USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=13 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= -0.481 USER MOD Single : A 758 THR OG1 : rot -94:sc= -0.379 USER MOD Single : A 760 SER OG : rot 99:sc= -0.976 USER MOD Single : A 764 SER OG : rot -170:sc= -0.846 USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.18) 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= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 782 MET CE :methyl 167:sc= -8.01! (180deg=-8.63!) USER MOD Single : A 786 MET CE :methyl 169:sc= -4.25! (180deg=-4.36!) USER MOD Single : A 788 MET CE :methyl -165:sc=-0.00147 (180deg=-0.225) USER MOD Single : A 793 THR OG1 : rot 150:sc= -1.42 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -1.92 K(o=-1.9,f=-15!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.233 K(o=-0.23,f=-2!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.566 -0.565 7.272 1.00 0.00 N ATOM 37 CA GLY A 743 7.187 -0.410 6.849 1.00 0.00 C ATOM 38 C GLY A 743 6.274 0.005 7.987 1.00 0.00 C ATOM 39 O GLY A 743 5.355 -0.727 8.352 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.135 0.336 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.832 -1.350 6.427 1.00 0.00 H new ATOM 43 N SER A 744 6.527 1.184 8.546 1.00 0.00 N ATOM 44 CA SER A 744 5.719 1.698 9.647 1.00 0.00 C ATOM 45 C SER A 744 5.058 3.011 9.252 1.00 0.00 C ATOM 46 O SER A 744 3.859 3.206 9.454 1.00 0.00 O ATOM 47 CB SER A 744 6.583 1.897 10.894 1.00 0.00 C ATOM 48 OG SER A 744 7.572 0.888 10.995 1.00 0.00 O ATOM 0 H SER A 744 7.285 1.802 8.255 1.00 0.00 H new ATOM 0 HA SER A 744 4.941 0.969 9.873 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.060 2.876 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 744 5.953 1.883 11.783 1.00 0.00 H new ATOM 0 HG SER A 744 8.112 1.038 11.799 1.00 0.00 H new ATOM 54 N GLU A 745 5.853 3.901 8.676 1.00 0.00 N ATOM 55 CA GLU A 745 5.365 5.198 8.228 1.00 0.00 C ATOM 56 C GLU A 745 6.307 5.782 7.188 1.00 0.00 C ATOM 57 O GLU A 745 5.879 6.219 6.120 1.00 0.00 O ATOM 58 CB GLU A 745 5.219 6.162 9.405 1.00 0.00 C ATOM 59 CG GLU A 745 4.357 7.371 9.083 1.00 0.00 C ATOM 60 CD GLU A 745 3.186 7.525 10.035 1.00 0.00 C ATOM 61 OE1 GLU A 745 3.323 7.130 11.212 1.00 0.00 O ATOM 62 OE2 GLU A 745 2.134 8.039 9.603 1.00 0.00 O ATOM 0 H GLU A 745 6.847 3.747 8.507 1.00 0.00 H new ATOM 0 HA GLU A 745 4.382 5.056 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.785 5.629 10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.208 6.501 9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.971 8.271 9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.982 7.284 8.063 1.00 0.00 H new ATOM 69 N ASP A 746 7.596 5.769 7.500 1.00 0.00 N ATOM 70 CA ASP A 746 8.604 6.280 6.583 1.00 0.00 C ATOM 71 C ASP A 746 9.688 5.233 6.350 1.00 0.00 C ATOM 72 O ASP A 746 10.643 5.122 7.121 1.00 0.00 O ATOM 73 CB ASP A 746 9.224 7.566 7.132 1.00 0.00 C ATOM 74 CG ASP A 746 8.283 8.750 7.029 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.576 8.860 6.005 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.253 9.568 7.972 1.00 0.00 O ATOM 0 H ASP A 746 7.967 5.411 8.380 1.00 0.00 H new ATOM 0 HA ASP A 746 8.122 6.504 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.502 7.416 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.142 7.786 6.586 1.00 0.00 H new ATOM 81 N ASP A 747 9.527 4.473 5.276 1.00 0.00 N ATOM 82 CA ASP A 747 10.476 3.430 4.909 1.00 0.00 C ATOM 83 C ASP A 747 11.017 3.673 3.503 1.00 0.00 C ATOM 84 O ASP A 747 10.281 4.120 2.622 1.00 0.00 O ATOM 85 CB ASP A 747 9.802 2.057 4.982 1.00 0.00 C ATOM 86 CG ASP A 747 10.769 0.917 4.737 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.211 0.751 3.581 1.00 0.00 O ATOM 88 OD2 ASP A 747 11.085 0.188 5.702 1.00 0.00 O ATOM 0 H ASP A 747 8.738 4.561 4.636 1.00 0.00 H new ATOM 0 HA ASP A 747 11.309 3.454 5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.343 1.934 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.999 2.011 4.246 1.00 0.00 H new ATOM 93 N PRO A 748 12.310 3.379 3.268 1.00 0.00 N ATOM 94 CA PRO A 748 12.949 3.562 1.962 1.00 0.00 C ATOM 95 C PRO A 748 12.031 3.262 0.781 1.00 0.00 C ATOM 96 O PRO A 748 12.195 3.833 -0.297 1.00 0.00 O ATOM 97 CB PRO A 748 14.090 2.553 2.021 1.00 0.00 C ATOM 98 CG PRO A 748 14.510 2.562 3.451 1.00 0.00 C ATOM 99 CD PRO A 748 13.266 2.841 4.260 1.00 0.00 C ATOM 0 HA PRO A 748 13.253 4.596 1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.762 1.562 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.910 2.840 1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.950 1.605 3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.268 3.325 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.885 1.935 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.460 3.558 5.057 1.00 0.00 H new ATOM 107 N LEU A 749 11.074 2.358 0.972 1.00 0.00 N ATOM 108 CA LEU A 749 10.164 1.998 -0.107 1.00 0.00 C ATOM 109 C LEU A 749 8.699 2.282 0.234 1.00 0.00 C ATOM 110 O LEU A 749 7.856 2.337 -0.663 1.00 0.00 O ATOM 111 CB LEU A 749 10.339 0.518 -0.448 1.00 0.00 C ATOM 112 CG LEU A 749 11.709 0.148 -1.016 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.960 -1.347 -0.886 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.816 0.585 -2.468 1.00 0.00 C ATOM 0 H LEU A 749 10.911 1.868 1.852 1.00 0.00 H new ATOM 0 HA LEU A 749 10.417 2.619 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.164 -0.071 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.573 0.233 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 749 12.473 0.671 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.941 -1.588 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.927 -1.631 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.193 -1.894 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.797 0.314 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 749 11.043 0.089 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.685 1.665 -2.534 1.00 0.00 H new ATOM 126 N TYR A 750 8.384 2.465 1.518 1.00 0.00 N ATOM 127 CA TYR A 750 6.999 2.733 1.913 1.00 0.00 C ATOM 128 C TYR A 750 6.433 3.905 1.132 1.00 0.00 C ATOM 129 O TYR A 750 5.342 3.820 0.584 1.00 0.00 O ATOM 130 CB TYR A 750 6.880 3.014 3.408 1.00 0.00 C ATOM 131 CG TYR A 750 5.471 3.364 3.849 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.568 2.369 4.201 1.00 0.00 C ATOM 133 CD2 TYR A 750 5.053 4.688 3.930 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.287 2.680 4.614 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.776 5.007 4.350 1.00 0.00 C ATOM 136 CZ TYR A 750 2.897 3.999 4.689 1.00 0.00 C ATOM 137 OH TYR A 750 1.625 4.313 5.104 1.00 0.00 O ATOM 0 H TYR A 750 9.053 2.434 2.288 1.00 0.00 H new ATOM 0 HA TYR A 750 6.425 1.835 1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.218 2.138 3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.548 3.835 3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.873 1.334 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.737 5.479 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.595 1.893 4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.467 6.040 4.413 1.00 0.00 H new ATOM 0 HH TYR A 750 1.581 5.265 5.332 1.00 0.00 H new ATOM 147 N ASP A 751 7.180 5.000 1.074 1.00 0.00 N ATOM 148 CA ASP A 751 6.729 6.174 0.342 1.00 0.00 C ATOM 149 C ASP A 751 6.357 5.779 -1.082 1.00 0.00 C ATOM 150 O ASP A 751 5.394 6.293 -1.653 1.00 0.00 O ATOM 151 CB ASP A 751 7.823 7.244 0.324 1.00 0.00 C ATOM 152 CG ASP A 751 7.360 8.535 -0.322 1.00 0.00 C ATOM 153 OD1 ASP A 751 7.443 8.641 -1.564 1.00 0.00 O ATOM 154 OD2 ASP A 751 6.915 9.441 0.413 1.00 0.00 O ATOM 0 H ASP A 751 8.092 5.099 1.520 1.00 0.00 H new ATOM 0 HA ASP A 751 5.852 6.586 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.145 7.447 1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.691 6.863 -0.214 1.00 0.00 H new ATOM 159 N GLU A 752 7.115 4.840 -1.637 1.00 0.00 N ATOM 160 CA GLU A 752 6.858 4.348 -2.981 1.00 0.00 C ATOM 161 C GLU A 752 5.587 3.503 -3.000 1.00 0.00 C ATOM 162 O GLU A 752 4.765 3.615 -3.910 1.00 0.00 O ATOM 163 CB GLU A 752 8.050 3.537 -3.484 1.00 0.00 C ATOM 164 CG GLU A 752 8.086 3.375 -4.995 1.00 0.00 C ATOM 165 CD GLU A 752 9.480 3.079 -5.516 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.096 2.101 -5.043 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.954 3.826 -6.396 1.00 0.00 O ATOM 0 H GLU A 752 7.913 4.405 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 752 6.716 5.200 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.971 4.021 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 752 8.027 2.550 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 752 7.414 2.568 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.713 4.286 -5.464 1.00 0.00 H new ATOM 174 N ALA A 753 5.431 2.664 -1.978 1.00 0.00 N ATOM 175 CA ALA A 753 4.255 1.806 -1.861 1.00 0.00 C ATOM 176 C ALA A 753 3.001 2.652 -1.718 1.00 0.00 C ATOM 177 O ALA A 753 2.040 2.493 -2.468 1.00 0.00 O ATOM 178 CB ALA A 753 4.397 0.866 -0.674 1.00 0.00 C ATOM 0 H ALA A 753 6.105 2.560 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 753 4.171 1.206 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.512 0.234 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.279 0.240 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.502 1.449 0.241 1.00 0.00 H new ATOM 184 N VAL A 754 3.032 3.567 -0.757 1.00 0.00 N ATOM 185 CA VAL A 754 1.917 4.464 -0.512 1.00 0.00 C ATOM 186 C VAL A 754 1.583 5.228 -1.788 1.00 0.00 C ATOM 187 O VAL A 754 0.415 5.407 -2.131 1.00 0.00 O ATOM 188 CB VAL A 754 2.261 5.441 0.631 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.406 6.696 0.590 1.00 0.00 C ATOM 190 CG2 VAL A 754 2.108 4.742 1.965 1.00 0.00 C ATOM 0 H VAL A 754 3.826 3.705 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 754 1.046 3.881 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 754 3.296 5.755 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.685 7.353 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.564 7.213 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.355 6.423 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.352 5.436 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 754 1.080 4.400 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.782 3.886 2.007 1.00 0.00 H new ATOM 200 N ARG A 755 2.623 5.641 -2.502 1.00 0.00 N ATOM 201 CA ARG A 755 2.450 6.350 -3.760 1.00 0.00 C ATOM 202 C ARG A 755 1.843 5.408 -4.793 1.00 0.00 C ATOM 203 O ARG A 755 1.037 5.809 -5.632 1.00 0.00 O ATOM 204 CB ARG A 755 3.797 6.870 -4.263 1.00 0.00 C ATOM 205 CG ARG A 755 4.170 8.233 -3.704 1.00 0.00 C ATOM 206 CD ARG A 755 5.458 8.754 -4.320 1.00 0.00 C ATOM 207 NE ARG A 755 5.729 10.137 -3.935 1.00 0.00 N ATOM 208 CZ ARG A 755 6.705 10.874 -4.459 1.00 0.00 C ATOM 209 NH1 ARG A 755 7.503 10.365 -5.389 1.00 0.00 N ATOM 210 NH2 ARG A 755 6.883 12.123 -4.053 1.00 0.00 N ATOM 0 H ARG A 755 3.595 5.496 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 755 1.783 7.198 -3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.575 6.153 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 755 3.771 6.927 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.362 8.939 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 755 4.284 8.165 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 755 6.290 8.122 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.394 8.686 -5.406 1.00 0.00 H new ATOM 0 HE ARG A 755 5.135 10.562 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 755 7.370 9.405 -5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 755 8.250 10.934 -5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 755 6.272 12.519 -3.339 1.00 0.00 H new ATOM 0 HH22 ARG A 755 7.631 12.688 -4.455 1.00 0.00 H new ATOM 224 N PHE A 756 2.247 4.143 -4.708 1.00 0.00 N ATOM 225 CA PHE A 756 1.767 3.110 -5.613 1.00 0.00 C ATOM 226 C PHE A 756 0.282 2.825 -5.382 1.00 0.00 C ATOM 227 O PHE A 756 -0.494 2.731 -6.331 1.00 0.00 O ATOM 228 CB PHE A 756 2.599 1.833 -5.417 1.00 0.00 C ATOM 229 CG PHE A 756 1.867 0.566 -5.759 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.114 -0.092 -4.802 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.929 0.039 -7.035 1.00 0.00 C ATOM 232 CE1 PHE A 756 0.438 -1.253 -5.117 1.00 0.00 C ATOM 233 CE2 PHE A 756 1.256 -1.117 -7.355 1.00 0.00 C ATOM 234 CZ PHE A 756 0.509 -1.765 -6.396 1.00 0.00 C ATOM 0 H PHE A 756 2.914 3.809 -4.012 1.00 0.00 H new ATOM 0 HA PHE A 756 1.880 3.460 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.496 1.899 -6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.927 1.782 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 756 1.055 0.307 -3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 756 2.514 0.542 -7.791 1.00 0.00 H new ATOM 0 HE1 PHE A 756 -0.146 -1.760 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 756 1.313 -1.516 -8.357 1.00 0.00 H new ATOM 0 HZ PHE A 756 -0.020 -2.673 -6.645 1.00 0.00 H new ATOM 244 N VAL A 757 -0.104 2.686 -4.117 1.00 0.00 N ATOM 245 CA VAL A 757 -1.490 2.408 -3.770 1.00 0.00 C ATOM 246 C VAL A 757 -2.372 3.617 -4.052 1.00 0.00 C ATOM 247 O VAL A 757 -3.478 3.485 -4.575 1.00 0.00 O ATOM 248 CB VAL A 757 -1.627 2.009 -2.289 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.067 1.649 -1.962 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.694 0.852 -1.963 1.00 0.00 C ATOM 0 H VAL A 757 0.525 2.762 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.817 1.573 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.343 2.863 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.143 1.370 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.710 2.507 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.383 0.811 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.803 0.582 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.947 -0.006 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.337 1.150 -2.156 1.00 0.00 H new ATOM 260 N THR A 758 -1.871 4.797 -3.707 1.00 0.00 N ATOM 261 CA THR A 758 -2.610 6.032 -3.929 1.00 0.00 C ATOM 262 C THR A 758 -2.933 6.208 -5.409 1.00 0.00 C ATOM 263 O THR A 758 -4.057 6.551 -5.773 1.00 0.00 O ATOM 264 CB THR A 758 -1.803 7.230 -3.430 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.445 7.120 -3.816 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.845 7.398 -1.924 1.00 0.00 C ATOM 0 H THR A 758 -0.957 4.924 -3.273 1.00 0.00 H new ATOM 0 HA THR A 758 -3.545 5.974 -3.371 1.00 0.00 H new ATOM 0 HB THR A 758 -2.271 8.101 -3.888 1.00 0.00 H new ATOM 0 HG1 THR A 758 0.068 6.704 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.252 8.267 -1.638 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.877 7.541 -1.603 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.437 6.507 -1.447 1.00 0.00 H new ATOM 274 N GLU A 759 -1.938 5.970 -6.258 1.00 0.00 N ATOM 275 CA GLU A 759 -2.114 6.103 -7.700 1.00 0.00 C ATOM 276 C GLU A 759 -2.853 4.898 -8.277 1.00 0.00 C ATOM 277 O GLU A 759 -3.639 5.032 -9.214 1.00 0.00 O ATOM 278 CB GLU A 759 -0.757 6.263 -8.387 1.00 0.00 C ATOM 279 CG GLU A 759 -0.164 7.654 -8.248 1.00 0.00 C ATOM 280 CD GLU A 759 1.135 7.815 -9.012 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.264 7.208 -10.096 1.00 0.00 O ATOM 282 OE2 GLU A 759 2.022 8.549 -8.528 1.00 0.00 O ATOM 0 H GLU A 759 -1.002 5.684 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.715 6.993 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.060 5.537 -7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.865 6.028 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -0.885 8.389 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 759 0.011 7.866 -7.193 1.00 0.00 H new ATOM 289 N SER A 760 -2.595 3.721 -7.715 1.00 0.00 N ATOM 290 CA SER A 760 -3.237 2.495 -8.180 1.00 0.00 C ATOM 291 C SER A 760 -4.682 2.406 -7.692 1.00 0.00 C ATOM 292 O SER A 760 -5.461 1.593 -8.187 1.00 0.00 O ATOM 293 CB SER A 760 -2.456 1.267 -7.704 1.00 0.00 C ATOM 294 OG SER A 760 -2.687 1.017 -6.329 1.00 0.00 O ATOM 0 H SER A 760 -1.947 3.590 -6.938 1.00 0.00 H new ATOM 0 HA SER A 760 -3.242 2.519 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.750 0.396 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.391 1.421 -7.875 1.00 0.00 H new ATOM 0 HG SER A 760 -3.365 0.316 -6.233 1.00 0.00 H new ATOM 300 N ARG A 761 -5.036 3.239 -6.714 1.00 0.00 N ATOM 301 CA ARG A 761 -6.388 3.236 -6.165 1.00 0.00 C ATOM 302 C ARG A 761 -6.755 1.847 -5.651 1.00 0.00 C ATOM 303 O ARG A 761 -7.926 1.467 -5.631 1.00 0.00 O ATOM 304 CB ARG A 761 -7.394 3.687 -7.224 1.00 0.00 C ATOM 305 CG ARG A 761 -7.300 5.166 -7.562 1.00 0.00 C ATOM 306 CD ARG A 761 -7.763 6.035 -6.403 1.00 0.00 C ATOM 307 NE ARG A 761 -8.611 7.138 -6.850 1.00 0.00 N ATOM 308 CZ ARG A 761 -8.923 8.187 -6.093 1.00 0.00 C ATOM 309 NH1 ARG A 761 -8.459 8.281 -4.853 1.00 0.00 N ATOM 310 NH2 ARG A 761 -9.700 9.146 -6.578 1.00 0.00 N ATOM 0 H ARG A 761 -4.408 3.921 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.420 3.936 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.238 3.105 -8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.402 3.466 -6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.270 5.417 -7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.907 5.378 -8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.312 5.423 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -6.894 6.435 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 761 -8.986 7.102 -7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -7.860 7.547 -4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -8.702 9.087 -4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -10.058 9.079 -7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -9.940 9.950 -5.998 1.00 0.00 H new ATOM 324 N ARG A 762 -5.739 1.094 -5.241 1.00 0.00 N ATOM 325 CA ARG A 762 -5.932 -0.256 -4.730 1.00 0.00 C ATOM 326 C ARG A 762 -4.712 -0.684 -3.917 1.00 0.00 C ATOM 327 O ARG A 762 -3.575 -0.455 -4.327 1.00 0.00 O ATOM 328 CB ARG A 762 -6.178 -1.225 -5.896 1.00 0.00 C ATOM 329 CG ARG A 762 -5.747 -2.662 -5.625 1.00 0.00 C ATOM 330 CD ARG A 762 -4.282 -2.893 -5.978 1.00 0.00 C ATOM 331 NE ARG A 762 -3.894 -2.223 -7.218 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.259 -2.636 -8.430 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.022 -3.714 -8.569 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.861 -1.970 -9.505 1.00 0.00 N ATOM 0 H ARG A 762 -4.766 1.401 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.804 -0.274 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -7.240 -1.218 -6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -5.646 -0.859 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -5.908 -2.897 -4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -6.371 -3.343 -6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -3.654 -2.534 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -4.099 -3.963 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 762 -3.309 -1.390 -7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -5.331 -4.230 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.299 -4.026 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -3.275 -1.141 -9.404 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -4.141 -2.286 -10.433 1.00 0.00 H new ATOM 348 N ALA A 763 -4.950 -1.299 -2.763 1.00 0.00 N ATOM 349 CA ALA A 763 -3.859 -1.743 -1.908 1.00 0.00 C ATOM 350 C ALA A 763 -3.689 -3.256 -1.952 1.00 0.00 C ATOM 351 O ALA A 763 -4.259 -3.982 -1.142 1.00 0.00 O ATOM 352 CB ALA A 763 -4.096 -1.283 -0.476 1.00 0.00 C ATOM 0 H ALA A 763 -5.883 -1.499 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.939 -1.295 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.274 -1.620 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.152 -0.195 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.032 -1.704 -0.109 1.00 0.00 H new ATOM 358 N SER A 764 -2.871 -3.723 -2.885 1.00 0.00 N ATOM 359 CA SER A 764 -2.598 -5.148 -3.012 1.00 0.00 C ATOM 360 C SER A 764 -1.110 -5.386 -2.857 1.00 0.00 C ATOM 361 O SER A 764 -0.309 -4.875 -3.631 1.00 0.00 O ATOM 362 CB SER A 764 -3.081 -5.670 -4.367 1.00 0.00 C ATOM 363 OG SER A 764 -4.483 -5.514 -4.503 1.00 0.00 O ATOM 0 H SER A 764 -2.385 -3.137 -3.564 1.00 0.00 H new ATOM 0 HA SER A 764 -3.135 -5.687 -2.231 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.573 -5.134 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.817 -6.723 -4.470 1.00 0.00 H new ATOM 0 HG SER A 764 -4.790 -5.993 -5.301 1.00 0.00 H new ATOM 369 N ILE A 765 -0.744 -6.152 -1.842 1.00 0.00 N ATOM 370 CA ILE A 765 0.658 -6.434 -1.575 1.00 0.00 C ATOM 371 C ILE A 765 1.361 -7.002 -2.803 1.00 0.00 C ATOM 372 O ILE A 765 2.445 -6.551 -3.170 1.00 0.00 O ATOM 373 CB ILE A 765 0.831 -7.407 -0.399 1.00 0.00 C ATOM 374 CG1 ILE A 765 -0.042 -6.989 0.788 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.291 -7.452 0.009 1.00 0.00 C ATOM 376 CD1 ILE A 765 -0.211 -8.077 1.825 1.00 0.00 C ATOM 0 H ILE A 765 -1.396 -6.589 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 765 1.116 -5.480 -1.313 1.00 0.00 H new ATOM 0 HB ILE A 765 0.514 -8.401 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.399 -6.112 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -1.024 -6.693 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.414 -8.142 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 765 2.894 -7.790 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.615 -6.456 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.840 -7.712 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.680 -8.947 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 765 0.765 -8.357 2.221 1.00 0.00 H new ATOM 388 N SER A 766 0.738 -7.987 -3.441 1.00 0.00 N ATOM 389 CA SER A 766 1.312 -8.602 -4.632 1.00 0.00 C ATOM 390 C SER A 766 1.526 -7.554 -5.720 1.00 0.00 C ATOM 391 O SER A 766 2.513 -7.590 -6.458 1.00 0.00 O ATOM 392 CB SER A 766 0.402 -9.718 -5.144 1.00 0.00 C ATOM 393 OG SER A 766 0.745 -10.091 -6.467 1.00 0.00 O ATOM 0 H SER A 766 -0.161 -8.375 -3.155 1.00 0.00 H new ATOM 0 HA SER A 766 2.278 -9.033 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.480 -10.584 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.636 -9.387 -5.114 1.00 0.00 H new ATOM 0 HG SER A 766 0.149 -10.807 -6.770 1.00 0.00 H new ATOM 399 N ALA A 767 0.600 -6.610 -5.803 1.00 0.00 N ATOM 400 CA ALA A 767 0.695 -5.544 -6.786 1.00 0.00 C ATOM 401 C ALA A 767 1.790 -4.559 -6.391 1.00 0.00 C ATOM 402 O ALA A 767 2.570 -4.112 -7.232 1.00 0.00 O ATOM 403 CB ALA A 767 -0.649 -4.849 -6.940 1.00 0.00 C ATOM 0 H ALA A 767 -0.223 -6.561 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 767 0.963 -5.972 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.564 -4.053 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.396 -5.571 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.951 -4.425 -5.982 1.00 0.00 H new ATOM 409 N VAL A 768 1.860 -4.244 -5.099 1.00 0.00 N ATOM 410 CA VAL A 768 2.883 -3.338 -4.589 1.00 0.00 C ATOM 411 C VAL A 768 4.263 -3.912 -4.847 1.00 0.00 C ATOM 412 O VAL A 768 5.138 -3.228 -5.361 1.00 0.00 O ATOM 413 CB VAL A 768 2.752 -3.092 -3.071 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.720 -2.012 -2.621 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.333 -2.718 -2.690 1.00 0.00 C ATOM 0 H VAL A 768 1.221 -4.603 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 768 2.744 -2.392 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 768 3.001 -4.023 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.613 -1.852 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.741 -2.323 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.501 -1.084 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.277 -2.552 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.044 -1.807 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.657 -3.526 -2.968 1.00 0.00 H new ATOM 425 N GLN A 769 4.455 -5.173 -4.477 1.00 0.00 N ATOM 426 CA GLN A 769 5.741 -5.822 -4.671 1.00 0.00 C ATOM 427 C GLN A 769 6.071 -5.910 -6.151 1.00 0.00 C ATOM 428 O GLN A 769 7.235 -5.813 -6.543 1.00 0.00 O ATOM 429 CB GLN A 769 5.761 -7.213 -4.031 1.00 0.00 C ATOM 430 CG GLN A 769 4.615 -8.104 -4.470 1.00 0.00 C ATOM 431 CD GLN A 769 5.071 -9.498 -4.857 1.00 0.00 C ATOM 432 OE1 GLN A 769 4.854 -9.945 -5.983 1.00 0.00 O ATOM 433 NE2 GLN A 769 5.706 -10.194 -3.921 1.00 0.00 N ATOM 0 H GLN A 769 3.742 -5.760 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 769 6.503 -5.217 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.704 -7.702 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.730 -7.105 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 769 3.886 -8.176 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.107 -7.644 -5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.865 -9.784 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.035 -11.138 -4.123 1.00 0.00 H new ATOM 442 N ARG A 770 5.037 -6.084 -6.968 1.00 0.00 N ATOM 443 CA ARG A 770 5.208 -6.176 -8.409 1.00 0.00 C ATOM 444 C ARG A 770 5.610 -4.826 -9.008 1.00 0.00 C ATOM 445 O ARG A 770 6.478 -4.759 -9.878 1.00 0.00 O ATOM 446 CB ARG A 770 3.913 -6.677 -9.053 1.00 0.00 C ATOM 447 CG ARG A 770 3.958 -8.147 -9.437 1.00 0.00 C ATOM 448 CD ARG A 770 2.825 -8.514 -10.380 1.00 0.00 C ATOM 449 NE ARG A 770 2.842 -9.933 -10.728 1.00 0.00 N ATOM 450 CZ ARG A 770 2.134 -10.462 -11.723 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.350 -9.693 -12.470 1.00 0.00 N ATOM 452 NH2 ARG A 770 2.209 -11.761 -11.973 1.00 0.00 N ATOM 0 H ARG A 770 4.070 -6.164 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 770 6.011 -6.884 -8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.086 -6.515 -8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.705 -6.083 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.914 -8.371 -9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 770 3.897 -8.760 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 770 1.871 -8.266 -9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 770 2.901 -7.917 -11.289 1.00 0.00 H new ATOM 0 HE ARG A 770 3.432 -10.555 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.289 -8.692 -12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.809 -10.103 -13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.810 -12.356 -11.403 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.666 -12.166 -12.736 1.00 0.00 H new ATOM 466 N LYS A 771 4.968 -3.753 -8.545 1.00 0.00 N ATOM 467 CA LYS A 771 5.258 -2.410 -9.048 1.00 0.00 C ATOM 468 C LYS A 771 6.536 -1.833 -8.439 1.00 0.00 C ATOM 469 O LYS A 771 7.282 -1.116 -9.105 1.00 0.00 O ATOM 470 CB LYS A 771 4.078 -1.472 -8.780 1.00 0.00 C ATOM 471 CG LYS A 771 3.720 -0.602 -9.980 1.00 0.00 C ATOM 472 CD LYS A 771 3.679 0.890 -9.669 1.00 0.00 C ATOM 473 CE LYS A 771 4.710 1.313 -8.633 1.00 0.00 C ATOM 474 NZ LYS A 771 4.862 2.794 -8.571 1.00 0.00 N ATOM 0 H LYS A 771 4.246 -3.787 -7.825 1.00 0.00 H new ATOM 0 HA LYS A 771 5.414 -2.495 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.208 -2.064 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.317 -0.830 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.446 -0.778 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.747 -0.910 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.845 1.451 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.684 1.153 -9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 771 4.415 0.937 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 771 5.672 0.859 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 5.573 3.040 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 5.168 3.151 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 3.951 3.226 -8.318 1.00 0.00 H new ATOM 488 N LEU A 772 6.779 -2.144 -7.172 1.00 0.00 N ATOM 489 CA LEU A 772 7.964 -1.652 -6.470 1.00 0.00 C ATOM 490 C LEU A 772 9.144 -2.606 -6.601 1.00 0.00 C ATOM 491 O LEU A 772 10.262 -2.269 -6.211 1.00 0.00 O ATOM 492 CB LEU A 772 7.659 -1.436 -4.985 1.00 0.00 C ATOM 493 CG LEU A 772 7.515 0.025 -4.554 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.053 0.406 -4.395 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.268 0.268 -3.255 1.00 0.00 C ATOM 0 H LEU A 772 6.171 -2.736 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 772 8.235 -0.704 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.737 -1.963 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.454 -1.895 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 772 7.945 0.653 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.980 1.449 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.536 0.270 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.592 -0.228 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.157 1.311 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.863 -0.375 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.325 0.042 -3.399 1.00 0.00 H new ATOM 507 N LYS A 773 8.898 -3.801 -7.119 1.00 0.00 N ATOM 508 CA LYS A 773 9.957 -4.788 -7.254 1.00 0.00 C ATOM 509 C LYS A 773 10.521 -5.118 -5.877 1.00 0.00 C ATOM 510 O LYS A 773 11.730 -5.263 -5.703 1.00 0.00 O ATOM 511 CB LYS A 773 11.068 -4.267 -8.169 1.00 0.00 C ATOM 512 CG LYS A 773 10.641 -4.113 -9.620 1.00 0.00 C ATOM 513 CD LYS A 773 11.844 -4.015 -10.546 1.00 0.00 C ATOM 514 CE LYS A 773 12.533 -2.665 -10.425 1.00 0.00 C ATOM 515 NZ LYS A 773 12.147 -1.743 -11.528 1.00 0.00 N ATOM 0 H LYS A 773 7.983 -4.108 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 773 9.543 -5.691 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.412 -3.302 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.917 -4.949 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.024 -4.963 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 773 10.024 -3.220 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 773 12.552 -4.809 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.525 -4.170 -11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 773 12.278 -2.212 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 773 13.614 -2.807 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 12.638 -0.834 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 12.414 -2.163 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 11.119 -1.586 -11.506 1.00 0.00 H new ATOM 529 N ILE A 774 9.624 -5.230 -4.899 1.00 0.00 N ATOM 530 CA ILE A 774 10.018 -5.539 -3.528 1.00 0.00 C ATOM 531 C ILE A 774 9.536 -6.931 -3.138 1.00 0.00 C ATOM 532 O ILE A 774 8.981 -7.658 -3.963 1.00 0.00 O ATOM 533 CB ILE A 774 9.453 -4.513 -2.517 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.937 -4.406 -2.647 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.095 -3.154 -2.718 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.297 -3.456 -1.653 1.00 0.00 C ATOM 0 H ILE A 774 8.620 -5.111 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 774 11.107 -5.495 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 774 9.690 -4.863 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.692 -4.078 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.501 -5.397 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.684 -2.447 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.172 -3.235 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.891 -2.801 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.219 -3.436 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.509 -3.794 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.703 -2.454 -1.794 1.00 0.00 H new ATOM 548 N GLY A 775 9.746 -7.299 -1.881 1.00 0.00 N ATOM 549 CA GLY A 775 9.320 -8.605 -1.415 1.00 0.00 C ATOM 550 C GLY A 775 7.897 -8.589 -0.898 1.00 0.00 C ATOM 551 O GLY A 775 7.425 -7.569 -0.400 1.00 0.00 O ATOM 0 H GLY A 775 10.202 -6.719 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.401 -9.324 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 775 9.989 -8.943 -0.624 1.00 0.00 H new ATOM 555 N TYR A 776 7.208 -9.720 -1.015 1.00 0.00 N ATOM 556 CA TYR A 776 5.828 -9.820 -0.551 1.00 0.00 C ATOM 557 C TYR A 776 5.720 -9.398 0.911 1.00 0.00 C ATOM 558 O TYR A 776 4.831 -8.632 1.284 1.00 0.00 O ATOM 559 CB TYR A 776 5.311 -11.248 -0.723 1.00 0.00 C ATOM 560 CG TYR A 776 3.891 -11.440 -0.237 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.618 -11.602 1.115 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.826 -11.455 -1.129 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.323 -11.775 1.565 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.529 -11.627 -0.687 1.00 0.00 C ATOM 565 CZ TYR A 776 1.283 -11.786 0.660 1.00 0.00 C ATOM 566 OH TYR A 776 -0.009 -11.960 1.104 1.00 0.00 O ATOM 0 H TYR A 776 7.580 -10.577 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 776 5.216 -9.148 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.366 -11.521 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 776 5.967 -11.931 -0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.431 -11.593 1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.015 -11.330 -2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.127 -11.901 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.712 -11.637 -1.393 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.623 -11.942 0.340 1.00 0.00 H new ATOM 576 N ASN A 777 6.635 -9.899 1.733 1.00 0.00 N ATOM 577 CA ASN A 777 6.649 -9.572 3.153 1.00 0.00 C ATOM 578 C ASN A 777 6.863 -8.078 3.361 1.00 0.00 C ATOM 579 O ASN A 777 6.149 -7.441 4.136 1.00 0.00 O ATOM 580 CB ASN A 777 7.747 -10.361 3.870 1.00 0.00 C ATOM 581 CG ASN A 777 7.347 -11.800 4.132 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.998 -12.163 5.256 1.00 0.00 O ATOM 583 ND2 ASN A 777 7.399 -12.627 3.096 1.00 0.00 N ATOM 0 H ASN A 777 7.377 -10.534 1.440 1.00 0.00 H new ATOM 0 HA ASN A 777 5.682 -9.846 3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.656 -10.343 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 777 7.982 -9.874 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 777 7.144 -13.608 3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 777 7.694 -12.282 2.183 1.00 0.00 H new ATOM 590 N ARG A 778 7.850 -7.521 2.664 1.00 0.00 N ATOM 591 CA ARG A 778 8.154 -6.103 2.774 1.00 0.00 C ATOM 592 C ARG A 778 6.954 -5.261 2.356 1.00 0.00 C ATOM 593 O ARG A 778 6.534 -4.359 3.079 1.00 0.00 O ATOM 594 CB ARG A 778 9.375 -5.772 1.911 1.00 0.00 C ATOM 595 CG ARG A 778 9.613 -4.285 1.718 1.00 0.00 C ATOM 596 CD ARG A 778 10.806 -4.031 0.817 1.00 0.00 C ATOM 597 NE ARG A 778 11.737 -3.062 1.397 1.00 0.00 N ATOM 598 CZ ARG A 778 12.918 -3.381 1.926 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.317 -4.646 1.972 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.702 -2.429 2.413 1.00 0.00 N ATOM 0 H ARG A 778 8.451 -8.033 2.018 1.00 0.00 H new ATOM 0 HA ARG A 778 8.380 -5.868 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.260 -6.214 2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.253 -6.239 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.724 -3.825 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.778 -3.812 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.328 -4.970 0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.459 -3.666 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 778 11.464 -2.079 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.718 -5.383 1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.222 -4.881 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.401 -1.455 2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.606 -2.671 2.818 1.00 0.00 H new ATOM 614 N ALA A 779 6.400 -5.572 1.192 1.00 0.00 N ATOM 615 CA ALA A 779 5.239 -4.857 0.681 1.00 0.00 C ATOM 616 C ALA A 779 4.088 -4.930 1.681 1.00 0.00 C ATOM 617 O ALA A 779 3.495 -3.911 2.033 1.00 0.00 O ATOM 618 CB ALA A 779 4.822 -5.422 -0.668 1.00 0.00 C ATOM 0 H ALA A 779 6.737 -6.317 0.582 1.00 0.00 H new ATOM 0 HA ALA A 779 5.505 -3.809 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 779 3.953 -4.878 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.644 -5.317 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.570 -6.477 -0.558 1.00 0.00 H new ATOM 624 N ALA A 780 3.790 -6.141 2.144 1.00 0.00 N ATOM 625 CA ALA A 780 2.726 -6.350 3.116 1.00 0.00 C ATOM 626 C ALA A 780 2.958 -5.503 4.362 1.00 0.00 C ATOM 627 O ALA A 780 2.026 -4.910 4.904 1.00 0.00 O ATOM 628 CB ALA A 780 2.632 -7.823 3.488 1.00 0.00 C ATOM 0 H ALA A 780 4.273 -6.993 1.860 1.00 0.00 H new ATOM 0 HA ALA A 780 1.784 -6.042 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.833 -7.964 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.418 -8.411 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.578 -8.150 3.920 1.00 0.00 H new ATOM 634 N ARG A 781 4.212 -5.443 4.806 1.00 0.00 N ATOM 635 CA ARG A 781 4.564 -4.657 5.982 1.00 0.00 C ATOM 636 C ARG A 781 4.204 -3.194 5.759 1.00 0.00 C ATOM 637 O ARG A 781 3.556 -2.569 6.599 1.00 0.00 O ATOM 638 CB ARG A 781 6.055 -4.800 6.297 1.00 0.00 C ATOM 639 CG ARG A 781 6.399 -6.106 6.996 1.00 0.00 C ATOM 640 CD ARG A 781 7.849 -6.134 7.450 1.00 0.00 C ATOM 641 NE ARG A 781 8.443 -7.461 7.299 1.00 0.00 N ATOM 642 CZ ARG A 781 9.521 -7.872 7.963 1.00 0.00 C ATOM 643 NH1 ARG A 781 10.130 -7.062 8.821 1.00 0.00 N ATOM 644 NH2 ARG A 781 9.993 -9.096 7.769 1.00 0.00 N ATOM 0 H ARG A 781 4.997 -5.928 4.370 1.00 0.00 H new ATOM 0 HA ARG A 781 3.998 -5.031 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.623 -4.732 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.368 -3.966 6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.745 -6.241 7.857 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.213 -6.941 6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.424 -5.411 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 781 7.908 -5.827 8.494 1.00 0.00 H new ATOM 0 HE ARG A 781 8.005 -8.111 6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 781 9.772 -6.119 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 781 10.956 -7.383 9.327 1.00 0.00 H new ATOM 0 HH21 ARG A 781 9.530 -9.723 7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 781 10.819 -9.411 8.278 1.00 0.00 H new ATOM 658 N MET A 782 4.601 -2.657 4.607 1.00 0.00 N ATOM 659 CA MET A 782 4.284 -1.276 4.269 1.00 0.00 C ATOM 660 C MET A 782 2.776 -1.116 4.199 1.00 0.00 C ATOM 661 O MET A 782 2.208 -0.164 4.732 1.00 0.00 O ATOM 662 CB MET A 782 4.904 -0.892 2.923 1.00 0.00 C ATOM 663 CG MET A 782 6.421 -0.968 2.903 1.00 0.00 C ATOM 664 SD MET A 782 7.042 -1.956 1.529 1.00 0.00 S ATOM 665 CE MET A 782 7.778 -0.697 0.493 1.00 0.00 C ATOM 0 H MET A 782 5.139 -3.155 3.898 1.00 0.00 H new ATOM 0 HA MET A 782 4.695 -0.620 5.037 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.506 -1.549 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.597 0.122 2.668 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.832 0.040 2.837 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.773 -1.395 3.842 1.00 0.00 H new ATOM 0 HE1 MET A 782 8.398 -1.169 -0.269 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.991 -0.116 0.012 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.394 -0.037 1.104 1.00 0.00 H new ATOM 675 N ILE A 783 2.134 -2.079 3.551 1.00 0.00 N ATOM 676 CA ILE A 783 0.687 -2.086 3.414 1.00 0.00 C ATOM 677 C ILE A 783 0.036 -2.005 4.795 1.00 0.00 C ATOM 678 O ILE A 783 -0.972 -1.323 4.985 1.00 0.00 O ATOM 679 CB ILE A 783 0.227 -3.357 2.658 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.624 -3.266 1.179 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.270 -3.584 2.792 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.248 -2.326 0.365 1.00 0.00 C ATOM 0 H ILE A 783 2.600 -2.872 3.109 1.00 0.00 H new ATOM 0 HA ILE A 783 0.376 -1.217 2.834 1.00 0.00 H new ATOM 0 HB ILE A 783 0.729 -4.212 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.660 -2.935 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.578 -4.262 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.552 -4.485 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.528 -3.701 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.806 -2.729 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.095 -2.316 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.283 -2.667 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.183 -1.320 0.779 1.00 0.00 H new ATOM 694 N GLU A 784 0.653 -2.672 5.768 1.00 0.00 N ATOM 695 CA GLU A 784 0.164 -2.637 7.139 1.00 0.00 C ATOM 696 C GLU A 784 0.272 -1.212 7.655 1.00 0.00 C ATOM 697 O GLU A 784 -0.670 -0.657 8.234 1.00 0.00 O ATOM 698 CB GLU A 784 0.983 -3.583 8.020 1.00 0.00 C ATOM 699 CG GLU A 784 0.254 -4.037 9.271 1.00 0.00 C ATOM 700 CD GLU A 784 0.766 -3.355 10.524 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.987 -3.103 10.606 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.052 -3.071 11.424 1.00 0.00 O ATOM 0 H GLU A 784 1.489 -3.240 5.631 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.876 -2.963 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.262 -4.459 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.908 -3.085 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.811 -3.833 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.363 -5.116 9.379 1.00 0.00 H new ATOM 709 N ALA A 785 1.430 -0.612 7.398 1.00 0.00 N ATOM 710 CA ALA A 785 1.687 0.763 7.786 1.00 0.00 C ATOM 711 C ALA A 785 0.667 1.677 7.131 1.00 0.00 C ATOM 712 O ALA A 785 0.261 2.683 7.704 1.00 0.00 O ATOM 713 CB ALA A 785 3.099 1.173 7.394 1.00 0.00 C ATOM 0 H ALA A 785 2.209 -1.064 6.919 1.00 0.00 H new ATOM 0 HA ALA A 785 1.598 0.849 8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.274 2.207 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.818 0.524 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.218 1.082 6.314 1.00 0.00 H new ATOM 719 N MET A 786 0.252 1.308 5.922 1.00 0.00 N ATOM 720 CA MET A 786 -0.733 2.082 5.185 1.00 0.00 C ATOM 721 C MET A 786 -2.073 2.053 5.904 1.00 0.00 C ATOM 722 O MET A 786 -2.768 3.058 5.987 1.00 0.00 O ATOM 723 CB MET A 786 -0.891 1.540 3.764 1.00 0.00 C ATOM 724 CG MET A 786 0.120 2.107 2.789 1.00 0.00 C ATOM 725 SD MET A 786 -0.137 1.536 1.099 1.00 0.00 S ATOM 726 CE MET A 786 1.345 0.567 0.838 1.00 0.00 C ATOM 0 H MET A 786 0.585 0.476 5.435 1.00 0.00 H new ATOM 0 HA MET A 786 -0.384 3.113 5.128 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.796 0.454 3.784 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.896 1.765 3.407 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.067 3.196 2.811 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.123 1.830 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.246 -0.009 -0.082 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.205 1.232 0.759 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.488 -0.113 1.678 1.00 0.00 H new ATOM 736 N GLU A 787 -2.431 0.891 6.427 1.00 0.00 N ATOM 737 CA GLU A 787 -3.692 0.746 7.143 1.00 0.00 C ATOM 738 C GLU A 787 -3.715 1.641 8.372 1.00 0.00 C ATOM 739 O GLU A 787 -4.674 2.376 8.605 1.00 0.00 O ATOM 740 CB GLU A 787 -3.914 -0.708 7.549 1.00 0.00 C ATOM 741 CG GLU A 787 -4.778 -1.473 6.568 1.00 0.00 C ATOM 742 CD GLU A 787 -5.831 -2.323 7.252 1.00 0.00 C ATOM 743 OE1 GLU A 787 -6.567 -1.782 8.104 1.00 0.00 O ATOM 744 OE2 GLU A 787 -5.920 -3.527 6.935 1.00 0.00 O ATOM 0 H GLU A 787 -1.872 0.039 6.371 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.499 1.049 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.948 -1.206 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.380 -0.737 8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.267 -0.769 5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.144 -2.112 5.954 1.00 0.00 H new ATOM 751 N MET A 788 -2.651 1.568 9.156 1.00 0.00 N ATOM 752 CA MET A 788 -2.537 2.368 10.371 1.00 0.00 C ATOM 753 C MET A 788 -2.331 3.847 10.047 1.00 0.00 C ATOM 754 O MET A 788 -2.836 4.725 10.746 1.00 0.00 O ATOM 755 CB MET A 788 -1.374 1.859 11.220 1.00 0.00 C ATOM 756 CG MET A 788 -1.703 0.605 12.009 1.00 0.00 C ATOM 757 SD MET A 788 -0.629 0.381 13.439 1.00 0.00 S ATOM 758 CE MET A 788 0.985 0.491 12.671 1.00 0.00 C ATOM 0 H MET A 788 -1.851 0.962 8.974 1.00 0.00 H new ATOM 0 HA MET A 788 -3.469 2.270 10.928 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.522 1.657 10.571 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.069 2.644 11.912 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.740 0.652 12.342 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.617 -0.263 11.356 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.742 0.113 13.359 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.995 -0.104 11.758 1.00 0.00 H new ATOM 0 HE3 MET A 788 1.202 1.531 12.428 1.00 0.00 H new ATOM 768 N ALA A 789 -1.574 4.109 8.990 1.00 0.00 N ATOM 769 CA ALA A 789 -1.275 5.475 8.565 1.00 0.00 C ATOM 770 C ALA A 789 -2.488 6.162 7.950 1.00 0.00 C ATOM 771 O ALA A 789 -2.547 7.390 7.881 1.00 0.00 O ATOM 772 CB ALA A 789 -0.128 5.470 7.564 1.00 0.00 C ATOM 0 H ALA A 789 -1.151 3.388 8.405 1.00 0.00 H new ATOM 0 HA ALA A 789 -0.990 6.037 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 789 0.088 6.492 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.758 5.037 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.408 4.877 6.693 1.00 0.00 H new ATOM 778 N GLY A 790 -3.444 5.369 7.483 1.00 0.00 N ATOM 779 CA GLY A 790 -4.626 5.931 6.856 1.00 0.00 C ATOM 780 C GLY A 790 -4.472 6.024 5.350 1.00 0.00 C ATOM 781 O GLY A 790 -5.206 6.750 4.682 1.00 0.00 O ATOM 0 H GLY A 790 -3.423 4.350 7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.493 5.315 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -4.817 6.923 7.264 1.00 0.00 H new ATOM 785 N VAL A 791 -3.501 5.285 4.822 1.00 0.00 N ATOM 786 CA VAL A 791 -3.220 5.268 3.397 1.00 0.00 C ATOM 787 C VAL A 791 -4.064 4.223 2.680 1.00 0.00 C ATOM 788 O VAL A 791 -4.403 4.388 1.509 1.00 0.00 O ATOM 789 CB VAL A 791 -1.729 4.996 3.139 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.425 5.004 1.652 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.875 6.020 3.872 1.00 0.00 C ATOM 0 H VAL A 791 -2.889 4.683 5.373 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.476 6.251 3.002 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.488 4.004 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.364 4.809 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.012 4.231 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.680 5.978 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.179 5.818 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.122 7.021 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.069 5.956 4.943 1.00 0.00 H new ATOM 801 N VAL A 792 -4.413 3.155 3.384 1.00 0.00 N ATOM 802 CA VAL A 792 -5.232 2.103 2.797 1.00 0.00 C ATOM 803 C VAL A 792 -6.274 1.583 3.778 1.00 0.00 C ATOM 804 O VAL A 792 -6.003 1.439 4.969 1.00 0.00 O ATOM 805 CB VAL A 792 -4.376 0.920 2.311 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.330 1.392 1.321 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.724 0.211 3.486 1.00 0.00 C ATOM 0 H VAL A 792 -4.144 2.994 4.355 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.738 2.555 1.944 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.029 0.209 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.734 0.542 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.822 1.849 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.681 2.125 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.123 -0.622 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.085 0.911 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.496 -0.165 4.158 1.00 0.00 H new ATOM 817 N THR A 793 -7.462 1.287 3.266 1.00 0.00 N ATOM 818 CA THR A 793 -8.536 0.762 4.095 1.00 0.00 C ATOM 819 C THR A 793 -8.402 -0.758 4.193 1.00 0.00 C ATOM 820 O THR A 793 -7.666 -1.365 3.415 1.00 0.00 O ATOM 821 CB THR A 793 -9.912 1.137 3.521 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.370 0.145 2.619 1.00 0.00 O ATOM 823 CG2 THR A 793 -9.939 2.463 2.788 1.00 0.00 C ATOM 0 H THR A 793 -7.705 1.402 2.282 1.00 0.00 H new ATOM 0 HA THR A 793 -8.458 1.202 5.089 1.00 0.00 H new ATOM 0 HB THR A 793 -10.560 1.218 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.349 0.115 2.635 1.00 0.00 H new ATOM 0 HG21 THR A 793 -10.946 2.652 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.649 3.262 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.242 2.430 1.951 1.00 0.00 H new ATOM 831 N PRO A 794 -9.107 -1.403 5.136 1.00 0.00 N ATOM 832 CA PRO A 794 -9.041 -2.860 5.294 1.00 0.00 C ATOM 833 C PRO A 794 -9.570 -3.588 4.063 1.00 0.00 C ATOM 834 O PRO A 794 -10.204 -2.983 3.199 1.00 0.00 O ATOM 835 CB PRO A 794 -9.933 -3.135 6.509 1.00 0.00 C ATOM 836 CG PRO A 794 -10.830 -1.951 6.600 1.00 0.00 C ATOM 837 CD PRO A 794 -10.020 -0.784 6.111 1.00 0.00 C ATOM 0 HA PRO A 794 -8.018 -3.213 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.504 -4.054 6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.340 -3.252 7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.723 -2.090 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.165 -1.792 7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.648 -0.022 5.649 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.477 -0.301 6.923 1.00 0.00 H new ATOM 845 N MET A 795 -9.301 -4.887 3.983 1.00 0.00 N ATOM 846 CA MET A 795 -9.746 -5.688 2.855 1.00 0.00 C ATOM 847 C MET A 795 -11.260 -5.866 2.868 1.00 0.00 C ATOM 848 O MET A 795 -11.903 -5.732 3.909 1.00 0.00 O ATOM 849 CB MET A 795 -9.065 -7.055 2.877 1.00 0.00 C ATOM 850 CG MET A 795 -7.566 -6.993 3.127 1.00 0.00 C ATOM 851 SD MET A 795 -6.949 -8.437 4.015 1.00 0.00 S ATOM 852 CE MET A 795 -5.404 -8.726 3.157 1.00 0.00 C ATOM 0 H MET A 795 -8.776 -5.405 4.688 1.00 0.00 H new ATOM 0 HA MET A 795 -9.470 -5.161 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.527 -7.668 3.651 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.244 -7.555 1.925 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.046 -6.908 2.173 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.334 -6.094 3.698 1.00 0.00 H new ATOM 0 HE1 MET A 795 -4.902 -9.590 3.592 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.603 -8.915 2.102 1.00 0.00 H new ATOM 0 HE3 MET A 795 -4.764 -7.849 3.254 1.00 0.00 H new ATOM 862 N ASN A 796 -11.820 -6.169 1.703 1.00 0.00 N ATOM 863 CA ASN A 796 -13.259 -6.369 1.572 1.00 0.00 C ATOM 864 C ASN A 796 -13.589 -7.851 1.416 1.00 0.00 C ATOM 865 O ASN A 796 -12.694 -8.693 1.351 1.00 0.00 O ATOM 866 CB ASN A 796 -13.801 -5.583 0.377 1.00 0.00 C ATOM 867 CG ASN A 796 -13.136 -5.971 -0.923 1.00 0.00 C ATOM 868 OD1 ASN A 796 -12.658 -7.094 -1.082 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.107 -5.038 -1.861 1.00 0.00 N ATOM 0 H ASN A 796 -11.299 -6.282 0.834 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.735 -6.002 2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -14.875 -5.749 0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -13.655 -4.517 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -12.675 -5.235 -2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.517 -4.121 -1.681 1.00 0.00 H new ATOM 876 N THR A 797 -14.880 -8.162 1.359 1.00 0.00 N ATOM 877 CA THR A 797 -15.330 -9.542 1.212 1.00 0.00 C ATOM 878 C THR A 797 -14.753 -10.174 -0.053 1.00 0.00 C ATOM 879 O THR A 797 -14.509 -11.381 -0.099 1.00 0.00 O ATOM 880 CB THR A 797 -16.857 -9.601 1.171 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.301 -10.905 0.844 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.467 -8.644 0.169 1.00 0.00 C ATOM 0 H THR A 797 -15.634 -7.477 1.412 1.00 0.00 H new ATOM 0 HA THR A 797 -14.973 -10.106 2.074 1.00 0.00 H new ATOM 0 HB THR A 797 -17.183 -9.312 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.281 -10.922 0.824 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.553 -8.737 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.185 -7.622 0.424 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.103 -8.883 -0.830 1.00 0.00 H new ATOM 890 N ASN A 798 -14.537 -9.354 -1.074 1.00 0.00 N ATOM 891 CA ASN A 798 -13.989 -9.835 -2.339 1.00 0.00 C ATOM 892 C ASN A 798 -12.497 -10.139 -2.216 1.00 0.00 C ATOM 893 O ASN A 798 -11.929 -10.843 -3.051 1.00 0.00 O ATOM 894 CB ASN A 798 -14.221 -8.802 -3.444 1.00 0.00 C ATOM 895 CG ASN A 798 -15.457 -9.095 -4.259 1.00 0.00 C ATOM 896 OD1 ASN A 798 -15.891 -10.241 -4.367 1.00 0.00 O ATOM 897 ND2 ASN A 798 -16.031 -8.053 -4.841 1.00 0.00 N ATOM 0 H ASN A 798 -14.732 -8.353 -1.052 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.505 -10.760 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.310 -7.811 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.353 -8.778 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.869 -8.183 -5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.635 -7.121 -4.723 1.00 0.00 H new ATOM 904 N GLY A 799 -11.865 -9.606 -1.173 1.00 0.00 N ATOM 905 CA GLY A 799 -10.447 -9.838 -0.969 1.00 0.00 C ATOM 906 C GLY A 799 -9.586 -8.746 -1.573 1.00 0.00 C ATOM 907 O GLY A 799 -8.431 -8.982 -1.927 1.00 0.00 O ATOM 0 H GLY A 799 -12.310 -9.019 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.244 -9.907 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.172 -10.797 -1.408 1.00 0.00 H new ATOM 911 N SER A 800 -10.149 -7.547 -1.691 1.00 0.00 N ATOM 912 CA SER A 800 -9.425 -6.414 -2.255 1.00 0.00 C ATOM 913 C SER A 800 -9.476 -5.215 -1.313 1.00 0.00 C ATOM 914 O SER A 800 -10.529 -4.881 -0.772 1.00 0.00 O ATOM 915 CB SER A 800 -10.008 -6.035 -3.617 1.00 0.00 C ATOM 916 OG SER A 800 -9.599 -6.949 -4.620 1.00 0.00 O ATOM 0 H SER A 800 -11.104 -7.336 -1.403 1.00 0.00 H new ATOM 0 HA SER A 800 -8.383 -6.707 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.096 -6.018 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.688 -5.028 -3.886 1.00 0.00 H new ATOM 0 HG SER A 800 -9.987 -6.685 -5.481 1.00 0.00 H new ATOM 922 N ARG A 801 -8.326 -4.577 -1.118 1.00 0.00 N ATOM 923 CA ARG A 801 -8.230 -3.420 -0.237 1.00 0.00 C ATOM 924 C ARG A 801 -8.601 -2.134 -0.961 1.00 0.00 C ATOM 925 O ARG A 801 -8.754 -2.110 -2.182 1.00 0.00 O ATOM 926 CB ARG A 801 -6.812 -3.286 0.312 1.00 0.00 C ATOM 927 CG ARG A 801 -6.580 -4.036 1.607 1.00 0.00 C ATOM 928 CD ARG A 801 -5.126 -4.458 1.739 1.00 0.00 C ATOM 929 NE ARG A 801 -4.761 -4.774 3.117 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.119 -3.938 3.931 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.815 -2.704 3.537 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.791 -4.335 5.152 1.00 0.00 N ATOM 0 H ARG A 801 -7.446 -4.843 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 801 -8.933 -3.578 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.108 -3.648 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.593 -2.230 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.857 -3.405 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.222 -4.916 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -4.945 -5.329 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.484 -3.658 1.370 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.014 -5.693 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -4.074 -2.389 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.323 -2.073 4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.030 -5.276 5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.299 -3.699 5.780 1.00 0.00 H new ATOM 946 N GLU A 802 -8.725 -1.063 -0.188 1.00 0.00 N ATOM 947 CA GLU A 802 -9.055 0.246 -0.729 1.00 0.00 C ATOM 948 C GLU A 802 -8.059 1.284 -0.218 1.00 0.00 C ATOM 949 O GLU A 802 -7.297 1.014 0.709 1.00 0.00 O ATOM 950 CB GLU A 802 -10.483 0.639 -0.346 1.00 0.00 C ATOM 951 CG GLU A 802 -11.483 0.471 -1.480 1.00 0.00 C ATOM 952 CD GLU A 802 -12.589 1.507 -1.439 1.00 0.00 C ATOM 953 OE1 GLU A 802 -12.339 2.658 -1.856 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.705 1.168 -0.990 1.00 0.00 O ATOM 0 H GLU A 802 -8.600 -1.078 0.824 1.00 0.00 H new ATOM 0 HA GLU A 802 -8.994 0.204 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.803 0.034 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.490 1.678 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -10.960 0.540 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.921 -0.526 -1.428 1.00 0.00 H new ATOM 961 N VAL A 803 -8.055 2.462 -0.831 1.00 0.00 N ATOM 962 CA VAL A 803 -7.132 3.518 -0.433 1.00 0.00 C ATOM 963 C VAL A 803 -7.842 4.649 0.303 1.00 0.00 C ATOM 964 O VAL A 803 -8.928 5.076 -0.091 1.00 0.00 O ATOM 965 CB VAL A 803 -6.396 4.110 -1.649 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.286 5.046 -1.196 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.846 3.001 -2.535 1.00 0.00 C ATOM 0 H VAL A 803 -8.677 2.709 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.412 3.052 0.240 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.109 4.688 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.776 5.455 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.713 5.860 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.572 4.494 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.330 3.440 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.147 2.391 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.667 2.377 -2.889 1.00 0.00 H new ATOM 977 N ILE A 804 -7.207 5.144 1.363 1.00 0.00 N ATOM 978 CA ILE A 804 -7.764 6.243 2.146 1.00 0.00 C ATOM 979 C ILE A 804 -6.948 7.517 1.938 1.00 0.00 C ATOM 980 O ILE A 804 -7.458 8.625 2.102 1.00 0.00 O ATOM 981 CB ILE A 804 -7.819 5.929 3.663 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.098 4.616 3.990 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.261 5.883 4.139 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.180 4.223 5.450 1.00 0.00 C ATOM 0 H ILE A 804 -6.307 4.801 1.699 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.785 6.383 1.791 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.300 6.729 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.524 3.817 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.050 4.707 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.285 5.662 5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.735 6.848 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.799 5.107 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.647 3.285 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.727 5.003 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.225 4.099 5.735 1.00 0.00 H new ATOM 996 N ALA A 805 -5.677 7.351 1.578 1.00 0.00 N ATOM 997 CA ALA A 805 -4.794 8.489 1.353 1.00 0.00 C ATOM 998 C ALA A 805 -5.008 9.090 -0.037 1.00 0.00 C ATOM 999 O ALA A 805 -4.857 8.402 -1.046 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.339 8.073 1.522 1.00 0.00 C ATOM 0 H ALA A 805 -5.238 6.441 1.437 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.036 9.250 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.692 8.934 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.183 7.697 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.099 7.290 0.803 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.363 10.386 -0.110 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.594 11.072 -1.385 1.00 0.00 C ATOM 1008 C PRO A 806 -4.457 10.877 -2.376 1.00 0.00 C ATOM 1009 O PRO A 806 -3.356 10.467 -2.009 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.698 12.540 -0.983 1.00 0.00 C ATOM 1011 CG PRO A 806 -6.215 12.495 0.406 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.571 11.290 1.037 1.00 0.00 C ATOM 0 HA PRO A 806 -6.477 10.686 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -4.729 13.037 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -6.371 13.088 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -5.960 13.405 0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -7.302 12.410 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.631 11.545 1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.212 10.840 1.795 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.739 11.179 -3.633 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.750 11.045 -4.697 1.00 0.00 C ATOM 1022 C ALA A 807 -3.292 12.414 -5.196 1.00 0.00 C ATOM 1023 O ALA A 807 -4.077 13.360 -5.246 1.00 0.00 O ATOM 1024 CB ALA A 807 -4.319 10.223 -5.844 1.00 0.00 C ATOM 0 H ALA A 807 -5.648 11.520 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.881 10.527 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -3.571 10.131 -6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.589 9.231 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -5.205 10.718 -6.242 1.00 0.00 H new