USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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 778 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Set 1.2: A 783 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 768 ASN : amide:sc= 1.22 K(o=2.5,f=0.85) USER MOD Set 2.2: A 769 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.11) USER MOD Single : A 718 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 721 SER OG : rot -46:sc= 0.408 USER MOD Single : A 724 SER OG : rot 180:sc= 0 USER MOD Single : A 725 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.7) USER MOD Single : A 730 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 733 LYS NZ :NH3+ -138:sc= 0.594 (180deg=-1.82!) USER MOD Single : A 741 SER OG : rot 180:sc= -1.87! USER MOD Single : A 744 LYS NZ :NH3+ -173:sc= -1.83! (180deg=-1.93!) USER MOD Single : A 746 SER OG : rot 180:sc= 0 USER MOD Single : A 750 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 TYR OH : rot 30:sc= -0.689 USER MOD Single : A 754 LYS NZ :NH3+ 156:sc= 1.11 (180deg=0.0986) USER MOD Single : A 758 SER OG : rot 180:sc= 0.0803 USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 770 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 LYS NZ :NH3+ -170:sc=-0.00397 (180deg=-0.115) USER MOD Single : A 781 THR OG1 : rot 62:sc= 0.755 USER MOD Single : A 782 HIS : no HD1:sc= -0.883 K(o=-0.88,f=-0.16) USER MOD Single : A 785 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.4) USER MOD Single : A 810 TYR OH : rot 89:sc= 1.25 USER MOD Single : A 814 ASN : amide:sc= -0.0525 K(o=-0.052,f=-5.5!) USER MOD Single : A 816 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 817 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 137 N PHE A 717 -17.802 -0.164 0.009 1.00 0.00 N ATOM 138 CA PHE A 717 -16.407 -0.123 -0.411 1.00 0.00 C ATOM 139 C PHE A 717 -15.567 -0.664 0.738 1.00 0.00 C ATOM 140 O PHE A 717 -14.401 -0.329 0.897 1.00 0.00 O ATOM 141 CB PHE A 717 -15.988 1.340 -0.779 1.00 0.00 C ATOM 142 CG PHE A 717 -15.943 2.327 0.379 1.00 0.00 C ATOM 143 CD1 PHE A 717 -17.099 2.760 0.992 1.00 0.00 C ATOM 144 CD2 PHE A 717 -14.729 2.817 0.842 1.00 0.00 C ATOM 145 CE1 PHE A 717 -17.057 3.646 2.043 1.00 0.00 C ATOM 146 CE2 PHE A 717 -14.684 3.710 1.894 1.00 0.00 C ATOM 147 CZ PHE A 717 -15.849 4.121 2.494 1.00 0.00 C ATOM 0 HA PHE A 717 -16.255 -0.731 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 717 -15.003 1.310 -1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 717 -16.683 1.719 -1.528 1.00 0.00 H new ATOM 0 HD1 PHE A 717 -18.054 2.397 0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 717 -13.810 2.496 0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 717 -17.974 3.969 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 717 -13.734 4.085 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 717 -15.816 4.817 3.319 1.00 0.00 H new ATOM 157 N SER A 718 -16.169 -1.589 1.453 1.00 0.00 N ATOM 158 CA SER A 718 -15.655 -2.157 2.685 1.00 0.00 C ATOM 159 C SER A 718 -14.209 -2.652 2.573 1.00 0.00 C ATOM 160 O SER A 718 -13.387 -2.398 3.460 1.00 0.00 O ATOM 161 CB SER A 718 -16.578 -3.297 3.093 1.00 0.00 C ATOM 162 OG SER A 718 -17.938 -2.851 3.132 1.00 0.00 O ATOM 0 H SER A 718 -17.069 -1.984 1.182 1.00 0.00 H new ATOM 0 HA SER A 718 -15.635 -1.372 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 718 -16.480 -4.122 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 718 -16.285 -3.677 4.072 1.00 0.00 H new ATOM 0 HG SER A 718 -18.519 -3.595 3.394 1.00 0.00 H new ATOM 168 N GLU A 719 -13.882 -3.317 1.487 1.00 0.00 N ATOM 169 CA GLU A 719 -12.551 -3.839 1.341 1.00 0.00 C ATOM 170 C GLU A 719 -11.546 -2.740 1.019 1.00 0.00 C ATOM 171 O GLU A 719 -10.395 -2.814 1.439 1.00 0.00 O ATOM 172 CB GLU A 719 -12.497 -4.962 0.336 1.00 0.00 C ATOM 173 CG GLU A 719 -12.771 -4.574 -1.087 1.00 0.00 C ATOM 174 CD GLU A 719 -12.756 -5.774 -1.963 1.00 0.00 C ATOM 175 OE1 GLU A 719 -11.783 -6.552 -1.880 1.00 0.00 O ATOM 176 OE2 GLU A 719 -13.717 -5.972 -2.731 1.00 0.00 O ATOM 0 H GLU A 719 -14.511 -3.505 0.706 1.00 0.00 H new ATOM 0 HA GLU A 719 -12.265 -4.261 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 719 -11.510 -5.421 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 719 -13.218 -5.724 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 719 -13.739 -4.078 -1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 719 -12.022 -3.859 -1.426 1.00 0.00 H new ATOM 183 N TYR A 720 -12.000 -1.695 0.331 1.00 0.00 N ATOM 184 CA TYR A 720 -11.147 -0.557 0.004 1.00 0.00 C ATOM 185 C TYR A 720 -10.706 0.110 1.274 1.00 0.00 C ATOM 186 O TYR A 720 -9.534 0.489 1.419 1.00 0.00 O ATOM 187 CB TYR A 720 -11.875 0.462 -0.879 1.00 0.00 C ATOM 188 CG TYR A 720 -12.091 0.032 -2.308 1.00 0.00 C ATOM 189 CD1 TYR A 720 -13.115 -0.836 -2.661 1.00 0.00 C ATOM 190 CD2 TYR A 720 -11.274 0.524 -3.314 1.00 0.00 C ATOM 191 CE1 TYR A 720 -13.313 -1.199 -3.977 1.00 0.00 C ATOM 192 CE2 TYR A 720 -11.462 0.164 -4.627 1.00 0.00 C ATOM 193 CZ TYR A 720 -12.481 -0.695 -4.958 1.00 0.00 C ATOM 194 OH TYR A 720 -12.682 -1.038 -6.279 1.00 0.00 O ATOM 0 H TYR A 720 -12.957 -1.614 -0.011 1.00 0.00 H new ATOM 0 HA TYR A 720 -10.286 -0.928 -0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -12.844 0.680 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -11.307 1.392 -0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.765 -1.232 -1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -10.474 1.204 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -14.114 -1.874 -4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -10.811 0.555 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 720 -12.009 -0.596 -6.838 1.00 0.00 H new ATOM 204 N SER A 721 -11.641 0.217 2.206 1.00 0.00 N ATOM 205 CA SER A 721 -11.388 0.761 3.510 1.00 0.00 C ATOM 206 C SER A 721 -10.285 -0.041 4.197 1.00 0.00 C ATOM 207 O SER A 721 -9.399 0.518 4.804 1.00 0.00 O ATOM 208 CB SER A 721 -12.662 0.683 4.332 1.00 0.00 C ATOM 209 OG SER A 721 -13.749 1.231 3.618 1.00 0.00 O ATOM 0 H SER A 721 -12.607 -0.079 2.065 1.00 0.00 H new ATOM 0 HA SER A 721 -11.069 1.800 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 721 -12.874 -0.355 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 721 -12.529 1.220 5.271 1.00 0.00 H new ATOM 0 HG SER A 721 -13.484 2.089 3.226 1.00 0.00 H new ATOM 215 N ARG A 722 -10.326 -1.354 4.029 1.00 0.00 N ATOM 216 CA ARG A 722 -9.359 -2.239 4.651 1.00 0.00 C ATOM 217 C ARG A 722 -7.958 -2.049 4.096 1.00 0.00 C ATOM 218 O ARG A 722 -7.013 -1.957 4.864 1.00 0.00 O ATOM 219 CB ARG A 722 -9.790 -3.691 4.552 1.00 0.00 C ATOM 220 CG ARG A 722 -11.072 -3.982 5.296 1.00 0.00 C ATOM 221 CD ARG A 722 -11.447 -5.436 5.199 1.00 0.00 C ATOM 222 NE ARG A 722 -10.442 -6.310 5.794 1.00 0.00 N ATOM 223 CZ ARG A 722 -10.498 -7.643 5.793 1.00 0.00 C ATOM 224 NH1 ARG A 722 -11.457 -8.277 5.123 1.00 0.00 N ATOM 225 NH2 ARG A 722 -9.581 -8.337 6.436 1.00 0.00 N ATOM 0 H ARG A 722 -11.026 -1.831 3.461 1.00 0.00 H new ATOM 0 HA ARG A 722 -9.325 -1.967 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 722 -9.919 -3.955 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 722 -8.997 -4.327 4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 722 -10.957 -3.704 6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 722 -11.877 -3.370 4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 722 -12.404 -5.596 5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 722 -11.584 -5.704 4.151 1.00 0.00 H new ATOM 0 HE ARG A 722 -9.639 -5.870 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 722 -12.156 -7.744 4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 722 -11.493 -9.296 5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 722 -8.832 -7.855 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 722 -9.621 -9.356 6.437 1.00 0.00 H new ATOM 239 N ILE A 723 -7.813 -1.984 2.767 1.00 0.00 N ATOM 240 CA ILE A 723 -6.486 -1.755 2.193 1.00 0.00 C ATOM 241 C ILE A 723 -5.960 -0.353 2.613 1.00 0.00 C ATOM 242 O ILE A 723 -4.827 -0.203 3.093 1.00 0.00 O ATOM 243 CB ILE A 723 -6.420 -1.889 0.616 1.00 0.00 C ATOM 244 CG1 ILE A 723 -6.512 -3.350 0.126 1.00 0.00 C ATOM 245 CG2 ILE A 723 -5.136 -1.280 0.076 1.00 0.00 C ATOM 246 CD1 ILE A 723 -7.866 -4.008 0.213 1.00 0.00 C ATOM 0 H ILE A 723 -8.570 -2.083 2.091 1.00 0.00 H new ATOM 0 HA ILE A 723 -5.854 -2.548 2.593 1.00 0.00 H new ATOM 0 HB ILE A 723 -7.289 -1.350 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 723 -6.184 -3.382 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 723 -5.805 -3.948 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 723 -5.112 -1.384 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 723 -5.095 -0.223 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 723 -4.279 -1.796 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 723 -7.799 -5.030 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 723 -8.198 -4.022 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 723 -8.582 -3.448 -0.389 1.00 0.00 H new ATOM 258 N SER A 724 -6.814 0.648 2.455 1.00 0.00 N ATOM 259 CA SER A 724 -6.475 2.036 2.798 1.00 0.00 C ATOM 260 C SER A 724 -6.107 2.164 4.299 1.00 0.00 C ATOM 261 O SER A 724 -5.089 2.780 4.657 1.00 0.00 O ATOM 262 CB SER A 724 -7.651 2.976 2.428 1.00 0.00 C ATOM 263 OG SER A 724 -7.320 4.354 2.602 1.00 0.00 O ATOM 0 H SER A 724 -7.758 0.530 2.088 1.00 0.00 H new ATOM 0 HA SER A 724 -5.600 2.334 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 724 -7.939 2.802 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 724 -8.516 2.732 3.045 1.00 0.00 H new ATOM 0 HG SER A 724 -8.089 4.909 2.356 1.00 0.00 H new ATOM 269 N ASN A 725 -6.899 1.540 5.162 1.00 0.00 N ATOM 270 CA ASN A 725 -6.661 1.596 6.599 1.00 0.00 C ATOM 271 C ASN A 725 -5.421 0.811 6.953 1.00 0.00 C ATOM 272 O ASN A 725 -4.732 1.155 7.884 1.00 0.00 O ATOM 273 CB ASN A 725 -7.865 1.120 7.408 1.00 0.00 C ATOM 274 CG ASN A 725 -7.767 1.478 8.897 1.00 0.00 C ATOM 275 OD1 ASN A 725 -7.113 2.458 9.284 1.00 0.00 O ATOM 276 ND2 ASN A 725 -8.447 0.732 9.732 1.00 0.00 N ATOM 0 H ASN A 725 -7.713 0.988 4.891 1.00 0.00 H new ATOM 0 HA ASN A 725 -6.504 2.641 6.865 1.00 0.00 H new ATOM 0 HB2 ASN A 725 -8.772 1.561 6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 725 -7.960 0.039 7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 725 -8.447 0.952 10.728 1.00 0.00 H new ATOM 0 HD22 ASN A 725 -8.976 -0.068 9.386 1.00 0.00 H new ATOM 283 N LEU A 726 -5.146 -0.258 6.201 1.00 0.00 N ATOM 284 CA LEU A 726 -3.886 -1.003 6.360 1.00 0.00 C ATOM 285 C LEU A 726 -2.700 -0.065 6.247 1.00 0.00 C ATOM 286 O LEU A 726 -1.770 -0.131 7.052 1.00 0.00 O ATOM 287 CB LEU A 726 -3.773 -2.213 5.357 1.00 0.00 C ATOM 288 CG LEU A 726 -2.343 -2.579 4.825 1.00 0.00 C ATOM 289 CD1 LEU A 726 -2.283 -3.996 4.413 1.00 0.00 C ATOM 290 CD2 LEU A 726 -1.968 -1.742 3.612 1.00 0.00 C ATOM 0 H LEU A 726 -5.769 -0.627 5.482 1.00 0.00 H new ATOM 0 HA LEU A 726 -3.884 -1.438 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 726 -4.187 -3.095 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 726 -4.407 -1.998 4.497 1.00 0.00 H new ATOM 0 HG LEU A 726 -1.650 -2.384 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 726 -1.282 -4.227 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 726 -2.514 -4.633 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 726 -3.009 -4.175 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 726 -0.972 -2.022 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 726 -2.688 -1.917 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 726 -1.975 -0.686 3.882 1.00 0.00 H new ATOM 302 N ILE A 727 -2.771 0.824 5.268 1.00 0.00 N ATOM 303 CA ILE A 727 -1.744 1.816 5.046 1.00 0.00 C ATOM 304 C ILE A 727 -1.605 2.715 6.245 1.00 0.00 C ATOM 305 O ILE A 727 -0.513 2.855 6.795 1.00 0.00 O ATOM 306 CB ILE A 727 -1.994 2.634 3.728 1.00 0.00 C ATOM 307 CG1 ILE A 727 -1.522 1.841 2.507 1.00 0.00 C ATOM 308 CG2 ILE A 727 -1.351 4.028 3.747 1.00 0.00 C ATOM 309 CD1 ILE A 727 -0.030 1.544 2.536 1.00 0.00 C ATOM 0 H ILE A 727 -3.546 0.873 4.607 1.00 0.00 H new ATOM 0 HA ILE A 727 -0.798 1.291 4.910 1.00 0.00 H new ATOM 0 HB ILE A 727 -3.070 2.793 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 727 -2.073 0.902 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 727 -1.759 2.401 1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 727 -1.562 4.539 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 727 -1.761 4.607 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 727 -0.273 3.930 3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 727 0.246 0.980 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 727 0.527 2.481 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 727 0.207 0.959 3.424 1.00 0.00 H new ATOM 321 N VAL A 728 -2.713 3.255 6.688 1.00 0.00 N ATOM 322 CA VAL A 728 -2.713 4.167 7.809 1.00 0.00 C ATOM 323 C VAL A 728 -2.211 3.470 9.087 1.00 0.00 C ATOM 324 O VAL A 728 -1.287 3.949 9.737 1.00 0.00 O ATOM 325 CB VAL A 728 -4.116 4.782 8.051 1.00 0.00 C ATOM 326 CG1 VAL A 728 -4.092 5.763 9.215 1.00 0.00 C ATOM 327 CG2 VAL A 728 -4.631 5.464 6.789 1.00 0.00 C ATOM 0 H VAL A 728 -3.634 3.078 6.287 1.00 0.00 H new ATOM 0 HA VAL A 728 -2.029 4.979 7.561 1.00 0.00 H new ATOM 0 HB VAL A 728 -4.796 3.970 8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 728 -5.089 6.178 9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 728 -3.778 5.245 10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 728 -3.392 6.569 8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 728 -5.616 5.888 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 728 -3.944 6.259 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 728 -4.702 4.733 5.983 1.00 0.00 H new ATOM 337 N LEU A 729 -2.797 2.321 9.393 1.00 0.00 N ATOM 338 CA LEU A 729 -2.477 1.538 10.588 1.00 0.00 C ATOM 339 C LEU A 729 -1.032 1.121 10.643 1.00 0.00 C ATOM 340 O LEU A 729 -0.370 1.338 11.651 1.00 0.00 O ATOM 341 CB LEU A 729 -3.346 0.297 10.674 1.00 0.00 C ATOM 342 CG LEU A 729 -4.811 0.522 10.986 1.00 0.00 C ATOM 343 CD1 LEU A 729 -5.576 -0.758 10.739 1.00 0.00 C ATOM 344 CD2 LEU A 729 -4.987 0.959 12.437 1.00 0.00 C ATOM 0 H LEU A 729 -3.520 1.896 8.812 1.00 0.00 H new ATOM 0 HA LEU A 729 -2.675 2.194 11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -3.276 -0.235 9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -2.930 -0.359 11.439 1.00 0.00 H new ATOM 0 HG LEU A 729 -5.196 1.310 10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -6.631 -0.600 10.962 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -5.466 -1.052 9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -5.183 -1.546 11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -6.046 1.116 12.644 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -4.599 0.185 13.100 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -4.443 1.888 12.606 1.00 0.00 H new ATOM 356 N HIS A 730 -0.540 0.542 9.570 1.00 0.00 N ATOM 357 CA HIS A 730 0.816 0.049 9.556 1.00 0.00 C ATOM 358 C HIS A 730 1.784 1.211 9.652 1.00 0.00 C ATOM 359 O HIS A 730 2.723 1.164 10.434 1.00 0.00 O ATOM 360 CB HIS A 730 1.077 -0.818 8.310 1.00 0.00 C ATOM 361 CG HIS A 730 2.414 -1.520 8.282 1.00 0.00 C ATOM 362 ND1 HIS A 730 2.712 -2.645 9.026 1.00 0.00 N ATOM 363 CD2 HIS A 730 3.527 -1.252 7.557 1.00 0.00 C ATOM 364 CE1 HIS A 730 3.962 -3.017 8.739 1.00 0.00 C ATOM 365 NE2 HIS A 730 4.505 -2.205 7.844 1.00 0.00 N ATOM 0 H HIS A 730 -1.056 0.402 8.702 1.00 0.00 H new ATOM 0 HA HIS A 730 0.971 -0.594 10.423 1.00 0.00 H new ATOM 0 HB2 HIS A 730 0.289 -1.568 8.238 1.00 0.00 H new ATOM 0 HB3 HIS A 730 0.998 -0.187 7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 730 3.639 -0.430 6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 730 4.464 -3.867 9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 730 5.443 -2.264 7.447 1.00 0.00 H new ATOM 373 N LEU A 731 1.503 2.284 8.916 1.00 0.00 N ATOM 374 CA LEU A 731 2.367 3.453 8.925 1.00 0.00 C ATOM 375 C LEU A 731 2.407 4.092 10.328 1.00 0.00 C ATOM 376 O LEU A 731 3.490 4.335 10.874 1.00 0.00 O ATOM 377 CB LEU A 731 1.903 4.471 7.862 1.00 0.00 C ATOM 378 CG LEU A 731 2.924 5.530 7.385 1.00 0.00 C ATOM 379 CD1 LEU A 731 3.293 6.530 8.467 1.00 0.00 C ATOM 380 CD2 LEU A 731 4.168 4.841 6.862 1.00 0.00 C ATOM 0 H LEU A 731 0.687 2.364 8.310 1.00 0.00 H new ATOM 0 HA LEU A 731 3.380 3.138 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 731 1.566 3.913 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 731 1.035 4.997 8.259 1.00 0.00 H new ATOM 0 HG LEU A 731 2.447 6.098 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 731 4.012 7.246 8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 731 2.398 7.058 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 731 3.734 6.004 9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 731 4.885 5.590 6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 731 4.613 4.242 7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 731 3.902 4.194 6.026 1.00 0.00 H new ATOM 392 N ARG A 732 1.233 4.328 10.917 1.00 0.00 N ATOM 393 CA ARG A 732 1.153 4.968 12.241 1.00 0.00 C ATOM 394 C ARG A 732 1.822 4.102 13.310 1.00 0.00 C ATOM 395 O ARG A 732 2.346 4.610 14.305 1.00 0.00 O ATOM 396 CB ARG A 732 -0.305 5.311 12.632 1.00 0.00 C ATOM 397 CG ARG A 732 -1.212 4.102 12.796 1.00 0.00 C ATOM 398 CD ARG A 732 -2.653 4.486 13.068 1.00 0.00 C ATOM 399 NE ARG A 732 -2.826 5.145 14.365 1.00 0.00 N ATOM 400 CZ ARG A 732 -4.015 5.399 14.935 1.00 0.00 C ATOM 401 NH1 ARG A 732 -5.150 5.121 14.279 1.00 0.00 N ATOM 402 NH2 ARG A 732 -4.073 5.951 16.144 1.00 0.00 N ATOM 0 H ARG A 732 0.330 4.090 10.507 1.00 0.00 H new ATOM 0 HA ARG A 732 1.697 5.910 12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 732 -0.295 5.872 13.566 1.00 0.00 H new ATOM 0 HB3 ARG A 732 -0.728 5.967 11.871 1.00 0.00 H new ATOM 0 HG2 ARG A 732 -1.166 3.493 11.893 1.00 0.00 H new ATOM 0 HG3 ARG A 732 -0.844 3.485 13.615 1.00 0.00 H new ATOM 0 HD2 ARG A 732 -3.003 5.150 12.278 1.00 0.00 H new ATOM 0 HD3 ARG A 732 -3.276 3.592 13.033 1.00 0.00 H new ATOM 0 HE ARG A 732 -1.986 5.430 14.869 1.00 0.00 H new ATOM 0 HH11 ARG A 732 -5.112 4.715 13.344 1.00 0.00 H new ATOM 0 HH12 ARG A 732 -6.052 5.315 14.715 1.00 0.00 H new ATOM 0 HH21 ARG A 732 -3.213 6.183 16.641 1.00 0.00 H new ATOM 0 HH22 ARG A 732 -4.978 6.143 16.574 1.00 0.00 H new ATOM 416 N LYS A 733 1.769 2.798 13.127 1.00 0.00 N ATOM 417 CA LYS A 733 2.443 1.907 14.023 1.00 0.00 C ATOM 418 C LYS A 733 3.947 1.932 13.829 1.00 0.00 C ATOM 419 O LYS A 733 4.683 2.127 14.791 1.00 0.00 O ATOM 420 CB LYS A 733 1.866 0.493 13.994 1.00 0.00 C ATOM 421 CG LYS A 733 0.452 0.432 14.559 1.00 0.00 C ATOM 422 CD LYS A 733 -0.151 -0.979 14.604 1.00 0.00 C ATOM 423 CE LYS A 733 0.490 -1.908 15.656 1.00 0.00 C ATOM 424 NZ LYS A 733 1.833 -2.408 15.281 1.00 0.00 N ATOM 0 H LYS A 733 1.266 2.342 12.366 1.00 0.00 H new ATOM 0 HA LYS A 733 2.256 2.281 15.030 1.00 0.00 H new ATOM 0 HB2 LYS A 733 1.860 0.127 12.967 1.00 0.00 H new ATOM 0 HB3 LYS A 733 2.512 -0.172 14.566 1.00 0.00 H new ATOM 0 HG2 LYS A 733 0.459 0.844 15.568 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -0.195 1.072 13.958 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -1.219 -0.899 14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -0.048 -1.437 13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 733 0.565 -1.372 16.602 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -0.170 -2.759 15.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 1.910 -3.415 15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 1.974 -2.291 14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 2.560 -1.869 15.794 1.00 0.00 H new ATOM 438 N VAL A 734 4.409 1.806 12.585 1.00 0.00 N ATOM 439 CA VAL A 734 5.845 1.757 12.321 1.00 0.00 C ATOM 440 C VAL A 734 6.575 3.047 12.698 1.00 0.00 C ATOM 441 O VAL A 734 7.692 2.988 13.188 1.00 0.00 O ATOM 442 CB VAL A 734 6.230 1.276 10.890 1.00 0.00 C ATOM 443 CG1 VAL A 734 5.724 -0.134 10.648 1.00 0.00 C ATOM 444 CG2 VAL A 734 5.720 2.211 9.818 1.00 0.00 C ATOM 0 H VAL A 734 3.819 1.737 11.756 1.00 0.00 H new ATOM 0 HA VAL A 734 6.200 0.977 12.995 1.00 0.00 H new ATOM 0 HB VAL A 734 7.318 1.278 10.831 1.00 0.00 H new ATOM 0 HG11 VAL A 734 6.002 -0.453 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 734 6.167 -0.810 11.379 1.00 0.00 H new ATOM 0 HG13 VAL A 734 4.639 -0.153 10.747 1.00 0.00 H new ATOM 0 HG21 VAL A 734 6.013 1.835 8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 734 4.633 2.271 9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 734 6.146 3.203 9.968 1.00 0.00 H new ATOM 454 N GLU A 735 5.938 4.206 12.528 1.00 0.00 N ATOM 455 CA GLU A 735 6.571 5.463 12.947 1.00 0.00 C ATOM 456 C GLU A 735 6.816 5.488 14.451 1.00 0.00 C ATOM 457 O GLU A 735 7.746 6.130 14.928 1.00 0.00 O ATOM 458 CB GLU A 735 5.819 6.720 12.481 1.00 0.00 C ATOM 459 CG GLU A 735 4.354 6.795 12.850 1.00 0.00 C ATOM 460 CD GLU A 735 3.736 8.134 12.494 1.00 0.00 C ATOM 461 OE1 GLU A 735 4.046 8.695 11.417 1.00 0.00 O ATOM 462 OE2 GLU A 735 2.972 8.682 13.321 1.00 0.00 O ATOM 0 H GLU A 735 5.010 4.304 12.115 1.00 0.00 H new ATOM 0 HA GLU A 735 7.536 5.491 12.441 1.00 0.00 H new ATOM 0 HB2 GLU A 735 6.322 7.594 12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 735 5.903 6.788 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 735 3.812 6.000 12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 735 4.242 6.619 13.920 1.00 0.00 H new ATOM 469 N GLU A 736 5.991 4.779 15.176 1.00 0.00 N ATOM 470 CA GLU A 736 6.102 4.698 16.606 1.00 0.00 C ATOM 471 C GLU A 736 7.096 3.584 17.011 1.00 0.00 C ATOM 472 O GLU A 736 8.108 3.847 17.656 1.00 0.00 O ATOM 473 CB GLU A 736 4.718 4.413 17.204 1.00 0.00 C ATOM 474 CG GLU A 736 4.662 4.439 18.719 1.00 0.00 C ATOM 475 CD GLU A 736 4.925 5.805 19.282 1.00 0.00 C ATOM 476 OE1 GLU A 736 3.980 6.605 19.377 1.00 0.00 O ATOM 477 OE2 GLU A 736 6.079 6.112 19.642 1.00 0.00 O ATOM 0 H GLU A 736 5.219 4.238 14.787 1.00 0.00 H new ATOM 0 HA GLU A 736 6.478 5.646 16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 736 4.012 5.147 16.816 1.00 0.00 H new ATOM 0 HB3 GLU A 736 4.383 3.435 16.859 1.00 0.00 H new ATOM 0 HG2 GLU A 736 3.681 4.097 19.049 1.00 0.00 H new ATOM 0 HG3 GLU A 736 5.395 3.738 19.118 1.00 0.00 H new ATOM 484 N GLU A 737 6.829 2.357 16.579 1.00 0.00 N ATOM 485 CA GLU A 737 7.623 1.204 17.015 1.00 0.00 C ATOM 486 C GLU A 737 8.939 1.028 16.264 1.00 0.00 C ATOM 487 O GLU A 737 9.979 0.798 16.875 1.00 0.00 O ATOM 488 CB GLU A 737 6.787 -0.069 17.021 1.00 0.00 C ATOM 489 CG GLU A 737 6.145 -0.449 15.705 1.00 0.00 C ATOM 490 CD GLU A 737 4.995 -1.394 15.906 1.00 0.00 C ATOM 491 OE1 GLU A 737 5.193 -2.627 15.969 1.00 0.00 O ATOM 492 OE2 GLU A 737 3.855 -0.916 16.024 1.00 0.00 O ATOM 0 H GLU A 737 6.074 2.131 15.931 1.00 0.00 H new ATOM 0 HA GLU A 737 7.920 1.419 18.041 1.00 0.00 H new ATOM 0 HB2 GLU A 737 7.421 -0.894 17.345 1.00 0.00 H new ATOM 0 HB3 GLU A 737 6.000 0.040 17.768 1.00 0.00 H new ATOM 0 HG2 GLU A 737 5.794 0.450 15.197 1.00 0.00 H new ATOM 0 HG3 GLU A 737 6.889 -0.912 15.056 1.00 0.00 H new ATOM 499 N GLU A 738 8.900 1.147 14.958 1.00 0.00 N ATOM 500 CA GLU A 738 10.119 1.059 14.135 1.00 0.00 C ATOM 501 C GLU A 738 10.894 2.367 14.245 1.00 0.00 C ATOM 502 O GLU A 738 12.065 2.447 13.856 1.00 0.00 O ATOM 503 CB GLU A 738 9.783 0.788 12.662 1.00 0.00 C ATOM 504 CG GLU A 738 9.030 -0.504 12.408 1.00 0.00 C ATOM 505 CD GLU A 738 9.815 -1.726 12.787 1.00 0.00 C ATOM 506 OE1 GLU A 738 10.667 -2.162 11.999 1.00 0.00 O ATOM 507 OE2 GLU A 738 9.559 -2.304 13.858 1.00 0.00 O ATOM 0 H GLU A 738 8.044 1.306 14.427 1.00 0.00 H new ATOM 0 HA GLU A 738 10.721 0.229 14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 738 9.189 1.619 12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 738 10.711 0.770 12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 738 8.096 -0.490 12.970 1.00 0.00 H new ATOM 0 HG3 GLU A 738 8.765 -0.562 11.352 1.00 0.00 H new ATOM 514 N ASP A 739 10.203 3.387 14.781 1.00 0.00 N ATOM 515 CA ASP A 739 10.738 4.748 15.029 1.00 0.00 C ATOM 516 C ASP A 739 10.840 5.562 13.730 1.00 0.00 C ATOM 517 O ASP A 739 11.277 6.708 13.716 1.00 0.00 O ATOM 518 CB ASP A 739 12.085 4.687 15.806 1.00 0.00 C ATOM 519 CG ASP A 739 12.656 6.034 16.192 1.00 0.00 C ATOM 520 OD1 ASP A 739 12.113 6.684 17.111 1.00 0.00 O ATOM 521 OD2 ASP A 739 13.692 6.448 15.620 1.00 0.00 O ATOM 0 H ASP A 739 9.228 3.291 15.064 1.00 0.00 H new ATOM 0 HA ASP A 739 10.029 5.278 15.666 1.00 0.00 H new ATOM 0 HB2 ASP A 739 11.940 4.097 16.711 1.00 0.00 H new ATOM 0 HB3 ASP A 739 12.817 4.159 15.195 1.00 0.00 H new ATOM 526 N GLU A 740 10.343 4.997 12.658 1.00 0.00 N ATOM 527 CA GLU A 740 10.383 5.598 11.397 1.00 0.00 C ATOM 528 C GLU A 740 9.273 5.001 10.580 1.00 0.00 C ATOM 529 O GLU A 740 8.987 3.806 10.668 1.00 0.00 O ATOM 530 CB GLU A 740 11.745 5.410 10.717 1.00 0.00 C ATOM 531 CG GLU A 740 12.135 3.968 10.436 1.00 0.00 C ATOM 532 CD GLU A 740 13.462 3.883 9.755 1.00 0.00 C ATOM 533 OE1 GLU A 740 13.664 4.586 8.760 1.00 0.00 O ATOM 534 OE2 GLU A 740 14.348 3.149 10.231 1.00 0.00 O ATOM 0 H GLU A 740 9.893 4.082 12.664 1.00 0.00 H new ATOM 0 HA GLU A 740 10.247 6.675 11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 740 11.742 5.959 9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 740 12.512 5.861 11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 740 12.169 3.410 11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 740 11.374 3.499 9.812 1.00 0.00 H new ATOM 541 N SER A 741 8.655 5.826 9.847 1.00 0.00 N ATOM 542 CA SER A 741 7.512 5.518 8.995 1.00 0.00 C ATOM 543 C SER A 741 7.914 4.694 7.732 1.00 0.00 C ATOM 544 O SER A 741 7.322 4.846 6.665 1.00 0.00 O ATOM 545 CB SER A 741 6.926 6.859 8.570 1.00 0.00 C ATOM 546 OG SER A 741 6.733 7.704 9.704 1.00 0.00 O ATOM 0 H SER A 741 8.924 6.809 9.798 1.00 0.00 H new ATOM 0 HA SER A 741 6.797 4.905 9.544 1.00 0.00 H new ATOM 0 HB2 SER A 741 7.593 7.344 7.857 1.00 0.00 H new ATOM 0 HB3 SER A 741 5.975 6.702 8.061 1.00 0.00 H new ATOM 0 HG SER A 741 6.358 8.561 9.413 1.00 0.00 H new ATOM 552 N ALA A 742 8.854 3.791 7.881 1.00 0.00 N ATOM 553 CA ALA A 742 9.360 3.032 6.769 1.00 0.00 C ATOM 554 C ALA A 742 8.449 1.868 6.412 1.00 0.00 C ATOM 555 O ALA A 742 7.875 1.198 7.282 1.00 0.00 O ATOM 556 CB ALA A 742 10.771 2.571 7.040 1.00 0.00 C ATOM 0 H ALA A 742 9.287 3.564 8.776 1.00 0.00 H new ATOM 0 HA ALA A 742 9.379 3.690 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 742 11.137 1.998 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 742 11.413 3.438 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 742 10.784 1.943 7.931 1.00 0.00 H new ATOM 562 N LEU A 743 8.330 1.641 5.138 1.00 0.00 N ATOM 563 CA LEU A 743 7.471 0.646 4.582 1.00 0.00 C ATOM 564 C LEU A 743 8.287 -0.264 3.663 1.00 0.00 C ATOM 565 O LEU A 743 9.297 0.165 3.080 1.00 0.00 O ATOM 566 CB LEU A 743 6.371 1.357 3.775 1.00 0.00 C ATOM 567 CG LEU A 743 5.301 0.481 3.140 1.00 0.00 C ATOM 568 CD1 LEU A 743 4.502 -0.233 4.212 1.00 0.00 C ATOM 569 CD2 LEU A 743 4.390 1.317 2.253 1.00 0.00 C ATOM 0 H LEU A 743 8.849 2.165 4.434 1.00 0.00 H new ATOM 0 HA LEU A 743 7.021 0.042 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 743 5.877 2.071 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 743 6.851 1.932 2.983 1.00 0.00 H new ATOM 0 HG LEU A 743 5.787 -0.271 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 743 3.740 -0.856 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 743 5.168 -0.859 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 743 4.022 0.502 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 743 3.630 0.676 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 743 3.907 2.089 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 743 4.979 1.785 1.465 1.00 0.00 H new ATOM 581 N LYS A 744 7.890 -1.506 3.570 1.00 0.00 N ATOM 582 CA LYS A 744 8.529 -2.453 2.696 1.00 0.00 C ATOM 583 C LYS A 744 7.437 -3.071 1.814 1.00 0.00 C ATOM 584 O LYS A 744 6.537 -3.736 2.327 1.00 0.00 O ATOM 585 CB LYS A 744 9.250 -3.517 3.540 1.00 0.00 C ATOM 586 CG LYS A 744 10.206 -4.403 2.766 1.00 0.00 C ATOM 587 CD LYS A 744 10.891 -5.491 3.628 1.00 0.00 C ATOM 588 CE LYS A 744 11.784 -4.952 4.770 1.00 0.00 C ATOM 589 NZ LYS A 744 11.028 -4.428 5.946 1.00 0.00 N ATOM 0 H LYS A 744 7.109 -1.891 4.102 1.00 0.00 H new ATOM 0 HA LYS A 744 9.278 -1.977 2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 744 9.804 -3.016 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 744 8.502 -4.147 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 744 9.662 -4.886 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 744 10.974 -3.779 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 744 10.121 -6.130 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 744 11.499 -6.120 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 744 12.446 -5.750 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 744 12.417 -4.157 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 744 11.689 -3.980 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 744 10.330 -3.727 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 744 10.537 -5.212 6.421 1.00 0.00 H new ATOM 603 N ARG A 745 7.524 -2.832 0.503 1.00 0.00 N ATOM 604 CA ARG A 745 6.466 -3.195 -0.474 1.00 0.00 C ATOM 605 C ARG A 745 5.998 -4.656 -0.380 1.00 0.00 C ATOM 606 O ARG A 745 4.824 -4.919 -0.097 1.00 0.00 O ATOM 607 CB ARG A 745 6.927 -2.914 -1.913 1.00 0.00 C ATOM 608 CG ARG A 745 5.854 -3.211 -2.957 1.00 0.00 C ATOM 609 CD ARG A 745 6.384 -3.127 -4.377 1.00 0.00 C ATOM 610 NE ARG A 745 6.970 -1.820 -4.693 1.00 0.00 N ATOM 611 CZ ARG A 745 6.623 -1.056 -5.737 1.00 0.00 C ATOM 612 NH1 ARG A 745 5.541 -1.349 -6.478 1.00 0.00 N ATOM 613 NH2 ARG A 745 7.343 0.014 -6.026 1.00 0.00 N ATOM 0 H ARG A 745 8.332 -2.379 0.076 1.00 0.00 H new ATOM 0 HA ARG A 745 5.615 -2.566 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 745 7.225 -1.869 -1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 745 7.811 -3.515 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 745 5.448 -4.208 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 745 5.031 -2.506 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 745 7.136 -3.902 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 745 5.573 -3.334 -5.075 1.00 0.00 H new ATOM 0 HE ARG A 745 7.697 -1.466 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 745 4.971 -2.163 -6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 745 5.290 -0.757 -7.270 1.00 0.00 H new ATOM 0 HH21 ARG A 745 8.155 0.252 -5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 745 7.087 0.602 -6.819 1.00 0.00 H new ATOM 627 N SER A 746 6.913 -5.582 -0.606 1.00 0.00 N ATOM 628 CA SER A 746 6.602 -7.000 -0.645 1.00 0.00 C ATOM 629 C SER A 746 6.030 -7.453 0.688 1.00 0.00 C ATOM 630 O SER A 746 5.014 -8.130 0.734 1.00 0.00 O ATOM 631 CB SER A 746 7.873 -7.793 -0.999 1.00 0.00 C ATOM 632 OG SER A 746 7.620 -9.178 -1.183 1.00 0.00 O ATOM 0 H SER A 746 7.898 -5.370 -0.768 1.00 0.00 H new ATOM 0 HA SER A 746 5.849 -7.185 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 746 8.310 -7.383 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 746 8.610 -7.664 -0.206 1.00 0.00 H new ATOM 0 HG SER A 746 8.457 -9.636 -1.407 1.00 0.00 H new ATOM 638 N GLU A 747 6.665 -6.998 1.742 1.00 0.00 N ATOM 639 CA GLU A 747 6.326 -7.304 3.114 1.00 0.00 C ATOM 640 C GLU A 747 4.908 -6.863 3.454 1.00 0.00 C ATOM 641 O GLU A 747 4.154 -7.625 4.049 1.00 0.00 O ATOM 642 CB GLU A 747 7.318 -6.590 3.987 1.00 0.00 C ATOM 643 CG GLU A 747 7.180 -6.797 5.469 1.00 0.00 C ATOM 644 CD GLU A 747 8.263 -6.066 6.196 1.00 0.00 C ATOM 645 OE1 GLU A 747 9.387 -6.597 6.300 1.00 0.00 O ATOM 646 OE2 GLU A 747 8.045 -4.933 6.637 1.00 0.00 O ATOM 0 H GLU A 747 7.469 -6.376 1.664 1.00 0.00 H new ATOM 0 HA GLU A 747 6.366 -8.382 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 747 8.319 -6.902 3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 747 7.244 -5.522 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.205 -6.443 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.230 -7.861 5.701 1.00 0.00 H new ATOM 653 N LEU A 748 4.558 -5.639 3.054 1.00 0.00 N ATOM 654 CA LEU A 748 3.231 -5.075 3.299 1.00 0.00 C ATOM 655 C LEU A 748 2.155 -5.990 2.731 1.00 0.00 C ATOM 656 O LEU A 748 1.207 -6.373 3.425 1.00 0.00 O ATOM 657 CB LEU A 748 3.114 -3.688 2.656 1.00 0.00 C ATOM 658 CG LEU A 748 1.784 -2.962 2.871 1.00 0.00 C ATOM 659 CD1 LEU A 748 1.582 -2.612 4.338 1.00 0.00 C ATOM 660 CD2 LEU A 748 1.694 -1.726 1.992 1.00 0.00 C ATOM 0 H LEU A 748 5.186 -5.012 2.552 1.00 0.00 H new ATOM 0 HA LEU A 748 3.092 -4.983 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 748 3.916 -3.060 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 748 3.281 -3.791 1.584 1.00 0.00 H new ATOM 0 HG LEU A 748 0.980 -3.638 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 748 0.629 -2.097 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 748 1.581 -3.525 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 748 2.391 -1.963 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 748 0.740 -1.227 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 748 2.509 -1.045 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 748 1.768 -2.018 0.945 1.00 0.00 H new ATOM 672 N VAL A 749 2.337 -6.365 1.478 1.00 0.00 N ATOM 673 CA VAL A 749 1.405 -7.244 0.803 1.00 0.00 C ATOM 674 C VAL A 749 1.456 -8.619 1.452 1.00 0.00 C ATOM 675 O VAL A 749 0.431 -9.249 1.684 1.00 0.00 O ATOM 676 CB VAL A 749 1.747 -7.389 -0.704 1.00 0.00 C ATOM 677 CG1 VAL A 749 0.696 -8.218 -1.420 1.00 0.00 C ATOM 678 CG2 VAL A 749 1.881 -6.032 -1.359 1.00 0.00 C ATOM 0 H VAL A 749 3.128 -6.071 0.905 1.00 0.00 H new ATOM 0 HA VAL A 749 0.409 -6.811 0.890 1.00 0.00 H new ATOM 0 HB VAL A 749 2.704 -7.905 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 749 0.958 -8.305 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 749 0.650 -9.211 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -0.276 -7.733 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 749 2.121 -6.160 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 749 0.942 -5.488 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 749 2.677 -5.470 -0.871 1.00 0.00 H new ATOM 688 N ASN A 750 2.659 -9.024 1.796 1.00 0.00 N ATOM 689 CA ASN A 750 2.939 -10.327 2.377 1.00 0.00 C ATOM 690 C ASN A 750 2.163 -10.544 3.656 1.00 0.00 C ATOM 691 O ASN A 750 1.404 -11.504 3.763 1.00 0.00 O ATOM 692 CB ASN A 750 4.449 -10.507 2.622 1.00 0.00 C ATOM 693 CG ASN A 750 4.798 -11.854 3.229 1.00 0.00 C ATOM 694 OD1 ASN A 750 4.929 -12.854 2.523 1.00 0.00 O ATOM 695 ND2 ASN A 750 5.040 -11.879 4.518 1.00 0.00 N ATOM 0 H ASN A 750 3.491 -8.446 1.678 1.00 0.00 H new ATOM 0 HA ASN A 750 2.614 -11.080 1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 750 4.980 -10.392 1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 750 4.801 -9.715 3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 750 5.346 -12.744 4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 750 4.922 -11.033 5.076 1.00 0.00 H new ATOM 702 N TRP A 751 2.299 -9.635 4.615 1.00 0.00 N ATOM 703 CA TRP A 751 1.596 -9.817 5.867 1.00 0.00 C ATOM 704 C TRP A 751 0.110 -9.615 5.680 1.00 0.00 C ATOM 705 O TRP A 751 -0.685 -10.243 6.363 1.00 0.00 O ATOM 706 CB TRP A 751 2.149 -8.960 7.049 1.00 0.00 C ATOM 707 CG TRP A 751 1.981 -7.455 6.955 1.00 0.00 C ATOM 708 CD1 TRP A 751 2.934 -6.546 6.622 1.00 0.00 C ATOM 709 CD2 TRP A 751 0.791 -6.694 7.241 1.00 0.00 C ATOM 710 NE1 TRP A 751 2.414 -5.277 6.668 1.00 0.00 N ATOM 711 CE2 TRP A 751 1.103 -5.344 7.042 1.00 0.00 C ATOM 712 CE3 TRP A 751 -0.509 -7.029 7.636 1.00 0.00 C ATOM 713 CZ2 TRP A 751 0.168 -4.331 7.227 1.00 0.00 C ATOM 714 CZ3 TRP A 751 -1.430 -6.025 7.817 1.00 0.00 C ATOM 715 CH2 TRP A 751 -1.090 -4.693 7.612 1.00 0.00 C ATOM 0 H TRP A 751 2.871 -8.793 4.550 1.00 0.00 H new ATOM 0 HA TRP A 751 1.779 -10.850 6.163 1.00 0.00 H new ATOM 0 HB2 TRP A 751 1.665 -9.297 7.966 1.00 0.00 H new ATOM 0 HB3 TRP A 751 3.213 -9.175 7.153 1.00 0.00 H new ATOM 0 HD1 TRP A 751 3.953 -6.787 6.359 1.00 0.00 H new ATOM 0 HE1 TRP A 751 2.926 -4.420 6.456 1.00 0.00 H new ATOM 0 HE3 TRP A 751 -0.784 -8.061 7.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 751 0.429 -3.295 7.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 751 -2.435 -6.275 8.124 1.00 0.00 H new ATOM 0 HH2 TRP A 751 -1.838 -3.928 7.761 1.00 0.00 H new ATOM 726 N TYR A 752 -0.261 -8.765 4.713 1.00 0.00 N ATOM 727 CA TYR A 752 -1.659 -8.481 4.445 1.00 0.00 C ATOM 728 C TYR A 752 -2.368 -9.761 4.092 1.00 0.00 C ATOM 729 O TYR A 752 -3.368 -10.121 4.710 1.00 0.00 O ATOM 730 CB TYR A 752 -1.813 -7.469 3.302 1.00 0.00 C ATOM 731 CG TYR A 752 -3.257 -7.063 3.052 1.00 0.00 C ATOM 732 CD1 TYR A 752 -4.038 -6.571 4.088 1.00 0.00 C ATOM 733 CD2 TYR A 752 -3.845 -7.191 1.799 1.00 0.00 C ATOM 734 CE1 TYR A 752 -5.341 -6.213 3.897 1.00 0.00 C ATOM 735 CE2 TYR A 752 -5.159 -6.844 1.601 1.00 0.00 C ATOM 736 CZ TYR A 752 -5.903 -6.352 2.661 1.00 0.00 C ATOM 737 OH TYR A 752 -7.218 -6.015 2.485 1.00 0.00 O ATOM 0 H TYR A 752 0.394 -8.268 4.109 1.00 0.00 H new ATOM 0 HA TYR A 752 -2.101 -8.045 5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 752 -1.227 -6.579 3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 752 -1.399 -7.896 2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 752 -3.603 -6.469 5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 752 -3.262 -7.568 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 752 -5.923 -5.822 4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 752 -5.609 -6.954 0.626 1.00 0.00 H new ATOM 0 HH TYR A 752 -7.459 -5.300 3.110 1.00 0.00 H new ATOM 747 N LEU A 753 -1.799 -10.459 3.140 1.00 0.00 N ATOM 748 CA LEU A 753 -2.325 -11.713 2.668 1.00 0.00 C ATOM 749 C LEU A 753 -2.303 -12.744 3.780 1.00 0.00 C ATOM 750 O LEU A 753 -3.313 -13.347 4.082 1.00 0.00 O ATOM 751 CB LEU A 753 -1.489 -12.201 1.500 1.00 0.00 C ATOM 752 CG LEU A 753 -1.357 -11.231 0.331 1.00 0.00 C ATOM 753 CD1 LEU A 753 -0.365 -11.758 -0.672 1.00 0.00 C ATOM 754 CD2 LEU A 753 -2.706 -10.953 -0.322 1.00 0.00 C ATOM 0 H LEU A 753 -0.945 -10.166 2.665 1.00 0.00 H new ATOM 0 HA LEU A 753 -3.356 -11.569 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -0.490 -12.438 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -1.922 -13.130 1.130 1.00 0.00 H new ATOM 0 HG LEU A 753 -0.987 -10.281 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -0.279 -11.057 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 753 0.608 -11.876 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -0.704 -12.724 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -2.573 -10.258 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -3.129 -11.886 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -3.383 -10.516 0.412 1.00 0.00 H new ATOM 766 N LYS A 754 -1.157 -12.881 4.423 1.00 0.00 N ATOM 767 CA LYS A 754 -0.950 -13.881 5.474 1.00 0.00 C ATOM 768 C LYS A 754 -1.911 -13.747 6.650 1.00 0.00 C ATOM 769 O LYS A 754 -2.385 -14.754 7.183 1.00 0.00 O ATOM 770 CB LYS A 754 0.517 -13.910 5.929 1.00 0.00 C ATOM 771 CG LYS A 754 1.402 -14.860 5.111 1.00 0.00 C ATOM 772 CD LYS A 754 1.322 -14.589 3.612 1.00 0.00 C ATOM 773 CE LYS A 754 2.004 -15.670 2.803 1.00 0.00 C ATOM 774 NZ LYS A 754 1.469 -17.014 3.128 1.00 0.00 N ATOM 0 H LYS A 754 -0.337 -12.304 4.236 1.00 0.00 H new ATOM 0 HA LYS A 754 -1.185 -14.846 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 754 0.927 -12.902 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 754 0.556 -14.205 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 754 2.436 -14.761 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 754 1.102 -15.889 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 754 0.277 -14.517 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 754 1.784 -13.626 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 754 1.868 -15.471 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 754 3.076 -15.648 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 754 1.631 -17.655 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 754 1.952 -17.385 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 754 0.448 -16.945 3.316 1.00 0.00 H new ATOM 788 N GLU A 755 -2.229 -12.535 7.009 1.00 0.00 N ATOM 789 CA GLU A 755 -3.147 -12.279 8.101 1.00 0.00 C ATOM 790 C GLU A 755 -4.580 -12.557 7.678 1.00 0.00 C ATOM 791 O GLU A 755 -5.364 -13.089 8.459 1.00 0.00 O ATOM 792 CB GLU A 755 -3.033 -10.836 8.616 1.00 0.00 C ATOM 793 CG GLU A 755 -1.726 -10.503 9.329 1.00 0.00 C ATOM 794 CD GLU A 755 -1.529 -11.292 10.603 1.00 0.00 C ATOM 795 OE1 GLU A 755 -2.215 -11.003 11.610 1.00 0.00 O ATOM 796 OE2 GLU A 755 -0.661 -12.182 10.644 1.00 0.00 O ATOM 0 H GLU A 755 -1.865 -11.695 6.560 1.00 0.00 H new ATOM 0 HA GLU A 755 -2.873 -12.954 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 755 -3.152 -10.156 7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 755 -3.860 -10.644 9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 755 -0.892 -10.698 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 755 -1.707 -9.438 9.561 1.00 0.00 H new ATOM 803 N ILE A 756 -4.927 -12.220 6.444 1.00 0.00 N ATOM 804 CA ILE A 756 -6.310 -12.379 5.987 1.00 0.00 C ATOM 805 C ILE A 756 -6.585 -13.781 5.461 1.00 0.00 C ATOM 806 O ILE A 756 -7.725 -14.132 5.227 1.00 0.00 O ATOM 807 CB ILE A 756 -6.731 -11.336 4.916 1.00 0.00 C ATOM 808 CG1 ILE A 756 -5.909 -11.502 3.629 1.00 0.00 C ATOM 809 CG2 ILE A 756 -6.605 -9.921 5.475 1.00 0.00 C ATOM 810 CD1 ILE A 756 -6.288 -10.554 2.519 1.00 0.00 C ATOM 0 H ILE A 756 -4.286 -11.840 5.747 1.00 0.00 H new ATOM 0 HA ILE A 756 -6.915 -12.206 6.877 1.00 0.00 H new ATOM 0 HB ILE A 756 -7.776 -11.509 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 756 -4.854 -11.361 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 756 -6.022 -12.525 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 756 -6.903 -9.201 4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 756 -7.251 -9.815 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 756 -5.571 -9.735 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 756 -5.658 -10.741 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 756 -7.333 -10.708 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 756 -6.148 -9.526 2.854 1.00 0.00 H new ATOM 822 N GLU A 757 -5.535 -14.580 5.286 1.00 0.00 N ATOM 823 CA GLU A 757 -5.649 -15.978 4.801 1.00 0.00 C ATOM 824 C GLU A 757 -6.689 -16.827 5.576 1.00 0.00 C ATOM 825 O GLU A 757 -7.204 -17.824 5.059 1.00 0.00 O ATOM 826 CB GLU A 757 -4.288 -16.678 4.786 1.00 0.00 C ATOM 827 CG GLU A 757 -3.424 -16.382 3.574 1.00 0.00 C ATOM 828 CD GLU A 757 -2.204 -17.268 3.528 1.00 0.00 C ATOM 829 OE1 GLU A 757 -2.334 -18.437 3.122 1.00 0.00 O ATOM 830 OE2 GLU A 757 -1.103 -16.831 3.907 1.00 0.00 O ATOM 0 H GLU A 757 -4.576 -14.289 5.473 1.00 0.00 H new ATOM 0 HA GLU A 757 -6.018 -15.899 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 757 -3.739 -16.390 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 757 -4.450 -17.754 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 757 -4.010 -16.523 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 757 -3.114 -15.337 3.594 1.00 0.00 H new ATOM 837 N SER A 758 -6.999 -16.414 6.775 1.00 0.00 N ATOM 838 CA SER A 758 -7.987 -17.052 7.599 1.00 0.00 C ATOM 839 C SER A 758 -9.396 -16.889 7.005 1.00 0.00 C ATOM 840 O SER A 758 -10.152 -17.853 6.890 1.00 0.00 O ATOM 841 CB SER A 758 -7.910 -16.402 8.955 1.00 0.00 C ATOM 842 OG SER A 758 -7.800 -14.987 8.789 1.00 0.00 O ATOM 0 H SER A 758 -6.561 -15.605 7.216 1.00 0.00 H new ATOM 0 HA SER A 758 -7.794 -18.123 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 758 -8.798 -16.644 9.539 1.00 0.00 H new ATOM 0 HB3 SER A 758 -7.051 -16.784 9.507 1.00 0.00 H new ATOM 0 HG SER A 758 -7.751 -14.557 9.668 1.00 0.00 H new ATOM 848 N GLU A 759 -9.700 -15.684 6.558 1.00 0.00 N ATOM 849 CA GLU A 759 -11.019 -15.358 6.060 1.00 0.00 C ATOM 850 C GLU A 759 -11.087 -15.651 4.579 1.00 0.00 C ATOM 851 O GLU A 759 -12.168 -15.686 3.977 1.00 0.00 O ATOM 852 CB GLU A 759 -11.334 -13.880 6.326 1.00 0.00 C ATOM 853 CG GLU A 759 -10.460 -12.915 5.546 1.00 0.00 C ATOM 854 CD GLU A 759 -10.657 -11.494 5.940 1.00 0.00 C ATOM 855 OE1 GLU A 759 -11.664 -10.882 5.551 1.00 0.00 O ATOM 856 OE2 GLU A 759 -9.813 -10.944 6.649 1.00 0.00 O ATOM 0 H GLU A 759 -9.040 -14.907 6.531 1.00 0.00 H new ATOM 0 HA GLU A 759 -11.760 -15.967 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -12.378 -13.691 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -11.218 -13.680 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -9.414 -13.184 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -10.671 -13.023 4.482 1.00 0.00 H new ATOM 863 N ILE A 760 -9.933 -15.839 3.982 1.00 0.00 N ATOM 864 CA ILE A 760 -9.857 -16.142 2.586 1.00 0.00 C ATOM 865 C ILE A 760 -10.159 -17.607 2.368 1.00 0.00 C ATOM 866 O ILE A 760 -9.295 -18.475 2.532 1.00 0.00 O ATOM 867 CB ILE A 760 -8.487 -15.781 1.966 1.00 0.00 C ATOM 868 CG1 ILE A 760 -8.140 -14.304 2.190 1.00 0.00 C ATOM 869 CG2 ILE A 760 -8.477 -16.095 0.490 1.00 0.00 C ATOM 870 CD1 ILE A 760 -9.164 -13.331 1.654 1.00 0.00 C ATOM 0 H ILE A 760 -9.030 -15.785 4.453 1.00 0.00 H new ATOM 0 HA ILE A 760 -10.601 -15.526 2.080 1.00 0.00 H new ATOM 0 HB ILE A 760 -7.730 -16.386 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 760 -8.018 -14.131 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 760 -7.178 -14.095 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 760 -7.506 -15.835 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 760 -8.663 -17.159 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 760 -9.255 -15.518 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 760 -8.837 -12.311 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 760 -9.271 -13.471 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 760 -10.123 -13.508 2.140 1.00 0.00 H new ATOM 882 N ASP A 761 -11.403 -17.866 2.070 1.00 0.00 N ATOM 883 CA ASP A 761 -11.889 -19.220 1.829 1.00 0.00 C ATOM 884 C ASP A 761 -11.918 -19.503 0.337 1.00 0.00 C ATOM 885 O ASP A 761 -12.083 -20.630 -0.099 1.00 0.00 O ATOM 886 CB ASP A 761 -13.299 -19.372 2.421 1.00 0.00 C ATOM 887 CG ASP A 761 -13.890 -20.757 2.242 1.00 0.00 C ATOM 888 OD1 ASP A 761 -13.639 -21.637 3.101 1.00 0.00 O ATOM 889 OD2 ASP A 761 -14.636 -20.990 1.257 1.00 0.00 O ATOM 0 H ASP A 761 -12.122 -17.147 1.984 1.00 0.00 H new ATOM 0 HA ASP A 761 -11.219 -19.934 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 761 -13.264 -19.136 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 761 -13.960 -18.642 1.954 1.00 0.00 H new ATOM 894 N SER A 762 -11.738 -18.475 -0.439 1.00 0.00 N ATOM 895 CA SER A 762 -11.802 -18.595 -1.852 1.00 0.00 C ATOM 896 C SER A 762 -10.561 -17.975 -2.470 1.00 0.00 C ATOM 897 O SER A 762 -10.205 -16.844 -2.136 1.00 0.00 O ATOM 898 CB SER A 762 -13.053 -17.883 -2.351 1.00 0.00 C ATOM 899 OG SER A 762 -14.215 -18.389 -1.713 1.00 0.00 O ATOM 0 H SER A 762 -11.543 -17.532 -0.102 1.00 0.00 H new ATOM 0 HA SER A 762 -11.847 -19.646 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 762 -12.967 -16.813 -2.162 1.00 0.00 H new ATOM 0 HB3 SER A 762 -13.142 -18.010 -3.430 1.00 0.00 H new ATOM 0 HG SER A 762 -15.005 -17.915 -2.048 1.00 0.00 H new ATOM 905 N GLU A 763 -9.926 -18.713 -3.369 1.00 0.00 N ATOM 906 CA GLU A 763 -8.717 -18.268 -4.092 1.00 0.00 C ATOM 907 C GLU A 763 -8.971 -16.930 -4.785 1.00 0.00 C ATOM 908 O GLU A 763 -8.111 -16.049 -4.798 1.00 0.00 O ATOM 909 CB GLU A 763 -8.338 -19.333 -5.112 1.00 0.00 C ATOM 910 CG GLU A 763 -7.052 -19.074 -5.866 1.00 0.00 C ATOM 911 CD GLU A 763 -6.786 -20.146 -6.879 1.00 0.00 C ATOM 912 OE1 GLU A 763 -6.537 -21.302 -6.486 1.00 0.00 O ATOM 913 OE2 GLU A 763 -6.861 -19.874 -8.097 1.00 0.00 O ATOM 0 H GLU A 763 -10.230 -19.651 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 763 -7.898 -18.129 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 763 -8.253 -20.291 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 763 -9.150 -19.428 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 763 -7.110 -18.106 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 763 -6.221 -19.021 -5.163 1.00 0.00 H new ATOM 920 N GLU A 764 -10.179 -16.785 -5.316 1.00 0.00 N ATOM 921 CA GLU A 764 -10.634 -15.559 -5.967 1.00 0.00 C ATOM 922 C GLU A 764 -10.437 -14.341 -5.063 1.00 0.00 C ATOM 923 O GLU A 764 -9.954 -13.313 -5.499 1.00 0.00 O ATOM 924 CB GLU A 764 -12.103 -15.697 -6.330 1.00 0.00 C ATOM 925 CG GLU A 764 -12.377 -16.776 -7.361 1.00 0.00 C ATOM 926 CD GLU A 764 -11.702 -16.493 -8.673 1.00 0.00 C ATOM 927 OE1 GLU A 764 -12.161 -15.589 -9.405 1.00 0.00 O ATOM 928 OE2 GLU A 764 -10.696 -17.148 -8.997 1.00 0.00 O ATOM 0 H GLU A 764 -10.881 -17.525 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 764 -10.039 -15.408 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 764 -12.672 -15.917 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 764 -12.465 -14.742 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 764 -12.034 -17.737 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 764 -13.452 -16.861 -7.519 1.00 0.00 H new ATOM 935 N GLU A 765 -10.765 -14.505 -3.792 1.00 0.00 N ATOM 936 CA GLU A 765 -10.646 -13.447 -2.796 1.00 0.00 C ATOM 937 C GLU A 765 -9.200 -13.059 -2.566 1.00 0.00 C ATOM 938 O GLU A 765 -8.882 -11.871 -2.438 1.00 0.00 O ATOM 939 CB GLU A 765 -11.270 -13.889 -1.482 1.00 0.00 C ATOM 940 CG GLU A 765 -12.765 -13.991 -1.520 1.00 0.00 C ATOM 941 CD GLU A 765 -13.413 -12.640 -1.723 1.00 0.00 C ATOM 942 OE1 GLU A 765 -13.490 -11.858 -0.751 1.00 0.00 O ATOM 943 OE2 GLU A 765 -13.849 -12.330 -2.851 1.00 0.00 O ATOM 0 H GLU A 765 -11.125 -15.383 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 765 -11.177 -12.575 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 765 -10.857 -14.859 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 765 -10.984 -13.185 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 765 -13.064 -14.662 -2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 765 -13.124 -14.430 -0.589 1.00 0.00 H new ATOM 950 N LEU A 766 -8.330 -14.056 -2.533 1.00 0.00 N ATOM 951 CA LEU A 766 -6.905 -13.826 -2.326 1.00 0.00 C ATOM 952 C LEU A 766 -6.365 -13.015 -3.491 1.00 0.00 C ATOM 953 O LEU A 766 -5.704 -11.986 -3.301 1.00 0.00 O ATOM 954 CB LEU A 766 -6.141 -15.156 -2.221 1.00 0.00 C ATOM 955 CG LEU A 766 -4.664 -15.061 -1.797 1.00 0.00 C ATOM 956 CD1 LEU A 766 -4.527 -14.451 -0.405 1.00 0.00 C ATOM 957 CD2 LEU A 766 -4.011 -16.430 -1.835 1.00 0.00 C ATOM 0 H LEU A 766 -8.585 -15.037 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 766 -6.766 -13.283 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 766 -6.662 -15.795 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 766 -6.188 -15.655 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 766 -4.155 -14.407 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 766 -3.473 -14.397 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 766 -4.954 -13.448 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 766 -5.056 -15.072 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 766 -2.967 -16.344 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 766 -4.533 -17.101 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 766 -4.063 -16.830 -2.848 1.00 0.00 H new ATOM 969 N ILE A 767 -6.697 -13.468 -4.693 1.00 0.00 N ATOM 970 CA ILE A 767 -6.303 -12.793 -5.928 1.00 0.00 C ATOM 971 C ILE A 767 -6.882 -11.364 -5.960 1.00 0.00 C ATOM 972 O ILE A 767 -6.180 -10.407 -6.294 1.00 0.00 O ATOM 973 CB ILE A 767 -6.776 -13.595 -7.179 1.00 0.00 C ATOM 974 CG1 ILE A 767 -6.164 -15.010 -7.157 1.00 0.00 C ATOM 975 CG2 ILE A 767 -6.393 -12.864 -8.472 1.00 0.00 C ATOM 976 CD1 ILE A 767 -6.655 -15.920 -8.268 1.00 0.00 C ATOM 0 H ILE A 767 -7.247 -14.314 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 767 -5.215 -12.736 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 767 -7.862 -13.679 -7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 767 -5.079 -14.925 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 767 -6.388 -15.475 -6.197 1.00 0.00 H new ATOM 0 HG21 ILE A 767 -6.733 -13.442 -9.331 1.00 0.00 H new ATOM 0 HG22 ILE A 767 -6.863 -11.881 -8.487 1.00 0.00 H new ATOM 0 HG23 ILE A 767 -5.310 -12.749 -8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 767 -6.175 -16.895 -8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 767 -7.736 -16.039 -8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 767 -6.407 -15.481 -9.234 1.00 0.00 H new ATOM 988 N ASN A 768 -8.141 -11.238 -5.562 1.00 0.00 N ATOM 989 CA ASN A 768 -8.842 -9.959 -5.494 1.00 0.00 C ATOM 990 C ASN A 768 -8.111 -8.965 -4.610 1.00 0.00 C ATOM 991 O ASN A 768 -7.821 -7.834 -5.032 1.00 0.00 O ATOM 992 CB ASN A 768 -10.274 -10.167 -4.975 1.00 0.00 C ATOM 993 CG ASN A 768 -10.932 -8.879 -4.528 1.00 0.00 C ATOM 994 OD1 ASN A 768 -11.537 -8.167 -5.320 1.00 0.00 O ATOM 995 ND2 ASN A 768 -10.828 -8.590 -3.255 1.00 0.00 N ATOM 0 H ASN A 768 -8.713 -12.031 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 768 -8.877 -9.547 -6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 768 -10.877 -10.623 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 768 -10.254 -10.868 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 768 -11.261 -7.743 -2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 768 -10.314 -9.212 -2.631 1.00 0.00 H new ATOM 1002 N LYS A 769 -7.797 -9.388 -3.395 1.00 0.00 N ATOM 1003 CA LYS A 769 -7.115 -8.529 -2.460 1.00 0.00 C ATOM 1004 C LYS A 769 -5.749 -8.135 -2.983 1.00 0.00 C ATOM 1005 O LYS A 769 -5.339 -6.989 -2.819 1.00 0.00 O ATOM 1006 CB LYS A 769 -7.035 -9.155 -1.068 1.00 0.00 C ATOM 1007 CG LYS A 769 -8.346 -9.102 -0.274 1.00 0.00 C ATOM 1008 CD LYS A 769 -8.729 -7.659 0.110 1.00 0.00 C ATOM 1009 CE LYS A 769 -9.991 -7.610 0.979 1.00 0.00 C ATOM 1010 NZ LYS A 769 -11.217 -8.064 0.265 1.00 0.00 N ATOM 0 H LYS A 769 -8.007 -10.321 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 769 -7.703 -7.617 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -6.727 -10.196 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -6.258 -8.646 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 769 -9.147 -9.545 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -8.248 -9.704 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -7.901 -7.195 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -8.890 -7.074 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -9.841 -8.233 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -10.141 -6.590 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -12.057 -7.819 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -11.272 -7.596 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -11.179 -9.095 0.131 1.00 0.00 H new ATOM 1024 N LYS A 770 -5.074 -9.070 -3.668 1.00 0.00 N ATOM 1025 CA LYS A 770 -3.782 -8.790 -4.286 1.00 0.00 C ATOM 1026 C LYS A 770 -3.888 -7.683 -5.316 1.00 0.00 C ATOM 1027 O LYS A 770 -3.063 -6.782 -5.348 1.00 0.00 O ATOM 1028 CB LYS A 770 -3.156 -10.022 -4.940 1.00 0.00 C ATOM 1029 CG LYS A 770 -2.647 -11.074 -3.991 1.00 0.00 C ATOM 1030 CD LYS A 770 -1.957 -12.177 -4.766 1.00 0.00 C ATOM 1031 CE LYS A 770 -1.377 -13.229 -3.853 1.00 0.00 C ATOM 1032 NZ LYS A 770 -0.652 -14.254 -4.612 1.00 0.00 N ATOM 0 H LYS A 770 -5.406 -10.025 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 770 -3.132 -8.471 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 770 -3.897 -10.478 -5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 770 -2.329 -9.696 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 770 -1.952 -10.628 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 770 -3.474 -11.486 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 770 -2.669 -12.641 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 770 -1.162 -11.749 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 770 -0.703 -12.760 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 770 -2.177 -13.697 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 770 -0.265 -14.963 -3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 770 -1.302 -14.717 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 770 0.126 -13.810 -5.140 1.00 0.00 H new ATOM 1046 N ARG A 771 -4.923 -7.737 -6.128 1.00 0.00 N ATOM 1047 CA ARG A 771 -5.117 -6.753 -7.181 1.00 0.00 C ATOM 1048 C ARG A 771 -5.347 -5.369 -6.607 1.00 0.00 C ATOM 1049 O ARG A 771 -4.858 -4.378 -7.155 1.00 0.00 O ATOM 1050 CB ARG A 771 -6.263 -7.159 -8.113 1.00 0.00 C ATOM 1051 CG ARG A 771 -6.043 -8.504 -8.782 1.00 0.00 C ATOM 1052 CD ARG A 771 -4.782 -8.504 -9.632 1.00 0.00 C ATOM 1053 NE ARG A 771 -4.458 -9.840 -10.120 1.00 0.00 N ATOM 1054 CZ ARG A 771 -4.392 -10.199 -11.398 1.00 0.00 C ATOM 1055 NH1 ARG A 771 -4.796 -9.369 -12.360 1.00 0.00 N ATOM 1056 NH2 ARG A 771 -3.943 -11.411 -11.711 1.00 0.00 N ATOM 0 H ARG A 771 -5.647 -8.454 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 771 -4.201 -6.719 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 771 -7.192 -7.192 -7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 771 -6.387 -6.395 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 771 -5.971 -9.282 -8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 771 -6.903 -8.746 -9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 771 -4.914 -7.830 -10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 771 -3.948 -8.119 -9.045 1.00 0.00 H new ATOM 0 HE ARG A 771 -4.266 -10.559 -9.422 1.00 0.00 H new ATOM 0 HH11 ARG A 771 -5.160 -8.447 -12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 771 -4.741 -9.656 -13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 771 -3.654 -12.054 -10.974 1.00 0.00 H new ATOM 0 HH22 ARG A 771 -3.888 -11.698 -12.688 1.00 0.00 H new ATOM 1070 N ILE A 772 -6.054 -5.298 -5.498 1.00 0.00 N ATOM 1071 CA ILE A 772 -6.309 -4.019 -4.866 1.00 0.00 C ATOM 1072 C ILE A 772 -5.084 -3.511 -4.118 1.00 0.00 C ATOM 1073 O ILE A 772 -4.696 -2.360 -4.294 1.00 0.00 O ATOM 1074 CB ILE A 772 -7.522 -4.040 -3.915 1.00 0.00 C ATOM 1075 CG1 ILE A 772 -8.789 -4.421 -4.682 1.00 0.00 C ATOM 1076 CG2 ILE A 772 -7.705 -2.662 -3.244 1.00 0.00 C ATOM 1077 CD1 ILE A 772 -10.043 -4.307 -3.854 1.00 0.00 C ATOM 0 H ILE A 772 -6.459 -6.102 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 772 -6.544 -3.336 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 772 -7.341 -4.785 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 772 -8.881 -3.780 -5.559 1.00 0.00 H new ATOM 0 HG13 ILE A 772 -8.692 -5.445 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 772 -8.566 -2.694 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 772 -6.811 -2.414 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 772 -7.868 -1.903 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 772 -10.905 -4.592 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 772 -9.970 -4.969 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 772 -10.162 -3.278 -3.514 1.00 0.00 H new ATOM 1089 N ILE A 773 -4.460 -4.370 -3.307 1.00 0.00 N ATOM 1090 CA ILE A 773 -3.295 -3.960 -2.527 1.00 0.00 C ATOM 1091 C ILE A 773 -2.174 -3.485 -3.471 1.00 0.00 C ATOM 1092 O ILE A 773 -1.533 -2.476 -3.215 1.00 0.00 O ATOM 1093 CB ILE A 773 -2.803 -5.085 -1.531 1.00 0.00 C ATOM 1094 CG1 ILE A 773 -1.696 -4.595 -0.596 1.00 0.00 C ATOM 1095 CG2 ILE A 773 -2.339 -6.321 -2.252 1.00 0.00 C ATOM 1096 CD1 ILE A 773 -2.129 -3.503 0.352 1.00 0.00 C ATOM 0 H ILE A 773 -4.740 -5.342 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 773 -3.590 -3.123 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 773 -3.675 -5.339 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -1.325 -5.440 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -0.863 -4.231 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -2.011 -7.064 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -3.160 -6.728 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -1.509 -6.067 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -1.287 -3.211 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -2.472 -2.640 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -2.941 -3.868 0.981 1.00 0.00 H new ATOM 1108 N GLU A 774 -2.023 -4.181 -4.603 1.00 0.00 N ATOM 1109 CA GLU A 774 -1.066 -3.809 -5.633 1.00 0.00 C ATOM 1110 C GLU A 774 -1.445 -2.447 -6.206 1.00 0.00 C ATOM 1111 O GLU A 774 -0.632 -1.546 -6.235 1.00 0.00 O ATOM 1112 CB GLU A 774 -1.064 -4.862 -6.750 1.00 0.00 C ATOM 1113 CG GLU A 774 -0.097 -4.595 -7.894 1.00 0.00 C ATOM 1114 CD GLU A 774 1.353 -4.619 -7.470 1.00 0.00 C ATOM 1115 OE1 GLU A 774 1.851 -5.702 -7.085 1.00 0.00 O ATOM 1116 OE2 GLU A 774 2.041 -3.593 -7.589 1.00 0.00 O ATOM 0 H GLU A 774 -2.564 -5.017 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 774 -0.068 -3.755 -5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -0.825 -5.831 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -2.072 -4.937 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.253 -5.341 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -0.324 -3.623 -8.333 1.00 0.00 H new ATOM 1123 N LYS A 775 -2.719 -2.311 -6.594 1.00 0.00 N ATOM 1124 CA LYS A 775 -3.265 -1.082 -7.194 1.00 0.00 C ATOM 1125 C LYS A 775 -3.010 0.134 -6.316 1.00 0.00 C ATOM 1126 O LYS A 775 -2.542 1.165 -6.792 1.00 0.00 O ATOM 1127 CB LYS A 775 -4.782 -1.238 -7.407 1.00 0.00 C ATOM 1128 CG LYS A 775 -5.501 0.010 -7.919 1.00 0.00 C ATOM 1129 CD LYS A 775 -7.009 -0.218 -8.041 1.00 0.00 C ATOM 1130 CE LYS A 775 -7.360 -1.233 -9.128 1.00 0.00 C ATOM 1131 NZ LYS A 775 -7.024 -0.734 -10.477 1.00 0.00 N ATOM 0 H LYS A 775 -3.408 -3.057 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 775 -2.761 -0.928 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 775 -4.951 -2.051 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 775 -5.236 -1.537 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 775 -5.312 0.843 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 775 -5.095 0.291 -8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 775 -7.400 -0.565 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 775 -7.500 0.730 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 775 -6.825 -2.164 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 775 -8.425 -1.462 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 775 -7.428 -1.371 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 775 -7.417 0.221 -10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 775 -5.990 -0.700 -10.587 1.00 0.00 H new ATOM 1145 N VAL A 776 -3.301 -0.001 -5.046 1.00 0.00 N ATOM 1146 CA VAL A 776 -3.165 1.094 -4.114 1.00 0.00 C ATOM 1147 C VAL A 776 -1.692 1.487 -3.927 1.00 0.00 C ATOM 1148 O VAL A 776 -1.366 2.675 -3.950 1.00 0.00 O ATOM 1149 CB VAL A 776 -3.852 0.770 -2.764 1.00 0.00 C ATOM 1150 CG1 VAL A 776 -3.674 1.903 -1.754 1.00 0.00 C ATOM 1151 CG2 VAL A 776 -5.346 0.477 -2.981 1.00 0.00 C ATOM 0 H VAL A 776 -3.638 -0.869 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 776 -3.677 1.958 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 776 -3.371 -0.118 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 776 -4.170 1.639 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 776 -2.612 2.062 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 776 -4.114 2.818 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 776 -5.815 0.251 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 776 -5.827 1.349 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 776 -5.456 -0.377 -3.649 1.00 0.00 H new ATOM 1161 N ILE A 777 -0.807 0.495 -3.798 1.00 0.00 N ATOM 1162 CA ILE A 777 0.636 0.756 -3.664 1.00 0.00 C ATOM 1163 C ILE A 777 1.160 1.391 -4.954 1.00 0.00 C ATOM 1164 O ILE A 777 1.889 2.393 -4.924 1.00 0.00 O ATOM 1165 CB ILE A 777 1.436 -0.551 -3.375 1.00 0.00 C ATOM 1166 CG1 ILE A 777 0.982 -1.181 -2.053 1.00 0.00 C ATOM 1167 CG2 ILE A 777 2.946 -0.276 -3.343 1.00 0.00 C ATOM 1168 CD1 ILE A 777 1.594 -2.541 -1.779 1.00 0.00 C ATOM 0 H ILE A 777 -1.059 -0.493 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 777 0.776 1.432 -2.821 1.00 0.00 H new ATOM 0 HB ILE A 777 1.234 -1.254 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 777 1.236 -0.507 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 777 -0.104 -1.277 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 777 3.481 -1.204 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 777 3.264 0.122 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 777 3.167 0.449 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 777 1.225 -2.921 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 777 1.319 -3.231 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 777 2.679 -2.450 -1.737 1.00 0.00 H new ATOM 1180 N HIS A 778 0.752 0.810 -6.068 1.00 0.00 N ATOM 1181 CA HIS A 778 1.098 1.267 -7.404 1.00 0.00 C ATOM 1182 C HIS A 778 0.702 2.721 -7.580 1.00 0.00 C ATOM 1183 O HIS A 778 1.503 3.550 -7.991 1.00 0.00 O ATOM 1184 CB HIS A 778 0.379 0.379 -8.453 1.00 0.00 C ATOM 1185 CG HIS A 778 0.553 0.792 -9.887 1.00 0.00 C ATOM 1186 ND1 HIS A 778 1.654 0.492 -10.640 1.00 0.00 N ATOM 1187 CD2 HIS A 778 -0.277 1.497 -10.699 1.00 0.00 C ATOM 1188 CE1 HIS A 778 1.477 1.009 -11.858 1.00 0.00 C ATOM 1189 NE2 HIS A 778 0.313 1.632 -11.951 1.00 0.00 N ATOM 0 H HIS A 778 0.154 -0.016 -6.069 1.00 0.00 H new ATOM 0 HA HIS A 778 2.176 1.187 -7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 778 0.738 -0.644 -8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 778 -0.687 0.369 -8.224 1.00 0.00 H new ATOM 0 HD2 HIS A 778 -1.242 1.890 -10.417 1.00 0.00 H new ATOM 0 HE1 HIS A 778 2.192 0.929 -12.664 1.00 0.00 H new ATOM 0 HE2 HIS A 778 -0.070 2.109 -12.767 1.00 0.00 H new ATOM 1197 N ARG A 779 -0.510 3.031 -7.215 1.00 0.00 N ATOM 1198 CA ARG A 779 -1.030 4.365 -7.379 1.00 0.00 C ATOM 1199 C ARG A 779 -0.268 5.338 -6.482 1.00 0.00 C ATOM 1200 O ARG A 779 0.153 6.418 -6.922 1.00 0.00 O ATOM 1201 CB ARG A 779 -2.501 4.372 -7.038 1.00 0.00 C ATOM 1202 CG ARG A 779 -3.209 5.648 -7.372 1.00 0.00 C ATOM 1203 CD ARG A 779 -4.611 5.622 -6.838 1.00 0.00 C ATOM 1204 NE ARG A 779 -5.379 6.751 -7.313 1.00 0.00 N ATOM 1205 CZ ARG A 779 -6.348 7.345 -6.642 1.00 0.00 C ATOM 1206 NH1 ARG A 779 -6.542 7.088 -5.351 1.00 0.00 N ATOM 1207 NH2 ARG A 779 -7.090 8.255 -7.231 1.00 0.00 N ATOM 0 H ARG A 779 -1.166 2.371 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 779 -0.902 4.682 -8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 779 -2.988 3.552 -7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 779 -2.615 4.176 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 779 -2.667 6.494 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 779 -3.227 5.790 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 779 -5.099 4.695 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 779 -4.587 5.629 -5.748 1.00 0.00 H new ATOM 0 HE ARG A 779 -5.155 7.117 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 779 -5.938 6.424 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 779 -7.295 7.555 -4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 779 -6.917 8.502 -8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 779 -7.839 8.715 -6.714 1.00 0.00 H new ATOM 1221 N LEU A 780 -0.026 4.885 -5.265 1.00 0.00 N ATOM 1222 CA LEU A 780 0.646 5.633 -4.219 1.00 0.00 C ATOM 1223 C LEU A 780 2.052 6.092 -4.672 1.00 0.00 C ATOM 1224 O LEU A 780 2.436 7.245 -4.438 1.00 0.00 O ATOM 1225 CB LEU A 780 0.672 4.734 -2.946 1.00 0.00 C ATOM 1226 CG LEU A 780 1.218 5.277 -1.615 1.00 0.00 C ATOM 1227 CD1 LEU A 780 0.771 4.370 -0.481 1.00 0.00 C ATOM 1228 CD2 LEU A 780 2.711 5.282 -1.616 1.00 0.00 C ATOM 0 H LEU A 780 -0.303 3.950 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 780 0.110 6.554 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -0.351 4.406 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 780 1.252 3.845 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 780 0.842 6.292 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 780 1.157 4.752 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -0.318 4.343 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 780 1.153 3.363 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 780 3.074 5.670 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 780 3.078 4.265 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 780 3.072 5.914 -2.427 1.00 0.00 H new ATOM 1240 N THR A 781 2.794 5.213 -5.333 1.00 0.00 N ATOM 1241 CA THR A 781 4.137 5.551 -5.781 1.00 0.00 C ATOM 1242 C THR A 781 4.148 6.168 -7.200 1.00 0.00 C ATOM 1243 O THR A 781 4.962 7.038 -7.494 1.00 0.00 O ATOM 1244 CB THR A 781 5.132 4.325 -5.656 1.00 0.00 C ATOM 1245 OG1 THR A 781 6.478 4.671 -6.057 1.00 0.00 O ATOM 1246 CG2 THR A 781 4.666 3.136 -6.481 1.00 0.00 C ATOM 0 H THR A 781 2.491 4.268 -5.569 1.00 0.00 H new ATOM 0 HA THR A 781 4.503 6.324 -5.106 1.00 0.00 H new ATOM 0 HB THR A 781 5.137 4.053 -4.600 1.00 0.00 H new ATOM 0 HG1 THR A 781 6.823 5.375 -5.470 1.00 0.00 H new ATOM 0 HG21 THR A 781 5.375 2.315 -6.369 1.00 0.00 H new ATOM 0 HG22 THR A 781 3.683 2.816 -6.135 1.00 0.00 H new ATOM 0 HG23 THR A 781 4.606 3.423 -7.531 1.00 0.00 H new ATOM 1254 N HIS A 782 3.196 5.793 -8.044 1.00 0.00 N ATOM 1255 CA HIS A 782 3.224 6.259 -9.437 1.00 0.00 C ATOM 1256 C HIS A 782 2.484 7.557 -9.659 1.00 0.00 C ATOM 1257 O HIS A 782 3.072 8.537 -10.087 1.00 0.00 O ATOM 1258 CB HIS A 782 2.712 5.204 -10.443 1.00 0.00 C ATOM 1259 CG HIS A 782 3.632 4.045 -10.682 1.00 0.00 C ATOM 1260 ND1 HIS A 782 4.435 3.915 -11.797 1.00 0.00 N ATOM 1261 CD2 HIS A 782 3.834 2.928 -9.953 1.00 0.00 C ATOM 1262 CE1 HIS A 782 5.076 2.749 -11.708 1.00 0.00 C ATOM 1263 NE2 HIS A 782 4.747 2.110 -10.606 1.00 0.00 N ATOM 0 H HIS A 782 2.413 5.185 -7.805 1.00 0.00 H new ATOM 0 HA HIS A 782 4.283 6.436 -9.626 1.00 0.00 H new ATOM 0 HB2 HIS A 782 1.756 4.820 -10.086 1.00 0.00 H new ATOM 0 HB3 HIS A 782 2.521 5.698 -11.396 1.00 0.00 H new ATOM 0 HD2 HIS A 782 3.360 2.705 -9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 782 5.774 2.378 -12.444 1.00 0.00 H new ATOM 0 HE2 HIS A 782 5.091 1.202 -10.295 1.00 0.00 H new ATOM 1271 N TYR A 783 1.209 7.573 -9.363 1.00 0.00 N ATOM 1272 CA TYR A 783 0.374 8.711 -9.724 1.00 0.00 C ATOM 1273 C TYR A 783 0.299 9.722 -8.611 1.00 0.00 C ATOM 1274 O TYR A 783 0.290 10.922 -8.850 1.00 0.00 O ATOM 1275 CB TYR A 783 -1.034 8.245 -10.122 1.00 0.00 C ATOM 1276 CG TYR A 783 -1.032 7.202 -11.219 1.00 0.00 C ATOM 1277 CD1 TYR A 783 -0.703 7.535 -12.527 1.00 0.00 C ATOM 1278 CD2 TYR A 783 -1.326 5.878 -10.935 1.00 0.00 C ATOM 1279 CE1 TYR A 783 -0.676 6.575 -13.518 1.00 0.00 C ATOM 1280 CE2 TYR A 783 -1.296 4.912 -11.916 1.00 0.00 C ATOM 1281 CZ TYR A 783 -0.971 5.266 -13.206 1.00 0.00 C ATOM 1282 OH TYR A 783 -0.932 4.303 -14.189 1.00 0.00 O ATOM 0 H TYR A 783 0.721 6.821 -8.877 1.00 0.00 H new ATOM 0 HA TYR A 783 0.838 9.198 -10.582 1.00 0.00 H new ATOM 0 HB2 TYR A 783 -1.536 7.838 -9.244 1.00 0.00 H new ATOM 0 HB3 TYR A 783 -1.615 9.107 -10.451 1.00 0.00 H new ATOM 0 HD1 TYR A 783 -0.465 8.560 -12.772 1.00 0.00 H new ATOM 0 HD2 TYR A 783 -1.584 5.598 -9.924 1.00 0.00 H new ATOM 0 HE1 TYR A 783 -0.425 6.848 -14.532 1.00 0.00 H new ATOM 0 HE2 TYR A 783 -1.526 3.885 -11.675 1.00 0.00 H new ATOM 0 HH TYR A 783 -1.165 3.432 -13.804 1.00 0.00 H new ATOM 1292 N ASP A 784 0.259 9.239 -7.405 1.00 0.00 N ATOM 1293 CA ASP A 784 0.131 10.103 -6.254 1.00 0.00 C ATOM 1294 C ASP A 784 1.437 10.701 -5.817 1.00 0.00 C ATOM 1295 O ASP A 784 1.562 11.930 -5.743 1.00 0.00 O ATOM 1296 CB ASP A 784 -0.557 9.388 -5.098 1.00 0.00 C ATOM 1297 CG ASP A 784 -2.047 9.297 -5.311 1.00 0.00 C ATOM 1298 OD1 ASP A 784 -2.767 10.238 -4.917 1.00 0.00 O ATOM 1299 OD2 ASP A 784 -2.510 8.326 -5.920 1.00 0.00 O ATOM 0 H ASP A 784 0.313 8.245 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 784 -0.499 10.935 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 784 -0.142 8.386 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 784 -0.353 9.919 -4.168 1.00 0.00 H new ATOM 1304 N HIS A 785 2.413 9.839 -5.514 1.00 0.00 N ATOM 1305 CA HIS A 785 3.727 10.249 -5.014 1.00 0.00 C ATOM 1306 C HIS A 785 3.515 10.902 -3.646 1.00 0.00 C ATOM 1307 O HIS A 785 4.057 11.949 -3.318 1.00 0.00 O ATOM 1308 CB HIS A 785 4.475 11.190 -6.008 1.00 0.00 C ATOM 1309 CG HIS A 785 5.932 11.435 -5.670 1.00 0.00 C ATOM 1310 ND1 HIS A 785 6.394 12.529 -4.960 1.00 0.00 N ATOM 1311 CD2 HIS A 785 7.029 10.697 -5.967 1.00 0.00 C ATOM 1312 CE1 HIS A 785 7.723 12.420 -4.860 1.00 0.00 C ATOM 1313 NE2 HIS A 785 8.158 11.326 -5.453 1.00 0.00 N ATOM 0 H HIS A 785 2.311 8.829 -5.610 1.00 0.00 H new ATOM 0 HA HIS A 785 4.374 9.377 -4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 785 4.415 10.762 -7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 785 3.957 12.148 -6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 785 7.027 9.767 -6.516 1.00 0.00 H new ATOM 0 HE1 HIS A 785 8.358 13.136 -4.358 1.00 0.00 H new ATOM 0 HE2 HIS A 785 9.124 11.006 -5.521 1.00 0.00 H new ATOM 1321 N VAL A 786 2.671 10.267 -2.857 1.00 0.00 N ATOM 1322 CA VAL A 786 2.377 10.729 -1.503 1.00 0.00 C ATOM 1323 C VAL A 786 3.385 10.075 -0.536 1.00 0.00 C ATOM 1324 O VAL A 786 3.334 10.223 0.687 1.00 0.00 O ATOM 1325 CB VAL A 786 0.890 10.397 -1.113 1.00 0.00 C ATOM 1326 CG1 VAL A 786 0.630 8.899 -1.076 1.00 0.00 C ATOM 1327 CG2 VAL A 786 0.468 11.072 0.193 1.00 0.00 C ATOM 0 H VAL A 786 2.170 9.421 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 786 2.480 11.812 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 786 0.265 10.814 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 786 -0.409 8.717 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 786 0.827 8.471 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 786 1.286 8.434 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 786 -0.566 10.812 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 786 1.113 10.732 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 786 0.556 12.153 0.089 1.00 0.00 H new ATOM 1337 N LEU A 787 4.294 9.350 -1.126 1.00 0.00 N ATOM 1338 CA LEU A 787 5.325 8.683 -0.408 1.00 0.00 C ATOM 1339 C LEU A 787 6.633 9.420 -0.588 1.00 0.00 C ATOM 1340 O LEU A 787 6.747 10.329 -1.411 1.00 0.00 O ATOM 1341 CB LEU A 787 5.493 7.228 -0.894 1.00 0.00 C ATOM 1342 CG LEU A 787 6.324 6.969 -2.178 1.00 0.00 C ATOM 1343 CD1 LEU A 787 6.431 5.482 -2.433 1.00 0.00 C ATOM 1344 CD2 LEU A 787 5.735 7.669 -3.398 1.00 0.00 C ATOM 0 H LEU A 787 4.333 9.209 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 787 5.045 8.668 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 787 5.948 6.658 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 787 4.497 6.815 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 787 7.318 7.386 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 787 7.016 5.309 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 787 6.921 5.002 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 787 5.433 5.062 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 787 6.352 7.458 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 787 4.722 7.306 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 787 5.710 8.745 -3.223 1.00 0.00 H new ATOM 1356 N ILE A 788 7.587 9.015 0.164 1.00 0.00 N ATOM 1357 CA ILE A 788 8.900 9.516 0.103 1.00 0.00 C ATOM 1358 C ILE A 788 9.782 8.308 -0.196 1.00 0.00 C ATOM 1359 O ILE A 788 9.669 7.269 0.468 1.00 0.00 O ATOM 1360 CB ILE A 788 9.364 10.175 1.461 1.00 0.00 C ATOM 1361 CG1 ILE A 788 8.388 11.271 1.978 1.00 0.00 C ATOM 1362 CG2 ILE A 788 10.761 10.758 1.325 1.00 0.00 C ATOM 1363 CD1 ILE A 788 7.122 10.761 2.660 1.00 0.00 C ATOM 0 H ILE A 788 7.463 8.290 0.871 1.00 0.00 H new ATOM 0 HA ILE A 788 8.966 10.298 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 788 9.366 9.373 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 788 8.925 11.908 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 788 8.097 11.899 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 788 11.062 11.207 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 788 11.462 9.966 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 788 10.763 11.520 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 788 6.515 11.608 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 788 6.552 10.151 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 788 7.393 10.160 3.528 1.00 0.00 H new ATOM 1375 N GLU A 789 10.581 8.403 -1.210 1.00 0.00 N ATOM 1376 CA GLU A 789 11.473 7.333 -1.570 1.00 0.00 C ATOM 1377 C GLU A 789 12.804 7.923 -1.996 1.00 0.00 C ATOM 1378 O GLU A 789 12.848 9.045 -2.510 1.00 0.00 O ATOM 1379 CB GLU A 789 10.845 6.431 -2.654 1.00 0.00 C ATOM 1380 CG GLU A 789 10.371 7.170 -3.910 1.00 0.00 C ATOM 1381 CD GLU A 789 9.733 6.256 -4.940 1.00 0.00 C ATOM 1382 OE1 GLU A 789 10.472 5.560 -5.659 1.00 0.00 O ATOM 1383 OE2 GLU A 789 8.490 6.250 -5.091 1.00 0.00 O ATOM 0 H GLU A 789 10.638 9.222 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 789 11.649 6.689 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 789 11.576 5.677 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 789 9.997 5.901 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 789 9.653 7.938 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 789 11.220 7.681 -4.364 1.00 0.00 H new ATOM 1666 N TYR A 810 14.216 2.377 1.145 1.00 0.00 N ATOM 1667 CA TYR A 810 12.931 1.789 1.237 1.00 0.00 C ATOM 1668 C TYR A 810 11.917 2.845 0.941 1.00 0.00 C ATOM 1669 O TYR A 810 12.287 3.988 0.617 1.00 0.00 O ATOM 1670 CB TYR A 810 12.739 1.258 2.673 1.00 0.00 C ATOM 1671 CG TYR A 810 13.309 2.193 3.736 1.00 0.00 C ATOM 1672 CD1 TYR A 810 12.672 3.372 4.090 1.00 0.00 C ATOM 1673 CD2 TYR A 810 14.512 1.890 4.355 1.00 0.00 C ATOM 1674 CE1 TYR A 810 13.221 4.221 5.030 1.00 0.00 C ATOM 1675 CE2 TYR A 810 15.063 2.727 5.296 1.00 0.00 C ATOM 1676 CZ TYR A 810 14.416 3.889 5.630 1.00 0.00 C ATOM 1677 OH TYR A 810 14.973 4.731 6.551 1.00 0.00 O ATOM 0 HA TYR A 810 12.821 0.966 0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.676 1.109 2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 810 13.217 0.283 2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 810 11.733 3.630 3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 810 15.027 0.978 4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 810 12.717 5.139 5.293 1.00 0.00 H new ATOM 0 HE2 TYR A 810 15.999 2.471 5.769 1.00 0.00 H new ATOM 0 HH TYR A 810 14.637 4.507 7.444 1.00 0.00 H new ATOM 1687 N LEU A 811 10.684 2.493 1.066 1.00 0.00 N ATOM 1688 CA LEU A 811 9.621 3.415 0.861 1.00 0.00 C ATOM 1689 C LEU A 811 9.174 3.897 2.210 1.00 0.00 C ATOM 1690 O LEU A 811 9.317 3.191 3.199 1.00 0.00 O ATOM 1691 CB LEU A 811 8.439 2.734 0.163 1.00 0.00 C ATOM 1692 CG LEU A 811 8.723 2.052 -1.176 1.00 0.00 C ATOM 1693 CD1 LEU A 811 7.447 1.432 -1.725 1.00 0.00 C ATOM 1694 CD2 LEU A 811 9.311 3.036 -2.176 1.00 0.00 C ATOM 0 H LEU A 811 10.383 1.551 1.315 1.00 0.00 H new ATOM 0 HA LEU A 811 9.964 4.238 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 811 8.028 1.988 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 811 7.662 3.482 0.004 1.00 0.00 H new ATOM 0 HG LEU A 811 9.457 1.263 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 811 7.659 0.949 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 811 7.069 0.692 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 811 6.698 2.210 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 811 9.503 2.525 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 811 8.606 3.851 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 811 10.245 3.438 -1.784 1.00 0.00 H new ATOM 1706 N VAL A 812 8.705 5.080 2.262 1.00 0.00 N ATOM 1707 CA VAL A 812 8.119 5.627 3.453 1.00 0.00 C ATOM 1708 C VAL A 812 6.991 6.542 3.023 1.00 0.00 C ATOM 1709 O VAL A 812 7.116 7.225 2.036 1.00 0.00 O ATOM 1710 CB VAL A 812 9.206 6.321 4.390 1.00 0.00 C ATOM 1711 CG1 VAL A 812 10.328 6.961 3.598 1.00 0.00 C ATOM 1712 CG2 VAL A 812 8.597 7.356 5.321 1.00 0.00 C ATOM 0 H VAL A 812 8.710 5.722 1.470 1.00 0.00 H new ATOM 0 HA VAL A 812 7.706 4.839 4.082 1.00 0.00 H new ATOM 0 HB VAL A 812 9.620 5.512 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 812 11.041 7.419 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 812 10.834 6.200 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 812 9.917 7.724 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 812 9.381 7.798 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 812 8.115 8.136 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 812 7.858 6.877 5.963 1.00 0.00 H new ATOM 1722 N VAL A 813 5.881 6.495 3.698 1.00 0.00 N ATOM 1723 CA VAL A 813 4.730 7.275 3.287 1.00 0.00 C ATOM 1724 C VAL A 813 4.194 8.093 4.461 1.00 0.00 C ATOM 1725 O VAL A 813 4.572 7.852 5.603 1.00 0.00 O ATOM 1726 CB VAL A 813 3.624 6.358 2.615 1.00 0.00 C ATOM 1727 CG1 VAL A 813 3.025 5.357 3.583 1.00 0.00 C ATOM 1728 CG2 VAL A 813 2.533 7.162 1.909 1.00 0.00 C ATOM 0 H VAL A 813 5.739 5.929 4.535 1.00 0.00 H new ATOM 0 HA VAL A 813 5.041 7.984 2.520 1.00 0.00 H new ATOM 0 HB VAL A 813 4.150 5.790 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 813 2.275 4.757 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 813 3.811 4.705 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 813 2.558 5.888 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 813 1.806 6.480 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 813 2.034 7.809 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 813 2.981 7.771 1.124 1.00 0.00 H new ATOM 1738 N ASN A 814 3.376 9.075 4.167 1.00 0.00 N ATOM 1739 CA ASN A 814 2.719 9.875 5.186 1.00 0.00 C ATOM 1740 C ASN A 814 1.553 9.074 5.766 1.00 0.00 C ATOM 1741 O ASN A 814 0.874 8.361 5.024 1.00 0.00 O ATOM 1742 CB ASN A 814 2.178 11.168 4.564 1.00 0.00 C ATOM 1743 CG ASN A 814 1.665 12.160 5.578 1.00 0.00 C ATOM 1744 OD1 ASN A 814 0.492 12.166 5.919 1.00 0.00 O ATOM 1745 ND2 ASN A 814 2.529 12.999 6.062 1.00 0.00 N ATOM 0 H ASN A 814 3.143 9.347 3.212 1.00 0.00 H new ATOM 0 HA ASN A 814 3.434 10.124 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 814 2.968 11.637 3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 814 1.373 10.919 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 814 2.236 13.692 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 814 3.501 12.965 5.754 1.00 0.00 H new ATOM 1752 N PRO A 815 1.305 9.166 7.090 1.00 0.00 N ATOM 1753 CA PRO A 815 0.196 8.455 7.741 1.00 0.00 C ATOM 1754 C PRO A 815 -1.178 8.919 7.248 1.00 0.00 C ATOM 1755 O PRO A 815 -2.178 8.198 7.373 1.00 0.00 O ATOM 1756 CB PRO A 815 0.360 8.800 9.234 1.00 0.00 C ATOM 1757 CG PRO A 815 1.211 10.024 9.256 1.00 0.00 C ATOM 1758 CD PRO A 815 2.112 9.923 8.066 1.00 0.00 C ATOM 0 HA PRO A 815 0.234 7.387 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 815 -0.606 8.982 9.705 1.00 0.00 H new ATOM 0 HB3 PRO A 815 0.831 7.982 9.779 1.00 0.00 H new ATOM 0 HG2 PRO A 815 0.599 10.925 9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 815 1.789 10.081 10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 815 2.386 10.907 7.684 1.00 0.00 H new ATOM 0 HD3 PRO A 815 3.040 9.405 8.308 1.00 0.00 H new ATOM 1766 N ASN A 816 -1.232 10.095 6.657 1.00 0.00 N ATOM 1767 CA ASN A 816 -2.493 10.627 6.224 1.00 0.00 C ATOM 1768 C ASN A 816 -2.652 10.443 4.735 1.00 0.00 C ATOM 1769 O ASN A 816 -2.294 11.308 3.924 1.00 0.00 O ATOM 1770 CB ASN A 816 -2.676 12.085 6.660 1.00 0.00 C ATOM 1771 CG ASN A 816 -4.072 12.621 6.404 1.00 0.00 C ATOM 1772 OD1 ASN A 816 -4.358 13.213 5.353 1.00 0.00 O ATOM 1773 ND2 ASN A 816 -4.948 12.427 7.362 1.00 0.00 N ATOM 0 H ASN A 816 -0.424 10.689 6.470 1.00 0.00 H new ATOM 0 HA ASN A 816 -3.290 10.067 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 816 -2.452 12.169 7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 816 -1.954 12.708 6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 816 -5.903 12.768 7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 816 -4.673 11.935 8.212 1.00 0.00 H new ATOM 1780 N TYR A 817 -3.085 9.264 4.384 1.00 0.00 N ATOM 1781 CA TYR A 817 -3.320 8.897 3.017 1.00 0.00 C ATOM 1782 C TYR A 817 -4.652 9.492 2.583 1.00 0.00 C ATOM 1783 O TYR A 817 -5.640 9.451 3.333 1.00 0.00 O ATOM 1784 CB TYR A 817 -3.320 7.361 2.887 1.00 0.00 C ATOM 1785 CG TYR A 817 -3.342 6.829 1.461 1.00 0.00 C ATOM 1786 CD1 TYR A 817 -2.166 6.728 0.725 1.00 0.00 C ATOM 1787 CD2 TYR A 817 -4.524 6.417 0.864 1.00 0.00 C ATOM 1788 CE1 TYR A 817 -2.169 6.238 -0.570 1.00 0.00 C ATOM 1789 CE2 TYR A 817 -4.538 5.922 -0.429 1.00 0.00 C ATOM 1790 CZ TYR A 817 -3.361 5.833 -1.143 1.00 0.00 C ATOM 1791 OH TYR A 817 -3.377 5.336 -2.435 1.00 0.00 O ATOM 0 H TYR A 817 -3.288 8.520 5.051 1.00 0.00 H new ATOM 0 HA TYR A 817 -2.532 9.284 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 817 -2.435 6.970 3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 817 -4.187 6.968 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 817 -1.233 7.038 1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 817 -5.449 6.483 1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 817 -1.247 6.172 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 817 -5.468 5.606 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 817 -4.295 5.097 -2.682 1.00 0.00 H new