USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 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 761 THR OG1 : rot 180:sc= -0.901 USER MOD Set 1.2: A 763 GLN : amide:sc= -0.0149 X(o=-0.92,f=-0.9) USER MOD Single : A 754 CYS SG : rot 78:sc= -0.0216 USER MOD Single : A 757 TYR OH : rot 180:sc= 0 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 30:sc= 0.0994 USER MOD Single : A 776 HIS : no HE2:sc= -2.17 X(o=-2.2,f=-1.8) USER MOD Single : A 780 SER OG : rot 180:sc= 0.00146 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 788 HIS : no HE2:sc= -6.24! C(o=-6.2!,f=-7!) USER MOD Single : A 789 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.013) USER MOD Single : A 791 MET CE :methyl -154:sc= 0 (180deg=-0.751) USER MOD Single : A 797 HIS : no HD1:sc= -1.97! C(o=-2!,f=-8.9!) USER MOD Single : A 798 LYS NZ :NH3+ -161:sc= -0.0339 (180deg=-0.302) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 749 -8.173 1.771 -4.327 1.00 0.00 N ATOM 105 CA VAL A 749 -7.713 2.816 -5.233 1.00 0.00 C ATOM 106 C VAL A 749 -6.405 2.420 -5.909 1.00 0.00 C ATOM 107 O VAL A 749 -5.471 1.958 -5.253 1.00 0.00 O ATOM 108 CB VAL A 749 -7.512 4.152 -4.494 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.101 5.245 -5.469 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.778 4.542 -3.746 1.00 0.00 C ATOM 0 HA VAL A 749 -8.487 2.942 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.710 4.028 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.964 6.182 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.166 4.966 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.878 5.372 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.618 5.488 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.600 4.649 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.024 3.768 -3.018 1.00 0.00 H new ATOM 120 N GLU A 750 -6.344 2.604 -7.224 1.00 0.00 N ATOM 121 CA GLU A 750 -5.150 2.265 -7.988 1.00 0.00 C ATOM 122 C GLU A 750 -4.258 3.489 -8.175 1.00 0.00 C ATOM 123 O GLU A 750 -4.652 4.467 -8.810 1.00 0.00 O ATOM 124 CB GLU A 750 -5.536 1.690 -9.352 1.00 0.00 C ATOM 125 CG GLU A 750 -5.827 0.199 -9.323 1.00 0.00 C ATOM 126 CD GLU A 750 -6.743 -0.239 -10.450 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.713 0.490 -10.744 1.00 0.00 O ATOM 128 OE2 GLU A 750 -6.489 -1.311 -11.038 1.00 0.00 O ATOM 0 H GLU A 750 -7.108 2.986 -7.782 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.594 1.513 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.415 2.216 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.729 1.880 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.889 -0.352 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.283 -0.060 -8.368 1.00 0.00 H new ATOM 135 N ALA A 751 -3.054 3.427 -7.615 1.00 0.00 N ATOM 136 CA ALA A 751 -2.105 4.529 -7.720 1.00 0.00 C ATOM 137 C ALA A 751 -0.899 4.136 -8.567 1.00 0.00 C ATOM 138 O ALA A 751 -0.542 2.960 -8.650 1.00 0.00 O ATOM 139 CB ALA A 751 -1.658 4.975 -6.336 1.00 0.00 C ATOM 0 H ALA A 751 -2.713 2.626 -7.084 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.606 5.362 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.950 5.798 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.524 5.305 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.179 4.141 -5.822 1.00 0.00 H new ATOM 145 N VAL A 752 -0.274 5.127 -9.195 1.00 0.00 N ATOM 146 CA VAL A 752 0.892 4.884 -10.035 1.00 0.00 C ATOM 147 C VAL A 752 2.171 5.346 -9.346 1.00 0.00 C ATOM 148 O VAL A 752 2.155 6.282 -8.548 1.00 0.00 O ATOM 149 CB VAL A 752 0.766 5.602 -11.392 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.996 5.345 -12.249 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.499 5.160 -12.113 1.00 0.00 C ATOM 0 H VAL A 752 -0.556 6.106 -9.138 1.00 0.00 H new ATOM 0 HA VAL A 752 0.941 3.808 -10.204 1.00 0.00 H new ATOM 0 HB VAL A 752 0.697 6.675 -11.211 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.889 5.860 -13.204 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.882 5.716 -11.734 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.100 4.274 -12.424 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.572 5.677 -13.070 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.463 4.084 -12.284 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.369 5.402 -11.503 1.00 0.00 H new ATOM 161 N ALA A 753 3.279 4.682 -9.660 1.00 0.00 N ATOM 162 CA ALA A 753 4.568 5.025 -9.073 1.00 0.00 C ATOM 163 C ALA A 753 5.330 6.007 -9.957 1.00 0.00 C ATOM 164 O ALA A 753 5.973 5.611 -10.929 1.00 0.00 O ATOM 165 CB ALA A 753 5.395 3.768 -8.843 1.00 0.00 C ATOM 0 H ALA A 753 3.309 3.903 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 753 4.385 5.507 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.355 4.039 -8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.862 3.101 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.561 3.262 -9.794 1.00 0.00 H new ATOM 171 N CYS A 754 5.252 7.288 -9.613 1.00 0.00 N ATOM 172 CA CYS A 754 5.933 8.327 -10.377 1.00 0.00 C ATOM 173 C CYS A 754 7.442 8.106 -10.369 1.00 0.00 C ATOM 174 O CYS A 754 8.117 8.325 -11.375 1.00 0.00 O ATOM 175 CB CYS A 754 5.604 9.707 -9.806 1.00 0.00 C ATOM 176 SG CYS A 754 6.249 9.989 -8.140 1.00 0.00 S ATOM 0 H CYS A 754 4.724 7.632 -8.811 1.00 0.00 H new ATOM 0 HA CYS A 754 5.582 8.276 -11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 754 6.005 10.470 -10.473 1.00 0.00 H new ATOM 0 HB3 CYS A 754 4.521 9.834 -9.791 1.00 0.00 H new ATOM 0 HG CYS A 754 7.521 10.250 -8.206 1.00 0.00 H new ATOM 182 N PHE A 755 7.966 7.674 -9.227 1.00 0.00 N ATOM 183 CA PHE A 755 9.396 7.426 -9.087 1.00 0.00 C ATOM 184 C PHE A 755 9.657 6.004 -8.601 1.00 0.00 C ATOM 185 O PHE A 755 8.785 5.370 -8.006 1.00 0.00 O ATOM 186 CB PHE A 755 10.016 8.431 -8.114 1.00 0.00 C ATOM 187 CG PHE A 755 9.901 9.857 -8.571 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.518 10.276 -9.739 1.00 0.00 C ATOM 189 CD2 PHE A 755 9.176 10.779 -7.833 1.00 0.00 C ATOM 190 CE1 PHE A 755 10.414 11.588 -10.161 1.00 0.00 C ATOM 191 CE2 PHE A 755 9.068 12.092 -8.250 1.00 0.00 C ATOM 192 CZ PHE A 755 9.687 12.497 -9.417 1.00 0.00 C ATOM 0 H PHE A 755 7.422 7.488 -8.385 1.00 0.00 H new ATOM 0 HA PHE A 755 9.858 7.546 -10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.533 8.329 -7.142 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.069 8.187 -7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 755 11.086 9.570 -10.326 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.689 10.468 -6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 755 10.901 11.902 -11.072 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.501 12.800 -7.665 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.603 13.522 -9.747 1.00 0.00 H new ATOM 202 N ALA A 756 10.863 5.508 -8.859 1.00 0.00 N ATOM 203 CA ALA A 756 11.240 4.162 -8.447 1.00 0.00 C ATOM 204 C ALA A 756 11.655 4.132 -6.980 1.00 0.00 C ATOM 205 O ALA A 756 12.512 4.906 -6.552 1.00 0.00 O ATOM 206 CB ALA A 756 12.364 3.636 -9.327 1.00 0.00 C ATOM 0 H ALA A 756 11.596 6.019 -9.352 1.00 0.00 H new ATOM 0 HA ALA A 756 10.370 3.516 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.635 2.630 -9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.032 3.610 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.231 4.291 -9.240 1.00 0.00 H new ATOM 212 N TYR A 757 11.043 3.236 -6.215 1.00 0.00 N ATOM 213 CA TYR A 757 11.347 3.108 -4.795 1.00 0.00 C ATOM 214 C TYR A 757 11.880 1.715 -4.475 1.00 0.00 C ATOM 215 O TYR A 757 11.528 0.735 -5.133 1.00 0.00 O ATOM 216 CB TYR A 757 10.100 3.394 -3.957 1.00 0.00 C ATOM 217 CG TYR A 757 10.391 3.598 -2.487 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.840 4.825 -2.012 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.219 2.566 -1.574 1.00 0.00 C ATOM 220 CE1 TYR A 757 11.109 5.017 -0.671 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.483 2.749 -0.230 1.00 0.00 C ATOM 222 CZ TYR A 757 10.928 3.976 0.216 1.00 0.00 C ATOM 223 OH TYR A 757 11.194 4.162 1.553 1.00 0.00 O ATOM 0 H TYR A 757 10.333 2.587 -6.554 1.00 0.00 H new ATOM 0 HA TYR A 757 12.118 3.838 -4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.606 4.284 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.400 2.566 -4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.981 5.642 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 757 9.873 1.603 -1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.459 5.976 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.342 1.936 0.467 1.00 0.00 H new ATOM 0 HH TYR A 757 11.014 3.331 2.041 1.00 0.00 H new ATOM 233 N THR A 758 12.732 1.633 -3.457 1.00 0.00 N ATOM 234 CA THR A 758 13.315 0.362 -3.049 1.00 0.00 C ATOM 235 C THR A 758 13.202 0.164 -1.541 1.00 0.00 C ATOM 236 O THR A 758 14.103 0.531 -0.788 1.00 0.00 O ATOM 237 CB THR A 758 14.797 0.266 -3.458 1.00 0.00 C ATOM 238 OG1 THR A 758 14.919 0.354 -4.882 1.00 0.00 O ATOM 239 CG2 THR A 758 15.410 -1.038 -2.971 1.00 0.00 C ATOM 0 H THR A 758 13.033 2.433 -2.900 1.00 0.00 H new ATOM 0 HA THR A 758 12.754 -0.421 -3.559 1.00 0.00 H new ATOM 0 HB THR A 758 15.333 1.095 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.864 0.294 -5.134 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.457 -1.083 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.342 -1.088 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.871 -1.879 -3.407 1.00 0.00 H new ATOM 247 N GLY A 759 12.089 -0.419 -1.107 1.00 0.00 N ATOM 248 CA GLY A 759 11.880 -0.656 0.309 1.00 0.00 C ATOM 249 C GLY A 759 13.132 -1.151 1.006 1.00 0.00 C ATOM 250 O GLY A 759 13.966 -1.820 0.396 1.00 0.00 O ATOM 0 H GLY A 759 11.328 -0.731 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 759 11.545 0.267 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 759 11.083 -1.388 0.438 1.00 0.00 H new ATOM 254 N ARG A 760 13.265 -0.820 2.286 1.00 0.00 N ATOM 255 CA ARG A 760 14.426 -1.234 3.065 1.00 0.00 C ATOM 256 C ARG A 760 14.118 -2.490 3.874 1.00 0.00 C ATOM 257 O ARG A 760 14.981 -3.350 4.059 1.00 0.00 O ATOM 258 CB ARG A 760 14.866 -0.106 4.001 1.00 0.00 C ATOM 259 CG ARG A 760 15.884 0.837 3.381 1.00 0.00 C ATOM 260 CD ARG A 760 16.823 1.411 4.431 1.00 0.00 C ATOM 261 NE ARG A 760 18.012 0.584 4.612 1.00 0.00 N ATOM 262 CZ ARG A 760 18.767 0.612 5.705 1.00 0.00 C ATOM 263 NH1 ARG A 760 18.458 1.422 6.708 1.00 0.00 N ATOM 264 NH2 ARG A 760 19.834 -0.171 5.796 1.00 0.00 N ATOM 0 H ARG A 760 12.584 -0.267 2.806 1.00 0.00 H new ATOM 0 HA ARG A 760 15.236 -1.459 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.989 0.467 4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 760 15.290 -0.541 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 760 16.462 0.304 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 760 15.366 1.649 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 760 17.122 2.417 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.295 1.499 5.380 1.00 0.00 H new ATOM 0 HE ARG A 760 18.278 -0.050 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 760 17.639 2.026 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 760 19.040 1.441 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 760 20.076 -0.795 5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 760 20.413 -0.149 6.636 1.00 0.00 H new ATOM 278 N THR A 761 12.883 -2.591 4.355 1.00 0.00 N ATOM 279 CA THR A 761 12.462 -3.740 5.146 1.00 0.00 C ATOM 280 C THR A 761 11.306 -4.474 4.477 1.00 0.00 C ATOM 281 O THR A 761 10.830 -4.066 3.418 1.00 0.00 O ATOM 282 CB THR A 761 12.036 -3.320 6.565 1.00 0.00 C ATOM 283 OG1 THR A 761 11.195 -2.162 6.502 1.00 0.00 O ATOM 284 CG2 THR A 761 13.252 -3.024 7.430 1.00 0.00 C ATOM 0 H THR A 761 12.156 -1.890 4.210 1.00 0.00 H new ATOM 0 HA THR A 761 13.321 -4.407 5.215 1.00 0.00 H new ATOM 0 HB THR A 761 11.483 -4.145 7.014 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.927 -1.902 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 761 12.926 -2.729 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 761 13.874 -3.916 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.828 -2.214 6.983 1.00 0.00 H new ATOM 292 N ALA A 762 10.858 -5.558 5.102 1.00 0.00 N ATOM 293 CA ALA A 762 9.755 -6.347 4.567 1.00 0.00 C ATOM 294 C ALA A 762 8.493 -5.502 4.426 1.00 0.00 C ATOM 295 O ALA A 762 7.814 -5.551 3.401 1.00 0.00 O ATOM 296 CB ALA A 762 9.488 -7.552 5.457 1.00 0.00 C ATOM 0 H ALA A 762 11.242 -5.910 5.979 1.00 0.00 H new ATOM 0 HA ALA A 762 10.039 -6.697 3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.662 -8.132 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.381 -8.175 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.229 -7.213 6.460 1.00 0.00 H new ATOM 302 N GLN A 763 8.186 -4.728 5.463 1.00 0.00 N ATOM 303 CA GLN A 763 7.004 -3.874 5.453 1.00 0.00 C ATOM 304 C GLN A 763 6.984 -2.987 4.213 1.00 0.00 C ATOM 305 O GLN A 763 5.945 -2.823 3.574 1.00 0.00 O ATOM 306 CB GLN A 763 6.965 -3.009 6.714 1.00 0.00 C ATOM 307 CG GLN A 763 8.007 -1.902 6.725 1.00 0.00 C ATOM 308 CD GLN A 763 8.214 -1.309 8.105 1.00 0.00 C ATOM 309 OE1 GLN A 763 7.890 -0.147 8.350 1.00 0.00 O ATOM 310 NE2 GLN A 763 8.758 -2.108 9.017 1.00 0.00 N ATOM 0 H GLN A 763 8.738 -4.675 6.319 1.00 0.00 H new ATOM 0 HA GLN A 763 6.123 -4.515 5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 763 5.974 -2.565 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 763 7.114 -3.646 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 763 8.954 -2.296 6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.701 -1.114 6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 763 9.012 -3.065 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 763 8.922 -1.764 9.963 1.00 0.00 H new ATOM 319 N GLU A 764 8.137 -2.417 3.880 1.00 0.00 N ATOM 320 CA GLU A 764 8.250 -1.545 2.716 1.00 0.00 C ATOM 321 C GLU A 764 8.335 -2.363 1.430 1.00 0.00 C ATOM 322 O GLU A 764 9.101 -3.323 1.341 1.00 0.00 O ATOM 323 CB GLU A 764 9.481 -0.645 2.843 1.00 0.00 C ATOM 324 CG GLU A 764 9.382 0.365 3.974 1.00 0.00 C ATOM 325 CD GLU A 764 10.733 0.922 4.379 1.00 0.00 C ATOM 326 OE1 GLU A 764 11.529 1.260 3.477 1.00 0.00 O ATOM 327 OE2 GLU A 764 10.995 1.019 5.596 1.00 0.00 O ATOM 0 H GLU A 764 9.006 -2.543 4.399 1.00 0.00 H new ATOM 0 HA GLU A 764 7.356 -0.922 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 764 10.362 -1.268 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.630 -0.113 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.732 1.185 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 764 8.914 -0.107 4.838 1.00 0.00 H new ATOM 334 N LEU A 765 7.542 -1.976 0.437 1.00 0.00 N ATOM 335 CA LEU A 765 7.525 -2.672 -0.844 1.00 0.00 C ATOM 336 C LEU A 765 8.526 -2.052 -1.814 1.00 0.00 C ATOM 337 O LEU A 765 9.173 -1.053 -1.499 1.00 0.00 O ATOM 338 CB LEU A 765 6.121 -2.635 -1.450 1.00 0.00 C ATOM 339 CG LEU A 765 5.094 -3.579 -0.822 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.697 -3.263 -1.332 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.455 -5.028 -1.113 1.00 0.00 C ATOM 0 H LEU A 765 6.902 -1.184 0.495 1.00 0.00 H new ATOM 0 HA LEU A 765 7.811 -3.709 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.741 -1.616 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.199 -2.869 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 765 5.106 -3.432 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.980 -3.945 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.439 -2.236 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.670 -3.381 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.714 -5.686 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.472 -5.189 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.439 -5.248 -0.698 1.00 0.00 H new ATOM 353 N SER A 766 8.646 -2.648 -2.996 1.00 0.00 N ATOM 354 CA SER A 766 9.568 -2.155 -4.011 1.00 0.00 C ATOM 355 C SER A 766 8.937 -2.226 -5.399 1.00 0.00 C ATOM 356 O SER A 766 8.438 -3.272 -5.814 1.00 0.00 O ATOM 357 CB SER A 766 10.867 -2.964 -3.987 1.00 0.00 C ATOM 358 OG SER A 766 10.606 -4.351 -4.119 1.00 0.00 O ATOM 0 H SER A 766 8.115 -3.474 -3.274 1.00 0.00 H new ATOM 0 HA SER A 766 9.793 -1.113 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.519 -2.635 -4.796 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.398 -2.778 -3.053 1.00 0.00 H new ATOM 0 HG SER A 766 9.791 -4.482 -4.648 1.00 0.00 H new ATOM 364 N PHE A 767 8.964 -1.105 -6.111 1.00 0.00 N ATOM 365 CA PHE A 767 8.394 -1.037 -7.452 1.00 0.00 C ATOM 366 C PHE A 767 9.135 -0.014 -8.307 1.00 0.00 C ATOM 367 O PHE A 767 9.762 0.909 -7.786 1.00 0.00 O ATOM 368 CB PHE A 767 6.908 -0.678 -7.380 1.00 0.00 C ATOM 369 CG PHE A 767 6.606 0.435 -6.418 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.866 1.752 -6.759 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.063 0.163 -5.173 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.589 2.779 -5.876 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.783 1.186 -4.286 1.00 0.00 C ATOM 374 CZ PHE A 767 6.048 2.495 -4.638 1.00 0.00 C ATOM 0 H PHE A 767 9.374 -0.231 -5.782 1.00 0.00 H new ATOM 0 HA PHE A 767 8.502 -2.018 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.563 -0.392 -8.374 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.342 -1.563 -7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.290 1.979 -7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.856 -0.859 -4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.795 3.802 -6.154 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.358 0.962 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.832 3.295 -3.946 1.00 0.00 H new ATOM 384 N ARG A 768 9.058 -0.184 -9.623 1.00 0.00 N ATOM 385 CA ARG A 768 9.723 0.723 -10.551 1.00 0.00 C ATOM 386 C ARG A 768 8.735 1.735 -11.124 1.00 0.00 C ATOM 387 O ARG A 768 7.529 1.489 -11.159 1.00 0.00 O ATOM 388 CB ARG A 768 10.378 -0.066 -11.687 1.00 0.00 C ATOM 389 CG ARG A 768 11.488 0.694 -12.394 1.00 0.00 C ATOM 390 CD ARG A 768 12.745 0.765 -11.542 1.00 0.00 C ATOM 391 NE ARG A 768 13.309 -0.557 -11.286 1.00 0.00 N ATOM 392 CZ ARG A 768 14.583 -0.765 -10.972 1.00 0.00 C ATOM 393 NH1 ARG A 768 15.420 0.259 -10.874 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.021 -1.998 -10.754 1.00 0.00 N ATOM 0 H ARG A 768 8.542 -0.941 -10.070 1.00 0.00 H new ATOM 0 HA ARG A 768 10.494 1.264 -10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 768 10.783 -0.995 -11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 768 9.615 -0.339 -12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 768 11.717 0.207 -13.342 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.148 1.703 -12.628 1.00 0.00 H new ATOM 0 HD2 ARG A 768 13.488 1.385 -12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 768 12.513 1.250 -10.594 1.00 0.00 H new ATOM 0 HE ARG A 768 12.691 -1.366 -11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 768 15.086 1.208 -11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 768 16.398 0.097 -10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 768 14.379 -2.788 -10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 768 15.999 -2.157 -10.513 1.00 0.00 H new ATOM 408 N ARG A 769 9.254 2.873 -11.570 1.00 0.00 N ATOM 409 CA ARG A 769 8.418 3.923 -12.139 1.00 0.00 C ATOM 410 C ARG A 769 7.426 3.344 -13.143 1.00 0.00 C ATOM 411 O ARG A 769 7.810 2.639 -14.075 1.00 0.00 O ATOM 412 CB ARG A 769 9.286 4.984 -12.818 1.00 0.00 C ATOM 413 CG ARG A 769 8.485 6.095 -13.479 1.00 0.00 C ATOM 414 CD ARG A 769 9.394 7.124 -14.133 1.00 0.00 C ATOM 415 NE ARG A 769 8.642 8.248 -14.683 1.00 0.00 N ATOM 416 CZ ARG A 769 9.208 9.287 -15.287 1.00 0.00 C ATOM 417 NH1 ARG A 769 10.526 9.344 -15.417 1.00 0.00 N ATOM 418 NH2 ARG A 769 8.456 10.271 -15.762 1.00 0.00 N ATOM 0 H ARG A 769 10.250 3.092 -11.549 1.00 0.00 H new ATOM 0 HA ARG A 769 7.858 4.387 -11.327 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.956 5.422 -12.078 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.912 4.503 -13.569 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.819 5.668 -14.228 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.856 6.584 -12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 769 10.111 7.492 -13.399 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.967 6.648 -14.928 1.00 0.00 H new ATOM 0 HE ARG A 769 7.626 8.235 -14.599 1.00 0.00 H new ATOM 0 HH11 ARG A 769 11.107 8.589 -15.053 1.00 0.00 H new ATOM 0 HH12 ARG A 769 10.959 10.143 -15.881 1.00 0.00 H new ATOM 0 HH21 ARG A 769 7.442 10.231 -15.664 1.00 0.00 H new ATOM 0 HH22 ARG A 769 8.892 11.068 -16.225 1.00 0.00 H new ATOM 432 N GLY A 770 6.146 3.646 -12.945 1.00 0.00 N ATOM 433 CA GLY A 770 5.119 3.147 -13.840 1.00 0.00 C ATOM 434 C GLY A 770 4.387 1.948 -13.271 1.00 0.00 C ATOM 435 O GLY A 770 3.242 1.679 -13.637 1.00 0.00 O ATOM 0 H GLY A 770 5.803 4.227 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.403 3.942 -14.045 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.573 2.873 -14.792 1.00 0.00 H new ATOM 439 N ASP A 771 5.047 1.225 -12.373 1.00 0.00 N ATOM 440 CA ASP A 771 4.452 0.047 -11.753 1.00 0.00 C ATOM 441 C ASP A 771 3.238 0.430 -10.912 1.00 0.00 C ATOM 442 O ASP A 771 3.368 1.088 -9.880 1.00 0.00 O ATOM 443 CB ASP A 771 5.484 -0.673 -10.883 1.00 0.00 C ATOM 444 CG ASP A 771 6.568 -1.342 -11.704 1.00 0.00 C ATOM 445 OD1 ASP A 771 7.024 -0.733 -12.695 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.962 -2.475 -11.356 1.00 0.00 O ATOM 0 H ASP A 771 5.994 1.434 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 771 4.124 -0.625 -12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.940 0.042 -10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.980 -1.422 -10.272 1.00 0.00 H new ATOM 451 N VAL A 772 2.058 0.015 -11.362 1.00 0.00 N ATOM 452 CA VAL A 772 0.821 0.315 -10.652 1.00 0.00 C ATOM 453 C VAL A 772 0.706 -0.511 -9.375 1.00 0.00 C ATOM 454 O VAL A 772 1.082 -1.684 -9.345 1.00 0.00 O ATOM 455 CB VAL A 772 -0.412 0.047 -11.535 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.685 0.469 -10.818 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.278 0.767 -12.868 1.00 0.00 C ATOM 0 H VAL A 772 1.933 -0.530 -12.215 1.00 0.00 H new ATOM 0 HA VAL A 772 0.852 1.374 -10.395 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.472 -1.024 -11.730 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.545 0.272 -11.458 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.785 -0.096 -9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.638 1.534 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.158 0.567 -13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.193 1.840 -12.695 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.613 0.411 -13.386 1.00 0.00 H new ATOM 467 N LEU A 773 0.185 0.109 -8.322 1.00 0.00 N ATOM 468 CA LEU A 773 0.020 -0.569 -7.040 1.00 0.00 C ATOM 469 C LEU A 773 -1.393 -0.373 -6.499 1.00 0.00 C ATOM 470 O LEU A 773 -1.885 0.752 -6.415 1.00 0.00 O ATOM 471 CB LEU A 773 1.043 -0.046 -6.030 1.00 0.00 C ATOM 472 CG LEU A 773 2.367 0.451 -6.610 1.00 0.00 C ATOM 473 CD1 LEU A 773 3.036 1.427 -5.655 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.290 -0.720 -6.913 1.00 0.00 C ATOM 0 H LEU A 773 -0.130 1.079 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 773 0.185 -1.635 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.586 0.770 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.258 -0.841 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 773 2.159 0.974 -7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.977 1.770 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.380 2.282 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.231 0.930 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.228 -0.347 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.491 -1.272 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.813 -1.381 -7.637 1.00 0.00 H new ATOM 486 N ARG A 774 -2.038 -1.475 -6.132 1.00 0.00 N ATOM 487 CA ARG A 774 -3.393 -1.425 -5.597 1.00 0.00 C ATOM 488 C ARG A 774 -3.386 -0.984 -4.137 1.00 0.00 C ATOM 489 O ARG A 774 -2.709 -1.582 -3.300 1.00 0.00 O ATOM 490 CB ARG A 774 -4.066 -2.793 -5.725 1.00 0.00 C ATOM 491 CG ARG A 774 -4.737 -3.019 -7.070 1.00 0.00 C ATOM 492 CD ARG A 774 -6.179 -2.538 -7.061 1.00 0.00 C ATOM 493 NE ARG A 774 -6.842 -2.771 -8.341 1.00 0.00 N ATOM 494 CZ ARG A 774 -8.161 -2.848 -8.483 1.00 0.00 C ATOM 495 NH1 ARG A 774 -8.953 -2.711 -7.429 1.00 0.00 N ATOM 496 NH2 ARG A 774 -8.689 -3.063 -9.681 1.00 0.00 N ATOM 0 H ARG A 774 -1.644 -2.414 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.958 -0.694 -6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.320 -3.572 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.810 -2.898 -4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -4.182 -2.494 -7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -4.708 -4.080 -7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -6.727 -3.051 -6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.205 -1.473 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 774 -6.261 -2.881 -9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -8.550 -2.546 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -9.965 -2.770 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -8.082 -3.169 -10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -9.702 -3.122 -9.789 1.00 0.00 H new ATOM 510 N LEU A 775 -4.143 0.066 -3.837 1.00 0.00 N ATOM 511 CA LEU A 775 -4.223 0.588 -2.478 1.00 0.00 C ATOM 512 C LEU A 775 -5.377 -0.054 -1.715 1.00 0.00 C ATOM 513 O LEU A 775 -6.496 0.461 -1.712 1.00 0.00 O ATOM 514 CB LEU A 775 -4.397 2.108 -2.503 1.00 0.00 C ATOM 515 CG LEU A 775 -3.361 2.889 -3.312 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.773 4.347 -3.442 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.987 2.777 -2.667 1.00 0.00 C ATOM 0 H LEU A 775 -4.710 0.572 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.292 0.343 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.386 2.334 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.377 2.473 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.308 2.458 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -3.023 4.887 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.736 4.409 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.855 4.792 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.262 3.339 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -2.026 3.182 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.688 1.730 -2.627 1.00 0.00 H new ATOM 529 N HIS A 776 -5.098 -1.181 -1.068 1.00 0.00 N ATOM 530 CA HIS A 776 -6.113 -1.893 -0.299 1.00 0.00 C ATOM 531 C HIS A 776 -6.688 -1.002 0.798 1.00 0.00 C ATOM 532 O HIS A 776 -7.904 -0.904 0.956 1.00 0.00 O ATOM 533 CB HIS A 776 -5.520 -3.161 0.317 1.00 0.00 C ATOM 534 CG HIS A 776 -4.932 -4.099 -0.693 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.814 -5.456 -0.480 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.430 -3.868 -1.928 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.262 -6.019 -1.540 1.00 0.00 C ATOM 538 NE2 HIS A 776 -4.020 -5.077 -2.434 1.00 0.00 N ATOM 0 H HIS A 776 -4.178 -1.621 -1.061 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.920 -2.170 -0.978 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.748 -2.880 1.033 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.298 -3.682 0.875 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -5.107 -5.948 0.364 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.364 -2.911 -2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -4.045 -7.071 -1.656 1.00 0.00 H new ATOM 546 N GLU A 777 -5.804 -0.355 1.552 1.00 0.00 N ATOM 547 CA GLU A 777 -6.226 0.526 2.634 1.00 0.00 C ATOM 548 C GLU A 777 -5.233 1.670 2.823 1.00 0.00 C ATOM 549 O GLU A 777 -4.183 1.707 2.180 1.00 0.00 O ATOM 550 CB GLU A 777 -6.366 -0.262 3.938 1.00 0.00 C ATOM 551 CG GLU A 777 -7.238 0.427 4.975 1.00 0.00 C ATOM 552 CD GLU A 777 -8.425 1.140 4.358 1.00 0.00 C ATOM 553 OE1 GLU A 777 -9.149 0.508 3.561 1.00 0.00 O ATOM 554 OE2 GLU A 777 -8.630 2.331 4.673 1.00 0.00 O ATOM 0 H GLU A 777 -4.793 -0.425 1.433 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.195 0.948 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -6.786 -1.243 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -5.375 -0.427 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.595 -0.312 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -6.636 1.146 5.531 1.00 0.00 H new ATOM 561 N ARG A 778 -5.572 2.601 3.708 1.00 0.00 N ATOM 562 CA ARG A 778 -4.713 3.746 3.980 1.00 0.00 C ATOM 563 C ARG A 778 -4.039 3.609 5.342 1.00 0.00 C ATOM 564 O ARG A 778 -4.596 4.008 6.364 1.00 0.00 O ATOM 565 CB ARG A 778 -5.523 5.043 3.928 1.00 0.00 C ATOM 566 CG ARG A 778 -4.736 6.271 4.357 1.00 0.00 C ATOM 567 CD ARG A 778 -3.812 6.755 3.250 1.00 0.00 C ATOM 568 NE ARG A 778 -3.493 8.173 3.384 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.350 9.149 3.106 1.00 0.00 C ATOM 570 NH1 ARG A 778 -5.572 8.861 2.680 1.00 0.00 N ATOM 571 NH2 ARG A 778 -3.986 10.417 3.254 1.00 0.00 N ATOM 0 H ARG A 778 -6.436 2.585 4.249 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.940 3.778 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.888 5.193 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.398 4.941 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.426 7.069 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -4.150 6.037 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.890 6.173 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.282 6.579 2.283 1.00 0.00 H new ATOM 0 HE ARG A 778 -2.561 8.429 3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -5.856 7.888 2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -6.228 9.612 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -3.047 10.643 3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -4.645 11.165 3.040 1.00 0.00 H new ATOM 585 N ALA A 779 -2.837 3.043 5.348 1.00 0.00 N ATOM 586 CA ALA A 779 -2.087 2.854 6.583 1.00 0.00 C ATOM 587 C ALA A 779 -1.957 4.165 7.352 1.00 0.00 C ATOM 588 O ALA A 779 -2.320 4.246 8.525 1.00 0.00 O ATOM 589 CB ALA A 779 -0.711 2.278 6.283 1.00 0.00 C ATOM 0 H ALA A 779 -2.361 2.707 4.510 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.636 2.149 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.162 2.142 7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.821 1.316 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.163 2.963 5.636 1.00 0.00 H new ATOM 595 N SER A 780 -1.435 5.188 6.683 1.00 0.00 N ATOM 596 CA SER A 780 -1.253 6.495 7.305 1.00 0.00 C ATOM 597 C SER A 780 -1.492 7.615 6.297 1.00 0.00 C ATOM 598 O SER A 780 -1.815 7.362 5.136 1.00 0.00 O ATOM 599 CB SER A 780 0.155 6.612 7.891 1.00 0.00 C ATOM 600 OG SER A 780 0.178 7.507 8.989 1.00 0.00 O ATOM 0 H SER A 780 -1.131 5.137 5.711 1.00 0.00 H new ATOM 0 HA SER A 780 -1.983 6.592 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 780 0.502 5.630 8.211 1.00 0.00 H new ATOM 0 HB3 SER A 780 0.845 6.958 7.121 1.00 0.00 H new ATOM 0 HG SER A 780 1.089 7.563 9.347 1.00 0.00 H new ATOM 606 N SER A 781 -1.331 8.854 6.750 1.00 0.00 N ATOM 607 CA SER A 781 -1.532 10.014 5.889 1.00 0.00 C ATOM 608 C SER A 781 -0.373 10.173 4.911 1.00 0.00 C ATOM 609 O SER A 781 -0.451 10.951 3.960 1.00 0.00 O ATOM 610 CB SER A 781 -1.680 11.282 6.733 1.00 0.00 C ATOM 611 OG SER A 781 -2.925 11.303 7.409 1.00 0.00 O ATOM 0 H SER A 781 -1.062 9.081 7.707 1.00 0.00 H new ATOM 0 HA SER A 781 -2.447 9.857 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.868 11.337 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 781 -1.595 12.160 6.093 1.00 0.00 H new ATOM 0 HG SER A 781 -2.994 12.122 7.942 1.00 0.00 H new ATOM 617 N ASP A 782 0.702 9.429 5.151 1.00 0.00 N ATOM 618 CA ASP A 782 1.878 9.486 4.291 1.00 0.00 C ATOM 619 C ASP A 782 2.145 8.129 3.646 1.00 0.00 C ATOM 620 O ASP A 782 2.727 8.049 2.564 1.00 0.00 O ATOM 621 CB ASP A 782 3.101 9.932 5.093 1.00 0.00 C ATOM 622 CG ASP A 782 3.167 11.438 5.258 1.00 0.00 C ATOM 623 OD1 ASP A 782 3.021 12.153 4.245 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.365 11.901 6.401 1.00 0.00 O ATOM 0 H ASP A 782 0.783 8.780 5.934 1.00 0.00 H new ATOM 0 HA ASP A 782 1.686 10.213 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.078 9.462 6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.006 9.584 4.594 1.00 0.00 H new ATOM 629 N TRP A 783 1.716 7.066 4.317 1.00 0.00 N ATOM 630 CA TRP A 783 1.910 5.713 3.809 1.00 0.00 C ATOM 631 C TRP A 783 0.577 5.075 3.436 1.00 0.00 C ATOM 632 O TRP A 783 -0.478 5.497 3.911 1.00 0.00 O ATOM 633 CB TRP A 783 2.627 4.853 4.852 1.00 0.00 C ATOM 634 CG TRP A 783 4.073 5.208 5.023 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.600 6.083 5.930 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.176 4.699 4.266 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.964 6.148 5.782 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.342 5.308 4.768 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.292 3.787 3.214 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.606 5.033 4.253 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.547 3.516 2.703 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.691 4.136 3.223 1.00 0.00 C ATOM 0 H TRP A 783 1.232 7.115 5.213 1.00 0.00 H new ATOM 0 HA TRP A 783 2.526 5.773 2.912 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.119 4.958 5.811 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.549 3.805 4.563 1.00 0.00 H new ATOM 0 HD1 TRP A 783 4.028 6.641 6.656 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.593 6.728 6.337 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.417 3.303 2.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.488 5.511 4.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.648 2.814 1.889 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.658 3.902 2.803 1.00 0.00 H new ATOM 653 N TRP A 784 0.630 4.058 2.583 1.00 0.00 N ATOM 654 CA TRP A 784 -0.575 3.363 2.147 1.00 0.00 C ATOM 655 C TRP A 784 -0.383 1.851 2.206 1.00 0.00 C ATOM 656 O TRP A 784 0.741 1.364 2.323 1.00 0.00 O ATOM 657 CB TRP A 784 -0.947 3.787 0.725 1.00 0.00 C ATOM 658 CG TRP A 784 -1.442 5.199 0.636 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.699 6.337 0.761 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.791 5.620 0.407 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.505 7.442 0.622 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.792 7.029 0.403 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.998 4.946 0.202 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.953 7.772 0.204 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.149 5.684 0.004 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.120 7.085 0.006 1.00 0.00 C ATOM 0 H TRP A 784 1.495 3.697 2.180 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.386 3.634 2.823 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.075 3.674 0.080 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.716 3.115 0.343 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.365 6.365 0.942 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.195 8.412 0.674 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.030 3.866 0.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.933 8.852 0.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.087 5.173 -0.155 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -6.037 7.634 -0.152 1.00 0.00 H new ATOM 677 N ARG A 785 -1.487 1.115 2.124 1.00 0.00 N ATOM 678 CA ARG A 785 -1.439 -0.341 2.169 1.00 0.00 C ATOM 679 C ARG A 785 -1.820 -0.940 0.819 1.00 0.00 C ATOM 680 O ARG A 785 -2.979 -0.889 0.410 1.00 0.00 O ATOM 681 CB ARG A 785 -2.376 -0.870 3.257 1.00 0.00 C ATOM 682 CG ARG A 785 -1.915 -0.546 4.668 1.00 0.00 C ATOM 683 CD ARG A 785 -2.364 -1.610 5.658 1.00 0.00 C ATOM 684 NE ARG A 785 -3.672 -1.306 6.233 1.00 0.00 N ATOM 685 CZ ARG A 785 -4.192 -1.964 7.263 1.00 0.00 C ATOM 686 NH1 ARG A 785 -3.519 -2.957 7.828 1.00 0.00 N ATOM 687 NH2 ARG A 785 -5.388 -1.629 7.729 1.00 0.00 N ATOM 0 H ARG A 785 -2.425 1.503 2.026 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.417 -0.639 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.370 -0.451 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.466 -1.951 3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.828 -0.465 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -2.313 0.423 4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -2.404 -2.577 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -1.628 -1.695 6.457 1.00 0.00 H new ATOM 0 HE ARG A 785 -4.215 -0.547 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -2.599 -3.217 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -3.921 -3.460 8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -5.909 -0.866 7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -5.787 -2.134 8.520 1.00 0.00 H new ATOM 701 N GLY A 786 -0.834 -1.507 0.129 1.00 0.00 N ATOM 702 CA GLY A 786 -1.086 -2.107 -1.168 1.00 0.00 C ATOM 703 C GLY A 786 -0.334 -3.409 -1.361 1.00 0.00 C ATOM 704 O GLY A 786 0.412 -3.838 -0.481 1.00 0.00 O ATOM 0 H GLY A 786 0.134 -1.561 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.155 -2.289 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.799 -1.406 -1.951 1.00 0.00 H new ATOM 708 N GLU A 787 -0.532 -4.040 -2.514 1.00 0.00 N ATOM 709 CA GLU A 787 0.132 -5.302 -2.818 1.00 0.00 C ATOM 710 C GLU A 787 0.855 -5.228 -4.160 1.00 0.00 C ATOM 711 O GLU A 787 0.323 -4.696 -5.135 1.00 0.00 O ATOM 712 CB GLU A 787 -0.883 -6.447 -2.835 1.00 0.00 C ATOM 713 CG GLU A 787 -0.497 -7.589 -3.760 1.00 0.00 C ATOM 714 CD GLU A 787 -1.040 -7.411 -5.164 1.00 0.00 C ATOM 715 OE1 GLU A 787 -1.464 -6.285 -5.499 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.040 -8.399 -5.929 1.00 0.00 O ATOM 0 H GLU A 787 -1.147 -3.698 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 787 0.870 -5.492 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.999 -6.834 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.854 -6.056 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 787 0.589 -7.666 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -0.868 -8.527 -3.347 1.00 0.00 H new ATOM 723 N HIS A 788 2.070 -5.765 -4.202 1.00 0.00 N ATOM 724 CA HIS A 788 2.866 -5.760 -5.424 1.00 0.00 C ATOM 725 C HIS A 788 2.933 -7.157 -6.034 1.00 0.00 C ATOM 726 O HIS A 788 2.316 -8.095 -5.531 1.00 0.00 O ATOM 727 CB HIS A 788 4.278 -5.249 -5.136 1.00 0.00 C ATOM 728 CG HIS A 788 4.908 -4.543 -6.296 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.260 -4.589 -6.562 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.362 -3.772 -7.266 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.519 -3.875 -7.643 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.384 -3.369 -8.090 1.00 0.00 N ATOM 0 H HIS A 788 2.525 -6.209 -3.404 1.00 0.00 H new ATOM 0 HA HIS A 788 2.385 -5.093 -6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.243 -4.570 -4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.908 -6.090 -4.848 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.952 -5.095 -6.010 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.317 -3.521 -7.372 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.493 -3.730 -8.086 1.00 0.00 H new ATOM 740 N ASN A 789 3.685 -7.287 -7.122 1.00 0.00 N ATOM 741 CA ASN A 789 3.831 -8.569 -7.802 1.00 0.00 C ATOM 742 C ASN A 789 4.328 -9.642 -6.838 1.00 0.00 C ATOM 743 O ASN A 789 5.529 -9.771 -6.602 1.00 0.00 O ATOM 744 CB ASN A 789 4.799 -8.438 -8.980 1.00 0.00 C ATOM 745 CG ASN A 789 5.172 -9.782 -9.574 1.00 0.00 C ATOM 746 OD1 ASN A 789 6.334 -10.188 -9.539 1.00 0.00 O ATOM 747 ND2 ASN A 789 4.186 -10.480 -10.124 1.00 0.00 N ATOM 0 H ASN A 789 4.203 -6.520 -7.552 1.00 0.00 H new ATOM 0 HA ASN A 789 2.852 -8.867 -8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.346 -7.816 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 789 5.703 -7.927 -8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 789 4.377 -11.392 -10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 789 3.238 -10.105 -10.131 1.00 0.00 H new ATOM 754 N GLY A 790 3.395 -10.410 -6.284 1.00 0.00 N ATOM 755 CA GLY A 790 3.758 -11.463 -5.353 1.00 0.00 C ATOM 756 C GLY A 790 4.261 -10.919 -4.031 1.00 0.00 C ATOM 757 O GLY A 790 4.805 -11.661 -3.214 1.00 0.00 O ATOM 0 H GLY A 790 2.395 -10.322 -6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.892 -12.100 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.528 -12.090 -5.801 1.00 0.00 H new ATOM 761 N MET A 791 4.081 -9.619 -3.820 1.00 0.00 N ATOM 762 CA MET A 791 4.522 -8.977 -2.587 1.00 0.00 C ATOM 763 C MET A 791 3.380 -8.199 -1.941 1.00 0.00 C ATOM 764 O MET A 791 2.407 -7.841 -2.604 1.00 0.00 O ATOM 765 CB MET A 791 5.698 -8.040 -2.868 1.00 0.00 C ATOM 766 CG MET A 791 7.056 -8.711 -2.734 1.00 0.00 C ATOM 767 SD MET A 791 8.425 -7.553 -2.926 1.00 0.00 S ATOM 768 CE MET A 791 8.761 -7.141 -1.216 1.00 0.00 C ATOM 0 H MET A 791 3.633 -8.990 -4.486 1.00 0.00 H new ATOM 0 HA MET A 791 4.844 -9.756 -1.896 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.599 -7.638 -3.876 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.650 -7.195 -2.182 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.125 -9.191 -1.758 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.143 -9.498 -3.483 1.00 0.00 H new ATOM 0 HE1 MET A 791 9.217 -6.153 -1.163 1.00 0.00 H new ATOM 0 HE2 MET A 791 7.828 -7.141 -0.652 1.00 0.00 H new ATOM 0 HE3 MET A 791 9.442 -7.878 -0.791 1.00 0.00 H new ATOM 778 N ARG A 792 3.506 -7.941 -0.643 1.00 0.00 N ATOM 779 CA ARG A 792 2.483 -7.207 0.092 1.00 0.00 C ATOM 780 C ARG A 792 3.109 -6.366 1.200 1.00 0.00 C ATOM 781 O ARG A 792 3.894 -6.865 2.005 1.00 0.00 O ATOM 782 CB ARG A 792 1.460 -8.176 0.689 1.00 0.00 C ATOM 783 CG ARG A 792 0.640 -8.915 -0.355 1.00 0.00 C ATOM 784 CD ARG A 792 -0.525 -9.661 0.277 1.00 0.00 C ATOM 785 NE ARG A 792 -1.422 -8.763 0.999 1.00 0.00 N ATOM 786 CZ ARG A 792 -1.249 -8.416 2.269 1.00 0.00 C ATOM 787 NH1 ARG A 792 -0.217 -8.889 2.954 1.00 0.00 N ATOM 788 NH2 ARG A 792 -2.109 -7.595 2.857 1.00 0.00 N ATOM 0 H ARG A 792 4.306 -8.229 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 792 1.977 -6.540 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 792 1.981 -8.904 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.786 -7.622 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.263 -8.206 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.278 -9.619 -0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -1.084 -10.185 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.142 -10.418 0.961 1.00 0.00 H new ATOM 0 HE ARG A 792 -2.226 -8.381 0.500 1.00 0.00 H new ATOM 0 HH11 ARG A 792 0.446 -9.521 2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -0.086 -8.621 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 792 -2.904 -7.229 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 792 -1.975 -7.329 3.833 1.00 0.00 H new ATOM 802 N GLY A 793 2.756 -5.084 1.235 1.00 0.00 N ATOM 803 CA GLY A 793 3.293 -4.193 2.247 1.00 0.00 C ATOM 804 C GLY A 793 2.751 -2.783 2.124 1.00 0.00 C ATOM 805 O GLY A 793 1.702 -2.563 1.518 1.00 0.00 O ATOM 0 H GLY A 793 2.108 -4.647 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.055 -4.586 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.380 -4.170 2.166 1.00 0.00 H new ATOM 809 N LEU A 794 3.466 -1.824 2.703 1.00 0.00 N ATOM 810 CA LEU A 794 3.050 -0.427 2.658 1.00 0.00 C ATOM 811 C LEU A 794 3.392 0.200 1.310 1.00 0.00 C ATOM 812 O LEU A 794 3.941 -0.462 0.428 1.00 0.00 O ATOM 813 CB LEU A 794 3.719 0.362 3.784 1.00 0.00 C ATOM 814 CG LEU A 794 3.242 0.043 5.202 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.259 0.520 6.227 1.00 0.00 C ATOM 816 CD2 LEU A 794 1.883 0.676 5.463 1.00 0.00 C ATOM 0 H LEU A 794 4.336 -1.989 3.209 1.00 0.00 H new ATOM 0 HA LEU A 794 1.969 -0.392 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.794 0.186 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.561 1.425 3.599 1.00 0.00 H new ATOM 0 HG LEU A 794 3.141 -1.038 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 794 3.903 0.285 7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.212 0.020 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.392 1.598 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.560 0.438 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 794 1.958 1.758 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.157 0.286 4.750 1.00 0.00 H new ATOM 828 N ILE A 795 3.067 1.479 1.158 1.00 0.00 N ATOM 829 CA ILE A 795 3.343 2.196 -0.081 1.00 0.00 C ATOM 830 C ILE A 795 3.532 3.687 0.177 1.00 0.00 C ATOM 831 O ILE A 795 2.743 4.327 0.873 1.00 0.00 O ATOM 832 CB ILE A 795 2.211 2.003 -1.107 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.281 0.602 -1.718 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.294 3.065 -2.193 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.204 0.337 -2.747 1.00 0.00 C ATOM 0 H ILE A 795 2.612 2.041 1.878 1.00 0.00 H new ATOM 0 HA ILE A 795 4.265 1.781 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 795 1.254 2.109 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.258 0.465 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.201 -0.137 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.487 2.915 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.201 4.053 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.254 2.988 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.315 -0.675 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.223 0.441 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.297 1.053 -3.563 1.00 0.00 H new ATOM 847 N PRO A 796 4.602 4.256 -0.399 1.00 0.00 N ATOM 848 CA PRO A 796 4.918 5.679 -0.248 1.00 0.00 C ATOM 849 C PRO A 796 3.925 6.575 -0.981 1.00 0.00 C ATOM 850 O PRO A 796 3.693 6.411 -2.179 1.00 0.00 O ATOM 851 CB PRO A 796 6.310 5.801 -0.873 1.00 0.00 C ATOM 852 CG PRO A 796 6.391 4.672 -1.841 1.00 0.00 C ATOM 853 CD PRO A 796 5.584 3.553 -1.241 1.00 0.00 C ATOM 0 HA PRO A 796 4.873 5.998 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.437 6.761 -1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.091 5.730 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 796 5.993 4.962 -2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.425 4.366 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.098 2.951 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.207 2.878 -0.654 1.00 0.00 H new ATOM 861 N HIS A 797 3.342 7.522 -0.254 1.00 0.00 N ATOM 862 CA HIS A 797 2.374 8.445 -0.836 1.00 0.00 C ATOM 863 C HIS A 797 3.079 9.556 -1.608 1.00 0.00 C ATOM 864 O HIS A 797 2.461 10.259 -2.408 1.00 0.00 O ATOM 865 CB HIS A 797 1.491 9.048 0.258 1.00 0.00 C ATOM 866 CG HIS A 797 0.554 10.103 -0.244 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.812 9.927 -0.309 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.793 11.354 -0.704 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.373 11.023 -0.789 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.421 11.904 -1.036 1.00 0.00 N ATOM 0 H HIS A 797 3.523 7.671 0.739 1.00 0.00 H new ATOM 0 HA HIS A 797 1.747 7.886 -1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.912 8.252 0.726 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.127 9.477 1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.758 11.830 -0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.430 11.173 -0.952 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.564 12.841 -1.412 1.00 0.00 H new ATOM 878 N LYS A 798 4.375 9.711 -1.362 1.00 0.00 N ATOM 879 CA LYS A 798 5.166 10.736 -2.033 1.00 0.00 C ATOM 880 C LYS A 798 5.724 10.214 -3.353 1.00 0.00 C ATOM 881 O LYS A 798 5.954 10.982 -4.288 1.00 0.00 O ATOM 882 CB LYS A 798 6.311 11.198 -1.130 1.00 0.00 C ATOM 883 CG LYS A 798 7.354 12.036 -1.851 1.00 0.00 C ATOM 884 CD LYS A 798 8.510 12.397 -0.934 1.00 0.00 C ATOM 885 CE LYS A 798 8.130 13.512 0.029 1.00 0.00 C ATOM 886 NZ LYS A 798 7.912 14.805 -0.677 1.00 0.00 N ATOM 0 H LYS A 798 4.901 9.139 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 798 4.514 11.583 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.900 11.777 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.796 10.324 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 798 7.731 11.486 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.891 12.947 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.817 11.516 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 798 9.367 12.707 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 798 7.223 13.234 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.917 13.633 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 7.975 15.588 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 8.638 14.926 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 6.970 14.805 -1.118 1.00 0.00 H new ATOM 900 N TYR A 799 5.939 8.905 -3.424 1.00 0.00 N ATOM 901 CA TYR A 799 6.471 8.282 -4.629 1.00 0.00 C ATOM 902 C TYR A 799 5.348 7.703 -5.485 1.00 0.00 C ATOM 903 O TYR A 799 5.592 6.918 -6.402 1.00 0.00 O ATOM 904 CB TYR A 799 7.467 7.180 -4.262 1.00 0.00 C ATOM 905 CG TYR A 799 8.732 7.698 -3.616 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.679 8.476 -2.465 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.979 7.411 -4.155 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.831 8.952 -1.872 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.137 7.882 -3.568 1.00 0.00 C ATOM 910 CZ TYR A 799 11.058 8.652 -2.426 1.00 0.00 C ATOM 911 OH TYR A 799 12.209 9.124 -1.838 1.00 0.00 O ATOM 0 H TYR A 799 5.753 8.255 -2.660 1.00 0.00 H new ATOM 0 HA TYR A 799 6.985 9.050 -5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.984 6.477 -3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.730 6.625 -5.162 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.720 8.712 -2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 799 10.045 6.809 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.772 9.556 -0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.099 7.649 -4.000 1.00 0.00 H new ATOM 0 HH TYR A 799 12.987 8.822 -2.352 1.00 0.00 H new ATOM 921 N ILE A 800 4.116 8.096 -5.177 1.00 0.00 N ATOM 922 CA ILE A 800 2.955 7.619 -5.918 1.00 0.00 C ATOM 923 C ILE A 800 1.937 8.735 -6.124 1.00 0.00 C ATOM 924 O ILE A 800 1.868 9.681 -5.337 1.00 0.00 O ATOM 925 CB ILE A 800 2.272 6.443 -5.196 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.743 6.891 -3.832 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.242 5.282 -5.038 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.334 7.440 -3.881 1.00 0.00 C ATOM 0 H ILE A 800 3.897 8.743 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 800 3.318 7.279 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 800 1.429 6.107 -5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.771 6.045 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.408 7.654 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.744 4.459 -4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.575 4.949 -6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 800 4.104 5.605 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.024 7.738 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.304 8.306 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.343 6.672 -4.257 1.00 0.00 H new ATOM 940 N THR A 801 1.147 8.620 -7.186 1.00 0.00 N ATOM 941 CA THR A 801 0.131 9.618 -7.496 1.00 0.00 C ATOM 942 C THR A 801 -1.259 8.994 -7.538 1.00 0.00 C ATOM 943 O THR A 801 -1.542 8.139 -8.379 1.00 0.00 O ATOM 944 CB THR A 801 0.414 10.307 -8.844 1.00 0.00 C ATOM 945 OG1 THR A 801 1.676 10.980 -8.796 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.685 11.303 -9.184 1.00 0.00 C ATOM 0 H THR A 801 1.191 7.844 -7.847 1.00 0.00 H new ATOM 0 HA THR A 801 0.167 10.363 -6.701 1.00 0.00 H new ATOM 0 HB THR A 801 0.441 9.541 -9.619 1.00 0.00 H new ATOM 0 HG1 THR A 801 1.848 11.414 -9.658 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.463 11.777 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.640 10.782 -9.250 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.740 12.064 -8.406 1.00 0.00 H new ATOM 954 N LEU A 802 -2.124 9.426 -6.627 1.00 0.00 N ATOM 955 CA LEU A 802 -3.487 8.910 -6.561 1.00 0.00 C ATOM 956 C LEU A 802 -4.329 9.445 -7.715 1.00 0.00 C ATOM 957 O LEU A 802 -4.078 10.526 -8.249 1.00 0.00 O ATOM 958 CB LEU A 802 -4.132 9.287 -5.226 1.00 0.00 C ATOM 959 CG LEU A 802 -3.486 8.689 -3.976 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.135 9.249 -2.720 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.586 7.170 -3.999 1.00 0.00 C ATOM 0 H LEU A 802 -1.906 10.132 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.442 7.824 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -4.119 10.373 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.178 8.982 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.431 8.964 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.662 8.812 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -4.011 10.332 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.197 9.005 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.121 6.761 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.635 6.875 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.074 6.785 -4.881 1.00 0.00 H new ATOM 973 N PRO A 803 -5.353 8.674 -8.108 1.00 0.00 N ATOM 974 CA PRO A 803 -6.255 9.052 -9.200 1.00 0.00 C ATOM 975 C PRO A 803 -7.154 10.227 -8.830 1.00 0.00 C ATOM 976 O PRO A 803 -7.207 10.638 -7.671 1.00 0.00 O ATOM 977 CB PRO A 803 -7.091 7.789 -9.423 1.00 0.00 C ATOM 978 CG PRO A 803 -7.057 7.077 -8.115 1.00 0.00 C ATOM 979 CD PRO A 803 -5.711 7.374 -7.515 1.00 0.00 C ATOM 0 HA PRO A 803 -5.709 9.380 -10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.112 8.036 -9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.674 7.173 -10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.859 7.421 -7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.195 6.004 -8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.759 7.428 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.981 6.604 -7.764 1.00 0.00 H new