USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 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 754 CYS SG : rot 33:sc= 0.176 USER MOD Set 1.2: A 801 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 757 TYR OH : rot -152:sc= 0.0729 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -3.26 K(o=-3.3,f=-1.3) USER MOD Single : A 766 SER OG : rot 15:sc= 0.322 USER MOD Single : A 776 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-0.39) USER MOD Single : A 780 SER OG : rot 180:sc= 0.00363 USER MOD Single : A 781 SER OG : rot 180:sc= -0.001 USER MOD Single : A 788 HIS : no HE2:sc= -3.02 K(o=-3,f=-4.7!) USER MOD Single : A 789 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-5.7!) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 749 -8.015 1.343 -4.614 1.00 0.00 N ATOM 105 CA VAL A 749 -7.721 2.365 -5.612 1.00 0.00 C ATOM 106 C VAL A 749 -6.359 2.131 -6.254 1.00 0.00 C ATOM 107 O VAL A 749 -5.394 1.781 -5.576 1.00 0.00 O ATOM 108 CB VAL A 749 -7.751 3.776 -4.996 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.387 4.823 -6.038 1.00 0.00 C ATOM 110 CG2 VAL A 749 -9.117 4.065 -4.392 1.00 0.00 C ATOM 0 HA VAL A 749 -8.496 2.294 -6.375 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.010 3.820 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.414 5.813 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.385 4.625 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -8.101 4.782 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -9.120 5.066 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.879 4.002 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.332 3.334 -3.612 1.00 0.00 H new ATOM 120 N GLU A 750 -6.288 2.329 -7.567 1.00 0.00 N ATOM 121 CA GLU A 750 -5.042 2.139 -8.301 1.00 0.00 C ATOM 122 C GLU A 750 -4.243 3.438 -8.363 1.00 0.00 C ATOM 123 O GLU A 750 -4.801 4.512 -8.581 1.00 0.00 O ATOM 124 CB GLU A 750 -5.330 1.637 -9.718 1.00 0.00 C ATOM 125 CG GLU A 750 -5.555 0.136 -9.798 1.00 0.00 C ATOM 126 CD GLU A 750 -6.424 -0.261 -10.975 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.475 0.381 -11.181 1.00 0.00 O ATOM 128 OE2 GLU A 750 -6.053 -1.215 -11.690 1.00 0.00 O ATOM 0 H GLU A 750 -7.077 2.620 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.449 1.393 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.212 2.149 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.496 1.906 -10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.592 -0.368 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.021 -0.208 -8.875 1.00 0.00 H new ATOM 135 N ALA A 751 -2.933 3.329 -8.168 1.00 0.00 N ATOM 136 CA ALA A 751 -2.057 4.493 -8.202 1.00 0.00 C ATOM 137 C ALA A 751 -0.764 4.186 -8.951 1.00 0.00 C ATOM 138 O ALA A 751 -0.278 3.055 -8.932 1.00 0.00 O ATOM 139 CB ALA A 751 -1.750 4.965 -6.788 1.00 0.00 C ATOM 0 H ALA A 751 -2.455 2.447 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.575 5.290 -8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.095 5.835 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.679 5.234 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.257 4.165 -6.236 1.00 0.00 H new ATOM 145 N VAL A 752 -0.212 5.199 -9.610 1.00 0.00 N ATOM 146 CA VAL A 752 1.025 5.037 -10.365 1.00 0.00 C ATOM 147 C VAL A 752 2.225 5.537 -9.568 1.00 0.00 C ATOM 148 O VAL A 752 2.162 6.583 -8.923 1.00 0.00 O ATOM 149 CB VAL A 752 0.965 5.789 -11.708 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.273 5.628 -12.468 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.209 5.298 -12.541 1.00 0.00 C ATOM 0 H VAL A 752 -0.602 6.141 -9.637 1.00 0.00 H new ATOM 0 HA VAL A 752 1.140 3.971 -10.559 1.00 0.00 H new ATOM 0 HB VAL A 752 0.818 6.850 -11.505 1.00 0.00 H new ATOM 0 HG11 VAL A 752 2.213 6.166 -13.414 1.00 0.00 H new ATOM 0 HG12 VAL A 752 3.092 6.032 -11.873 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.453 4.571 -12.662 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.236 5.840 -13.486 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.095 4.232 -12.737 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.138 5.470 -11.997 1.00 0.00 H new ATOM 161 N ALA A 753 3.317 4.782 -9.618 1.00 0.00 N ATOM 162 CA ALA A 753 4.533 5.150 -8.903 1.00 0.00 C ATOM 163 C ALA A 753 5.252 6.301 -9.598 1.00 0.00 C ATOM 164 O ALA A 753 5.716 6.163 -10.730 1.00 0.00 O ATOM 165 CB ALA A 753 5.457 3.947 -8.779 1.00 0.00 C ATOM 0 H ALA A 753 3.385 3.912 -10.146 1.00 0.00 H new ATOM 0 HA ALA A 753 4.251 5.483 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.361 4.236 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.949 3.153 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.724 3.589 -9.773 1.00 0.00 H new ATOM 171 N CYS A 754 5.339 7.436 -8.914 1.00 0.00 N ATOM 172 CA CYS A 754 6.000 8.613 -9.467 1.00 0.00 C ATOM 173 C CYS A 754 7.452 8.306 -9.819 1.00 0.00 C ATOM 174 O CYS A 754 7.924 8.646 -10.904 1.00 0.00 O ATOM 175 CB CYS A 754 5.939 9.773 -8.472 1.00 0.00 C ATOM 176 SG CYS A 754 4.438 10.773 -8.595 1.00 0.00 S ATOM 0 H CYS A 754 4.960 7.567 -7.976 1.00 0.00 H new ATOM 0 HA CYS A 754 5.476 8.898 -10.379 1.00 0.00 H new ATOM 0 HB2 CYS A 754 6.015 9.374 -7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.805 10.416 -8.627 1.00 0.00 H new ATOM 0 HG CYS A 754 3.441 10.018 -8.950 1.00 0.00 H new ATOM 182 N PHE A 755 8.156 7.662 -8.894 1.00 0.00 N ATOM 183 CA PHE A 755 9.556 7.311 -9.106 1.00 0.00 C ATOM 184 C PHE A 755 9.834 5.883 -8.645 1.00 0.00 C ATOM 185 O PHE A 755 8.966 5.224 -8.074 1.00 0.00 O ATOM 186 CB PHE A 755 10.467 8.287 -8.359 1.00 0.00 C ATOM 187 CG PHE A 755 10.279 9.718 -8.773 1.00 0.00 C ATOM 188 CD1 PHE A 755 9.277 10.491 -8.207 1.00 0.00 C ATOM 189 CD2 PHE A 755 11.103 10.292 -9.728 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.101 11.809 -8.585 1.00 0.00 C ATOM 191 CE2 PHE A 755 10.932 11.609 -10.109 1.00 0.00 C ATOM 192 CZ PHE A 755 9.929 12.368 -9.538 1.00 0.00 C ATOM 0 H PHE A 755 7.781 7.373 -7.991 1.00 0.00 H new ATOM 0 HA PHE A 755 9.764 7.376 -10.174 1.00 0.00 H new ATOM 0 HB2 PHE A 755 10.280 8.199 -7.289 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.506 8.002 -8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 755 8.626 10.058 -7.462 1.00 0.00 H new ATOM 0 HD2 PHE A 755 11.888 9.703 -10.180 1.00 0.00 H new ATOM 0 HE1 PHE A 755 8.317 12.400 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 755 11.582 12.045 -10.853 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.793 13.397 -9.837 1.00 0.00 H new ATOM 202 N ALA A 756 11.051 5.413 -8.897 1.00 0.00 N ATOM 203 CA ALA A 756 11.446 4.065 -8.507 1.00 0.00 C ATOM 204 C ALA A 756 11.791 4.002 -7.023 1.00 0.00 C ATOM 205 O ALA A 756 12.673 4.718 -6.550 1.00 0.00 O ATOM 206 CB ALA A 756 12.626 3.596 -9.346 1.00 0.00 C ATOM 0 H ALA A 756 11.781 5.946 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 756 10.601 3.400 -8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.910 2.588 -9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.345 3.593 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.469 4.270 -9.197 1.00 0.00 H new ATOM 212 N TYR A 757 11.089 3.141 -6.294 1.00 0.00 N ATOM 213 CA TYR A 757 11.320 2.987 -4.862 1.00 0.00 C ATOM 214 C TYR A 757 11.844 1.591 -4.542 1.00 0.00 C ATOM 215 O TYR A 757 11.530 0.622 -5.235 1.00 0.00 O ATOM 216 CB TYR A 757 10.029 3.249 -4.085 1.00 0.00 C ATOM 217 CG TYR A 757 10.248 3.483 -2.608 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.504 4.757 -2.116 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.200 2.430 -1.703 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.705 4.975 -0.767 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.399 2.639 -0.352 1.00 0.00 C ATOM 222 CZ TYR A 757 10.651 3.913 0.111 1.00 0.00 C ATOM 223 OH TYR A 757 10.851 4.125 1.456 1.00 0.00 O ATOM 0 H TYR A 757 10.356 2.540 -6.670 1.00 0.00 H new ATOM 0 HA TYR A 757 12.072 3.716 -4.561 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.528 4.118 -4.512 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.358 2.399 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.547 5.591 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.004 1.430 -2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 757 10.903 5.972 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.357 1.809 0.338 1.00 0.00 H new ATOM 0 HH TYR A 757 11.219 3.314 1.864 1.00 0.00 H new ATOM 233 N THR A 758 12.646 1.494 -3.486 1.00 0.00 N ATOM 234 CA THR A 758 13.215 0.218 -3.072 1.00 0.00 C ATOM 235 C THR A 758 12.973 -0.037 -1.589 1.00 0.00 C ATOM 236 O THR A 758 13.755 0.390 -0.740 1.00 0.00 O ATOM 237 CB THR A 758 14.729 0.161 -3.351 1.00 0.00 C ATOM 238 OG1 THR A 758 14.974 0.298 -4.755 1.00 0.00 O ATOM 239 CG2 THR A 758 15.323 -1.147 -2.852 1.00 0.00 C ATOM 0 H THR A 758 12.916 2.285 -2.902 1.00 0.00 H new ATOM 0 HA THR A 758 12.716 -0.555 -3.657 1.00 0.00 H new ATOM 0 HB THR A 758 15.205 0.984 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.939 0.262 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.393 -1.164 -3.060 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.161 -1.234 -1.778 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.841 -1.983 -3.360 1.00 0.00 H new ATOM 247 N GLY A 759 11.885 -0.738 -1.283 1.00 0.00 N ATOM 248 CA GLY A 759 11.561 -1.038 0.099 1.00 0.00 C ATOM 249 C GLY A 759 12.770 -1.489 0.894 1.00 0.00 C ATOM 250 O GLY A 759 13.509 -2.375 0.464 1.00 0.00 O ATOM 0 H GLY A 759 11.223 -1.103 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 759 11.131 -0.153 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.799 -1.817 0.129 1.00 0.00 H new ATOM 254 N ARG A 760 12.974 -0.878 2.056 1.00 0.00 N ATOM 255 CA ARG A 760 14.104 -1.220 2.911 1.00 0.00 C ATOM 256 C ARG A 760 13.894 -2.578 3.573 1.00 0.00 C ATOM 257 O ARG A 760 14.820 -3.385 3.669 1.00 0.00 O ATOM 258 CB ARG A 760 14.305 -0.145 3.982 1.00 0.00 C ATOM 259 CG ARG A 760 15.093 1.060 3.495 1.00 0.00 C ATOM 260 CD ARG A 760 15.592 1.905 4.656 1.00 0.00 C ATOM 261 NE ARG A 760 14.523 2.700 5.254 1.00 0.00 N ATOM 262 CZ ARG A 760 14.612 3.270 6.451 1.00 0.00 C ATOM 263 NH1 ARG A 760 15.715 3.133 7.173 1.00 0.00 N ATOM 264 NH2 ARG A 760 13.596 3.978 6.927 1.00 0.00 N ATOM 0 H ARG A 760 12.371 -0.143 2.427 1.00 0.00 H new ATOM 0 HA ARG A 760 14.996 -1.273 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.330 0.189 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.821 -0.586 4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 760 15.940 0.725 2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.465 1.668 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 760 16.029 1.256 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.385 2.567 4.308 1.00 0.00 H new ATOM 0 HE ARG A 760 13.661 2.825 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 760 16.498 2.589 6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 760 15.781 3.571 8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 760 12.746 4.085 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 760 13.665 4.415 7.846 1.00 0.00 H new ATOM 278 N THR A 761 12.670 -2.826 4.028 1.00 0.00 N ATOM 279 CA THR A 761 12.338 -4.086 4.681 1.00 0.00 C ATOM 280 C THR A 761 10.983 -4.607 4.215 1.00 0.00 C ATOM 281 O THR A 761 10.274 -3.936 3.466 1.00 0.00 O ATOM 282 CB THR A 761 12.318 -3.935 6.214 1.00 0.00 C ATOM 283 OG1 THR A 761 11.292 -3.014 6.602 1.00 0.00 O ATOM 284 CG2 THR A 761 13.664 -3.449 6.728 1.00 0.00 C ATOM 0 H THR A 761 11.892 -2.170 3.956 1.00 0.00 H new ATOM 0 HA THR A 761 13.113 -4.800 4.403 1.00 0.00 H new ATOM 0 HB THR A 761 12.112 -4.912 6.651 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.285 -2.925 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.625 -3.350 7.813 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.438 -4.167 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.895 -2.481 6.284 1.00 0.00 H new ATOM 292 N ALA A 762 10.629 -5.807 4.665 1.00 0.00 N ATOM 293 CA ALA A 762 9.358 -6.416 4.296 1.00 0.00 C ATOM 294 C ALA A 762 8.220 -5.405 4.380 1.00 0.00 C ATOM 295 O ALA A 762 7.486 -5.202 3.413 1.00 0.00 O ATOM 296 CB ALA A 762 9.068 -7.615 5.187 1.00 0.00 C ATOM 0 H ALA A 762 11.205 -6.376 5.285 1.00 0.00 H new ATOM 0 HA ALA A 762 9.433 -6.755 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.115 -8.060 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 762 9.862 -8.353 5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.019 -7.292 6.227 1.00 0.00 H new ATOM 302 N GLN A 763 8.078 -4.775 5.541 1.00 0.00 N ATOM 303 CA GLN A 763 7.028 -3.786 5.750 1.00 0.00 C ATOM 304 C GLN A 763 6.830 -2.929 4.504 1.00 0.00 C ATOM 305 O GLN A 763 5.701 -2.692 4.076 1.00 0.00 O ATOM 306 CB GLN A 763 7.367 -2.895 6.947 1.00 0.00 C ATOM 307 CG GLN A 763 6.144 -2.372 7.682 1.00 0.00 C ATOM 308 CD GLN A 763 6.399 -1.044 8.367 1.00 0.00 C ATOM 309 OE1 GLN A 763 6.143 -0.889 9.562 1.00 0.00 O ATOM 310 NE2 GLN A 763 6.906 -0.076 7.613 1.00 0.00 N ATOM 0 H GLN A 763 8.677 -4.932 6.352 1.00 0.00 H new ATOM 0 HA GLN A 763 6.099 -4.319 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 763 7.986 -3.458 7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 763 7.963 -2.050 6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 763 5.321 -2.260 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 763 5.830 -3.105 8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 763 7.103 -0.248 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 763 7.099 0.839 8.020 1.00 0.00 H new ATOM 319 N GLU A 764 7.936 -2.468 3.927 1.00 0.00 N ATOM 320 CA GLU A 764 7.883 -1.637 2.731 1.00 0.00 C ATOM 321 C GLU A 764 7.831 -2.498 1.472 1.00 0.00 C ATOM 322 O GLU A 764 8.132 -3.692 1.510 1.00 0.00 O ATOM 323 CB GLU A 764 9.096 -0.706 2.675 1.00 0.00 C ATOM 324 CG GLU A 764 9.081 0.377 3.740 1.00 0.00 C ATOM 325 CD GLU A 764 10.015 1.527 3.416 1.00 0.00 C ATOM 326 OE1 GLU A 764 11.068 1.279 2.794 1.00 0.00 O ATOM 327 OE2 GLU A 764 9.692 2.675 3.786 1.00 0.00 O ATOM 0 H GLU A 764 8.878 -2.656 4.269 1.00 0.00 H new ATOM 0 HA GLU A 764 6.975 -1.036 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 764 10.004 -1.299 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.138 -0.237 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.066 0.758 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 764 9.365 -0.057 4.699 1.00 0.00 H new ATOM 334 N LEU A 765 7.446 -1.885 0.358 1.00 0.00 N ATOM 335 CA LEU A 765 7.354 -2.594 -0.913 1.00 0.00 C ATOM 336 C LEU A 765 8.347 -2.031 -1.925 1.00 0.00 C ATOM 337 O LEU A 765 8.893 -0.945 -1.734 1.00 0.00 O ATOM 338 CB LEU A 765 5.932 -2.500 -1.470 1.00 0.00 C ATOM 339 CG LEU A 765 4.883 -3.378 -0.786 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.482 -2.950 -1.193 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.114 -4.844 -1.122 1.00 0.00 C ATOM 0 H LEU A 765 7.192 -0.898 0.309 1.00 0.00 H new ATOM 0 HA LEU A 765 7.600 -3.641 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.606 -1.462 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 765 5.960 -2.760 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 765 4.980 -3.254 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.749 -3.586 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.319 -1.912 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.372 -3.045 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.359 -5.454 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.045 -4.985 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.104 -5.144 -0.780 1.00 0.00 H new ATOM 353 N SER A 766 8.574 -2.776 -3.002 1.00 0.00 N ATOM 354 CA SER A 766 9.502 -2.352 -4.043 1.00 0.00 C ATOM 355 C SER A 766 8.829 -2.370 -5.412 1.00 0.00 C ATOM 356 O SER A 766 8.254 -3.379 -5.821 1.00 0.00 O ATOM 357 CB SER A 766 10.735 -3.258 -4.057 1.00 0.00 C ATOM 358 OG SER A 766 10.411 -4.553 -4.532 1.00 0.00 O ATOM 0 H SER A 766 8.128 -3.676 -3.176 1.00 0.00 H new ATOM 0 HA SER A 766 9.813 -1.330 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.506 -2.818 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.149 -3.329 -3.051 1.00 0.00 H new ATOM 0 HG SER A 766 9.532 -4.532 -4.964 1.00 0.00 H new ATOM 364 N PHE A 767 8.903 -1.245 -6.116 1.00 0.00 N ATOM 365 CA PHE A 767 8.300 -1.130 -7.439 1.00 0.00 C ATOM 366 C PHE A 767 9.030 -0.086 -8.280 1.00 0.00 C ATOM 367 O PHE A 767 9.597 0.868 -7.748 1.00 0.00 O ATOM 368 CB PHE A 767 6.821 -0.761 -7.317 1.00 0.00 C ATOM 369 CG PHE A 767 6.560 0.363 -6.355 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.887 1.667 -6.688 1.00 0.00 C ATOM 371 CD2 PHE A 767 5.989 0.114 -5.118 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.648 2.704 -5.805 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.747 1.147 -4.231 1.00 0.00 C ATOM 374 CZ PHE A 767 6.079 2.443 -4.575 1.00 0.00 C ATOM 0 H PHE A 767 9.374 -0.400 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 767 8.386 -2.096 -7.937 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.442 -0.482 -8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.261 -1.640 -6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.334 1.876 -7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.730 -0.898 -4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.906 3.717 -6.077 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.299 0.941 -3.270 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.894 3.251 -3.883 1.00 0.00 H new ATOM 384 N ARG A 768 9.010 -0.276 -9.595 1.00 0.00 N ATOM 385 CA ARG A 768 9.670 0.647 -10.510 1.00 0.00 C ATOM 386 C ARG A 768 8.713 1.748 -10.957 1.00 0.00 C ATOM 387 O ARG A 768 7.497 1.553 -10.984 1.00 0.00 O ATOM 388 CB ARG A 768 10.204 -0.106 -11.730 1.00 0.00 C ATOM 389 CG ARG A 768 11.372 0.590 -12.412 1.00 0.00 C ATOM 390 CD ARG A 768 12.637 0.507 -11.572 1.00 0.00 C ATOM 391 NE ARG A 768 13.152 -0.858 -11.493 1.00 0.00 N ATOM 392 CZ ARG A 768 12.790 -1.727 -10.556 1.00 0.00 C ATOM 393 NH1 ARG A 768 11.914 -1.376 -9.624 1.00 0.00 N ATOM 394 NH2 ARG A 768 13.303 -2.950 -10.550 1.00 0.00 N ATOM 0 H ARG A 768 8.544 -1.061 -10.051 1.00 0.00 H new ATOM 0 HA ARG A 768 10.505 1.108 -9.982 1.00 0.00 H new ATOM 0 HB2 ARG A 768 10.516 -1.104 -11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 768 9.396 -0.232 -12.451 1.00 0.00 H new ATOM 0 HG2 ARG A 768 11.550 0.134 -13.386 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.120 1.635 -12.590 1.00 0.00 H new ATOM 0 HD2 ARG A 768 13.400 1.158 -11.999 1.00 0.00 H new ATOM 0 HD3 ARG A 768 12.430 0.875 -10.567 1.00 0.00 H new ATOM 0 HE ARG A 768 13.827 -1.160 -12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 768 11.516 -0.437 -9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 768 11.638 -2.045 -8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 768 13.976 -3.224 -11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 768 13.024 -3.616 -9.830 1.00 0.00 H new ATOM 408 N ARG A 769 9.269 2.903 -11.305 1.00 0.00 N ATOM 409 CA ARG A 769 8.465 4.035 -11.748 1.00 0.00 C ATOM 410 C ARG A 769 7.428 3.596 -12.778 1.00 0.00 C ATOM 411 O ARG A 769 7.764 2.978 -13.787 1.00 0.00 O ATOM 412 CB ARG A 769 9.361 5.123 -12.344 1.00 0.00 C ATOM 413 CG ARG A 769 8.590 6.243 -13.024 1.00 0.00 C ATOM 414 CD ARG A 769 9.428 6.926 -14.093 1.00 0.00 C ATOM 415 NE ARG A 769 10.646 7.513 -13.542 1.00 0.00 N ATOM 416 CZ ARG A 769 11.683 7.886 -14.283 1.00 0.00 C ATOM 417 NH1 ARG A 769 11.649 7.734 -15.600 1.00 0.00 N ATOM 418 NH2 ARG A 769 12.757 8.412 -13.708 1.00 0.00 N ATOM 0 H ARG A 769 10.273 3.080 -11.289 1.00 0.00 H new ATOM 0 HA ARG A 769 7.943 4.438 -10.880 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.978 5.547 -11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 769 10.038 4.668 -13.067 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.682 5.841 -13.474 1.00 0.00 H new ATOM 0 HG3 ARG A 769 8.279 6.976 -12.280 1.00 0.00 H new ATOM 0 HD2 ARG A 769 9.691 6.202 -14.864 1.00 0.00 H new ATOM 0 HD3 ARG A 769 8.836 7.704 -14.575 1.00 0.00 H new ATOM 0 HE ARG A 769 10.704 7.644 -12.532 1.00 0.00 H new ATOM 0 HH11 ARG A 769 10.825 7.330 -16.046 1.00 0.00 H new ATOM 0 HH12 ARG A 769 12.447 8.021 -16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 769 12.787 8.530 -12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 769 13.553 8.698 -14.279 1.00 0.00 H new ATOM 432 N GLY A 770 6.165 3.918 -12.514 1.00 0.00 N ATOM 433 CA GLY A 770 5.099 3.548 -13.426 1.00 0.00 C ATOM 434 C GLY A 770 4.323 2.336 -12.949 1.00 0.00 C ATOM 435 O GLY A 770 3.112 2.245 -13.154 1.00 0.00 O ATOM 0 H GLY A 770 5.862 4.428 -11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.416 4.390 -13.543 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.522 3.341 -14.409 1.00 0.00 H new ATOM 439 N ASP A 771 5.021 1.401 -12.313 1.00 0.00 N ATOM 440 CA ASP A 771 4.390 0.188 -11.806 1.00 0.00 C ATOM 441 C ASP A 771 3.179 0.525 -10.943 1.00 0.00 C ATOM 442 O ASP A 771 3.315 1.086 -9.855 1.00 0.00 O ATOM 443 CB ASP A 771 5.394 -0.635 -10.999 1.00 0.00 C ATOM 444 CG ASP A 771 6.417 -1.326 -11.879 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.031 -1.832 -12.954 1.00 0.00 O ATOM 446 OD2 ASP A 771 7.604 -1.361 -11.493 1.00 0.00 O ATOM 0 H ASP A 771 6.024 1.460 -12.136 1.00 0.00 H new ATOM 0 HA ASP A 771 4.052 -0.400 -12.659 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.908 0.016 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.859 -1.382 -10.413 1.00 0.00 H new ATOM 451 N VAL A 772 1.993 0.181 -11.435 1.00 0.00 N ATOM 452 CA VAL A 772 0.757 0.447 -10.709 1.00 0.00 C ATOM 453 C VAL A 772 0.677 -0.388 -9.436 1.00 0.00 C ATOM 454 O VAL A 772 1.270 -1.464 -9.348 1.00 0.00 O ATOM 455 CB VAL A 772 -0.480 0.156 -11.580 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.758 0.438 -10.804 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.432 0.973 -12.862 1.00 0.00 C ATOM 0 H VAL A 772 1.862 -0.283 -12.334 1.00 0.00 H new ATOM 0 HA VAL A 772 0.766 1.505 -10.446 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.474 -0.900 -11.849 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.621 0.227 -11.435 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.793 -0.196 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.777 1.485 -10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.313 0.755 -13.465 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.414 2.035 -12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.465 0.715 -13.424 1.00 0.00 H new ATOM 467 N LEU A 773 -0.061 0.113 -8.452 1.00 0.00 N ATOM 468 CA LEU A 773 -0.220 -0.588 -7.182 1.00 0.00 C ATOM 469 C LEU A 773 -1.643 -0.437 -6.652 1.00 0.00 C ATOM 470 O LEU A 773 -2.273 0.606 -6.823 1.00 0.00 O ATOM 471 CB LEU A 773 0.779 -0.054 -6.154 1.00 0.00 C ATOM 472 CG LEU A 773 2.117 0.434 -6.709 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.764 1.422 -5.751 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.046 -0.743 -6.972 1.00 0.00 C ATOM 0 H LEU A 773 -0.559 1.002 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 773 -0.026 -1.647 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.310 0.769 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 773 0.976 -0.841 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 773 1.932 0.944 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.715 1.758 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.105 2.279 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 773 2.936 0.938 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 773 3.994 -0.377 -7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.224 -1.281 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.586 -1.415 -7.697 1.00 0.00 H new ATOM 486 N ARG A 774 -2.141 -1.486 -6.005 1.00 0.00 N ATOM 487 CA ARG A 774 -3.489 -1.470 -5.449 1.00 0.00 C ATOM 488 C ARG A 774 -3.473 -0.990 -4.000 1.00 0.00 C ATOM 489 O ARG A 774 -2.942 -1.665 -3.117 1.00 0.00 O ATOM 490 CB ARG A 774 -4.113 -2.865 -5.529 1.00 0.00 C ATOM 491 CG ARG A 774 -4.460 -3.296 -6.944 1.00 0.00 C ATOM 492 CD ARG A 774 -5.689 -2.567 -7.464 1.00 0.00 C ATOM 493 NE ARG A 774 -6.008 -2.943 -8.839 1.00 0.00 N ATOM 494 CZ ARG A 774 -6.626 -4.071 -9.167 1.00 0.00 C ATOM 495 NH1 ARG A 774 -6.990 -4.930 -8.225 1.00 0.00 N ATOM 496 NH2 ARG A 774 -6.881 -4.343 -10.441 1.00 0.00 N ATOM 0 H ARG A 774 -1.632 -2.357 -5.853 1.00 0.00 H new ATOM 0 HA ARG A 774 -4.090 -0.777 -6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.422 -3.588 -5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -5.017 -2.885 -4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -3.614 -3.100 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -4.638 -4.371 -6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -6.541 -2.788 -6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -5.521 -1.491 -7.412 1.00 0.00 H new ATOM 0 HE ARG A 774 -5.741 -2.304 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -6.795 -4.725 -7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -7.465 -5.796 -8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -6.602 -3.685 -11.169 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -7.356 -5.210 -10.692 1.00 0.00 H new ATOM 510 N LEU A 775 -4.059 0.178 -3.763 1.00 0.00 N ATOM 511 CA LEU A 775 -4.112 0.749 -2.422 1.00 0.00 C ATOM 512 C LEU A 775 -5.285 0.177 -1.633 1.00 0.00 C ATOM 513 O LEU A 775 -6.384 0.733 -1.642 1.00 0.00 O ATOM 514 CB LEU A 775 -4.230 2.273 -2.499 1.00 0.00 C ATOM 515 CG LEU A 775 -3.200 2.981 -3.380 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.418 4.486 -3.350 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.787 2.636 -2.932 1.00 0.00 C ATOM 0 H LEU A 775 -4.504 0.748 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.188 0.488 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.226 2.522 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.153 2.675 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.329 2.636 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.676 4.974 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.417 4.716 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.317 4.848 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.068 3.149 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.645 2.953 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.635 1.559 -3.006 1.00 0.00 H new ATOM 529 N HIS A 776 -5.044 -0.937 -0.948 1.00 0.00 N ATOM 530 CA HIS A 776 -6.080 -1.583 -0.151 1.00 0.00 C ATOM 531 C HIS A 776 -6.795 -0.569 0.737 1.00 0.00 C ATOM 532 O HIS A 776 -8.004 -0.371 0.618 1.00 0.00 O ATOM 533 CB HIS A 776 -5.473 -2.692 0.710 1.00 0.00 C ATOM 534 CG HIS A 776 -4.763 -3.745 -0.084 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.416 -4.974 0.436 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.335 -3.748 -1.368 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.804 -5.686 -0.493 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.742 -4.965 -1.598 1.00 0.00 N ATOM 0 H HIS A 776 -4.141 -1.410 -0.929 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.809 -2.020 -0.834 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.773 -2.249 1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.264 -3.161 1.295 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.603 -5.285 1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.440 -2.943 -2.080 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.420 -6.688 -0.370 1.00 0.00 H new ATOM 546 N GLU A 777 -6.040 0.069 1.625 1.00 0.00 N ATOM 547 CA GLU A 777 -6.603 1.062 2.533 1.00 0.00 C ATOM 548 C GLU A 777 -5.502 1.912 3.161 1.00 0.00 C ATOM 549 O GLU A 777 -4.388 1.438 3.384 1.00 0.00 O ATOM 550 CB GLU A 777 -7.421 0.376 3.630 1.00 0.00 C ATOM 551 CG GLU A 777 -8.252 1.339 4.461 1.00 0.00 C ATOM 552 CD GLU A 777 -9.423 1.916 3.689 1.00 0.00 C ATOM 553 OE1 GLU A 777 -10.066 1.159 2.933 1.00 0.00 O ATOM 554 OE2 GLU A 777 -9.696 3.125 3.843 1.00 0.00 O ATOM 0 H GLU A 777 -5.038 -0.084 1.735 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.257 1.715 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.082 -0.360 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.745 -0.169 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -8.624 0.822 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.617 2.152 4.811 1.00 0.00 H new ATOM 561 N ARG A 778 -5.823 3.170 3.442 1.00 0.00 N ATOM 562 CA ARG A 778 -4.861 4.088 4.042 1.00 0.00 C ATOM 563 C ARG A 778 -4.116 3.418 5.192 1.00 0.00 C ATOM 564 O ARG A 778 -4.727 2.810 6.071 1.00 0.00 O ATOM 565 CB ARG A 778 -5.571 5.347 4.544 1.00 0.00 C ATOM 566 CG ARG A 778 -4.625 6.496 4.854 1.00 0.00 C ATOM 567 CD ARG A 778 -4.131 7.169 3.583 1.00 0.00 C ATOM 568 NE ARG A 778 -5.017 8.249 3.156 1.00 0.00 N ATOM 569 CZ ARG A 778 -5.160 9.389 3.822 1.00 0.00 C ATOM 570 NH1 ARG A 778 -4.480 9.597 4.941 1.00 0.00 N ATOM 571 NH2 ARG A 778 -5.986 10.324 3.369 1.00 0.00 N ATOM 0 H ARG A 778 -6.741 3.577 3.264 1.00 0.00 H new ATOM 0 HA ARG A 778 -4.137 4.368 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -6.291 5.672 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.137 5.101 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.134 7.228 5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.774 6.124 5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -3.129 7.566 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.053 6.428 2.787 1.00 0.00 H new ATOM 0 HE ARG A 778 -5.555 8.120 2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -3.845 8.880 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -4.592 10.474 5.450 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -6.511 10.167 2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -6.095 11.199 3.881 1.00 0.00 H new ATOM 585 N ALA A 779 -2.792 3.534 5.180 1.00 0.00 N ATOM 586 CA ALA A 779 -1.963 2.941 6.222 1.00 0.00 C ATOM 587 C ALA A 779 -1.506 3.995 7.225 1.00 0.00 C ATOM 588 O ALA A 779 -1.529 3.766 8.434 1.00 0.00 O ATOM 589 CB ALA A 779 -0.762 2.239 5.606 1.00 0.00 C ATOM 0 H ALA A 779 -2.270 4.034 4.460 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.564 2.205 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.152 1.801 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.105 1.452 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.167 2.960 5.046 1.00 0.00 H new ATOM 595 N SER A 780 -1.090 5.150 6.715 1.00 0.00 N ATOM 596 CA SER A 780 -0.623 6.237 7.567 1.00 0.00 C ATOM 597 C SER A 780 -0.890 7.591 6.915 1.00 0.00 C ATOM 598 O SER A 780 -1.514 7.670 5.857 1.00 0.00 O ATOM 599 CB SER A 780 0.871 6.083 7.854 1.00 0.00 C ATOM 600 OG SER A 780 1.206 6.624 9.120 1.00 0.00 O ATOM 0 H SER A 780 -1.067 5.357 5.716 1.00 0.00 H new ATOM 0 HA SER A 780 -1.173 6.190 8.507 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.144 5.028 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.447 6.585 7.077 1.00 0.00 H new ATOM 0 HG SER A 780 2.166 6.511 9.280 1.00 0.00 H new ATOM 606 N SER A 781 -0.412 8.653 7.555 1.00 0.00 N ATOM 607 CA SER A 781 -0.601 10.005 7.040 1.00 0.00 C ATOM 608 C SER A 781 -0.037 10.132 5.629 1.00 0.00 C ATOM 609 O SER A 781 -0.703 10.641 4.726 1.00 0.00 O ATOM 610 CB SER A 781 0.069 11.023 7.964 1.00 0.00 C ATOM 611 OG SER A 781 1.428 10.690 8.189 1.00 0.00 O ATOM 0 H SER A 781 0.109 8.604 8.431 1.00 0.00 H new ATOM 0 HA SER A 781 -1.671 10.208 7.004 1.00 0.00 H new ATOM 0 HB2 SER A 781 0.003 12.018 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 781 -0.462 11.060 8.915 1.00 0.00 H new ATOM 0 HG SER A 781 1.834 11.357 8.781 1.00 0.00 H new ATOM 617 N ASP A 782 1.193 9.667 5.446 1.00 0.00 N ATOM 618 CA ASP A 782 1.848 9.727 4.144 1.00 0.00 C ATOM 619 C ASP A 782 2.233 8.331 3.665 1.00 0.00 C ATOM 620 O ASP A 782 3.306 8.135 3.093 1.00 0.00 O ATOM 621 CB ASP A 782 3.090 10.617 4.215 1.00 0.00 C ATOM 622 CG ASP A 782 2.782 12.067 3.902 1.00 0.00 C ATOM 623 OD1 ASP A 782 2.435 12.363 2.739 1.00 0.00 O ATOM 624 OD2 ASP A 782 2.889 12.908 4.819 1.00 0.00 O ATOM 0 H ASP A 782 1.758 9.244 6.183 1.00 0.00 H new ATOM 0 HA ASP A 782 1.145 10.155 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.526 10.548 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 782 3.838 10.248 3.514 1.00 0.00 H new ATOM 629 N TRP A 783 1.353 7.366 3.902 1.00 0.00 N ATOM 630 CA TRP A 783 1.602 5.988 3.495 1.00 0.00 C ATOM 631 C TRP A 783 0.294 5.267 3.186 1.00 0.00 C ATOM 632 O TRP A 783 -0.778 5.696 3.613 1.00 0.00 O ATOM 633 CB TRP A 783 2.364 5.240 4.591 1.00 0.00 C ATOM 634 CG TRP A 783 3.798 5.658 4.708 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.295 6.681 5.465 1.00 0.00 C ATOM 636 CD2 TRP A 783 4.920 5.066 4.045 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.658 6.759 5.313 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.066 5.779 4.448 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.069 4.001 3.153 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.341 5.460 3.987 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.335 3.686 2.696 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.457 4.413 3.114 1.00 0.00 C ATOM 0 H TRP A 783 0.461 7.512 4.374 1.00 0.00 H new ATOM 0 HA TRP A 783 2.208 6.007 2.589 1.00 0.00 H new ATOM 0 HB2 TRP A 783 1.866 5.404 5.547 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.320 4.170 4.388 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.703 7.333 6.091 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.267 7.437 5.770 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.210 3.434 2.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.208 6.019 4.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.461 2.866 2.005 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.433 4.142 2.740 1.00 0.00 H new ATOM 653 N TRP A 784 0.390 4.171 2.442 1.00 0.00 N ATOM 654 CA TRP A 784 -0.787 3.391 2.076 1.00 0.00 C ATOM 655 C TRP A 784 -0.502 1.896 2.176 1.00 0.00 C ATOM 656 O TRP A 784 0.629 1.487 2.440 1.00 0.00 O ATOM 657 CB TRP A 784 -1.237 3.743 0.657 1.00 0.00 C ATOM 658 CG TRP A 784 -1.738 5.150 0.525 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.987 6.290 0.521 1.00 0.00 C ATOM 660 CD2 TRP A 784 -3.101 5.564 0.380 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.801 7.389 0.383 1.00 0.00 N ATOM 662 CE2 TRP A 784 -3.102 6.970 0.293 1.00 0.00 C ATOM 663 CE3 TRP A 784 -4.320 4.884 0.313 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -4.275 7.705 0.144 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.483 5.615 0.166 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.454 7.014 0.082 1.00 0.00 C ATOM 0 H TRP A 784 1.270 3.802 2.081 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.587 3.637 2.775 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.402 3.596 -0.028 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -2.025 3.054 0.352 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.089 6.323 0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.487 8.359 0.353 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.352 3.806 0.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -4.255 8.783 0.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.431 5.100 0.115 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -6.380 7.557 -0.034 1.00 0.00 H new ATOM 677 N ARG A 785 -1.534 1.086 1.962 1.00 0.00 N ATOM 678 CA ARG A 785 -1.393 -0.363 2.029 1.00 0.00 C ATOM 679 C ARG A 785 -1.741 -1.006 0.689 1.00 0.00 C ATOM 680 O ARG A 785 -2.875 -0.912 0.220 1.00 0.00 O ATOM 681 CB ARG A 785 -2.290 -0.934 3.129 1.00 0.00 C ATOM 682 CG ARG A 785 -1.707 -0.790 4.525 1.00 0.00 C ATOM 683 CD ARG A 785 -2.242 -1.860 5.465 1.00 0.00 C ATOM 684 NE ARG A 785 -1.537 -3.129 5.308 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.690 -4.161 6.129 1.00 0.00 C ATOM 686 NH1 ARG A 785 -2.520 -4.075 7.160 1.00 0.00 N ATOM 687 NH2 ARG A 785 -1.013 -5.283 5.920 1.00 0.00 N ATOM 0 H ARG A 785 -2.476 1.409 1.741 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.353 -0.591 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.257 -0.432 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.471 -1.990 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.620 -0.858 4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.947 0.197 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -2.147 -1.518 6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -3.305 -2.010 5.276 1.00 0.00 H new ATOM 0 HE ARG A 785 -0.891 -3.228 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -3.043 -3.214 7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -2.636 -4.869 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -0.374 -5.353 5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -1.131 -6.075 6.551 1.00 0.00 H new ATOM 701 N GLY A 786 -0.758 -1.659 0.078 1.00 0.00 N ATOM 702 CA GLY A 786 -0.980 -2.307 -1.201 1.00 0.00 C ATOM 703 C GLY A 786 -0.191 -3.593 -1.345 1.00 0.00 C ATOM 704 O GLY A 786 0.542 -3.983 -0.437 1.00 0.00 O ATOM 0 H GLY A 786 0.189 -1.751 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.042 -2.522 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.704 -1.623 -2.004 1.00 0.00 H new ATOM 708 N GLU A 787 -0.343 -4.255 -2.488 1.00 0.00 N ATOM 709 CA GLU A 787 0.360 -5.506 -2.745 1.00 0.00 C ATOM 710 C GLU A 787 1.003 -5.494 -4.129 1.00 0.00 C ATOM 711 O GLU A 787 0.398 -5.045 -5.103 1.00 0.00 O ATOM 712 CB GLU A 787 -0.602 -6.690 -2.627 1.00 0.00 C ATOM 713 CG GLU A 787 -0.222 -7.873 -3.503 1.00 0.00 C ATOM 714 CD GLU A 787 -0.851 -7.805 -4.880 1.00 0.00 C ATOM 715 OE1 GLU A 787 -1.801 -7.014 -5.060 1.00 0.00 O ATOM 716 OE2 GLU A 787 -0.395 -8.543 -5.778 1.00 0.00 O ATOM 0 H GLU A 787 -0.946 -3.946 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 787 1.148 -5.611 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.638 -7.015 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.606 -6.359 -2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 787 0.863 -7.911 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -0.529 -8.797 -3.013 1.00 0.00 H new ATOM 723 N HIS A 788 2.233 -5.991 -4.207 1.00 0.00 N ATOM 724 CA HIS A 788 2.959 -6.039 -5.471 1.00 0.00 C ATOM 725 C HIS A 788 3.099 -7.476 -5.964 1.00 0.00 C ATOM 726 O HIS A 788 2.580 -8.406 -5.349 1.00 0.00 O ATOM 727 CB HIS A 788 4.342 -5.405 -5.313 1.00 0.00 C ATOM 728 CG HIS A 788 4.851 -4.758 -6.564 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.190 -4.542 -6.809 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.190 -4.279 -7.645 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.332 -3.957 -7.985 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.134 -3.787 -8.513 1.00 0.00 N ATOM 0 H HIS A 788 2.748 -6.366 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 788 2.390 -5.474 -6.210 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.302 -4.660 -4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 788 5.050 -6.171 -4.996 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.953 -4.794 -6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.121 -4.283 -7.796 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.269 -3.667 -8.437 1.00 0.00 H new ATOM 740 N ASN A 789 3.802 -7.648 -7.079 1.00 0.00 N ATOM 741 CA ASN A 789 4.008 -8.972 -7.655 1.00 0.00 C ATOM 742 C ASN A 789 4.600 -9.928 -6.624 1.00 0.00 C ATOM 743 O ASN A 789 5.814 -9.974 -6.429 1.00 0.00 O ATOM 744 CB ASN A 789 4.930 -8.883 -8.873 1.00 0.00 C ATOM 745 CG ASN A 789 4.857 -10.121 -9.746 1.00 0.00 C ATOM 746 OD1 ASN A 789 5.786 -10.928 -9.777 1.00 0.00 O ATOM 747 ND2 ASN A 789 3.748 -10.276 -10.460 1.00 0.00 N ATOM 0 H ASN A 789 4.238 -6.888 -7.601 1.00 0.00 H new ATOM 0 HA ASN A 789 3.039 -9.359 -7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.662 -8.008 -9.465 1.00 0.00 H new ATOM 0 HB3 ASN A 789 5.957 -8.738 -8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 789 3.641 -11.090 -11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 789 3.003 -9.581 -10.403 1.00 0.00 H new ATOM 754 N GLY A 790 3.732 -10.692 -5.966 1.00 0.00 N ATOM 755 CA GLY A 790 4.187 -11.637 -4.964 1.00 0.00 C ATOM 756 C GLY A 790 4.713 -10.953 -3.718 1.00 0.00 C ATOM 757 O GLY A 790 5.353 -11.584 -2.878 1.00 0.00 O ATOM 0 H GLY A 790 2.722 -10.673 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 790 3.364 -12.298 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.971 -12.263 -5.389 1.00 0.00 H new ATOM 761 N MET A 791 4.443 -9.657 -3.598 1.00 0.00 N ATOM 762 CA MET A 791 4.894 -8.886 -2.445 1.00 0.00 C ATOM 763 C MET A 791 3.730 -8.144 -1.797 1.00 0.00 C ATOM 764 O MET A 791 2.716 -7.876 -2.444 1.00 0.00 O ATOM 765 CB MET A 791 5.979 -7.891 -2.863 1.00 0.00 C ATOM 766 CG MET A 791 7.390 -8.444 -2.741 1.00 0.00 C ATOM 767 SD MET A 791 7.771 -9.014 -1.074 1.00 0.00 S ATOM 768 CE MET A 791 9.211 -8.016 -0.696 1.00 0.00 C ATOM 0 H MET A 791 3.914 -9.119 -4.285 1.00 0.00 H new ATOM 0 HA MET A 791 5.309 -9.581 -1.715 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.804 -7.588 -3.895 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.894 -6.994 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.514 -9.271 -3.441 1.00 0.00 H new ATOM 0 HG3 MET A 791 8.104 -7.673 -3.029 1.00 0.00 H new ATOM 0 HE1 MET A 791 9.566 -8.254 0.307 1.00 0.00 H new ATOM 0 HE2 MET A 791 9.999 -8.226 -1.419 1.00 0.00 H new ATOM 0 HE3 MET A 791 8.945 -6.960 -0.745 1.00 0.00 H new ATOM 778 N ARG A 792 3.880 -7.816 -0.519 1.00 0.00 N ATOM 779 CA ARG A 792 2.840 -7.107 0.216 1.00 0.00 C ATOM 780 C ARG A 792 3.448 -6.212 1.292 1.00 0.00 C ATOM 781 O ARG A 792 4.334 -6.631 2.035 1.00 0.00 O ATOM 782 CB ARG A 792 1.868 -8.101 0.854 1.00 0.00 C ATOM 783 CG ARG A 792 1.143 -8.977 -0.155 1.00 0.00 C ATOM 784 CD ARG A 792 -0.071 -9.652 0.465 1.00 0.00 C ATOM 785 NE ARG A 792 -0.578 -10.738 -0.369 1.00 0.00 N ATOM 786 CZ ARG A 792 -1.762 -11.313 -0.187 1.00 0.00 C ATOM 787 NH1 ARG A 792 -2.556 -10.907 0.793 1.00 0.00 N ATOM 788 NH2 ARG A 792 -2.153 -12.296 -0.988 1.00 0.00 N ATOM 0 H ARG A 792 4.713 -8.030 0.030 1.00 0.00 H new ATOM 0 HA ARG A 792 2.296 -6.479 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.416 -8.738 1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 792 1.132 -7.551 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.829 -8.372 -1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.826 -9.735 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 792 0.194 -10.043 1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.858 -8.914 0.617 1.00 0.00 H new ATOM 0 HE ARG A 792 0.009 -11.074 -1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -2.259 -10.151 1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -3.464 -11.350 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 792 -1.545 -12.611 -1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 792 -3.062 -12.737 -0.848 1.00 0.00 H new ATOM 802 N GLY A 793 2.965 -4.975 1.368 1.00 0.00 N ATOM 803 CA GLY A 793 3.473 -4.040 2.355 1.00 0.00 C ATOM 804 C GLY A 793 2.854 -2.663 2.222 1.00 0.00 C ATOM 805 O GLY A 793 1.745 -2.520 1.705 1.00 0.00 O ATOM 0 H GLY A 793 2.231 -4.604 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.276 -4.429 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.555 -3.960 2.252 1.00 0.00 H new ATOM 809 N LEU A 794 3.569 -1.646 2.690 1.00 0.00 N ATOM 810 CA LEU A 794 3.083 -0.273 2.622 1.00 0.00 C ATOM 811 C LEU A 794 3.442 0.367 1.284 1.00 0.00 C ATOM 812 O LEU A 794 4.148 -0.229 0.470 1.00 0.00 O ATOM 813 CB LEU A 794 3.668 0.553 3.769 1.00 0.00 C ATOM 814 CG LEU A 794 3.427 0.011 5.178 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.502 0.506 6.132 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.045 0.410 5.674 1.00 0.00 C ATOM 0 H LEU A 794 4.488 -1.747 3.121 1.00 0.00 H new ATOM 0 HA LEU A 794 1.997 -0.293 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.743 0.642 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.254 1.560 3.713 1.00 0.00 H new ATOM 0 HG LEU A 794 3.477 -1.077 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.313 0.110 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.479 0.168 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.485 1.595 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.891 0.016 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 794 1.966 1.497 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.287 0.004 5.004 1.00 0.00 H new ATOM 828 N ILE A 795 2.954 1.583 1.066 1.00 0.00 N ATOM 829 CA ILE A 795 3.227 2.304 -0.171 1.00 0.00 C ATOM 830 C ILE A 795 3.412 3.795 0.091 1.00 0.00 C ATOM 831 O ILE A 795 2.608 4.436 0.768 1.00 0.00 O ATOM 832 CB ILE A 795 2.094 2.112 -1.196 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.177 0.719 -1.824 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.163 3.187 -2.270 1.00 0.00 C ATOM 835 CD1 ILE A 795 0.979 0.370 -2.680 1.00 0.00 C ATOM 0 H ILE A 795 2.368 2.090 1.729 1.00 0.00 H new ATOM 0 HA ILE A 795 4.150 1.892 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 795 1.138 2.202 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.079 0.657 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.276 -0.023 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.356 3.037 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.061 4.169 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.122 3.126 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.106 -0.631 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.076 0.400 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 795 0.891 1.090 -3.494 1.00 0.00 H new ATOM 847 N PRO A 796 4.496 4.362 -0.458 1.00 0.00 N ATOM 848 CA PRO A 796 4.812 5.785 -0.299 1.00 0.00 C ATOM 849 C PRO A 796 3.838 6.682 -1.056 1.00 0.00 C ATOM 850 O PRO A 796 3.672 6.552 -2.269 1.00 0.00 O ATOM 851 CB PRO A 796 6.219 5.905 -0.890 1.00 0.00 C ATOM 852 CG PRO A 796 6.321 4.775 -1.856 1.00 0.00 C ATOM 853 CD PRO A 796 5.498 3.659 -1.277 1.00 0.00 C ATOM 0 HA PRO A 796 4.744 6.104 0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.359 6.865 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 796 6.982 5.833 -0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 796 5.948 5.066 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.358 4.467 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.030 3.059 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.105 2.982 -0.676 1.00 0.00 H new ATOM 861 N HIS A 797 3.196 7.594 -0.332 1.00 0.00 N ATOM 862 CA HIS A 797 2.239 8.514 -0.936 1.00 0.00 C ATOM 863 C HIS A 797 2.958 9.605 -1.725 1.00 0.00 C ATOM 864 O HIS A 797 2.341 10.331 -2.505 1.00 0.00 O ATOM 865 CB HIS A 797 1.356 9.145 0.141 1.00 0.00 C ATOM 866 CG HIS A 797 0.507 10.271 -0.364 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.862 10.176 -0.503 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.839 11.521 -0.763 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.335 11.320 -0.967 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.323 12.152 -1.133 1.00 0.00 N ATOM 0 H HIS A 797 3.321 7.715 0.673 1.00 0.00 H new ATOM 0 HA HIS A 797 1.611 7.947 -1.623 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.710 8.376 0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 797 1.989 9.512 0.949 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.833 11.943 -0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.372 11.537 -1.175 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.393 13.109 -1.480 1.00 0.00 H new ATOM 878 N LYS A 798 4.265 9.715 -1.517 1.00 0.00 N ATOM 879 CA LYS A 798 5.069 10.716 -2.208 1.00 0.00 C ATOM 880 C LYS A 798 5.551 10.191 -3.556 1.00 0.00 C ATOM 881 O LYS A 798 5.679 10.948 -4.519 1.00 0.00 O ATOM 882 CB LYS A 798 6.269 11.120 -1.347 1.00 0.00 C ATOM 883 CG LYS A 798 7.273 11.995 -2.076 1.00 0.00 C ATOM 884 CD LYS A 798 6.928 13.469 -1.946 1.00 0.00 C ATOM 885 CE LYS A 798 7.942 14.345 -2.664 1.00 0.00 C ATOM 886 NZ LYS A 798 7.914 15.748 -2.166 1.00 0.00 N ATOM 0 H LYS A 798 4.791 9.123 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 798 4.443 11.591 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.910 11.650 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.772 10.220 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.271 11.817 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.300 11.719 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 798 5.935 13.649 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 798 6.891 13.743 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 798 8.941 13.931 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 798 7.737 14.335 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 8.619 16.313 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 6.968 16.152 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 8.135 15.760 -1.150 1.00 0.00 H new ATOM 900 N TYR A 799 5.816 8.890 -3.619 1.00 0.00 N ATOM 901 CA TYR A 799 6.285 8.264 -4.849 1.00 0.00 C ATOM 902 C TYR A 799 5.124 7.650 -5.625 1.00 0.00 C ATOM 903 O TYR A 799 5.313 6.731 -6.423 1.00 0.00 O ATOM 904 CB TYR A 799 7.328 7.190 -4.535 1.00 0.00 C ATOM 905 CG TYR A 799 8.604 7.741 -3.940 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.580 8.505 -2.780 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.834 7.498 -4.538 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.743 9.011 -2.233 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.003 7.998 -3.998 1.00 0.00 C ATOM 910 CZ TYR A 799 10.952 8.754 -2.846 1.00 0.00 C ATOM 911 OH TYR A 799 12.114 9.256 -2.305 1.00 0.00 O ATOM 0 H TYR A 799 5.714 8.249 -2.832 1.00 0.00 H new ATOM 0 HA TYR A 799 6.744 9.036 -5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.896 6.468 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.568 6.649 -5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.635 8.707 -2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.877 6.908 -5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.706 9.604 -1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 799 11.951 7.798 -4.475 1.00 0.00 H new ATOM 0 HH TYR A 799 12.876 8.983 -2.857 1.00 0.00 H new ATOM 921 N ILE A 800 3.923 8.165 -5.384 1.00 0.00 N ATOM 922 CA ILE A 800 2.730 7.669 -6.061 1.00 0.00 C ATOM 923 C ILE A 800 1.732 8.795 -6.310 1.00 0.00 C ATOM 924 O ILE A 800 1.719 9.798 -5.597 1.00 0.00 O ATOM 925 CB ILE A 800 2.042 6.559 -5.246 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.632 7.085 -3.869 1.00 0.00 C ATOM 927 CG2 ILE A 800 2.963 5.356 -5.106 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.240 7.678 -3.839 1.00 0.00 C ATOM 0 H ILE A 800 3.750 8.925 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 800 3.056 7.258 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 800 1.143 6.245 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.687 6.271 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.348 7.843 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.462 4.580 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.209 4.969 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.878 5.656 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.016 8.031 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.185 8.514 -4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.486 6.917 -4.127 1.00 0.00 H new ATOM 940 N THR A 801 0.894 8.621 -7.328 1.00 0.00 N ATOM 941 CA THR A 801 -0.109 9.620 -7.672 1.00 0.00 C ATOM 942 C THR A 801 -1.517 9.046 -7.567 1.00 0.00 C ATOM 943 O THR A 801 -1.899 8.167 -8.341 1.00 0.00 O ATOM 944 CB THR A 801 0.106 10.165 -9.097 1.00 0.00 C ATOM 945 OG1 THR A 801 1.453 10.629 -9.246 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.863 11.299 -9.395 1.00 0.00 C ATOM 0 H THR A 801 0.891 7.797 -7.929 1.00 0.00 H new ATOM 0 HA THR A 801 0.001 10.436 -6.958 1.00 0.00 H new ATOM 0 HB THR A 801 -0.079 9.356 -9.804 1.00 0.00 H new ATOM 0 HG1 THR A 801 1.582 10.972 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.692 11.667 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.887 10.935 -9.310 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.706 12.109 -8.683 1.00 0.00 H new ATOM 954 N LEU A 802 -2.285 9.546 -6.606 1.00 0.00 N ATOM 955 CA LEU A 802 -3.653 9.083 -6.400 1.00 0.00 C ATOM 956 C LEU A 802 -4.597 9.701 -7.426 1.00 0.00 C ATOM 957 O LEU A 802 -4.378 10.806 -7.921 1.00 0.00 O ATOM 958 CB LEU A 802 -4.121 9.428 -4.985 1.00 0.00 C ATOM 959 CG LEU A 802 -3.344 8.775 -3.842 1.00 0.00 C ATOM 960 CD1 LEU A 802 -3.707 9.419 -2.513 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.612 7.278 -3.802 1.00 0.00 C ATOM 0 H LEU A 802 -1.984 10.273 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.668 8.000 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -4.070 10.510 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.170 9.146 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.279 8.929 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.144 8.941 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.463 10.481 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -4.774 9.297 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.051 6.830 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.677 7.103 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.300 6.827 -4.744 1.00 0.00 H new ATOM 973 N PRO A 803 -5.675 8.972 -7.752 1.00 0.00 N ATOM 974 CA PRO A 803 -6.676 9.430 -8.720 1.00 0.00 C ATOM 975 C PRO A 803 -7.504 10.596 -8.190 1.00 0.00 C ATOM 976 O PRO A 803 -7.257 11.097 -7.094 1.00 0.00 O ATOM 977 CB PRO A 803 -7.560 8.197 -8.926 1.00 0.00 C ATOM 978 CG PRO A 803 -7.408 7.408 -7.671 1.00 0.00 C ATOM 979 CD PRO A 803 -5.999 7.646 -7.201 1.00 0.00 C ATOM 0 HA PRO A 803 -6.217 9.801 -9.636 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.600 8.479 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -7.242 7.622 -9.796 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -8.130 7.728 -6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.585 6.348 -7.852 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.931 7.635 -6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.317 6.880 -7.570 1.00 0.00 H new