433 -5.809 -6.271 1.00 0.00 C ATOM 428 O GLN A 769 7.604 -5.688 -6.633 1.00 0.00 O ATOM 429 CB GLN A 769 6.104 -7.146 -4.172 1.00 0.00 C ATOM 430 CG GLN A 769 5.132 -8.127 -4.803 1.00 0.00 C ATOM 431 CD GLN A 769 5.764 -9.473 -5.101 1.00 0.00 C ATOM 432 OE1 GLN A 769 6.191 -10.171 -4.057 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.869 -9.880 -6.259 1.00 0.00 N flip ATOM 0 H GLN A 769 4.045 -5.754 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 769 6.804 -5.129 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.115 -7.545 -4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.883 -7.064 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.282 -8.270 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.742 -7.701 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.527 -9.310 -7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.298 -10.787 -6.444 1.00 0.00 H new ATOM 442 N ARG A 770 5.424 -5.990 -7.115 1.00 0.00 N ATOM 443 CA ARG A 770 5.630 -6.061 -8.554 1.00 0.00 C ATOM 444 C ARG A 770 5.986 -4.690 -9.126 1.00 0.00 C ATOM 445 O ARG A 770 6.857 -4.573 -9.989 1.00 0.00 O ATOM 446 CB ARG A 770 4.369 -6.606 -9.229 1.00 0.00 C ATOM 447 CG ARG A 770 4.472 -8.074 -9.605 1.00 0.00 C ATOM 448 CD ARG A 770 3.507 -8.433 -10.722 1.00 0.00 C ATOM 449 NE ARG A 770 3.821 -9.729 -11.319 1.00 0.00 N ATOM 450 CZ ARG A 770 3.276 -10.177 -12.448 1.00 0.00 C ATOM 451 NH1 ARG A 770 2.389 -9.437 -13.103 1.00 0.00 N ATOM 452 NH2 ARG A 770 3.619 -11.365 -12.923 1.00 0.00 N ATOM 0 H ARG A 770 4.451 -6.090 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 770 6.465 -6.734 -8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.520 -6.469 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 770 4.165 -6.022 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.492 -8.300 -9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.263 -8.690 -8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.490 -8.451 -10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.539 -7.662 -11.491 1.00 0.00 H new ATOM 0 HE ARG A 770 4.498 -10.326 -10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 770 2.123 -8.521 -12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 770 1.974 -9.784 -13.968 1.00 0.00 H new ATOM 0 HH21 ARG A 770 4.301 -11.936 -12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 770 3.201 -11.708 -13.788 1.00 0.00 H new ATOM 466 N LYS A 771 5.301 -3.655 -8.647 1.00 0.00 N ATOM 467 CA LYS A 771 5.538 -2.292 -9.118 1.00 0.00 C ATOM 468 C LYS A 771 6.788 -1.680 -8.483 1.00 0.00 C ATOM 469 O LYS A 771 7.520 -0.934 -9.133 1.00 0.00 O ATOM 470 CB LYS A 771 4.315 -1.418 -8.833 1.00 0.00 C ATOM 471 CG LYS A 771 3.934 -0.515 -9.996 1.00 0.00 C ATOM 472 CD LYS A 771 4.384 0.916 -9.757 1.00 0.00 C ATOM 473 CE LYS A 771 3.438 1.913 -10.407 1.00 0.00 C ATOM 474 NZ LYS A 771 4.093 3.232 -10.633 1.00 0.00 N ATOM 0 H LYS A 771 4.577 -3.733 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 771 5.706 -2.337 -10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.468 -2.059 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.514 -0.803 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.385 -0.891 -10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.854 -0.539 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 771 4.436 1.108 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 771 5.389 1.054 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 771 3.087 1.514 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.560 2.047 -9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 3.416 3.884 -11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 4.405 3.625 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 4.916 3.109 -11.257 1.00 0.00 H new ATOM 488 N LEU A 772 7.026 -1.997 -7.215 1.00 0.00 N ATOM 489 CA LEU A 772 8.187 -1.473 -6.498 1.00 0.00 C ATOM 490 C LEU A 772 9.396 -2.394 -6.611 1.00 0.00 C ATOM 491 O LEU A 772 10.497 -2.027 -6.201 1.00 0.00 O ATOM 492 CB LEU A 772 7.857 -1.264 -5.018 1.00 0.00 C ATOM 493 CG LEU A 772 7.671 0.192 -4.591 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.200 0.569 -4.569 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.299 0.417 -3.224 1.00 0.00 C ATOM 0 H LEU A 772 6.432 -2.614 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 772 8.437 -0.519 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.945 -1.813 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.655 -1.702 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 772 8.170 0.831 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 772 6.096 1.610 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.776 0.440 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.671 -0.072 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.162 1.457 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.822 -0.235 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.364 0.191 -3.271 1.00 0.00 H new ATOM 507 N LYS A 773 9.194 -3.595 -7.137 1.00 0.00 N ATOM 508 CA LYS A 773 10.285 -4.551 -7.257 1.00 0.00 C ATOM 509 C LYS A 773 10.820 -4.889 -5.871 1.00 0.00 C ATOM 510 O LYS A 773 12.026 -5.018 -5.668 1.00 0.00 O ATOM 511 CB LYS A 773 11.410 -3.984 -8.129 1.00 0.00 C ATOM 512 CG LYS A 773 11.085 -3.969 -9.613 1.00 0.00 C ATOM 513 CD LYS A 773 12.295 -3.579 -10.445 1.00 0.00 C ATOM 514 CE LYS A 773 12.741 -2.156 -10.150 1.00 0.00 C ATOM 515 NZ LYS A 773 13.611 -1.612 -11.230 1.00 0.00 N ATOM 0 H LYS A 773 8.294 -3.927 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 773 9.907 -5.456 -7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.632 -2.967 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.313 -4.573 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.734 -4.954 -9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 773 10.272 -3.268 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 773 13.115 -4.268 -10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 773 12.055 -3.674 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 773 11.865 -1.518 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 773 13.280 -2.133 -9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.894 -0.640 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 14.459 -2.206 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 13.088 -1.610 -12.129 1.00 0.00 H new ATOM 529 N ILE A 774 9.901 -5.029 -4.917 1.00 0.00 N ATOM 530 CA ILE A 774 10.267 -5.348 -3.542 1.00 0.00 C ATOM 531 C ILE A 774 9.800 -6.752 -3.178 1.00 0.00 C ATOM 532 O ILE A 774 9.296 -7.486 -4.029 1.00 0.00 O ATOM 533 CB ILE A 774 9.667 -4.337 -2.534 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.154 -4.228 -2.709 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.315 -2.973 -2.698 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.485 -3.275 -1.736 1.00 0.00 C ATOM 0 H ILE A 774 8.898 -4.926 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 774 11.354 -5.291 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 774 9.871 -4.702 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.939 -3.901 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.713 -5.218 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.881 -2.275 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.387 -3.056 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 774 10.142 -2.608 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.412 -3.255 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.666 -3.611 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.896 -2.274 -1.867 1.00 0.00 H new ATOM 548 N GLY A 775 9.971 -7.124 -1.917 1.00 0.00 N ATOM 549 CA GLY A 775 9.560 -8.442 -1.476 1.00 0.00 C ATOM 550 C GLY A 775 8.119 -8.467 -1.011 1.00 0.00 C ATOM 551 O GLY A 775 7.591 -7.452 -0.562 1.00 0.00 O ATOM 0 H GLY A 775 10.386 -6.538 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.689 -9.153 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.208 -8.770 -0.663 1.00 0.00 H new ATOM 555 N TYR A 776 7.480 -9.628 -1.115 1.00 0.00 N ATOM 556 CA TYR A 776 6.091 -9.772 -0.697 1.00 0.00 C ATOM 557 C TYR A 776 5.927 -9.378 0.767 1.00 0.00 C ATOM 558 O TYR A 776 5.011 -8.637 1.124 1.00 0.00 O ATOM 559 CB TYR A 776 5.619 -11.211 -0.910 1.00 0.00 C ATOM 560 CG TYR A 776 4.188 -11.447 -0.483 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.865 -11.620 0.856 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.162 -11.495 -1.419 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.559 -11.833 1.252 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.853 -11.708 -1.030 1.00 0.00 C ATOM 565 CZ TYR A 776 1.557 -11.877 0.306 1.00 0.00 C ATOM 566 OH TYR A 776 0.254 -12.088 0.697 1.00 0.00 O ATOM 0 H TYR A 776 7.901 -10.480 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 776 5.479 -9.106 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.722 -11.466 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.271 -11.885 -0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.647 -11.588 1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.391 -11.364 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.324 -11.964 2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 776 1.066 -11.742 -1.769 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.328 -12.090 -0.091 1.00 0.00 H new ATOM 576 N ASN A 777 6.826 -9.876 1.609 1.00 0.00 N ATOM 577 CA ASN A 777 6.790 -9.575 3.035 1.00 0.00 C ATOM 578 C ASN A 777 6.992 -8.082 3.277 1.00 0.00 C ATOM 579 O ASN A 777 6.247 -7.460 4.034 1.00 0.00 O ATOM 580 CB ASN A 777 7.871 -10.372 3.771 1.00 0.00 C ATOM 581 CG ASN A 777 7.538 -11.850 3.866 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.857 -12.285 4.795 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.023 -12.631 2.908 1.00 0.00 N ATOM 0 H ASN A 777 7.590 -10.491 1.328 1.00 0.00 H new ATOM 0 HA ASN A 777 5.811 -9.860 3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.823 -10.250 3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 777 7.998 -9.966 4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 777 7.836 -13.634 2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 777 8.583 -12.228 2.156 1.00 0.00 H new ATOM 590 N ARG A 778 8.004 -7.514 2.630 1.00 0.00 N ATOM 591 CA ARG A 778 8.305 -6.097 2.775 1.00 0.00 C ATOM 592 C ARG A 778 7.123 -5.243 2.327 1.00 0.00 C ATOM 593 O ARG A 778 6.676 -4.352 3.050 1.00 0.00 O ATOM 594 CB ARG A 778 9.556 -5.758 1.965 1.00 0.00 C ATOM 595 CG ARG A 778 9.813 -4.269 1.807 1.00 0.00 C ATOM 596 CD ARG A 778 11.042 -4.011 0.956 1.00 0.00 C ATOM 597 NE ARG A 778 11.903 -2.975 1.528 1.00 0.00 N ATOM 598 CZ ARG A 778 13.140 -3.190 1.974 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.672 -4.406 1.933 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.851 -2.182 2.459 1.00 0.00 N ATOM 0 H ARG A 778 8.630 -8.015 1.999 1.00 0.00 H new ATOM 0 HA ARG A 778 8.491 -5.879 3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.421 -6.215 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.467 -6.207 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.945 -3.794 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.945 -3.814 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.610 -4.936 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.732 -3.712 -0.045 1.00 0.00 H new ATOM 0 HE ARG A 778 11.532 -2.027 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.133 -5.186 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.620 -4.560 2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.451 -1.244 2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.798 -2.344 2.801 1.00 0.00 H new ATOM 614 N ALA A 779 6.613 -5.532 1.137 1.00 0.00 N ATOM 615 CA ALA A 779 5.474 -4.802 0.598 1.00 0.00 C ATOM 616 C ALA A 779 4.293 -4.881 1.556 1.00 0.00 C ATOM 617 O ALA A 779 3.694 -3.868 1.906 1.00 0.00 O ATOM 618 CB ALA A 779 5.090 -5.349 -0.767 1.00 0.00 C ATOM 0 H ALA A 779 6.970 -6.267 0.527 1.00 0.00 H new ATOM 0 HA ALA A 779 5.756 -3.756 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.237 -4.792 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.933 -5.246 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.824 -6.402 -0.675 1.00 0.00 H new ATOM 624 N ALA A 780 3.973 -6.100 1.984 1.00 0.00 N ATOM 625 CA ALA A 780 2.873 -6.329 2.913 1.00 0.00 C ATOM 626 C ALA A 780 3.053 -5.501 4.178 1.00 0.00 C ATOM 627 O ALA A 780 2.103 -4.903 4.681 1.00 0.00 O ATOM 628 CB ALA A 780 2.789 -7.805 3.272 1.00 0.00 C ATOM 0 H ALA A 780 4.464 -6.948 1.699 1.00 0.00 H new ATOM 0 HA ALA A 780 1.947 -6.024 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.964 -7.964 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.621 -8.390 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.722 -8.119 3.739 1.00 0.00 H new ATOM 634 N ARG A 781 4.282 -5.465 4.685 1.00 0.00 N ATOM 635 CA ARG A 781 4.581 -4.701 5.887 1.00 0.00 C ATOM 636 C ARG A 781 4.231 -3.233 5.675 1.00 0.00 C ATOM 637 O ARG A 781 3.624 -2.594 6.537 1.00 0.00 O ATOM 638 CB ARG A 781 6.055 -4.856 6.261 1.00 0.00 C ATOM 639 CG ARG A 781 6.369 -6.193 6.916 1.00 0.00 C ATOM 640 CD ARG A 781 7.821 -6.281 7.360 1.00 0.00 C ATOM 641 NE ARG A 781 8.121 -7.570 7.984 1.00 0.00 N ATOM 642 CZ ARG A 781 9.352 -7.989 8.269 1.00 0.00 C ATOM 643 NH1 ARG A 781 10.402 -7.226 7.997 1.00 0.00 N ATOM 644 NH2 ARG A 781 9.533 -9.178 8.834 1.00 0.00 N ATOM 0 H ARG A 781 5.082 -5.954 4.283 1.00 0.00 H new ATOM 0 HA ARG A 781 3.977 -5.085 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.664 -4.746 5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.338 -4.051 6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.717 -6.337 7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.154 -7.000 6.215 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.474 -6.133 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 781 8.035 -5.477 8.065 1.00 0.00 H new ATOM 0 HE ARG A 781 7.340 -8.184 8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 781 10.270 -6.311 7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 781 11.342 -7.554 8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 781 8.729 -9.768 9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 781 10.476 -9.500 9.053 1.00 0.00 H new ATOM 658 N MET A 782 4.588 -2.712 4.505 1.00 0.00 N ATOM 659 CA MET A 782 4.278 -1.332 4.166 1.00 0.00 C ATOM 660 C MET A 782 2.776 -1.190 3.992 1.00 0.00 C ATOM 661 O MET A 782 2.171 -0.214 4.424 1.00 0.00 O ATOM 662 CB MET A 782 4.994 -0.929 2.877 1.00 0.00 C ATOM 663 CG MET A 782 6.505 -0.941 2.999 1.00 0.00 C ATOM 664 SD MET A 782 7.305 -1.804 1.634 1.00 0.00 S ATOM 665 CE MET A 782 7.177 -0.570 0.345 1.00 0.00 C ATOM 0 H MET A 782 5.090 -3.224 3.780 1.00 0.00 H new ATOM 0 HA MET A 782 4.618 -0.677 4.968 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.696 -1.607 2.077 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.668 0.070 2.586 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.871 0.085 3.039 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.786 -1.416 3.939 1.00 0.00 H new ATOM 0 HE1 MET A 782 6.503 -0.926 -0.434 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.787 0.357 0.766 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.163 -0.388 -0.083 1.00 0.00 H new ATOM 675 N ILE A 783 2.185 -2.198 3.368 1.00 0.00 N ATOM 676 CA ILE A 783 0.752 -2.231 3.134 1.00 0.00 C ATOM 677 C ILE A 783 0.007 -2.138 4.467 1.00 0.00 C ATOM 678 O ILE A 783 -0.994 -1.426 4.591 1.00 0.00 O ATOM 679 CB ILE A 783 0.373 -3.521 2.358 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.704 -3.362 0.862 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.088 -3.905 2.560 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.295 -2.520 0.077 1.00 0.00 C ATOM 0 H ILE A 783 2.685 -3.013 3.011 1.00 0.00 H new ATOM 0 HA ILE A 783 0.460 -1.376 2.525 1.00 0.00 H new ATOM 0 HB ILE A 783 0.971 -4.337 2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.692 -2.911 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.760 -4.352 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.307 -4.813 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.275 -4.080 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.729 -3.097 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.018 -2.462 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.282 -2.979 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.336 -1.516 0.500 1.00 0.00 H new ATOM 694 N GLU A 784 0.526 -2.826 5.480 1.00 0.00 N ATOM 695 CA GLU A 784 -0.070 -2.774 6.807 1.00 0.00 C ATOM 696 C GLU A 784 0.042 -1.354 7.332 1.00 0.00 C ATOM 697 O GLU A 784 -0.924 -0.767 7.834 1.00 0.00 O ATOM 698 CB GLU A 784 0.639 -3.741 7.756 1.00 0.00 C ATOM 699 CG GLU A 784 -0.155 -5.004 8.015 1.00 0.00 C ATOM 700 CD GLU A 784 0.179 -5.642 9.349 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.342 -5.521 9.791 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.721 -6.261 9.953 1.00 0.00 O ATOM 0 H GLU A 784 1.351 -3.421 5.407 1.00 0.00 H new ATOM 0 HA GLU A 784 -1.117 -3.070 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.609 -4.008 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 784 0.829 -3.237 8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -1.220 -4.772 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.038 -5.720 7.216 1.00 0.00 H new ATOM 709 N ALA A 785 1.234 -0.797 7.172 1.00 0.00 N ATOM 710 CA ALA A 785 1.498 0.570 7.584 1.00 0.00 C ATOM 711 C ALA A 785 0.488 1.502 6.930 1.00 0.00 C ATOM 712 O ALA A 785 0.077 2.500 7.516 1.00 0.00 O ATOM 713 CB ALA A 785 2.916 0.972 7.219 1.00 0.00 C ATOM 0 H ALA A 785 2.035 -1.274 6.758 1.00 0.00 H new ATOM 0 HA ALA A 785 1.398 0.643 8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.096 1.999 7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.622 0.309 7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.049 0.896 6.140 1.00 0.00 H new ATOM 719 N MET A 786 0.082 1.150 5.713 1.00 0.00 N ATOM 720 CA MET A 786 -0.898 1.935 4.977 1.00 0.00 C ATOM 721 C MET A 786 -2.252 1.845 5.663 1.00 0.00 C ATOM 722 O MET A 786 -2.986 2.829 5.755 1.00 0.00 O ATOM 723 CB MET A 786 -1.012 1.440 3.535 1.00 0.00 C ATOM 724 CG MET A 786 -0.002 2.070 2.601 1.00 0.00 C ATOM 725 SD MET A 786 -0.274 1.624 0.877 1.00 0.00 S ATOM 726 CE MET A 786 1.148 0.580 0.575 1.00 0.00 C ATOM 0 H MET A 786 0.419 0.325 5.217 1.00 0.00 H new ATOM 0 HA MET A 786 -0.569 2.974 4.962 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.884 0.358 3.519 1.00 0.00 H new ATOM 0 HB3 MET A 786 -2.016 1.648 3.166 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.047 3.154 2.703 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.001 1.763 2.897 1.00 0.00 H new ATOM 0 HE1 MET A 786 0.973 -0.025 -0.315 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.030 1.202 0.424 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.308 -0.074 1.432 1.00 0.00 H new ATOM 736 N GLU A 787 -2.572 0.649 6.152 1.00 0.00 N ATOM 737 CA GLU A 787 -3.835 0.423 6.846 1.00 0.00 C ATOM 738 C GLU A 787 -3.967 1.359 8.041 1.00 0.00 C ATOM 739 O GLU A 787 -4.977 2.045 8.203 1.00 0.00 O ATOM 740 CB GLU A 787 -3.930 -1.029 7.327 1.00 0.00 C ATOM 741 CG GLU A 787 -4.656 -1.950 6.361 1.00 0.00 C ATOM 742 CD GLU A 787 -5.863 -2.620 6.990 1.00 0.00 C ATOM 743 OE1 GLU A 787 -6.512 -1.989 7.852 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.159 -3.777 6.623 1.00 0.00 O ATOM 0 H GLU A 787 -1.976 -0.175 6.080 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.644 0.624 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.924 -1.413 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.442 -1.050 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -4.975 -1.378 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -3.965 -2.714 6.005 1.00 0.00 H new ATOM 751 N MET A 788 -2.939 1.371 8.880 1.00 0.00 N ATOM 752 CA MET A 788 -2.930 2.209 10.077 1.00 0.00 C ATOM 753 C MET A 788 -2.676 3.677 9.743 1.00 0.00 C ATOM 754 O MET A 788 -3.257 4.574 10.353 1.00 0.00 O ATOM 755 CB MET A 788 -1.861 1.713 11.048 1.00 0.00 C ATOM 756 CG MET A 788 -2.268 0.467 11.815 1.00 0.00 C ATOM 757 SD MET A 788 -1.263 0.196 13.288 1.00 0.00 S ATOM 758 CE MET A 788 0.379 0.151 12.576 1.00 0.00 C ATOM 0 H MET A 788 -2.097 0.809 8.755 1.00 0.00 H new ATOM 0 HA MET A 788 -3.915 2.137 10.537 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.946 1.505 10.493 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.630 2.507 11.758 1.00 0.00 H new ATOM 0 HG2 MET A 788 -3.315 0.550 12.105 1.00 0.00 H new ATOM 0 HG3 MET A 788 -2.187 -0.400 11.160 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.093 -0.185 13.328 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.391 -0.538 11.732 1.00 0.00 H new ATOM 0 HE3 MET A 788 0.655 1.149 12.234 1.00 0.00 H new ATOM 768 N ALA A 789 -1.795 3.911 8.780 1.00 0.00 N ATOM 769 CA ALA A 789 -1.445 5.266 8.365 1.00 0.00 C ATOM 770 C ALA A 789 -2.633 5.999 7.757 1.00 0.00 C ATOM 771 O ALA A 789 -2.644 7.228 7.686 1.00 0.00 O ATOM 772 CB ALA A 789 -0.301 5.224 7.362 1.00 0.00 C ATOM 0 H ALA A 789 -1.306 3.177 8.268 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.136 5.812 9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.046 6.239 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.569 4.754 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.605 4.649 6.488 1.00 0.00 H new ATOM 778 N GLY A 790 -3.619 5.242 7.294 1.00 0.00 N ATOM 779 CA GLY A 790 -4.781 5.841 6.670 1.00 0.00 C ATOM 780 C GLY A 790 -4.603 5.962 5.170 1.00 0.00 C ATOM 781 O GLY A 790 -5.282 6.751 4.512 1.00 0.00 O ATOM 0 H GLY A 790 -3.634 4.223 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.663 5.238 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -4.957 6.828 7.098 1.00 0.00 H new ATOM 785 N VAL A 791 -3.674 5.174 4.634 1.00 0.00 N ATOM 786 CA VAL A 791 -3.380 5.180 3.210 1.00 0.00 C ATOM 787 C VAL A 791 -4.258 4.187 2.467 1.00 0.00 C ATOM 788 O VAL A 791 -4.637 4.417 1.320 1.00 0.00 O ATOM 789 CB VAL A 791 -1.897 4.854 2.964 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.578 4.836 1.476 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.018 5.857 3.694 1.00 0.00 C ATOM 0 H VAL A 791 -3.109 4.518 5.174 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.592 6.180 2.830 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.693 3.857 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.523 4.603 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.187 4.079 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.795 5.814 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.031 5.620 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.230 6.861 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.223 5.810 4.763 1.00 0.00 H new ATOM 801 N VAL A 792 -4.593 3.088 3.132 1.00 0.00 N ATOM 802 CA VAL A 792 -5.443 2.070 2.532 1.00 0.00 C ATOM 803 C VAL A 792 -6.478 1.564 3.531 1.00 0.00 C ATOM 804 O VAL A 792 -6.192 1.435 4.721 1.00 0.00 O ATOM 805 CB VAL A 792 -4.616 0.881 2.007 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.600 1.350 0.973 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.931 0.161 3.160 1.00 0.00 C ATOM 0 H VAL A 792 -4.290 2.880 4.083 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.955 2.538 1.691 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.290 0.176 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -3.026 0.496 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -4.121 1.815 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.926 2.075 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.351 -0.676 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.268 0.853 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.684 -0.210 3.856 1.00 0.00 H new ATOM 817 N THR A 793 -7.681 1.276 3.043 1.00 0.00 N ATOM 818 CA THR A 793 -8.750 0.783 3.903 1.00 0.00 C ATOM 819 C THR A 793 -8.601 -0.721 4.130 1.00 0.00 C ATOM 820 O THR A 793 -8.002 -1.420 3.313 1.00 0.00 O ATOM 821 CB THR A 793 -10.122 1.084 3.291 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.433 0.148 2.279 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.223 2.465 2.680 1.00 0.00 C ATOM 0 H THR A 793 -7.939 1.375 2.061 1.00 0.00 H new ATOM 0 HA THR A 793 -8.676 1.296 4.862 1.00 0.00 H new ATOM 0 HB THR A 793 -10.824 1.022 4.122 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.404 0.025 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.221 2.608 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 793 -10.037 3.217 3.447 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.483 2.566 1.886 1.00 0.00 H new ATOM 831 N PRO A 794 -9.141 -1.244 5.244 1.00 0.00 N ATOM 832 CA PRO A 794 -9.056 -2.673 5.563 1.00 0.00 C ATOM 833 C PRO A 794 -9.680 -3.547 4.480 1.00 0.00 C ATOM 834 O PRO A 794 -10.352 -3.049 3.577 1.00 0.00 O ATOM 835 CB PRO A 794 -9.836 -2.807 6.878 1.00 0.00 C ATOM 836 CG PRO A 794 -10.660 -1.569 6.972 1.00 0.00 C ATOM 837 CD PRO A 794 -9.871 -0.496 6.279 1.00 0.00 C ATOM 0 HA PRO A 794 -8.021 -3.006 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.464 -3.698 6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.161 -2.896 7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.631 -1.709 6.496 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -10.850 -1.304 8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.519 0.266 5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.193 0.013 6.964 1.00 0.00 H new ATOM 845 N MET A 795 -9.448 -4.850 4.577 1.00 0.00 N ATOM 846 CA MET A 795 -9.977 -5.801 3.609 1.00 0.00 C ATOM 847 C MET A 795 -11.499 -5.776 3.584 1.00 0.00 C ATOM 848 O MET A 795 -12.142 -5.328 4.533 1.00 0.00 O ATOM 849 CB MET A 795 -9.481 -7.209 3.936 1.00 0.00 C ATOM 850 CG MET A 795 -7.999 -7.272 4.271 1.00 0.00 C ATOM 851 SD MET A 795 -7.170 -8.675 3.501 1.00 0.00 S ATOM 852 CE MET A 795 -6.509 -7.910 2.023 1.00 0.00 C ATOM 0 H MET A 795 -8.894 -5.274 5.321 1.00 0.00 H new ATOM 0 HA MET A 795 -9.619 -5.512 2.621 1.00 0.00 H new ATOM 0 HB2 MET A 795 -10.052 -7.599 4.778 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.681 -7.862 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.518 -6.349 3.947 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.878 -7.332 5.353 1.00 0.00 H new ATOM 0 HE1 MET A 795 -6.453 -8.650 1.224 1.00 0.00 H new ATOM 0 HE2 MET A 795 -7.160 -7.092 1.715 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.511 -7.522 2.229 1.00 0.00 H new ATOM 862 N ASN A 796 -12.069 -6.263 2.487 1.00 0.00 N ATOM 863 CA ASN A 796 -13.517 -6.302 2.327 1.00 0.00 C ATOM 864 C ASN A 796 -14.051 -7.711 2.567 1.00 0.00 C ATOM 865 O ASN A 796 -13.282 -8.646 2.794 1.00 0.00 O ATOM 866 CB ASN A 796 -13.909 -5.825 0.928 1.00 0.00 C ATOM 867 CG ASN A 796 -14.008 -4.320 0.835 1.00 0.00 C ATOM 868 OD1 ASN A 796 -14.279 -3.638 1.823 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.787 -3.796 -0.361 1.00 0.00 N ATOM 0 H ASN A 796 -11.548 -6.637 1.694 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.959 -5.634 3.067 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -13.174 -6.183 0.207 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.867 -6.266 0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.838 -2.786 -0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.566 -4.403 -1.151 1.00 0.00 H new ATOM 876 N THR A 797 -15.370 -7.855 2.518 1.00 0.00 N ATOM 877 CA THR A 797 -16.005 -9.149 2.732 1.00 0.00 C ATOM 878 C THR A 797 -15.545 -10.165 1.690 1.00 0.00 C ATOM 879 O THR A 797 -15.527 -11.369 1.950 1.00 0.00 O ATOM 880 CB THR A 797 -17.528 -9.007 2.686 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.966 -8.684 1.376 1.00 0.00 O ATOM 882 CG2 THR A 797 -18.060 -7.945 3.625 1.00 0.00 C ATOM 0 H THR A 797 -16.020 -7.091 2.332 1.00 0.00 H new ATOM 0 HA THR A 797 -15.709 -9.510 3.717 1.00 0.00 H new ATOM 0 HB THR A 797 -17.916 -9.975 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.942 -8.600 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 797 -19.146 -7.897 3.542 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.785 -8.195 4.650 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.633 -6.978 3.360 1.00 0.00 H new ATOM 890 N ASN A 798 -15.176 -9.675 0.511 1.00 0.00 N ATOM 891 CA ASN A 798 -14.719 -10.544 -0.568 1.00 0.00 C ATOM 892 C ASN A 798 -13.203 -10.736 -0.523 1.00 0.00 C ATOM 893 O ASN A 798 -12.671 -11.668 -1.126 1.00 0.00 O ATOM 894 CB ASN A 798 -15.132 -9.967 -1.923 1.00 0.00 C ATOM 895 CG ASN A 798 -16.520 -10.396 -2.334 1.00 0.00 C ATOM 896 OD1 ASN A 798 -17.382 -10.652 -1.493 1.00 0.00 O ATOM 897 ND2 ASN A 798 -16.741 -10.475 -3.637 1.00 0.00 N ATOM 0 H ASN A 798 -15.184 -8.682 0.278 1.00 0.00 H new ATOM 0 HA ASN A 798 -15.189 -11.518 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -15.089 -8.879 -1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -14.417 -10.284 -2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -17.658 -10.758 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.994 -10.253 -4.295 1.00 0.00 H new ATOM 904 N GLY A 799 -12.512 -9.855 0.195 1.00 0.00 N ATOM 905 CA GLY A 799 -11.068 -9.958 0.300 1.00 0.00 C ATOM 906 C GLY A 799 -10.343 -8.925 -0.542 1.00 0.00 C ATOM 907 O GLY A 799 -9.221 -9.157 -0.989 1.00 0.00 O ATOM 0 H GLY A 799 -12.925 -9.074 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.775 -9.841 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.756 -10.956 -0.009 1.00 0.00 H new ATOM 911 N SER A 800 -10.985 -7.781 -0.757 1.00 0.00 N ATOM 912 CA SER A 800 -10.390 -6.710 -1.548 1.00 0.00 C ATOM 913 C SER A 800 -10.289 -5.424 -0.735 1.00 0.00 C ATOM 914 O SER A 800 -11.262 -4.987 -0.121 1.00 0.00 O ATOM 915 CB SER A 800 -11.211 -6.461 -2.814 1.00 0.00 C ATOM 916 OG SER A 800 -11.395 -7.658 -3.549 1.00 0.00 O ATOM 0 H SER A 800 -11.916 -7.572 -0.395 1.00 0.00 H new ATOM 0 HA SER A 800 -9.385 -7.021 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 800 -12.181 -6.044 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A 800 -10.708 -5.722 -3.437 1.00 0.00 H new ATOM 0 HG SER A 800 -11.924 -7.471 -4.352 1.00 0.00 H new ATOM 922 N ARG A 801 -9.103 -4.823 -0.733 1.00 0.00 N ATOM 923 CA ARG A 801 -8.874 -3.589 0.008 1.00 0.00 C ATOM 924 C ARG A 801 -9.061 -2.366 -0.879 1.00 0.00 C ATOM 925 O ARG A 801 -9.193 -2.478 -2.097 1.00 0.00 O ATOM 926 CB ARG A 801 -7.469 -3.587 0.610 1.00 0.00 C ATOM 927 CG ARG A 801 -7.416 -4.208 1.990 1.00 0.00 C ATOM 928 CD ARG A 801 -5.991 -4.444 2.470 1.00 0.00 C ATOM 929 NE ARG A 801 -5.011 -3.591 1.798 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.026 -2.954 2.427 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.865 -3.086 3.738 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.185 -2.194 1.739 1.00 0.00 N ATOM 0 H ARG A 801 -8.287 -5.171 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.610 -3.541 0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.795 -4.130 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -7.105 -2.561 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -7.931 -3.558 2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.954 -5.156 1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.942 -4.267 3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -5.727 -5.489 2.307 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.087 -3.478 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -4.499 -3.680 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.107 -2.594 4.211 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -3.293 -2.098 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.430 -1.705 2.219 1.00 0.00 H new ATOM 946 N GLU A 802 -9.067 -1.197 -0.250 1.00 0.00 N ATOM 947 CA GLU A 802 -9.233 0.063 -0.968 1.00 0.00 C ATOM 948 C GLU A 802 -8.177 1.073 -0.526 1.00 0.00 C ATOM 949 O GLU A 802 -7.257 0.734 0.217 1.00 0.00 O ATOM 950 CB GLU A 802 -10.636 0.630 -0.735 1.00 0.00 C ATOM 951 CG GLU A 802 -11.570 0.454 -1.922 1.00 0.00 C ATOM 952 CD GLU A 802 -12.973 0.060 -1.505 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.730 0.946 -1.055 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.315 -1.135 -1.627 1.00 0.00 O ATOM 0 H GLU A 802 -8.959 -1.094 0.759 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.106 -0.130 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -11.075 0.144 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.555 1.692 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.611 1.384 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.165 -0.308 -2.588 1.00 0.00 H new ATOM 961 N VAL A 803 -8.310 2.313 -0.988 1.00 0.00 N ATOM 962 CA VAL A 803 -7.358 3.361 -0.640 1.00 0.00 C ATOM 963 C VAL A 803 -8.039 4.534 0.057 1.00 0.00 C ATOM 964 O VAL A 803 -9.122 4.962 -0.341 1.00 0.00 O ATOM 965 CB VAL A 803 -6.619 3.885 -1.884 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.526 4.866 -1.486 1.00 0.00 C ATOM 967 CG2 VAL A 803 -6.043 2.727 -2.685 1.00 0.00 C ATOM 0 H VAL A 803 -9.066 2.615 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.640 2.908 0.044 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.334 4.415 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -5.016 5.225 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.969 5.710 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.809 4.367 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.523 3.114 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.342 2.169 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.850 2.068 -3.003 1.00 0.00 H new ATOM 977 N ILE A 804 -7.388 5.059 1.090 1.00 0.00 N ATOM 978 CA ILE A 804 -7.920 6.196 1.837 1.00 0.00 C ATOM 979 C ILE A 804 -7.087 7.451 1.580 1.00 0.00 C ATOM 980 O ILE A 804 -7.591 8.570 1.676 1.00 0.00 O ATOM 981 CB ILE A 804 -7.974 5.929 3.362 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.295 4.598 3.711 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.417 5.941 3.849 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.477 4.177 5.153 1.00 0.00 C ATOM 0 H ILE A 804 -6.490 4.715 1.430 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.939 6.347 1.482 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.429 6.726 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.692 3.818 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.229 4.678 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.440 5.752 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.863 6.914 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.982 5.166 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.969 3.228 5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -7.054 4.937 5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.540 4.063 5.367 1.00 0.00 H new ATOM 996 N ALA A 805 -5.811 7.256 1.253 1.00 0.00 N ATOM 997 CA ALA A 805 -4.914 8.372 0.980 1.00 0.00 C ATOM 998 C ALA A 805 -5.036 8.826 -0.474 1.00 0.00 C ATOM 999 O ALA A 805 -4.800 8.045 -1.395 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.473 7.984 1.287 1.00 0.00 C ATOM 0 H ALA A 805 -5.378 6.336 1.171 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.202 9.202 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.816 8.828 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.386 7.709 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.184 7.137 0.665 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.401 10.100 -0.703 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.547 10.649 -2.055 1.00 0.00 C ATOM 1008 C PRO A 806 -4.218 10.700 -2.802 1.00 0.00 C ATOM 1009 O PRO A 806 -3.150 10.596 -2.199 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.079 12.065 -1.818 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.656 12.398 -0.431 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.698 11.105 0.332 1.00 0.00 C ATOM 0 HA PRO A 806 -6.203 10.035 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.665 12.770 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.163 12.104 -1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.654 12.826 -0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.323 13.137 0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.962 11.086 1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.673 10.938 0.789 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.294 10.859 -4.118 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.100 10.922 -4.951 1.00 0.00 C ATOM 1022 C ALA A 807 -2.638 12.364 -5.144 1.00 0.00 C ATOM 1023 O ALA A 807 -3.453 13.287 -5.174 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.361 10.262 -6.297 1.00 0.00 C ATOM 0 H ALA A 807 -5.171 10.947 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.303 10.380 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.461 10.316 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -3.633 9.218 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.176 10.779 -6.804 1.00 0.00 H new