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 112:sc= 0.065 USER MOD Set 1.2: A 801 THR OG1 : rot -170:sc= 0.0616 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 761 THR OG1 : rot 180:sc= -2.63 USER MOD Single : A 763 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.95) USER MOD Single : A 766 SER OG : rot 17:sc= -0.473 USER MOD Single : A 776 HIS : no HD1:sc= -3.1! K(o=-3.1!,f=-0.99) USER MOD Single : A 780 SER OG : rot 180:sc= 0.00326 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 788 HIS : no HE2:sc= -2.09 X(o=-2.1,f=-2.1) USER MOD Single : A 789 ASN : amide:sc= -0.338 K(o=-0.34,f=-1.7!) USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HD1:sc=-0.00996 K(o=-0.01,f=-5.5!) USER MOD Single : A 798 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.534) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 749 -8.545 1.093 -5.009 1.00 0.00 N ATOM 105 CA VAL A 749 -7.927 2.184 -5.754 1.00 0.00 C ATOM 106 C VAL A 749 -6.555 1.780 -6.283 1.00 0.00 C ATOM 107 O VAL A 749 -5.842 0.999 -5.653 1.00 0.00 O ATOM 108 CB VAL A 749 -7.779 3.445 -4.883 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.115 4.564 -5.672 1.00 0.00 C ATOM 110 CG2 VAL A 749 -9.133 3.888 -4.352 1.00 0.00 C ATOM 0 HA VAL A 749 -8.585 2.407 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.142 3.204 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.019 5.447 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.126 4.242 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.724 4.806 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -9.009 4.780 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.796 4.111 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.566 3.090 -3.748 1.00 0.00 H new ATOM 120 N GLU A 750 -6.192 2.317 -7.443 1.00 0.00 N ATOM 121 CA GLU A 750 -4.905 2.012 -8.056 1.00 0.00 C ATOM 122 C GLU A 750 -4.057 3.273 -8.197 1.00 0.00 C ATOM 123 O GLU A 750 -4.515 4.286 -8.725 1.00 0.00 O ATOM 124 CB GLU A 750 -5.109 1.366 -9.428 1.00 0.00 C ATOM 125 CG GLU A 750 -5.419 -0.120 -9.361 1.00 0.00 C ATOM 126 CD GLU A 750 -6.056 -0.642 -10.634 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.077 -0.066 -11.066 1.00 0.00 O ATOM 128 OE2 GLU A 750 -5.534 -1.626 -11.198 1.00 0.00 O ATOM 0 H GLU A 750 -6.771 2.965 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.379 1.312 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -5.924 1.876 -9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.211 1.515 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.498 -0.671 -9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.087 -0.310 -8.521 1.00 0.00 H new ATOM 135 N ALA A 751 -2.818 3.202 -7.720 1.00 0.00 N ATOM 136 CA ALA A 751 -1.905 4.335 -7.794 1.00 0.00 C ATOM 137 C ALA A 751 -0.719 4.027 -8.701 1.00 0.00 C ATOM 138 O ALA A 751 -0.204 2.909 -8.707 1.00 0.00 O ATOM 139 CB ALA A 751 -1.423 4.716 -6.402 1.00 0.00 C ATOM 0 H ALA A 751 -2.424 2.371 -7.278 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.446 5.178 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.742 5.564 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.278 4.988 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -0.904 3.870 -5.952 1.00 0.00 H new ATOM 145 N VAL A 752 -0.290 5.025 -9.466 1.00 0.00 N ATOM 146 CA VAL A 752 0.836 4.861 -10.377 1.00 0.00 C ATOM 147 C VAL A 752 2.138 5.319 -9.730 1.00 0.00 C ATOM 148 O VAL A 752 2.206 6.400 -9.145 1.00 0.00 O ATOM 149 CB VAL A 752 0.621 5.647 -11.684 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.818 5.486 -12.608 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.658 5.195 -12.372 1.00 0.00 C ATOM 0 H VAL A 752 -0.706 5.956 -9.473 1.00 0.00 H new ATOM 0 HA VAL A 752 0.903 3.798 -10.608 1.00 0.00 H new ATOM 0 HB VAL A 752 0.522 6.705 -11.439 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.647 6.048 -13.526 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.713 5.862 -12.113 1.00 0.00 H new ATOM 0 HG13 VAL A 752 1.953 4.431 -12.848 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.795 5.760 -13.294 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.590 4.132 -12.605 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.507 5.368 -11.711 1.00 0.00 H new ATOM 161 N ALA A 753 3.171 4.490 -9.839 1.00 0.00 N ATOM 162 CA ALA A 753 4.473 4.811 -9.267 1.00 0.00 C ATOM 163 C ALA A 753 5.090 6.025 -9.953 1.00 0.00 C ATOM 164 O ALA A 753 5.565 5.935 -11.086 1.00 0.00 O ATOM 165 CB ALA A 753 5.405 3.614 -9.370 1.00 0.00 C ATOM 0 H ALA A 753 3.131 3.591 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 753 4.329 5.055 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.373 3.869 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.976 2.771 -8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.534 3.343 -10.418 1.00 0.00 H new ATOM 171 N CYS A 754 5.079 7.159 -9.262 1.00 0.00 N ATOM 172 CA CYS A 754 5.637 8.392 -9.806 1.00 0.00 C ATOM 173 C CYS A 754 7.139 8.256 -10.033 1.00 0.00 C ATOM 174 O CYS A 754 7.669 8.717 -11.044 1.00 0.00 O ATOM 175 CB CYS A 754 5.355 9.563 -8.864 1.00 0.00 C ATOM 176 SG CYS A 754 5.316 11.176 -9.681 1.00 0.00 S ATOM 0 H CYS A 754 4.690 7.250 -8.324 1.00 0.00 H new ATOM 0 HA CYS A 754 5.159 8.585 -10.767 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.398 9.395 -8.369 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.118 9.581 -8.085 1.00 0.00 H new ATOM 0 HG CYS A 754 4.102 11.640 -9.668 1.00 0.00 H new ATOM 182 N PHE A 755 7.820 7.621 -9.085 1.00 0.00 N ATOM 183 CA PHE A 755 9.262 7.426 -9.180 1.00 0.00 C ATOM 184 C PHE A 755 9.657 6.040 -8.680 1.00 0.00 C ATOM 185 O PHE A 755 8.838 5.314 -8.117 1.00 0.00 O ATOM 186 CB PHE A 755 9.997 8.500 -8.375 1.00 0.00 C ATOM 187 CG PHE A 755 9.869 9.878 -8.957 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.225 10.125 -10.274 1.00 0.00 C ATOM 189 CD2 PHE A 755 9.392 10.928 -8.188 1.00 0.00 C ATOM 190 CE1 PHE A 755 10.108 11.393 -10.811 1.00 0.00 C ATOM 191 CE2 PHE A 755 9.273 12.198 -8.721 1.00 0.00 C ATOM 192 CZ PHE A 755 9.631 12.430 -10.035 1.00 0.00 C ATOM 0 H PHE A 755 7.397 7.233 -8.242 1.00 0.00 H new ATOM 0 HA PHE A 755 9.547 7.509 -10.229 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.610 8.507 -7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.053 8.237 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.598 9.318 -10.887 1.00 0.00 H new ATOM 0 HD2 PHE A 755 9.110 10.752 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 755 10.390 11.573 -11.838 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.901 13.008 -8.111 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.538 13.421 -10.454 1.00 0.00 H new ATOM 202 N ALA A 756 10.919 5.679 -8.891 1.00 0.00 N ATOM 203 CA ALA A 756 11.424 4.381 -8.462 1.00 0.00 C ATOM 204 C ALA A 756 11.748 4.384 -6.972 1.00 0.00 C ATOM 205 O ALA A 756 12.513 5.222 -6.494 1.00 0.00 O ATOM 206 CB ALA A 756 12.656 4.000 -9.270 1.00 0.00 C ATOM 0 H ALA A 756 11.610 6.268 -9.356 1.00 0.00 H new ATOM 0 HA ALA A 756 10.644 3.640 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 756 13.022 3.028 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.396 3.949 -10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.433 4.750 -9.124 1.00 0.00 H new ATOM 212 N TYR A 757 11.160 3.442 -6.242 1.00 0.00 N ATOM 213 CA TYR A 757 11.383 3.338 -4.805 1.00 0.00 C ATOM 214 C TYR A 757 11.864 1.940 -4.428 1.00 0.00 C ATOM 215 O TYR A 757 11.676 0.982 -5.178 1.00 0.00 O ATOM 216 CB TYR A 757 10.100 3.671 -4.042 1.00 0.00 C ATOM 217 CG TYR A 757 10.298 3.799 -2.549 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.172 2.695 -1.715 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.613 5.023 -1.972 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.352 2.807 -0.350 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.795 5.145 -0.608 1.00 0.00 C ATOM 222 CZ TYR A 757 10.663 4.034 0.199 1.00 0.00 C ATOM 223 OH TYR A 757 10.844 4.150 1.558 1.00 0.00 O ATOM 0 H TYR A 757 10.525 2.740 -6.622 1.00 0.00 H new ATOM 0 HA TYR A 757 12.157 4.055 -4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.691 4.605 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.360 2.895 -4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 757 9.929 1.733 -2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.717 5.895 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 757 10.250 1.939 0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 757 11.039 6.104 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 757 11.058 5.080 1.781 1.00 0.00 H new ATOM 233 N THR A 758 12.485 1.831 -3.257 1.00 0.00 N ATOM 234 CA THR A 758 12.994 0.552 -2.779 1.00 0.00 C ATOM 235 C THR A 758 12.650 0.338 -1.309 1.00 0.00 C ATOM 236 O THR A 758 13.257 0.941 -0.426 1.00 0.00 O ATOM 237 CB THR A 758 14.520 0.452 -2.957 1.00 0.00 C ATOM 238 OG1 THR A 758 14.860 0.565 -4.343 1.00 0.00 O ATOM 239 CG2 THR A 758 15.044 -0.866 -2.407 1.00 0.00 C ATOM 0 H THR A 758 12.647 2.613 -2.623 1.00 0.00 H new ATOM 0 HA THR A 758 12.515 -0.222 -3.378 1.00 0.00 H new ATOM 0 HB THR A 758 14.982 1.268 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.832 0.502 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.124 -0.914 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 758 14.810 -0.936 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.574 -1.694 -2.938 1.00 0.00 H new ATOM 247 N GLY A 759 11.671 -0.525 -1.054 1.00 0.00 N ATOM 248 CA GLY A 759 11.264 -0.803 0.311 1.00 0.00 C ATOM 249 C GLY A 759 12.443 -0.904 1.258 1.00 0.00 C ATOM 250 O GLY A 759 13.378 -1.669 1.017 1.00 0.00 O ATOM 0 H GLY A 759 11.153 -1.036 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.593 -0.016 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.701 -1.736 0.336 1.00 0.00 H new ATOM 254 N ARG A 760 12.401 -0.131 2.338 1.00 0.00 N ATOM 255 CA ARG A 760 13.475 -0.134 3.323 1.00 0.00 C ATOM 256 C ARG A 760 13.496 -1.448 4.100 1.00 0.00 C ATOM 257 O ARG A 760 14.560 -1.951 4.463 1.00 0.00 O ATOM 258 CB ARG A 760 13.314 1.040 4.290 1.00 0.00 C ATOM 259 CG ARG A 760 13.506 2.398 3.636 1.00 0.00 C ATOM 260 CD ARG A 760 14.962 2.836 3.678 1.00 0.00 C ATOM 261 NE ARG A 760 15.230 3.936 2.755 1.00 0.00 N ATOM 262 CZ ARG A 760 16.333 4.675 2.793 1.00 0.00 C ATOM 263 NH1 ARG A 760 17.267 4.432 3.703 1.00 0.00 N ATOM 264 NH2 ARG A 760 16.505 5.659 1.920 1.00 0.00 N ATOM 0 H ARG A 760 11.634 0.506 2.553 1.00 0.00 H new ATOM 0 HA ARG A 760 14.421 -0.030 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 760 12.321 0.998 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.033 0.932 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 760 13.167 2.356 2.601 1.00 0.00 H new ATOM 0 HG3 ARG A 760 12.887 3.138 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 760 15.219 3.143 4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 760 15.602 1.990 3.429 1.00 0.00 H new ATOM 0 HE ARG A 760 14.532 4.148 2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 760 17.139 3.676 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 760 18.113 5.001 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 760 15.790 5.849 1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 760 17.353 6.226 1.951 1.00 0.00 H new ATOM 278 N THR A 761 12.313 -1.998 4.353 1.00 0.00 N ATOM 279 CA THR A 761 12.194 -3.251 5.088 1.00 0.00 C ATOM 280 C THR A 761 11.098 -4.132 4.500 1.00 0.00 C ATOM 281 O THR A 761 10.342 -3.701 3.630 1.00 0.00 O ATOM 282 CB THR A 761 11.893 -3.002 6.578 1.00 0.00 C ATOM 283 OG1 THR A 761 10.603 -2.397 6.722 1.00 0.00 O ATOM 284 CG2 THR A 761 12.952 -2.106 7.202 1.00 0.00 C ATOM 0 H THR A 761 11.423 -1.595 4.060 1.00 0.00 H new ATOM 0 HA THR A 761 13.153 -3.761 4.999 1.00 0.00 H new ATOM 0 HB THR A 761 11.903 -3.962 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.418 -2.243 7.672 1.00 0.00 H new ATOM 0 HG21 THR A 761 12.718 -1.944 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 761 13.928 -2.583 7.116 1.00 0.00 H new ATOM 0 HG23 THR A 761 12.970 -1.148 6.683 1.00 0.00 H new ATOM 292 N ALA A 762 11.017 -5.368 4.981 1.00 0.00 N ATOM 293 CA ALA A 762 10.011 -6.309 4.504 1.00 0.00 C ATOM 294 C ALA A 762 8.616 -5.696 4.559 1.00 0.00 C ATOM 295 O ALA A 762 7.763 -5.995 3.724 1.00 0.00 O ATOM 296 CB ALA A 762 10.058 -7.592 5.321 1.00 0.00 C ATOM 0 H ALA A 762 11.636 -5.741 5.701 1.00 0.00 H new ATOM 0 HA ALA A 762 10.235 -6.545 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 762 9.301 -8.285 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 762 11.044 -8.047 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.863 -7.364 6.369 1.00 0.00 H new ATOM 302 N GLN A 763 8.391 -4.837 5.549 1.00 0.00 N ATOM 303 CA GLN A 763 7.098 -4.183 5.713 1.00 0.00 C ATOM 304 C GLN A 763 6.799 -3.264 4.532 1.00 0.00 C ATOM 305 O GLN A 763 5.656 -3.160 4.089 1.00 0.00 O ATOM 306 CB GLN A 763 7.068 -3.384 7.017 1.00 0.00 C ATOM 307 CG GLN A 763 5.995 -2.308 7.047 1.00 0.00 C ATOM 308 CD GLN A 763 5.470 -2.047 8.445 1.00 0.00 C ATOM 309 OE1 GLN A 763 4.856 -2.917 9.063 1.00 0.00 O ATOM 310 NE2 GLN A 763 5.709 -0.843 8.951 1.00 0.00 N ATOM 0 H GLN A 763 9.087 -4.578 6.249 1.00 0.00 H new ATOM 0 HA GLN A 763 6.331 -4.956 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 763 6.907 -4.069 7.849 1.00 0.00 H new ATOM 0 HB3 GLN A 763 8.042 -2.919 7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 763 6.401 -1.383 6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 763 5.168 -2.606 6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 763 6.222 -0.152 8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 763 5.380 -0.609 9.887 1.00 0.00 H new ATOM 319 N GLU A 764 7.834 -2.600 4.029 1.00 0.00 N ATOM 320 CA GLU A 764 7.681 -1.689 2.901 1.00 0.00 C ATOM 321 C GLU A 764 7.749 -2.445 1.577 1.00 0.00 C ATOM 322 O GLU A 764 8.345 -3.520 1.493 1.00 0.00 O ATOM 323 CB GLU A 764 8.763 -0.608 2.939 1.00 0.00 C ATOM 324 CG GLU A 764 8.692 0.281 4.169 1.00 0.00 C ATOM 325 CD GLU A 764 9.344 -0.350 5.384 1.00 0.00 C ATOM 326 OE1 GLU A 764 10.560 -0.140 5.579 1.00 0.00 O ATOM 327 OE2 GLU A 764 8.641 -1.053 6.138 1.00 0.00 O ATOM 0 H GLU A 764 8.787 -2.676 4.384 1.00 0.00 H new ATOM 0 HA GLU A 764 6.702 -1.216 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.743 -1.085 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.676 0.013 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.178 1.232 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.648 0.500 4.394 1.00 0.00 H new ATOM 334 N LEU A 765 7.134 -1.878 0.546 1.00 0.00 N ATOM 335 CA LEU A 765 7.124 -2.498 -0.775 1.00 0.00 C ATOM 336 C LEU A 765 8.069 -1.770 -1.726 1.00 0.00 C ATOM 337 O LEU A 765 8.502 -0.651 -1.450 1.00 0.00 O ATOM 338 CB LEU A 765 5.706 -2.498 -1.348 1.00 0.00 C ATOM 339 CG LEU A 765 4.741 -3.523 -0.751 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.316 -3.242 -1.204 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.156 -4.935 -1.137 1.00 0.00 C ATOM 0 H LEU A 765 6.635 -0.990 0.598 1.00 0.00 H new ATOM 0 HA LEU A 765 7.467 -3.527 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.280 -1.504 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 765 5.770 -2.671 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 765 4.779 -3.439 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.644 -3.981 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.020 -2.245 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.262 -3.298 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.458 -5.651 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.148 -5.033 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.160 -5.135 -0.762 1.00 0.00 H new ATOM 353 N SER A 766 8.383 -2.412 -2.846 1.00 0.00 N ATOM 354 CA SER A 766 9.278 -1.827 -3.837 1.00 0.00 C ATOM 355 C SER A 766 8.656 -1.880 -5.230 1.00 0.00 C ATOM 356 O SER A 766 7.878 -2.782 -5.540 1.00 0.00 O ATOM 357 CB SER A 766 10.622 -2.558 -3.838 1.00 0.00 C ATOM 358 OG SER A 766 11.585 -1.855 -4.603 1.00 0.00 O ATOM 0 H SER A 766 8.031 -3.338 -3.090 1.00 0.00 H new ATOM 0 HA SER A 766 9.441 -0.783 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 766 10.979 -2.671 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 766 10.493 -3.562 -4.243 1.00 0.00 H new ATOM 0 HG SER A 766 11.281 -0.934 -4.746 1.00 0.00 H new ATOM 364 N PHE A 767 9.006 -0.907 -6.065 1.00 0.00 N ATOM 365 CA PHE A 767 8.482 -0.842 -7.424 1.00 0.00 C ATOM 366 C PHE A 767 9.241 0.192 -8.250 1.00 0.00 C ATOM 367 O PHE A 767 10.022 0.978 -7.714 1.00 0.00 O ATOM 368 CB PHE A 767 6.991 -0.499 -7.403 1.00 0.00 C ATOM 369 CG PHE A 767 6.646 0.620 -6.462 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.839 1.940 -6.836 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.130 0.352 -5.205 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.523 2.973 -5.973 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.811 1.381 -4.338 1.00 0.00 C ATOM 374 CZ PHE A 767 6.009 2.693 -4.722 1.00 0.00 C ATOM 0 H PHE A 767 9.650 -0.153 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 767 8.616 -1.820 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.675 -0.227 -8.410 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.426 -1.387 -7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.241 2.165 -7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.975 -0.672 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.678 3.998 -6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.407 1.159 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.762 3.498 -4.046 1.00 0.00 H new ATOM 384 N ARG A 768 9.006 0.184 -9.558 1.00 0.00 N ATOM 385 CA ARG A 768 9.669 1.119 -10.459 1.00 0.00 C ATOM 386 C ARG A 768 8.656 2.058 -11.109 1.00 0.00 C ATOM 387 O ARG A 768 7.564 1.640 -11.492 1.00 0.00 O ATOM 388 CB ARG A 768 10.441 0.359 -11.539 1.00 0.00 C ATOM 389 CG ARG A 768 11.869 0.022 -11.143 1.00 0.00 C ATOM 390 CD ARG A 768 12.598 -0.714 -12.257 1.00 0.00 C ATOM 391 NE ARG A 768 13.652 -1.583 -11.742 1.00 0.00 N ATOM 392 CZ ARG A 768 14.556 -2.178 -12.511 1.00 0.00 C ATOM 393 NH1 ARG A 768 14.534 -1.998 -13.825 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.484 -2.955 -11.968 1.00 0.00 N ATOM 0 H ARG A 768 8.362 -0.459 -10.017 1.00 0.00 H new ATOM 0 HA ARG A 768 10.369 1.715 -9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.910 -0.564 -11.772 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.457 0.956 -12.451 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.406 0.939 -10.899 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.863 -0.593 -10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 768 11.884 -1.309 -12.826 1.00 0.00 H new ATOM 0 HD3 ARG A 768 13.031 0.010 -12.947 1.00 0.00 H new ATOM 0 HE ARG A 768 13.696 -1.742 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 768 13.822 -1.402 -14.246 1.00 0.00 H new ATOM 0 HH12 ARG A 768 15.229 -2.456 -14.414 1.00 0.00 H new ATOM 0 HH21 ARG A 768 15.504 -3.096 -10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 768 16.178 -3.411 -12.560 1.00 0.00 H new ATOM 408 N ARG A 769 9.027 3.328 -11.228 1.00 0.00 N ATOM 409 CA ARG A 769 8.151 4.327 -11.829 1.00 0.00 C ATOM 410 C ARG A 769 7.319 3.715 -12.952 1.00 0.00 C ATOM 411 O ARG A 769 7.856 3.107 -13.877 1.00 0.00 O ATOM 412 CB ARG A 769 8.973 5.498 -12.370 1.00 0.00 C ATOM 413 CG ARG A 769 8.154 6.503 -13.163 1.00 0.00 C ATOM 414 CD ARG A 769 9.042 7.530 -13.847 1.00 0.00 C ATOM 415 NE ARG A 769 9.635 7.010 -15.076 1.00 0.00 N ATOM 416 CZ ARG A 769 10.709 7.537 -15.654 1.00 0.00 C ATOM 417 NH1 ARG A 769 11.303 8.594 -15.118 1.00 0.00 N ATOM 418 NH2 ARG A 769 11.190 7.007 -16.771 1.00 0.00 N ATOM 0 H ARG A 769 9.928 3.690 -10.916 1.00 0.00 H new ATOM 0 HA ARG A 769 7.475 4.693 -11.056 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.452 6.010 -11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.769 5.109 -13.005 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.559 5.979 -13.911 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.455 7.010 -12.498 1.00 0.00 H new ATOM 0 HD2 ARG A 769 8.456 8.420 -14.076 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.834 7.836 -13.164 1.00 0.00 H new ATOM 0 HE ARG A 769 9.201 6.198 -15.515 1.00 0.00 H new ATOM 0 HH11 ARG A 769 10.936 9.005 -14.260 1.00 0.00 H new ATOM 0 HH12 ARG A 769 12.127 8.996 -15.564 1.00 0.00 H new ATOM 0 HH21 ARG A 769 10.735 6.194 -17.187 1.00 0.00 H new ATOM 0 HH22 ARG A 769 12.015 7.412 -17.214 1.00 0.00 H new ATOM 432 N GLY A 770 6.002 3.879 -12.863 1.00 0.00 N ATOM 433 CA GLY A 770 5.116 3.336 -13.876 1.00 0.00 C ATOM 434 C GLY A 770 4.338 2.133 -13.382 1.00 0.00 C ATOM 435 O GLY A 770 3.171 1.953 -13.733 1.00 0.00 O ATOM 0 H GLY A 770 5.533 4.378 -12.107 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.418 4.110 -14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.701 3.052 -14.751 1.00 0.00 H new ATOM 439 N ASP A 771 4.983 1.307 -12.566 1.00 0.00 N ATOM 440 CA ASP A 771 4.344 0.115 -12.023 1.00 0.00 C ATOM 441 C ASP A 771 3.237 0.490 -11.042 1.00 0.00 C ATOM 442 O ASP A 771 3.501 1.049 -9.977 1.00 0.00 O ATOM 443 CB ASP A 771 5.378 -0.773 -11.329 1.00 0.00 C ATOM 444 CG ASP A 771 6.435 -1.287 -12.286 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.066 -1.755 -13.384 1.00 0.00 O ATOM 446 OD2 ASP A 771 7.633 -1.220 -11.938 1.00 0.00 O ATOM 0 H ASP A 771 5.949 1.441 -12.266 1.00 0.00 H new ATOM 0 HA ASP A 771 3.899 -0.437 -12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.859 -0.209 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.872 -1.618 -10.863 1.00 0.00 H new ATOM 451 N VAL A 772 1.998 0.180 -11.408 1.00 0.00 N ATOM 452 CA VAL A 772 0.851 0.485 -10.561 1.00 0.00 C ATOM 453 C VAL A 772 0.841 -0.392 -9.314 1.00 0.00 C ATOM 454 O VAL A 772 1.427 -1.475 -9.299 1.00 0.00 O ATOM 455 CB VAL A 772 -0.475 0.293 -11.321 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.659 0.584 -10.411 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.512 1.178 -12.558 1.00 0.00 C ATOM 0 H VAL A 772 1.762 -0.283 -12.286 1.00 0.00 H new ATOM 0 HA VAL A 772 0.944 1.530 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.542 -0.746 -11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.587 0.443 -10.965 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.639 -0.095 -9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.601 1.613 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.456 1.030 -13.083 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.422 2.223 -12.261 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.315 0.916 -13.218 1.00 0.00 H new ATOM 467 N LEU A 773 0.170 0.082 -8.270 1.00 0.00 N ATOM 468 CA LEU A 773 0.082 -0.660 -7.017 1.00 0.00 C ATOM 469 C LEU A 773 -1.273 -0.443 -6.350 1.00 0.00 C ATOM 470 O LEU A 773 -1.694 0.693 -6.132 1.00 0.00 O ATOM 471 CB LEU A 773 1.204 -0.232 -6.069 1.00 0.00 C ATOM 472 CG LEU A 773 2.500 0.237 -6.731 1.00 0.00 C ATOM 473 CD1 LEU A 773 3.253 1.190 -5.815 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.373 -0.955 -7.097 1.00 0.00 C ATOM 0 H LEU A 773 -0.321 0.976 -8.266 1.00 0.00 H new ATOM 0 HA LEU A 773 0.190 -1.721 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.831 0.573 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.438 -1.070 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 773 2.245 0.771 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 773 4.173 1.513 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.630 2.059 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.497 0.682 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.291 -0.603 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.619 -1.516 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.835 -1.601 -7.791 1.00 0.00 H new ATOM 486 N ARG A 774 -1.949 -1.541 -6.027 1.00 0.00 N ATOM 487 CA ARG A 774 -3.256 -1.471 -5.384 1.00 0.00 C ATOM 488 C ARG A 774 -3.171 -0.718 -4.060 1.00 0.00 C ATOM 489 O ARG A 774 -2.131 -0.718 -3.399 1.00 0.00 O ATOM 490 CB ARG A 774 -3.808 -2.878 -5.148 1.00 0.00 C ATOM 491 CG ARG A 774 -5.324 -2.957 -5.215 1.00 0.00 C ATOM 492 CD ARG A 774 -5.849 -4.193 -4.501 1.00 0.00 C ATOM 493 NE ARG A 774 -5.951 -5.341 -5.397 1.00 0.00 N ATOM 494 CZ ARG A 774 -5.950 -6.602 -4.980 1.00 0.00 C ATOM 495 NH1 ARG A 774 -5.853 -6.875 -3.686 1.00 0.00 N ATOM 496 NH2 ARG A 774 -6.047 -7.593 -5.857 1.00 0.00 N ATOM 0 H ARG A 774 -1.614 -2.489 -6.200 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.931 -0.930 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.384 -3.554 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -3.477 -3.230 -4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.756 -2.064 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -5.643 -2.974 -6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -5.188 -4.440 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.829 -3.977 -4.076 1.00 0.00 H new ATOM 0 HE ARG A 774 -6.027 -5.165 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -5.779 -6.116 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -5.852 -7.844 -3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -6.122 -7.387 -6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -6.046 -8.561 -5.535 1.00 0.00 H new ATOM 510 N LEU A 775 -4.270 -0.076 -3.679 1.00 0.00 N ATOM 511 CA LEU A 775 -4.320 0.682 -2.433 1.00 0.00 C ATOM 512 C LEU A 775 -5.431 0.165 -1.525 1.00 0.00 C ATOM 513 O LEU A 775 -6.546 0.686 -1.532 1.00 0.00 O ATOM 514 CB LEU A 775 -4.535 2.168 -2.726 1.00 0.00 C ATOM 515 CG LEU A 775 -3.534 2.816 -3.683 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.775 4.315 -3.774 1.00 0.00 C ATOM 517 CD2 LEU A 775 -2.108 2.529 -3.237 1.00 0.00 C ATOM 0 H LEU A 775 -5.138 -0.065 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.367 0.553 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.536 2.295 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.508 2.711 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.677 2.386 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -3.053 4.759 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.785 4.500 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.660 4.763 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.409 2.998 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.952 2.931 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.940 1.452 -3.225 1.00 0.00 H new ATOM 529 N HIS A 776 -5.117 -0.863 -0.742 1.00 0.00 N ATOM 530 CA HIS A 776 -6.088 -1.449 0.175 1.00 0.00 C ATOM 531 C HIS A 776 -6.711 -0.378 1.065 1.00 0.00 C ATOM 532 O HIS A 776 -7.902 -0.088 0.962 1.00 0.00 O ATOM 533 CB HIS A 776 -5.424 -2.522 1.037 1.00 0.00 C ATOM 534 CG HIS A 776 -4.787 -3.620 0.242 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.498 -4.861 0.769 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.383 -3.658 -1.050 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.943 -5.615 -0.164 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.863 -4.908 -1.277 1.00 0.00 N ATOM 0 H HIS A 776 -4.199 -1.307 -0.724 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.879 -1.908 -0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.667 -2.054 1.666 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.170 -2.954 1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.456 -2.855 -1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.611 -6.635 -0.038 1.00 0.00 H new ATOM 0 HE2 HIS A 776 -3.477 -5.238 -2.162 1.00 0.00 H new ATOM 546 N GLU A 777 -5.896 0.206 1.939 1.00 0.00 N ATOM 547 CA GLU A 777 -6.368 1.243 2.848 1.00 0.00 C ATOM 548 C GLU A 777 -5.208 2.099 3.347 1.00 0.00 C ATOM 549 O GLU A 777 -4.084 1.617 3.490 1.00 0.00 O ATOM 550 CB GLU A 777 -7.102 0.617 4.035 1.00 0.00 C ATOM 551 CG GLU A 777 -7.537 1.627 5.084 1.00 0.00 C ATOM 552 CD GLU A 777 -7.837 0.985 6.424 1.00 0.00 C ATOM 553 OE1 GLU A 777 -8.583 -0.016 6.448 1.00 0.00 O ATOM 554 OE2 GLU A 777 -7.325 1.482 7.449 1.00 0.00 O ATOM 0 H GLU A 777 -4.907 -0.022 2.036 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.059 1.883 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.980 0.085 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.453 -0.123 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.753 2.374 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.424 2.153 4.731 1.00 0.00 H new ATOM 561 N ARG A 778 -5.488 3.371 3.610 1.00 0.00 N ATOM 562 CA ARG A 778 -4.468 4.295 4.091 1.00 0.00 C ATOM 563 C ARG A 778 -3.766 3.735 5.325 1.00 0.00 C ATOM 564 O ARG A 778 -4.324 3.736 6.423 1.00 0.00 O ATOM 565 CB ARG A 778 -5.092 5.652 4.419 1.00 0.00 C ATOM 566 CG ARG A 778 -4.070 6.741 4.701 1.00 0.00 C ATOM 567 CD ARG A 778 -3.336 7.158 3.436 1.00 0.00 C ATOM 568 NE ARG A 778 -2.891 8.548 3.495 1.00 0.00 N ATOM 569 CZ ARG A 778 -3.689 9.586 3.267 1.00 0.00 C ATOM 570 NH1 ARG A 778 -4.966 9.391 2.966 1.00 0.00 N ATOM 571 NH2 ARG A 778 -3.210 10.821 3.339 1.00 0.00 N ATOM 0 H ARG A 778 -6.413 3.786 3.498 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.729 4.424 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.722 5.964 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -5.743 5.543 5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -4.570 7.607 5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.351 6.385 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.474 6.508 3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -3.991 7.023 2.575 1.00 0.00 H new ATOM 0 HE ARG A 778 -1.914 8.732 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -5.338 8.443 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -5.576 10.189 2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -2.228 10.975 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -3.823 11.617 3.164 1.00 0.00 H new ATOM 585 N ALA A 779 -2.541 3.256 5.137 1.00 0.00 N ATOM 586 CA ALA A 779 -1.763 2.695 6.234 1.00 0.00 C ATOM 587 C ALA A 779 -1.379 3.772 7.242 1.00 0.00 C ATOM 588 O ALA A 779 -1.636 3.637 8.438 1.00 0.00 O ATOM 589 CB ALA A 779 -0.518 2.002 5.699 1.00 0.00 C ATOM 0 H ALA A 779 -2.066 3.245 4.235 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.383 1.959 6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 779 0.053 1.588 6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.811 1.198 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 779 0.096 2.723 5.160 1.00 0.00 H new ATOM 595 N SER A 780 -0.761 4.842 6.752 1.00 0.00 N ATOM 596 CA SER A 780 -0.336 5.941 7.611 1.00 0.00 C ATOM 597 C SER A 780 -0.635 7.287 6.958 1.00 0.00 C ATOM 598 O SER A 780 -1.244 7.350 5.890 1.00 0.00 O ATOM 599 CB SER A 780 1.159 5.830 7.916 1.00 0.00 C ATOM 600 OG SER A 780 1.462 6.380 9.186 1.00 0.00 O ATOM 0 H SER A 780 -0.543 4.971 5.764 1.00 0.00 H new ATOM 0 HA SER A 780 -0.895 5.877 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.463 4.783 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.730 6.349 7.146 1.00 0.00 H new ATOM 0 HG SER A 780 2.423 6.295 9.358 1.00 0.00 H new ATOM 606 N SER A 781 -0.202 8.362 7.609 1.00 0.00 N ATOM 607 CA SER A 781 -0.426 9.709 7.095 1.00 0.00 C ATOM 608 C SER A 781 0.251 9.893 5.740 1.00 0.00 C ATOM 609 O SER A 781 -0.296 10.534 4.843 1.00 0.00 O ATOM 610 CB SER A 781 0.098 10.749 8.086 1.00 0.00 C ATOM 611 OG SER A 781 0.118 12.042 7.505 1.00 0.00 O ATOM 0 H SER A 781 0.306 8.327 8.493 1.00 0.00 H new ATOM 0 HA SER A 781 -1.499 9.849 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.531 10.757 8.976 1.00 0.00 H new ATOM 0 HB3 SER A 781 1.103 10.476 8.408 1.00 0.00 H new ATOM 0 HG SER A 781 0.456 12.689 8.159 1.00 0.00 H new ATOM 617 N ASP A 782 1.444 9.326 5.601 1.00 0.00 N ATOM 618 CA ASP A 782 2.197 9.426 4.356 1.00 0.00 C ATOM 619 C ASP A 782 2.577 8.042 3.838 1.00 0.00 C ATOM 620 O ASP A 782 3.669 7.846 3.305 1.00 0.00 O ATOM 621 CB ASP A 782 3.456 10.269 4.563 1.00 0.00 C ATOM 622 CG ASP A 782 3.216 11.742 4.298 1.00 0.00 C ATOM 623 OD1 ASP A 782 2.388 12.346 5.012 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.856 12.292 3.377 1.00 0.00 O ATOM 0 H ASP A 782 1.911 8.793 6.335 1.00 0.00 H new ATOM 0 HA ASP A 782 1.562 9.911 3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.812 10.140 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.244 9.908 3.903 1.00 0.00 H new ATOM 629 N TRP A 783 1.668 7.086 3.999 1.00 0.00 N ATOM 630 CA TRP A 783 1.909 5.720 3.549 1.00 0.00 C ATOM 631 C TRP A 783 0.602 5.038 3.157 1.00 0.00 C ATOM 632 O TRP A 783 -0.478 5.467 3.564 1.00 0.00 O ATOM 633 CB TRP A 783 2.609 4.916 4.645 1.00 0.00 C ATOM 634 CG TRP A 783 4.055 5.275 4.814 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.570 6.228 5.646 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.169 4.689 4.132 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.938 6.269 5.522 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.330 5.334 4.601 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.299 3.681 3.174 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.602 5.003 4.142 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.562 3.353 2.719 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.700 4.012 3.203 1.00 0.00 C ATOM 0 H TRP A 783 0.759 7.232 4.437 1.00 0.00 H new ATOM 0 HA TRP A 783 2.554 5.761 2.671 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.090 5.075 5.590 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.530 3.854 4.413 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.988 6.856 6.304 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.561 6.895 6.033 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.428 3.167 2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.480 5.510 4.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.674 2.576 1.978 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.673 3.733 2.828 1.00 0.00 H new ATOM 653 N TRP A 784 0.708 3.977 2.367 1.00 0.00 N ATOM 654 CA TRP A 784 -0.467 3.236 1.921 1.00 0.00 C ATOM 655 C TRP A 784 -0.238 1.733 2.033 1.00 0.00 C ATOM 656 O TRP A 784 0.898 1.277 2.170 1.00 0.00 O ATOM 657 CB TRP A 784 -0.811 3.605 0.477 1.00 0.00 C ATOM 658 CG TRP A 784 -1.265 5.025 0.319 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.480 6.142 0.329 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.609 5.479 0.130 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.255 7.263 0.157 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.565 6.883 0.032 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.846 4.835 0.032 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.710 7.652 -0.158 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -4.982 5.600 -0.157 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.908 6.996 -0.251 1.00 0.00 C ATOM 0 H TRP A 784 1.595 3.610 2.022 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.302 3.507 2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 784 0.064 3.439 -0.151 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.594 2.938 0.116 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.593 6.144 0.454 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -0.911 8.223 0.127 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -3.913 3.759 0.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.655 8.728 -0.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.943 5.113 -0.234 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.814 7.566 -0.400 1.00 0.00 H new ATOM 677 N ARG A 785 -1.322 0.967 1.975 1.00 0.00 N ATOM 678 CA ARG A 785 -1.239 -0.485 2.072 1.00 0.00 C ATOM 679 C ARG A 785 -1.688 -1.143 0.770 1.00 0.00 C ATOM 680 O ARG A 785 -2.848 -1.031 0.375 1.00 0.00 O ATOM 681 CB ARG A 785 -2.095 -0.991 3.234 1.00 0.00 C ATOM 682 CG ARG A 785 -1.346 -1.065 4.555 1.00 0.00 C ATOM 683 CD ARG A 785 -1.892 -2.173 5.443 1.00 0.00 C ATOM 684 NE ARG A 785 -1.648 -1.909 6.858 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.596 -2.860 7.784 1.00 0.00 C ATOM 686 NH1 ARG A 785 -1.768 -4.130 7.445 1.00 0.00 N ATOM 687 NH2 ARG A 785 -1.370 -2.542 9.052 1.00 0.00 N ATOM 0 H ARG A 785 -2.269 1.328 1.861 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.198 -0.753 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -2.958 -0.335 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.479 -1.981 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.287 -1.238 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.425 -0.109 5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -2.963 -2.279 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -1.430 -3.121 5.166 1.00 0.00 H new ATOM 0 HE ARG A 785 -1.510 -0.942 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -1.941 -4.379 6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -1.728 -4.858 8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -1.236 -1.566 9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -1.330 -3.273 9.762 1.00 0.00 H new ATOM 701 N GLY A 786 -0.762 -1.830 0.109 1.00 0.00 N ATOM 702 CA GLY A 786 -1.082 -2.495 -1.140 1.00 0.00 C ATOM 703 C GLY A 786 -0.360 -3.820 -1.293 1.00 0.00 C ATOM 704 O GLY A 786 0.342 -4.259 -0.384 1.00 0.00 O ATOM 0 H GLY A 786 0.205 -1.938 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.158 -2.663 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.819 -1.843 -1.973 1.00 0.00 H new ATOM 708 N GLU A 787 -0.535 -4.457 -2.447 1.00 0.00 N ATOM 709 CA GLU A 787 0.103 -5.741 -2.714 1.00 0.00 C ATOM 710 C GLU A 787 0.675 -5.780 -4.128 1.00 0.00 C ATOM 711 O GLU A 787 -0.066 -5.760 -5.111 1.00 0.00 O ATOM 712 CB GLU A 787 -0.898 -6.882 -2.525 1.00 0.00 C ATOM 713 CG GLU A 787 -0.463 -8.186 -3.173 1.00 0.00 C ATOM 714 CD GLU A 787 -1.576 -9.215 -3.217 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.281 -9.371 -2.198 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.742 -9.865 -4.270 1.00 0.00 O ATOM 0 H GLU A 787 -1.112 -4.105 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 787 0.922 -5.865 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -1.049 -7.049 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.860 -6.583 -2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.118 -7.986 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.384 -8.596 -2.623 1.00 0.00 H new ATOM 723 N HIS A 788 2.000 -5.836 -4.223 1.00 0.00 N ATOM 724 CA HIS A 788 2.673 -5.878 -5.516 1.00 0.00 C ATOM 725 C HIS A 788 2.705 -7.301 -6.066 1.00 0.00 C ATOM 726 O HIS A 788 2.152 -8.221 -5.465 1.00 0.00 O ATOM 727 CB HIS A 788 4.097 -5.334 -5.392 1.00 0.00 C ATOM 728 CG HIS A 788 4.589 -4.655 -6.633 1.00 0.00 C ATOM 729 ND1 HIS A 788 5.910 -4.315 -6.831 1.00 0.00 N ATOM 730 CD2 HIS A 788 3.928 -4.253 -7.744 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.041 -3.732 -8.010 1.00 0.00 C ATOM 732 NE2 HIS A 788 4.852 -3.683 -8.584 1.00 0.00 N ATOM 0 H HIS A 788 2.628 -5.853 -3.420 1.00 0.00 H new ATOM 0 HA HIS A 788 2.112 -5.252 -6.210 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.137 -4.629 -4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.771 -6.155 -5.145 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.668 -4.487 -6.171 1.00 0.00 H new ATOM 0 HD2 HIS A 788 2.870 -4.361 -7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 788 6.963 -3.359 -8.432 1.00 0.00 H new ATOM 740 N ASN A 789 3.356 -7.473 -7.212 1.00 0.00 N ATOM 741 CA ASN A 789 3.459 -8.783 -7.843 1.00 0.00 C ATOM 742 C ASN A 789 3.981 -9.823 -6.856 1.00 0.00 C ATOM 743 O ASN A 789 5.189 -9.992 -6.697 1.00 0.00 O ATOM 744 CB ASN A 789 4.380 -8.714 -9.063 1.00 0.00 C ATOM 745 CG ASN A 789 4.663 -10.083 -9.652 1.00 0.00 C ATOM 746 OD1 ASN A 789 3.922 -11.038 -9.416 1.00 0.00 O ATOM 747 ND2 ASN A 789 5.739 -10.183 -10.424 1.00 0.00 N ATOM 0 H ASN A 789 3.820 -6.721 -7.722 1.00 0.00 H new ATOM 0 HA ASN A 789 2.462 -9.082 -8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 789 3.923 -8.081 -9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 789 5.321 -8.242 -8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 789 5.980 -11.078 -10.849 1.00 0.00 H new ATOM 0 HD22 ASN A 789 6.324 -9.365 -10.592 1.00 0.00 H new ATOM 754 N GLY A 790 3.060 -10.518 -6.195 1.00 0.00 N ATOM 755 CA GLY A 790 3.446 -11.533 -5.232 1.00 0.00 C ATOM 756 C GLY A 790 4.073 -10.941 -3.985 1.00 0.00 C ATOM 757 O GLY A 790 4.717 -11.648 -3.211 1.00 0.00 O ATOM 0 H GLY A 790 2.054 -10.396 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.569 -12.116 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.151 -12.222 -5.698 1.00 0.00 H new ATOM 761 N MET A 791 3.886 -9.639 -3.792 1.00 0.00 N ATOM 762 CA MET A 791 4.439 -8.953 -2.631 1.00 0.00 C ATOM 763 C MET A 791 3.354 -8.176 -1.891 1.00 0.00 C ATOM 764 O MET A 791 2.379 -7.727 -2.493 1.00 0.00 O ATOM 765 CB MET A 791 5.560 -8.003 -3.058 1.00 0.00 C ATOM 766 CG MET A 791 6.941 -8.638 -3.022 1.00 0.00 C ATOM 767 SD MET A 791 7.355 -9.307 -1.399 1.00 0.00 S ATOM 768 CE MET A 791 8.739 -8.263 -0.947 1.00 0.00 C ATOM 0 H MET A 791 3.356 -9.039 -4.424 1.00 0.00 H new ATOM 0 HA MET A 791 4.848 -9.706 -1.957 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.359 -7.648 -4.069 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.553 -7.130 -2.406 1.00 0.00 H new ATOM 0 HG2 MET A 791 6.989 -9.436 -3.763 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.686 -7.895 -3.305 1.00 0.00 H new ATOM 0 HE1 MET A 791 9.108 -8.554 0.037 1.00 0.00 H new ATOM 0 HE2 MET A 791 9.536 -8.377 -1.682 1.00 0.00 H new ATOM 0 HE3 MET A 791 8.416 -7.222 -0.920 1.00 0.00 H new ATOM 778 N ARG A 792 3.530 -8.023 -0.583 1.00 0.00 N ATOM 779 CA ARG A 792 2.565 -7.302 0.239 1.00 0.00 C ATOM 780 C ARG A 792 3.274 -6.427 1.269 1.00 0.00 C ATOM 781 O ARG A 792 4.190 -6.877 1.955 1.00 0.00 O ATOM 782 CB ARG A 792 1.630 -8.285 0.946 1.00 0.00 C ATOM 783 CG ARG A 792 0.758 -9.088 -0.005 1.00 0.00 C ATOM 784 CD ARG A 792 -0.216 -9.978 0.749 1.00 0.00 C ATOM 785 NE ARG A 792 0.466 -11.049 1.471 1.00 0.00 N ATOM 786 CZ ARG A 792 0.946 -12.140 0.884 1.00 0.00 C ATOM 787 NH1 ARG A 792 0.818 -12.304 -0.425 1.00 0.00 N ATOM 788 NH2 ARG A 792 1.554 -13.071 1.608 1.00 0.00 N ATOM 0 H ARG A 792 4.332 -8.389 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 792 1.977 -6.659 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.226 -8.972 1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.990 -7.733 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.205 -8.409 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.389 -9.701 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.788 -9.374 1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.929 -10.411 0.047 1.00 0.00 H new ATOM 0 HE ARG A 792 0.580 -10.954 2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 792 0.350 -11.591 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 792 1.188 -13.143 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 792 1.653 -12.949 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 792 1.922 -13.908 1.157 1.00 0.00 H new ATOM 802 N GLY A 793 2.842 -5.173 1.370 1.00 0.00 N ATOM 803 CA GLY A 793 3.447 -4.255 2.318 1.00 0.00 C ATOM 804 C GLY A 793 2.918 -2.842 2.173 1.00 0.00 C ATOM 805 O GLY A 793 1.860 -2.624 1.583 1.00 0.00 O ATOM 0 H GLY A 793 2.085 -4.777 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.259 -4.608 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.528 -4.252 2.177 1.00 0.00 H new ATOM 809 N LEU A 794 3.655 -1.878 2.714 1.00 0.00 N ATOM 810 CA LEU A 794 3.254 -0.477 2.645 1.00 0.00 C ATOM 811 C LEU A 794 3.688 0.148 1.323 1.00 0.00 C ATOM 812 O LEU A 794 4.383 -0.482 0.525 1.00 0.00 O ATOM 813 CB LEU A 794 3.856 0.305 3.814 1.00 0.00 C ATOM 814 CG LEU A 794 3.515 -0.211 5.212 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.536 0.281 6.226 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.112 0.222 5.612 1.00 0.00 C ATOM 0 H LEU A 794 4.534 -2.041 3.205 1.00 0.00 H new ATOM 0 HA LEU A 794 2.167 -0.432 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.940 0.307 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.526 1.341 3.740 1.00 0.00 H new ATOM 0 HG LEU A 794 3.547 -1.300 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.277 -0.096 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.527 -0.079 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.537 1.371 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.886 -0.154 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.053 1.310 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.390 -0.180 4.901 1.00 0.00 H new ATOM 828 N ILE A 795 3.274 1.391 1.098 1.00 0.00 N ATOM 829 CA ILE A 795 3.623 2.102 -0.125 1.00 0.00 C ATOM 830 C ILE A 795 3.769 3.598 0.131 1.00 0.00 C ATOM 831 O ILE A 795 2.942 4.223 0.795 1.00 0.00 O ATOM 832 CB ILE A 795 2.567 1.882 -1.225 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.540 0.412 -1.649 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.852 2.779 -2.420 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.418 0.081 -2.607 1.00 0.00 C ATOM 0 H ILE A 795 2.697 1.926 1.747 1.00 0.00 H new ATOM 0 HA ILE A 795 4.578 1.699 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 795 1.587 2.143 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.492 0.159 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.445 -0.212 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 795 2.097 2.612 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.825 3.823 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.838 2.546 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.460 -0.977 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.460 0.302 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.524 0.679 -3.512 1.00 0.00 H new ATOM 847 N PRO A 796 4.847 4.188 -0.408 1.00 0.00 N ATOM 848 CA PRO A 796 5.126 5.619 -0.253 1.00 0.00 C ATOM 849 C PRO A 796 4.141 6.489 -1.026 1.00 0.00 C ATOM 850 O PRO A 796 3.985 6.341 -2.238 1.00 0.00 O ATOM 851 CB PRO A 796 6.537 5.769 -0.827 1.00 0.00 C ATOM 852 CG PRO A 796 6.678 4.638 -1.786 1.00 0.00 C ATOM 853 CD PRO A 796 5.874 3.504 -1.210 1.00 0.00 C ATOM 0 HA PRO A 796 5.036 5.942 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.661 6.730 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.291 5.719 -0.042 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.310 4.915 -2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.724 4.354 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.429 2.889 -1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.490 2.845 -0.597 1.00 0.00 H new ATOM 861 N HIS A 797 3.478 7.397 -0.317 1.00 0.00 N ATOM 862 CA HIS A 797 2.508 8.292 -0.938 1.00 0.00 C ATOM 863 C HIS A 797 3.211 9.389 -1.732 1.00 0.00 C ATOM 864 O HIS A 797 2.588 10.090 -2.530 1.00 0.00 O ATOM 865 CB HIS A 797 1.604 8.917 0.126 1.00 0.00 C ATOM 866 CG HIS A 797 0.756 10.038 -0.391 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.536 9.860 -0.838 1.00 0.00 N ATOM 868 CD2 HIS A 797 1.022 11.358 -0.529 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.028 11.021 -1.230 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.103 11.947 -1.053 1.00 0.00 N ATOM 0 H HIS A 797 3.595 7.532 0.687 1.00 0.00 H new ATOM 0 HA HIS A 797 1.897 7.705 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.957 8.144 0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.222 9.287 0.944 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.946 11.855 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.019 11.185 -1.628 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.207 12.938 -1.270 1.00 0.00 H new ATOM 878 N LYS A 798 4.513 9.532 -1.508 1.00 0.00 N ATOM 879 CA LYS A 798 5.302 10.543 -2.203 1.00 0.00 C ATOM 880 C LYS A 798 5.752 10.037 -3.570 1.00 0.00 C ATOM 881 O LYS A 798 5.799 10.796 -4.538 1.00 0.00 O ATOM 882 CB LYS A 798 6.522 10.931 -1.364 1.00 0.00 C ATOM 883 CG LYS A 798 7.500 11.835 -2.095 1.00 0.00 C ATOM 884 CD LYS A 798 8.816 11.954 -1.346 1.00 0.00 C ATOM 885 CE LYS A 798 8.788 13.100 -0.347 1.00 0.00 C ATOM 886 NZ LYS A 798 8.226 12.677 0.966 1.00 0.00 N ATOM 0 H LYS A 798 5.044 8.961 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 798 4.674 11.422 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 798 6.184 11.433 -0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 798 7.041 10.025 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 798 7.684 11.441 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.060 12.824 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 798 9.024 11.020 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 798 9.627 12.110 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 798 9.799 13.482 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.192 13.919 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 7.455 13.320 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 7.858 11.707 0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 8.973 12.708 1.689 1.00 0.00 H new ATOM 900 N TYR A 799 6.080 8.752 -3.641 1.00 0.00 N ATOM 901 CA TYR A 799 6.527 8.146 -4.890 1.00 0.00 C ATOM 902 C TYR A 799 5.355 7.525 -5.644 1.00 0.00 C ATOM 903 O TYR A 799 5.525 6.563 -6.394 1.00 0.00 O ATOM 904 CB TYR A 799 7.591 7.083 -4.613 1.00 0.00 C ATOM 905 CG TYR A 799 8.895 7.650 -4.099 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.944 8.355 -2.902 1.00 0.00 C ATOM 907 CD2 TYR A 799 10.077 7.482 -4.809 1.00 0.00 C ATOM 908 CE1 TYR A 799 10.132 8.876 -2.428 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.270 7.998 -4.342 1.00 0.00 C ATOM 910 CZ TYR A 799 11.293 8.695 -3.151 1.00 0.00 C ATOM 911 OH TYR A 799 12.479 9.211 -2.684 1.00 0.00 O ATOM 0 H TYR A 799 6.045 8.110 -2.849 1.00 0.00 H new ATOM 0 HA TYR A 799 6.960 8.930 -5.511 1.00 0.00 H new ATOM 0 HB2 TYR A 799 7.201 6.372 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.783 6.526 -5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 799 8.037 8.498 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 799 10.063 6.939 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 799 10.152 9.422 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.180 7.857 -4.906 1.00 0.00 H new ATOM 0 HH TYR A 799 13.200 8.994 -3.311 1.00 0.00 H new ATOM 921 N ILE A 800 4.166 8.082 -5.439 1.00 0.00 N ATOM 922 CA ILE A 800 2.966 7.585 -6.099 1.00 0.00 C ATOM 923 C ILE A 800 1.947 8.701 -6.302 1.00 0.00 C ATOM 924 O ILE A 800 1.697 9.500 -5.399 1.00 0.00 O ATOM 925 CB ILE A 800 2.310 6.447 -5.294 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.868 6.954 -3.920 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.274 5.278 -5.148 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.457 7.500 -3.904 1.00 0.00 C ATOM 0 H ILE A 800 4.008 8.878 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 800 3.278 7.200 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 800 1.428 6.101 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.942 6.139 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.555 7.734 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.796 4.482 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.545 4.904 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 800 4.172 5.610 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.210 7.841 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.382 8.336 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.240 6.717 -4.202 1.00 0.00 H new ATOM 940 N THR A 801 1.360 8.750 -7.494 1.00 0.00 N ATOM 941 CA THR A 801 0.368 9.768 -7.816 1.00 0.00 C ATOM 942 C THR A 801 -1.030 9.165 -7.900 1.00 0.00 C ATOM 943 O THR A 801 -1.343 8.424 -8.833 1.00 0.00 O ATOM 944 CB THR A 801 0.694 10.469 -9.148 1.00 0.00 C ATOM 945 OG1 THR A 801 1.986 11.082 -9.076 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.354 11.521 -9.476 1.00 0.00 C ATOM 0 H THR A 801 1.555 8.096 -8.252 1.00 0.00 H new ATOM 0 HA THR A 801 0.396 10.503 -7.012 1.00 0.00 H new ATOM 0 HB THR A 801 0.692 9.718 -9.938 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.121 11.655 -9.860 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.103 12.003 -10.421 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.332 11.047 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.380 12.269 -8.683 1.00 0.00 H new ATOM 954 N LEU A 802 -1.868 9.488 -6.921 1.00 0.00 N ATOM 955 CA LEU A 802 -3.235 8.979 -6.886 1.00 0.00 C ATOM 956 C LEU A 802 -4.036 9.483 -8.082 1.00 0.00 C ATOM 957 O LEU A 802 -3.784 10.563 -8.617 1.00 0.00 O ATOM 958 CB LEU A 802 -3.922 9.397 -5.585 1.00 0.00 C ATOM 959 CG LEU A 802 -3.318 8.835 -4.296 1.00 0.00 C ATOM 960 CD1 LEU A 802 -3.939 9.505 -3.080 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.508 7.327 -4.232 1.00 0.00 C ATOM 0 H LEU A 802 -1.625 10.099 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.192 7.891 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.909 10.485 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -4.967 9.093 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.249 9.047 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.498 9.093 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.751 10.578 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.014 9.325 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.073 6.944 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.572 7.093 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.015 6.862 -5.086 1.00 0.00 H new ATOM 973 N PRO A 803 -5.025 8.686 -8.511 1.00 0.00 N ATOM 974 CA PRO A 803 -5.885 9.033 -9.646 1.00 0.00 C ATOM 975 C PRO A 803 -6.824 10.192 -9.330 1.00 0.00 C ATOM 976 O PRO A 803 -6.928 10.623 -8.182 1.00 0.00 O ATOM 977 CB PRO A 803 -6.683 7.750 -9.892 1.00 0.00 C ATOM 978 CG PRO A 803 -6.693 7.053 -8.575 1.00 0.00 C ATOM 979 CD PRO A 803 -5.381 7.385 -7.920 1.00 0.00 C ATOM 0 HA PRO A 803 -5.307 9.364 -10.509 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -7.695 7.972 -10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.217 7.135 -10.662 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.530 7.388 -7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -6.803 5.976 -8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.478 7.449 -6.836 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.625 6.628 -8.129 1.00 0.00 H new